USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 175:sc= -5.17! USER MOD Set 1.2: A 23 GLN : amide:sc= -8.47! C(o=-14!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.829 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.67) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -13:sc= -1.29 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 33 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.37) USER MOD Single : A 34 GLN : amide:sc= -4.02! C(o=-4!,f=-8.3!) USER MOD Single : A 36 TYR OH : rot 140:sc= -2.9! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc=-0.00109 X(o=-0.0011,f=-0.0037) USER MOD Single : A 46 THR OG1 : rot 23:sc= -7.59! USER MOD Single : A 47 SER OG : rot 86:sc= 0.157 USER MOD Single : A 52 THR OG1 : rot -170:sc= -6.46! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.608 F(o=-2.1!,f=-0.61) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.13) USER MOD Single : A 62 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.63) USER MOD Single : A 63 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.72) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 50:sc= -3.21! USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -1.28 (180deg=-1.94) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.198 F(o=-0.73,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.219) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.196 19.429 8.799 1.00 0.00 N ATOM 2 CA GLY A 1 -10.039 19.028 7.883 1.00 0.00 C ATOM 3 C GLY A 1 -8.668 18.891 8.453 1.00 0.00 C ATOM 4 O GLY A 1 -8.464 19.023 9.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.075 19.479 8.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.302 18.722 9.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.999 20.359 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.300 18.074 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.987 19.763 7.080 1.00 0.00 H new ATOM 10 N SER A 2 -7.695 18.621 7.627 1.00 0.00 N ATOM 11 CA SER A 2 -6.302 18.473 8.136 1.00 0.00 C ATOM 12 C SER A 2 -5.580 19.819 8.047 1.00 0.00 C ATOM 13 O SER A 2 -4.511 19.924 7.480 1.00 0.00 O ATOM 14 CB SER A 2 -5.560 17.437 7.292 1.00 0.00 C ATOM 15 OG SER A 2 -4.218 17.333 7.749 1.00 0.00 O ATOM 0 H SER A 2 -7.804 18.496 6.621 1.00 0.00 H new ATOM 0 HA SER A 2 -6.327 18.144 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.057 16.469 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.577 17.727 6.241 1.00 0.00 H new ATOM 0 HG SER A 2 -3.781 18.208 7.684 1.00 0.00 H new ATOM 21 N HIS A 3 -6.157 20.851 8.602 1.00 0.00 N ATOM 22 CA HIS A 3 -5.503 22.190 8.547 1.00 0.00 C ATOM 23 C HIS A 3 -4.167 22.136 9.291 1.00 0.00 C ATOM 24 O HIS A 3 -3.546 23.149 9.546 1.00 0.00 O ATOM 25 CB HIS A 3 -6.413 23.229 9.207 1.00 0.00 C ATOM 26 CG HIS A 3 -6.922 24.189 8.166 1.00 0.00 C ATOM 27 ND1 HIS A 3 -6.628 25.542 8.204 1.00 0.00 N ATOM 28 CD2 HIS A 3 -7.703 24.005 7.052 1.00 0.00 C ATOM 29 CE1 HIS A 3 -7.225 26.117 7.143 1.00 0.00 C ATOM 30 NE2 HIS A 3 -7.893 25.225 6.408 1.00 0.00 N ATOM 0 H HIS A 3 -7.052 20.825 9.091 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.329 22.467 7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.250 22.734 9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.864 23.770 9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.108 23.059 6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.170 27.171 6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.428 25.400 5.557 1.00 0.00 H new ATOM 38 N MET A 4 -3.720 20.961 9.640 1.00 0.00 N ATOM 39 CA MET A 4 -2.425 20.845 10.367 1.00 0.00 C ATOM 40 C MET A 4 -1.320 21.510 9.547 1.00 0.00 C ATOM 41 O MET A 4 -1.266 21.383 8.340 1.00 0.00 O ATOM 42 CB MET A 4 -2.088 19.367 10.573 1.00 0.00 C ATOM 43 CG MET A 4 -3.304 18.642 11.152 1.00 0.00 C ATOM 44 SD MET A 4 -2.998 16.858 11.153 1.00 0.00 S ATOM 45 CE MET A 4 -4.276 16.412 12.354 1.00 0.00 C ATOM 0 H MET A 4 -4.195 20.078 9.453 1.00 0.00 H new ATOM 0 HA MET A 4 -2.506 21.338 11.336 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.798 18.914 9.625 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.237 19.268 11.247 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.499 18.989 12.167 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.192 18.869 10.562 1.00 0.00 H new ATOM 0 HE1 MET A 4 -4.267 15.333 12.511 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.079 16.918 13.299 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.252 16.716 11.976 1.00 0.00 H new ATOM 55 N SER A 5 -0.435 22.220 10.193 1.00 0.00 N ATOM 56 CA SER A 5 0.666 22.892 9.449 1.00 0.00 C ATOM 57 C SER A 5 1.940 22.870 10.296 1.00 0.00 C ATOM 58 O SER A 5 1.894 22.727 11.502 1.00 0.00 O ATOM 59 CB SER A 5 0.276 24.340 9.154 1.00 0.00 C ATOM 60 OG SER A 5 -0.382 24.890 10.289 1.00 0.00 O ATOM 0 H SER A 5 -0.428 22.363 11.203 1.00 0.00 H new ATOM 0 HA SER A 5 0.843 22.366 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.163 24.926 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.379 24.382 8.284 1.00 0.00 H new ATOM 0 HG SER A 5 -0.632 25.819 10.104 1.00 0.00 H new ATOM 66 N ASP A 6 3.076 23.012 9.674 1.00 0.00 N ATOM 67 CA ASP A 6 4.355 23.000 10.437 1.00 0.00 C ATOM 68 C ASP A 6 5.521 23.165 9.462 1.00 0.00 C ATOM 69 O ASP A 6 5.333 23.249 8.264 1.00 0.00 O ATOM 70 CB ASP A 6 4.495 21.667 11.179 1.00 0.00 C ATOM 71 CG ASP A 6 4.055 21.837 12.636 1.00 0.00 C ATOM 72 OD1 ASP A 6 3.550 22.898 12.965 1.00 0.00 O ATOM 73 OD2 ASP A 6 4.233 20.902 13.399 1.00 0.00 O ATOM 0 H ASP A 6 3.175 23.136 8.666 1.00 0.00 H new ATOM 0 HA ASP A 6 4.360 23.817 11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.888 20.904 10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.529 21.325 11.139 1.00 0.00 H new ATOM 78 N GLY A 7 6.725 23.212 9.962 1.00 0.00 N ATOM 79 CA GLY A 7 7.899 23.372 9.058 1.00 0.00 C ATOM 80 C GLY A 7 7.977 22.176 8.108 1.00 0.00 C ATOM 81 O GLY A 7 7.351 22.156 7.066 1.00 0.00 O ATOM 0 H GLY A 7 6.947 23.147 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.810 24.297 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.815 23.445 9.644 1.00 0.00 H new ATOM 85 N LEU A 8 8.738 21.176 8.459 1.00 0.00 N ATOM 86 CA LEU A 8 8.854 19.981 7.577 1.00 0.00 C ATOM 87 C LEU A 8 8.243 18.770 8.289 1.00 0.00 C ATOM 88 O LEU A 8 8.897 18.120 9.079 1.00 0.00 O ATOM 89 CB LEU A 8 10.330 19.704 7.272 1.00 0.00 C ATOM 90 CG LEU A 8 11.200 20.834 7.832 1.00 0.00 C ATOM 91 CD1 LEU A 8 10.706 22.181 7.293 1.00 0.00 C ATOM 92 CD2 LEU A 8 11.119 20.831 9.361 1.00 0.00 C ATOM 0 H LEU A 8 9.285 21.135 9.319 1.00 0.00 H new ATOM 0 HA LEU A 8 8.324 20.165 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.628 18.752 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.478 19.619 6.195 1.00 0.00 H new ATOM 0 HG LEU A 8 12.234 20.681 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.327 22.983 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.768 22.182 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.671 22.337 7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.738 21.635 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.085 20.981 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.477 19.875 9.742 1.00 0.00 H new ATOM 104 N PRO A 9 6.999 18.514 7.987 1.00 0.00 N ATOM 105 CA PRO A 9 6.328 17.366 8.635 1.00 0.00 C ATOM 106 C PRO A 9 6.865 16.047 8.072 1.00 0.00 C ATOM 107 O PRO A 9 7.373 15.214 8.796 1.00 0.00 O ATOM 108 CB PRO A 9 4.837 17.520 8.312 1.00 0.00 C ATOM 109 CG PRO A 9 4.674 18.796 7.459 1.00 0.00 C ATOM 110 CD PRO A 9 6.070 19.395 7.247 1.00 0.00 C ATOM 0 HA PRO A 9 6.506 17.350 9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.470 16.648 7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.252 17.595 9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.210 18.560 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.023 19.511 7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.324 19.431 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.118 20.418 7.621 1.00 0.00 H new ATOM 118 N ASN A 10 6.754 15.848 6.787 1.00 0.00 N ATOM 119 CA ASN A 10 7.259 14.577 6.190 1.00 0.00 C ATOM 120 C ASN A 10 7.788 14.841 4.779 1.00 0.00 C ATOM 121 O ASN A 10 7.941 13.933 3.986 1.00 0.00 O ATOM 122 CB ASN A 10 6.118 13.560 6.122 1.00 0.00 C ATOM 123 CG ASN A 10 6.155 12.668 7.364 1.00 0.00 C ATOM 124 OD1 ASN A 10 7.202 12.187 7.748 1.00 0.00 O ATOM 125 ND2 ASN A 10 5.049 12.426 8.012 1.00 0.00 N ATOM 0 H ASN A 10 6.338 16.506 6.127 1.00 0.00 H new ATOM 0 HA ASN A 10 8.066 14.184 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.160 14.076 6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.211 12.952 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.063 11.833 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.170 12.830 7.689 1.00 0.00 H new ATOM 132 N LYS A 11 8.071 16.072 4.455 1.00 0.00 N ATOM 133 CA LYS A 11 8.592 16.376 3.093 1.00 0.00 C ATOM 134 C LYS A 11 9.599 15.298 2.684 1.00 0.00 C ATOM 135 O LYS A 11 9.910 15.135 1.522 1.00 0.00 O ATOM 136 CB LYS A 11 9.281 17.743 3.101 1.00 0.00 C ATOM 137 CG LYS A 11 9.400 18.263 1.666 1.00 0.00 C ATOM 138 CD LYS A 11 8.015 18.649 1.145 1.00 0.00 C ATOM 139 CE LYS A 11 8.135 19.868 0.226 1.00 0.00 C ATOM 140 NZ LYS A 11 6.844 20.080 -0.489 1.00 0.00 N ATOM 0 H LYS A 11 7.965 16.878 5.071 1.00 0.00 H new ATOM 0 HA LYS A 11 7.766 16.393 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.710 18.446 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.270 17.661 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.065 19.126 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.840 17.498 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.573 17.813 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.351 18.874 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.390 20.753 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.941 19.717 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.925 20.908 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.620 19.238 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.086 20.242 0.204 1.00 0.00 H new ATOM 154 N LYS A 12 10.108 14.560 3.633 1.00 0.00 N ATOM 155 CA LYS A 12 11.094 13.493 3.302 1.00 0.00 C ATOM 156 C LYS A 12 10.364 12.285 2.707 1.00 0.00 C ATOM 157 O LYS A 12 9.463 11.735 3.307 1.00 0.00 O ATOM 158 CB LYS A 12 11.829 13.065 4.576 1.00 0.00 C ATOM 159 CG LYS A 12 13.115 13.883 4.722 1.00 0.00 C ATOM 160 CD LYS A 12 13.544 13.903 6.191 1.00 0.00 C ATOM 161 CE LYS A 12 14.557 15.029 6.411 1.00 0.00 C ATOM 162 NZ LYS A 12 15.169 14.894 7.764 1.00 0.00 N ATOM 0 H LYS A 12 9.883 14.650 4.624 1.00 0.00 H new ATOM 0 HA LYS A 12 11.812 13.877 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.189 13.215 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.065 12.002 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.905 13.451 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.954 14.900 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.675 14.050 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.984 12.944 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.331 14.990 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.065 15.997 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.857 15.660 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.425 14.952 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.652 13.976 7.836 1.00 0.00 H new ATOM 176 N ARG A 13 10.751 11.867 1.532 1.00 0.00 N ATOM 177 CA ARG A 13 10.085 10.694 0.898 1.00 0.00 C ATOM 178 C ARG A 13 11.119 9.901 0.095 1.00 0.00 C ATOM 179 O ARG A 13 11.204 10.013 -1.111 1.00 0.00 O ATOM 180 CB ARG A 13 8.969 11.180 -0.032 1.00 0.00 C ATOM 181 CG ARG A 13 7.696 10.374 0.235 1.00 0.00 C ATOM 182 CD ARG A 13 7.870 8.950 -0.299 1.00 0.00 C ATOM 183 NE ARG A 13 6.721 8.110 0.142 1.00 0.00 N ATOM 184 CZ ARG A 13 6.498 6.957 -0.429 1.00 0.00 C ATOM 185 NH1 ARG A 13 7.281 6.539 -1.385 1.00 0.00 N ATOM 186 NH2 ARG A 13 5.491 6.222 -0.043 1.00 0.00 N ATOM 0 H ARG A 13 11.501 12.288 0.983 1.00 0.00 H new ATOM 0 HA ARG A 13 9.655 10.054 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.781 12.241 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.273 11.066 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.486 10.349 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.843 10.852 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.928 8.963 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.806 8.525 0.065 1.00 0.00 H new ATOM 0 HE ARG A 13 6.109 8.436 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.068 7.113 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.106 5.638 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.878 6.548 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.317 5.321 -0.489 1.00 0.00 H new ATOM 200 N LYS A 14 11.912 9.102 0.757 1.00 0.00 N ATOM 201 CA LYS A 14 12.944 8.306 0.033 1.00 0.00 C ATOM 202 C LYS A 14 12.370 6.936 -0.336 1.00 0.00 C ATOM 203 O LYS A 14 12.167 6.631 -1.494 1.00 0.00 O ATOM 204 CB LYS A 14 14.169 8.122 0.932 1.00 0.00 C ATOM 205 CG LYS A 14 13.820 8.526 2.367 1.00 0.00 C ATOM 206 CD LYS A 14 15.078 8.464 3.236 1.00 0.00 C ATOM 207 CE LYS A 14 14.686 8.157 4.683 1.00 0.00 C ATOM 208 NZ LYS A 14 15.547 8.946 5.608 1.00 0.00 N ATOM 0 H LYS A 14 11.890 8.966 1.768 1.00 0.00 H new ATOM 0 HA LYS A 14 13.236 8.832 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.499 7.083 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.997 8.728 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.405 9.534 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.055 7.860 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.754 7.696 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.614 9.412 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.637 8.403 4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.799 7.092 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.281 8.738 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.544 8.691 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.418 9.961 5.422 1.00 0.00 H new ATOM 222 N ARG A 15 12.118 6.107 0.641 1.00 0.00 N ATOM 223 CA ARG A 15 11.564 4.754 0.356 1.00 0.00 C ATOM 224 C ARG A 15 10.665 4.806 -0.881 1.00 0.00 C ATOM 225 O ARG A 15 9.473 5.018 -0.783 1.00 0.00 O ATOM 226 CB ARG A 15 10.744 4.276 1.556 1.00 0.00 C ATOM 227 CG ARG A 15 11.660 4.110 2.768 1.00 0.00 C ATOM 228 CD ARG A 15 10.818 4.102 4.046 1.00 0.00 C ATOM 229 NE ARG A 15 9.689 3.142 3.889 1.00 0.00 N ATOM 230 CZ ARG A 15 9.016 2.749 4.936 1.00 0.00 C ATOM 231 NH1 ARG A 15 9.332 3.197 6.121 1.00 0.00 N ATOM 232 NH2 ARG A 15 8.028 1.909 4.799 1.00 0.00 N ATOM 0 H ARG A 15 12.273 6.311 1.628 1.00 0.00 H new ATOM 0 HA ARG A 15 12.388 4.064 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.955 4.994 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.257 3.329 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.225 3.181 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.386 4.923 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.435 3.819 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.434 5.102 4.248 1.00 0.00 H new ATOM 0 HE ARG A 15 9.442 2.792 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.105 3.854 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.806 2.890 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.781 1.559 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.502 1.602 5.617 1.00 0.00 H new ATOM 246 N ARG A 16 11.223 4.610 -2.045 1.00 0.00 N ATOM 247 CA ARG A 16 10.400 4.646 -3.281 1.00 0.00 C ATOM 248 C ARG A 16 9.363 3.517 -3.235 1.00 0.00 C ATOM 249 O ARG A 16 9.272 2.788 -2.267 1.00 0.00 O ATOM 250 CB ARG A 16 11.319 4.483 -4.498 1.00 0.00 C ATOM 251 CG ARG A 16 11.276 3.041 -5.013 1.00 0.00 C ATOM 252 CD ARG A 16 12.463 2.801 -5.947 1.00 0.00 C ATOM 253 NE ARG A 16 12.784 4.062 -6.671 1.00 0.00 N ATOM 254 CZ ARG A 16 13.924 4.186 -7.293 1.00 0.00 C ATOM 255 NH1 ARG A 16 14.784 3.206 -7.281 1.00 0.00 N ATOM 256 NH2 ARG A 16 14.205 5.293 -7.927 1.00 0.00 N ATOM 0 H ARG A 16 12.216 4.426 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 16 9.876 5.599 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.010 5.167 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.341 4.749 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.310 2.343 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.340 2.859 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.328 2.466 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.226 2.010 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 16 12.112 4.829 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.566 2.342 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.675 3.304 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.533 6.060 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.096 5.390 -8.413 1.00 0.00 H new ATOM 270 N VAL A 17 8.580 3.370 -4.268 1.00 0.00 N ATOM 271 CA VAL A 17 7.551 2.291 -4.277 1.00 0.00 C ATOM 272 C VAL A 17 8.197 0.961 -4.674 1.00 0.00 C ATOM 273 O VAL A 17 9.296 0.924 -5.191 1.00 0.00 O ATOM 274 CB VAL A 17 6.453 2.647 -5.281 1.00 0.00 C ATOM 275 CG1 VAL A 17 7.004 2.536 -6.704 1.00 0.00 C ATOM 276 CG2 VAL A 17 5.278 1.680 -5.113 1.00 0.00 C ATOM 0 H VAL A 17 8.608 3.950 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 17 7.119 2.195 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 17 6.115 3.668 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.221 2.790 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.842 3.223 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.343 1.516 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.494 1.932 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.618 0.660 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.884 1.759 -4.100 1.00 0.00 H new ATOM 286 N LEU A 18 7.521 -0.132 -4.434 1.00 0.00 N ATOM 287 CA LEU A 18 8.093 -1.462 -4.795 1.00 0.00 C ATOM 288 C LEU A 18 7.171 -2.575 -4.302 1.00 0.00 C ATOM 289 O LEU A 18 7.519 -3.739 -4.334 1.00 0.00 O ATOM 290 CB LEU A 18 9.465 -1.641 -4.145 1.00 0.00 C ATOM 291 CG LEU A 18 9.425 -1.161 -2.693 1.00 0.00 C ATOM 292 CD1 LEU A 18 9.495 -2.369 -1.758 1.00 0.00 C ATOM 293 CD2 LEU A 18 10.623 -0.248 -2.431 1.00 0.00 C ATOM 0 H LEU A 18 6.597 -0.161 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 18 8.191 -1.512 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.759 -2.690 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.216 -1.080 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 18 8.500 -0.613 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.467 -2.030 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.646 -3.026 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.422 -2.914 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.599 0.097 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.546 -0.800 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.579 0.611 -3.101 1.00 0.00 H new ATOM 305 N PHE A 19 6.004 -2.237 -3.836 1.00 0.00 N ATOM 306 CA PHE A 19 5.082 -3.291 -3.335 1.00 0.00 C ATOM 307 C PHE A 19 4.679 -4.217 -4.486 1.00 0.00 C ATOM 308 O PHE A 19 4.590 -3.804 -5.624 1.00 0.00 O ATOM 309 CB PHE A 19 3.822 -2.646 -2.751 1.00 0.00 C ATOM 310 CG PHE A 19 4.182 -1.785 -1.564 1.00 0.00 C ATOM 311 CD1 PHE A 19 4.873 -2.339 -0.479 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.818 -0.433 -1.545 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.201 -1.539 0.624 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.145 0.366 -0.443 1.00 0.00 C ATOM 315 CZ PHE A 19 4.837 -0.187 0.641 1.00 0.00 C ATOM 0 H PHE A 19 5.650 -1.282 -3.780 1.00 0.00 H new ATOM 0 HA PHE A 19 5.592 -3.865 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.327 -2.042 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.115 -3.419 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.153 -3.382 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.284 -0.006 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.734 -1.965 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.864 1.409 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.090 0.429 1.491 1.00 0.00 H new ATOM 325 N THR A 20 4.419 -5.462 -4.192 1.00 0.00 N ATOM 326 CA THR A 20 4.002 -6.408 -5.267 1.00 0.00 C ATOM 327 C THR A 20 2.684 -5.895 -5.880 1.00 0.00 C ATOM 328 O THR A 20 1.723 -5.713 -5.158 1.00 0.00 O ATOM 329 CB THR A 20 3.761 -7.787 -4.654 1.00 0.00 C ATOM 330 OG1 THR A 20 2.653 -7.724 -3.771 1.00 0.00 O ATOM 331 CG2 THR A 20 5.007 -8.229 -3.889 1.00 0.00 C ATOM 0 H THR A 20 4.477 -5.865 -3.257 1.00 0.00 H new ATOM 0 HA THR A 20 4.776 -6.476 -6.032 1.00 0.00 H new ATOM 0 HB THR A 20 3.551 -8.507 -5.445 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.447 -8.623 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.836 -9.213 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.855 -8.278 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.221 -7.512 -3.097 1.00 0.00 H new ATOM 339 N LYS A 21 2.584 -5.654 -7.180 1.00 0.00 N ATOM 340 CA LYS A 21 1.281 -5.173 -7.710 1.00 0.00 C ATOM 341 C LYS A 21 0.188 -5.990 -7.034 1.00 0.00 C ATOM 342 O LYS A 21 -0.964 -5.612 -6.994 1.00 0.00 O ATOM 343 CB LYS A 21 1.225 -5.376 -9.228 1.00 0.00 C ATOM 344 CG LYS A 21 1.448 -6.855 -9.557 1.00 0.00 C ATOM 345 CD LYS A 21 2.912 -7.080 -9.943 1.00 0.00 C ATOM 346 CE LYS A 21 3.122 -6.744 -11.423 1.00 0.00 C ATOM 347 NZ LYS A 21 3.499 -7.981 -12.164 1.00 0.00 N ATOM 0 H LYS A 21 3.330 -5.769 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 21 1.150 -4.110 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.259 -5.049 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.986 -4.766 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.189 -7.472 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.795 -7.158 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.559 -6.458 -9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.191 -8.117 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.211 -6.319 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.903 -5.991 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.642 -7.754 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.379 -8.368 -11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.739 -8.685 -12.073 1.00 0.00 H new ATOM 361 N ALA A 22 0.574 -7.106 -6.479 1.00 0.00 N ATOM 362 CA ALA A 22 -0.387 -7.983 -5.764 1.00 0.00 C ATOM 363 C ALA A 22 -0.771 -7.313 -4.446 1.00 0.00 C ATOM 364 O ALA A 22 -1.911 -6.967 -4.218 1.00 0.00 O ATOM 365 CB ALA A 22 0.304 -9.314 -5.476 1.00 0.00 C ATOM 0 H ALA A 22 1.534 -7.451 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.281 -8.149 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.385 -9.975 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.606 -9.778 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.184 -9.141 -4.857 1.00 0.00 H new ATOM 371 N GLN A 23 0.179 -7.104 -3.578 1.00 0.00 N ATOM 372 CA GLN A 23 -0.144 -6.424 -2.297 1.00 0.00 C ATOM 373 C GLN A 23 -0.934 -5.172 -2.642 1.00 0.00 C ATOM 374 O GLN A 23 -2.149 -5.150 -2.620 1.00 0.00 O ATOM 375 CB GLN A 23 1.149 -5.995 -1.610 1.00 0.00 C ATOM 376 CG GLN A 23 1.980 -7.228 -1.241 1.00 0.00 C ATOM 377 CD GLN A 23 3.465 -6.936 -1.474 1.00 0.00 C ATOM 378 OE1 GLN A 23 3.822 -5.878 -1.951 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.352 -7.837 -1.152 1.00 0.00 N ATOM 0 H GLN A 23 1.156 -7.372 -3.700 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.704 -7.089 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.722 -5.344 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.920 -5.419 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.811 -7.494 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.668 -8.082 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.053 -8.726 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.344 -7.652 -1.301 1.00 0.00 H new ATOM 388 N THR A 24 -0.224 -4.139 -2.992 1.00 0.00 N ATOM 389 CA THR A 24 -0.861 -2.867 -3.390 1.00 0.00 C ATOM 390 C THR A 24 -2.224 -3.140 -4.016 1.00 0.00 C ATOM 391 O THR A 24 -3.132 -2.346 -3.893 1.00 0.00 O ATOM 392 CB THR A 24 0.031 -2.211 -4.429 1.00 0.00 C ATOM 393 OG1 THR A 24 1.189 -1.682 -3.795 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.731 -1.090 -5.138 1.00 0.00 C ATOM 0 H THR A 24 0.796 -4.128 -3.018 1.00 0.00 H new ATOM 0 HA THR A 24 -0.993 -2.225 -2.519 1.00 0.00 H new ATOM 0 HB THR A 24 0.331 -2.955 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.058 -1.679 -2.824 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.084 -0.624 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.611 -1.503 -5.630 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.041 -0.342 -4.408 1.00 0.00 H new ATOM 402 N TYR A 25 -2.388 -4.255 -4.690 1.00 0.00 N ATOM 403 CA TYR A 25 -3.703 -4.537 -5.302 1.00 0.00 C ATOM 404 C TYR A 25 -4.657 -4.942 -4.179 1.00 0.00 C ATOM 405 O TYR A 25 -5.587 -4.232 -3.852 1.00 0.00 O ATOM 406 CB TYR A 25 -3.572 -5.663 -6.332 1.00 0.00 C ATOM 407 CG TYR A 25 -4.786 -6.427 -6.391 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.772 -6.052 -7.262 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.892 -7.535 -5.605 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.909 -6.801 -7.349 1.00 0.00 C ATOM 411 CE2 TYR A 25 -6.021 -8.305 -5.679 1.00 0.00 C ATOM 412 CZ TYR A 25 -7.054 -7.948 -6.556 1.00 0.00 C ATOM 413 OH TYR A 25 -8.197 -8.716 -6.640 1.00 0.00 O ATOM 0 H TYR A 25 -1.672 -4.966 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.085 -3.657 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.350 -5.244 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.738 -6.313 -6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.651 -5.171 -7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.093 -7.803 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.697 -6.511 -8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.116 -9.187 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.129 -9.473 -6.022 1.00 0.00 H new ATOM 423 N GLU A 26 -4.407 -6.060 -3.551 1.00 0.00 N ATOM 424 CA GLU A 26 -5.271 -6.477 -2.415 1.00 0.00 C ATOM 425 C GLU A 26 -5.305 -5.309 -1.441 1.00 0.00 C ATOM 426 O GLU A 26 -6.345 -4.793 -1.084 1.00 0.00 O ATOM 427 CB GLU A 26 -4.644 -7.674 -1.708 1.00 0.00 C ATOM 428 CG GLU A 26 -5.214 -8.991 -2.234 1.00 0.00 C ATOM 429 CD GLU A 26 -6.742 -8.979 -2.137 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.264 -8.157 -1.403 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.365 -9.793 -2.799 1.00 0.00 O ATOM 0 H GLU A 26 -3.644 -6.699 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.267 -6.748 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.564 -7.659 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.823 -7.600 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.909 -9.140 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.812 -9.826 -1.660 1.00 0.00 H new ATOM 438 N LEU A 27 -4.142 -4.881 -1.037 1.00 0.00 N ATOM 439 CA LEU A 27 -4.023 -3.738 -0.116 1.00 0.00 C ATOM 440 C LEU A 27 -4.902 -2.600 -0.637 1.00 0.00 C ATOM 441 O LEU A 27 -5.441 -1.820 0.123 1.00 0.00 O ATOM 442 CB LEU A 27 -2.551 -3.349 -0.102 1.00 0.00 C ATOM 443 CG LEU A 27 -2.321 -2.062 0.684 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.209 -2.384 2.177 1.00 0.00 C ATOM 445 CD2 LEU A 27 -1.016 -1.430 0.193 1.00 0.00 C ATOM 0 H LEU A 27 -3.252 -5.292 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.352 -3.974 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.965 -4.155 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.198 -3.220 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.153 -1.374 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.045 -1.463 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.131 -2.856 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.372 -3.062 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.830 -0.507 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.191 -2.123 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.096 -1.210 -0.871 1.00 0.00 H new ATOM 457 N GLU A 28 -5.081 -2.523 -1.931 1.00 0.00 N ATOM 458 CA GLU A 28 -5.952 -1.471 -2.502 1.00 0.00 C ATOM 459 C GLU A 28 -7.387 -1.986 -2.467 1.00 0.00 C ATOM 460 O GLU A 28 -8.287 -1.329 -1.982 1.00 0.00 O ATOM 461 CB GLU A 28 -5.541 -1.207 -3.947 1.00 0.00 C ATOM 462 CG GLU A 28 -4.398 -0.189 -3.979 1.00 0.00 C ATOM 463 CD GLU A 28 -4.975 1.222 -4.107 1.00 0.00 C ATOM 464 OE1 GLU A 28 -6.048 1.452 -3.575 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.332 2.050 -4.732 1.00 0.00 O ATOM 0 H GLU A 28 -4.656 -3.150 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.864 -0.546 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.227 -2.137 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.392 -0.831 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.801 -0.268 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.733 -0.399 -4.817 1.00 0.00 H new ATOM 472 N ARG A 29 -7.601 -3.178 -2.959 1.00 0.00 N ATOM 473 CA ARG A 29 -8.970 -3.756 -2.936 1.00 0.00 C ATOM 474 C ARG A 29 -9.589 -3.453 -1.574 1.00 0.00 C ATOM 475 O ARG A 29 -10.744 -3.094 -1.467 1.00 0.00 O ATOM 476 CB ARG A 29 -8.882 -5.271 -3.137 1.00 0.00 C ATOM 477 CG ARG A 29 -8.589 -5.581 -4.606 1.00 0.00 C ATOM 478 CD ARG A 29 -9.594 -6.612 -5.126 1.00 0.00 C ATOM 479 NE ARG A 29 -10.972 -6.212 -4.722 1.00 0.00 N ATOM 480 CZ ARG A 29 -12.005 -6.754 -5.306 1.00 0.00 C ATOM 481 NH1 ARG A 29 -11.831 -7.632 -6.256 1.00 0.00 N ATOM 482 NH2 ARG A 29 -13.212 -6.415 -4.944 1.00 0.00 N ATOM 0 H ARG A 29 -6.885 -3.773 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.581 -3.327 -3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.098 -5.686 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.817 -5.742 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.649 -4.669 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.574 -5.963 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.528 -6.684 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.359 -7.598 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.107 -5.515 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.888 -7.894 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.638 -8.056 -6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.348 -5.726 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.019 -6.839 -5.401 1.00 0.00 H new ATOM 496 N ARG A 30 -8.818 -3.579 -0.531 1.00 0.00 N ATOM 497 CA ARG A 30 -9.346 -3.279 0.826 1.00 0.00 C ATOM 498 C ARG A 30 -10.034 -1.915 0.787 1.00 0.00 C ATOM 499 O ARG A 30 -11.172 -1.764 1.186 1.00 0.00 O ATOM 500 CB ARG A 30 -8.181 -3.224 1.820 1.00 0.00 C ATOM 501 CG ARG A 30 -8.514 -3.995 3.107 1.00 0.00 C ATOM 502 CD ARG A 30 -9.975 -3.777 3.519 1.00 0.00 C ATOM 503 NE ARG A 30 -10.758 -5.004 3.208 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.920 -5.197 3.766 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.400 -4.313 4.599 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.603 -6.275 3.494 1.00 0.00 N ATOM 0 H ARG A 30 -7.843 -3.877 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.052 -4.050 1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.287 -3.646 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.955 -2.186 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.331 -5.059 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.854 -3.669 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.036 -3.552 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.391 -2.921 2.988 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.385 -5.695 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.865 -3.471 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.309 -4.465 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.228 -6.966 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.512 -6.426 3.931 1.00 0.00 H new ATOM 520 N PHE A 31 -9.340 -0.919 0.304 1.00 0.00 N ATOM 521 CA PHE A 31 -9.933 0.445 0.227 1.00 0.00 C ATOM 522 C PHE A 31 -11.391 0.342 -0.227 1.00 0.00 C ATOM 523 O PHE A 31 -12.250 1.053 0.254 1.00 0.00 O ATOM 524 CB PHE A 31 -9.129 1.286 -0.771 1.00 0.00 C ATOM 525 CG PHE A 31 -9.365 2.754 -0.507 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.640 3.305 -0.683 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.306 3.565 -0.085 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.855 4.666 -0.439 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.521 4.927 0.161 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.795 5.477 -0.016 1.00 0.00 C ATOM 0 H PHE A 31 -8.383 -0.994 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.900 0.920 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.067 1.057 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.424 1.038 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.458 2.679 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.322 3.141 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.838 5.091 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.703 5.553 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.961 6.527 0.174 1.00 0.00 H new ATOM 540 N ARG A 32 -11.680 -0.544 -1.142 1.00 0.00 N ATOM 541 CA ARG A 32 -13.088 -0.690 -1.609 1.00 0.00 C ATOM 542 C ARG A 32 -13.937 -1.253 -0.468 1.00 0.00 C ATOM 543 O ARG A 32 -14.888 -0.635 -0.032 1.00 0.00 O ATOM 544 CB ARG A 32 -13.137 -1.628 -2.812 1.00 0.00 C ATOM 545 CG ARG A 32 -12.708 -0.855 -4.067 1.00 0.00 C ATOM 546 CD ARG A 32 -11.190 -0.954 -4.266 1.00 0.00 C ATOM 547 NE ARG A 32 -10.883 -1.634 -5.564 1.00 0.00 N ATOM 548 CZ ARG A 32 -11.513 -2.723 -5.923 1.00 0.00 C ATOM 549 NH1 ARG A 32 -12.380 -3.282 -5.125 1.00 0.00 N ATOM 550 NH2 ARG A 32 -11.257 -3.265 -7.082 1.00 0.00 N ATOM 0 H ARG A 32 -11.006 -1.169 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.481 0.282 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.477 -2.481 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.144 -2.024 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.222 -1.255 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.001 0.191 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.749 0.043 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.743 -1.509 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.170 -1.241 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.572 -2.870 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.866 -4.131 -5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.569 -2.840 -7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.745 -4.114 -7.367 1.00 0.00 H new ATOM 564 N GLN A 33 -13.595 -2.408 0.038 1.00 0.00 N ATOM 565 CA GLN A 33 -14.384 -2.975 1.168 1.00 0.00 C ATOM 566 C GLN A 33 -14.389 -1.951 2.299 1.00 0.00 C ATOM 567 O GLN A 33 -15.425 -1.569 2.804 1.00 0.00 O ATOM 568 CB GLN A 33 -13.744 -4.279 1.650 1.00 0.00 C ATOM 569 CG GLN A 33 -14.318 -5.452 0.855 1.00 0.00 C ATOM 570 CD GLN A 33 -15.760 -5.708 1.295 1.00 0.00 C ATOM 571 OE1 GLN A 33 -16.691 -5.383 0.584 1.00 0.00 O ATOM 572 NE2 GLN A 33 -15.988 -6.281 2.446 1.00 0.00 N ATOM 0 H GLN A 33 -12.811 -2.978 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.403 -3.190 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.662 -4.234 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.935 -4.419 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.286 -5.233 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.713 -6.345 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.208 -6.554 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.947 -6.456 2.748 1.00 0.00 H new ATOM 581 N GLN A 34 -13.233 -1.472 2.673 1.00 0.00 N ATOM 582 CA GLN A 34 -13.155 -0.442 3.729 1.00 0.00 C ATOM 583 C GLN A 34 -13.188 0.910 3.026 1.00 0.00 C ATOM 584 O GLN A 34 -13.714 1.042 1.938 1.00 0.00 O ATOM 585 CB GLN A 34 -11.833 -0.598 4.504 1.00 0.00 C ATOM 586 CG GLN A 34 -12.032 -0.217 5.972 1.00 0.00 C ATOM 587 CD GLN A 34 -13.100 -1.119 6.596 1.00 0.00 C ATOM 588 OE1 GLN A 34 -13.100 -2.315 6.388 1.00 0.00 O ATOM 589 NE2 GLN A 34 -14.019 -0.590 7.358 1.00 0.00 N ATOM 0 H GLN A 34 -12.335 -1.758 2.283 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.979 -0.535 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.481 -1.627 4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.065 0.034 4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.093 -0.319 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.333 0.828 6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.020 0.415 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.736 -1.182 7.778 1.00 0.00 H new ATOM 598 N ARG A 35 -12.619 1.903 3.617 1.00 0.00 N ATOM 599 CA ARG A 35 -12.592 3.234 2.984 1.00 0.00 C ATOM 600 C ARG A 35 -11.160 3.752 3.119 1.00 0.00 C ATOM 601 O ARG A 35 -10.490 4.027 2.143 1.00 0.00 O ATOM 602 CB ARG A 35 -13.608 4.129 3.710 1.00 0.00 C ATOM 603 CG ARG A 35 -13.154 5.596 3.697 1.00 0.00 C ATOM 604 CD ARG A 35 -14.263 6.530 3.170 1.00 0.00 C ATOM 605 NE ARG A 35 -14.700 7.473 4.247 1.00 0.00 N ATOM 606 CZ ARG A 35 -14.948 7.047 5.455 1.00 0.00 C ATOM 607 NH1 ARG A 35 -14.884 5.774 5.726 1.00 0.00 N ATOM 608 NH2 ARG A 35 -15.284 7.895 6.387 1.00 0.00 N ATOM 0 H ARG A 35 -12.163 1.850 4.528 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.866 3.214 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.583 4.042 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.727 3.790 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.871 5.899 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.266 5.697 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.897 7.092 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.113 5.940 2.826 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.806 8.465 4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.640 5.108 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.078 5.443 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.353 8.890 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.478 7.564 7.332 1.00 0.00 H new ATOM 622 N TYR A 36 -10.678 3.851 4.324 1.00 0.00 N ATOM 623 CA TYR A 36 -9.281 4.311 4.536 1.00 0.00 C ATOM 624 C TYR A 36 -8.670 3.493 5.672 1.00 0.00 C ATOM 625 O TYR A 36 -8.124 4.043 6.605 1.00 0.00 O ATOM 626 CB TYR A 36 -9.260 5.801 4.901 1.00 0.00 C ATOM 627 CG TYR A 36 -10.482 6.177 5.718 1.00 0.00 C ATOM 628 CD1 TYR A 36 -10.957 5.330 6.733 1.00 0.00 C ATOM 629 CD2 TYR A 36 -11.136 7.390 5.465 1.00 0.00 C ATOM 630 CE1 TYR A 36 -12.078 5.697 7.484 1.00 0.00 C ATOM 631 CE2 TYR A 36 -12.257 7.756 6.221 1.00 0.00 C ATOM 632 CZ TYR A 36 -12.727 6.907 7.231 1.00 0.00 C ATOM 633 OH TYR A 36 -13.827 7.267 7.980 1.00 0.00 O ATOM 0 H TYR A 36 -11.195 3.632 5.176 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.706 4.173 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.356 6.028 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.227 6.402 3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.456 4.395 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.775 8.044 4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.443 5.043 8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.759 8.692 6.025 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.787 8.226 8.180 1.00 0.00 H new ATOM 643 N LEU A 37 -8.788 2.181 5.595 1.00 0.00 N ATOM 644 CA LEU A 37 -8.244 1.281 6.678 1.00 0.00 C ATOM 645 C LEU A 37 -7.739 2.115 7.843 1.00 0.00 C ATOM 646 O LEU A 37 -6.733 2.790 7.758 1.00 0.00 O ATOM 647 CB LEU A 37 -7.096 0.441 6.134 1.00 0.00 C ATOM 648 CG LEU A 37 -7.558 -1.006 5.903 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.776 -1.007 4.980 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.431 -1.809 5.235 1.00 0.00 C ATOM 0 H LEU A 37 -9.241 1.691 4.823 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.046 0.625 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.735 0.868 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.261 0.456 6.835 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.814 -1.458 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.106 -2.033 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.582 -0.436 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.510 -0.553 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.762 -2.835 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.178 -1.354 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.553 -1.809 5.880 1.00 0.00 H new ATOM 662 N SER A 38 -8.425 2.058 8.933 1.00 0.00 N ATOM 663 CA SER A 38 -8.006 2.824 10.114 1.00 0.00 C ATOM 664 C SER A 38 -6.850 2.095 10.752 1.00 0.00 C ATOM 665 O SER A 38 -5.967 1.599 10.089 1.00 0.00 O ATOM 666 CB SER A 38 -9.159 2.919 11.103 1.00 0.00 C ATOM 667 OG SER A 38 -10.330 3.349 10.422 1.00 0.00 O ATOM 0 H SER A 38 -9.272 1.503 9.056 1.00 0.00 H new ATOM 0 HA SER A 38 -7.710 3.833 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.332 1.950 11.571 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.911 3.619 11.901 1.00 0.00 H new ATOM 0 HG SER A 38 -11.074 3.409 11.057 1.00 0.00 H new ATOM 673 N ALA A 39 -6.861 2.028 12.029 1.00 0.00 N ATOM 674 CA ALA A 39 -5.778 1.315 12.746 1.00 0.00 C ATOM 675 C ALA A 39 -6.129 -0.182 12.877 1.00 0.00 C ATOM 676 O ALA A 39 -5.252 -1.017 12.960 1.00 0.00 O ATOM 677 CB ALA A 39 -5.570 1.954 14.122 1.00 0.00 C ATOM 0 H ALA A 39 -7.579 2.439 12.626 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.849 1.396 12.182 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.773 1.430 14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.296 3.002 13.999 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.493 1.886 14.698 1.00 0.00 H new ATOM 683 N PRO A 40 -7.420 -0.465 12.923 1.00 0.00 N ATOM 684 CA PRO A 40 -7.850 -1.876 13.083 1.00 0.00 C ATOM 685 C PRO A 40 -8.380 -2.545 11.802 1.00 0.00 C ATOM 686 O PRO A 40 -8.638 -3.732 11.796 1.00 0.00 O ATOM 687 CB PRO A 40 -8.941 -1.882 14.120 1.00 0.00 C ATOM 688 CG PRO A 40 -9.206 -0.443 14.437 1.00 0.00 C ATOM 689 CD PRO A 40 -8.067 0.397 13.913 1.00 0.00 C ATOM 0 HA PRO A 40 -6.971 -2.454 13.366 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.838 -2.371 13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.632 -2.429 15.011 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.146 -0.126 13.985 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.308 -0.308 15.514 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.427 1.322 13.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.378 0.677 14.710 1.00 0.00 H new ATOM 697 N GLU A 41 -8.566 -1.829 10.727 1.00 0.00 N ATOM 698 CA GLU A 41 -9.099 -2.492 9.498 1.00 0.00 C ATOM 699 C GLU A 41 -7.932 -3.049 8.719 1.00 0.00 C ATOM 700 O GLU A 41 -8.067 -3.849 7.813 1.00 0.00 O ATOM 701 CB GLU A 41 -9.832 -1.466 8.646 1.00 0.00 C ATOM 702 CG GLU A 41 -11.310 -1.472 8.985 1.00 0.00 C ATOM 703 CD GLU A 41 -11.496 -1.498 10.502 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.140 -0.521 11.140 1.00 0.00 O ATOM 705 OE2 GLU A 41 -11.992 -2.494 11.002 1.00 0.00 O ATOM 0 H GLU A 41 -8.376 -0.830 10.644 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.790 -3.290 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.415 -0.474 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.692 -1.692 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.792 -0.589 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.791 -2.341 8.536 1.00 0.00 H new ATOM 712 N ARG A 42 -6.788 -2.577 9.062 1.00 0.00 N ATOM 713 CA ARG A 42 -5.552 -2.973 8.382 1.00 0.00 C ATOM 714 C ARG A 42 -4.978 -4.243 9.027 1.00 0.00 C ATOM 715 O ARG A 42 -4.250 -4.986 8.399 1.00 0.00 O ATOM 716 CB ARG A 42 -4.627 -1.777 8.523 1.00 0.00 C ATOM 717 CG ARG A 42 -4.666 -1.302 9.957 1.00 0.00 C ATOM 718 CD ARG A 42 -3.259 -1.140 10.518 1.00 0.00 C ATOM 719 NE ARG A 42 -3.374 -0.394 11.810 1.00 0.00 N ATOM 720 CZ ARG A 42 -2.324 -0.136 12.535 1.00 0.00 C ATOM 721 NH1 ARG A 42 -1.138 -0.447 12.098 1.00 0.00 N ATOM 722 NH2 ARG A 42 -2.457 0.457 13.689 1.00 0.00 N ATOM 0 H ARG A 42 -6.654 -1.905 9.818 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.702 -3.221 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.610 -2.051 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.938 -0.977 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.196 -0.351 10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.224 -2.015 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.795 -2.113 10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.626 -0.596 9.816 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.291 -0.082 12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.031 -0.893 11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.316 -0.245 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.384 0.719 14.024 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.634 0.659 14.257 1.00 0.00 H new ATOM 736 N GLU A 43 -5.334 -4.528 10.255 1.00 0.00 N ATOM 737 CA GLU A 43 -4.838 -5.785 10.893 1.00 0.00 C ATOM 738 C GLU A 43 -5.498 -6.950 10.154 1.00 0.00 C ATOM 739 O GLU A 43 -5.062 -8.083 10.223 1.00 0.00 O ATOM 740 CB GLU A 43 -5.229 -5.813 12.368 1.00 0.00 C ATOM 741 CG GLU A 43 -4.031 -5.372 13.208 1.00 0.00 C ATOM 742 CD GLU A 43 -3.160 -6.587 13.533 1.00 0.00 C ATOM 743 OE1 GLU A 43 -3.701 -7.679 13.598 1.00 0.00 O ATOM 744 OE2 GLU A 43 -1.967 -6.405 13.712 1.00 0.00 O ATOM 0 H GLU A 43 -5.940 -3.951 10.838 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.752 -5.850 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.077 -5.152 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.542 -6.817 12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.448 -4.628 12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.373 -4.900 14.129 1.00 0.00 H new ATOM 751 N HIS A 44 -6.528 -6.660 9.403 1.00 0.00 N ATOM 752 CA HIS A 44 -7.190 -7.721 8.599 1.00 0.00 C ATOM 753 C HIS A 44 -6.348 -7.856 7.340 1.00 0.00 C ATOM 754 O HIS A 44 -5.932 -8.932 6.960 1.00 0.00 O ATOM 755 CB HIS A 44 -8.617 -7.297 8.242 1.00 0.00 C ATOM 756 CG HIS A 44 -9.135 -8.158 7.123 1.00 0.00 C ATOM 757 ND1 HIS A 44 -9.292 -7.678 5.833 1.00 0.00 N ATOM 758 CD2 HIS A 44 -9.534 -9.471 7.086 1.00 0.00 C ATOM 759 CE1 HIS A 44 -9.768 -8.687 5.081 1.00 0.00 C ATOM 760 NE2 HIS A 44 -9.935 -9.802 5.795 1.00 0.00 N ATOM 0 H HIS A 44 -6.938 -5.730 9.314 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.260 -8.663 9.143 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.264 -7.390 9.115 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.632 -6.249 7.944 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.536 -10.145 7.930 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.988 -8.605 4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.282 -10.703 5.466 1.00 0.00 H new ATOM 768 N LEU A 45 -6.031 -6.742 6.737 1.00 0.00 N ATOM 769 CA LEU A 45 -5.141 -6.763 5.551 1.00 0.00 C ATOM 770 C LEU A 45 -3.919 -7.546 5.969 1.00 0.00 C ATOM 771 O LEU A 45 -3.552 -8.548 5.391 1.00 0.00 O ATOM 772 CB LEU A 45 -4.715 -5.312 5.226 1.00 0.00 C ATOM 773 CG LEU A 45 -3.669 -5.258 4.168 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.362 -5.840 4.723 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.265 -6.002 2.967 1.00 0.00 C ATOM 0 H LEU A 45 -6.354 -5.817 7.019 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.628 -7.200 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.587 -4.743 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.340 -4.834 6.131 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.401 -4.252 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.591 -5.803 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.041 -5.256 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.524 -6.875 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.547 -6.002 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.491 -7.030 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.180 -5.504 2.648 1.00 0.00 H new ATOM 787 N THR A 46 -3.283 -7.042 6.977 1.00 0.00 N ATOM 788 CA THR A 46 -2.053 -7.653 7.510 1.00 0.00 C ATOM 789 C THR A 46 -2.163 -9.171 7.431 1.00 0.00 C ATOM 790 O THR A 46 -1.178 -9.881 7.406 1.00 0.00 O ATOM 791 CB THR A 46 -1.928 -7.146 8.930 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.147 -7.370 9.599 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.618 -5.653 8.862 1.00 0.00 C ATOM 0 H THR A 46 -3.579 -6.199 7.470 1.00 0.00 H new ATOM 0 HA THR A 46 -1.161 -7.387 6.942 1.00 0.00 H new ATOM 0 HB THR A 46 -1.135 -7.661 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.639 -8.089 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.521 -5.255 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.684 -5.500 8.321 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.427 -5.137 8.345 1.00 0.00 H new ATOM 801 N SER A 47 -3.357 -9.666 7.329 1.00 0.00 N ATOM 802 CA SER A 47 -3.540 -11.128 7.175 1.00 0.00 C ATOM 803 C SER A 47 -3.391 -11.440 5.683 1.00 0.00 C ATOM 804 O SER A 47 -2.663 -12.327 5.282 1.00 0.00 O ATOM 805 CB SER A 47 -4.930 -11.523 7.661 1.00 0.00 C ATOM 806 OG SER A 47 -5.171 -10.929 8.929 1.00 0.00 O ATOM 0 H SER A 47 -4.218 -9.119 7.346 1.00 0.00 H new ATOM 0 HA SER A 47 -2.807 -11.684 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.684 -11.197 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.007 -12.608 7.734 1.00 0.00 H new ATOM 0 HG SER A 47 -5.521 -10.022 8.804 1.00 0.00 H new ATOM 812 N LEU A 48 -4.082 -10.691 4.864 1.00 0.00 N ATOM 813 CA LEU A 48 -4.032 -10.864 3.405 1.00 0.00 C ATOM 814 C LEU A 48 -2.605 -10.787 2.857 1.00 0.00 C ATOM 815 O LEU A 48 -1.938 -11.787 2.682 1.00 0.00 O ATOM 816 CB LEU A 48 -4.854 -9.725 2.803 1.00 0.00 C ATOM 817 CG LEU A 48 -6.147 -10.281 2.265 1.00 0.00 C ATOM 818 CD1 LEU A 48 -7.112 -10.555 3.421 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.778 -9.288 1.287 1.00 0.00 C ATOM 0 H LEU A 48 -4.700 -9.940 5.172 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.421 -11.849 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.057 -8.967 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.293 -9.238 2.005 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.942 -11.213 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.046 -10.957 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.665 -11.277 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.313 -9.626 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.712 -9.699 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.979 -8.348 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.093 -9.109 0.458 1.00 0.00 H new ATOM 831 N ILE A 49 -2.161 -9.605 2.522 1.00 0.00 N ATOM 832 CA ILE A 49 -0.803 -9.469 1.910 1.00 0.00 C ATOM 833 C ILE A 49 0.228 -9.005 2.952 1.00 0.00 C ATOM 834 O ILE A 49 1.211 -8.363 2.642 1.00 0.00 O ATOM 835 CB ILE A 49 -0.885 -8.524 0.686 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.702 -7.046 1.081 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.254 -8.691 0.014 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.532 -6.742 2.305 1.00 0.00 C ATOM 0 H ILE A 49 -2.674 -8.732 2.644 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.459 -10.442 1.559 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.078 -8.793 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.349 -6.840 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.001 -6.399 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.319 -8.028 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.376 -9.724 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.041 -8.439 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.401 -5.696 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.583 -6.931 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.212 -7.379 3.129 1.00 0.00 H new ATOM 850 N ARG A 50 0.011 -9.387 4.182 1.00 0.00 N ATOM 851 CA ARG A 50 0.958 -9.060 5.297 1.00 0.00 C ATOM 852 C ARG A 50 1.731 -7.780 5.040 1.00 0.00 C ATOM 853 O ARG A 50 2.886 -7.658 5.398 1.00 0.00 O ATOM 854 CB ARG A 50 1.928 -10.214 5.449 1.00 0.00 C ATOM 855 CG ARG A 50 1.159 -11.500 5.169 1.00 0.00 C ATOM 856 CD ARG A 50 1.521 -12.570 6.204 1.00 0.00 C ATOM 857 NE ARG A 50 1.709 -13.891 5.529 1.00 0.00 N ATOM 858 CZ ARG A 50 0.879 -14.300 4.606 1.00 0.00 C ATOM 859 NH1 ARG A 50 -0.184 -13.603 4.318 1.00 0.00 N ATOM 860 NH2 ARG A 50 1.103 -15.428 3.988 1.00 0.00 N ATOM 0 H ARG A 50 -0.805 -9.927 4.471 1.00 0.00 H new ATOM 0 HA ARG A 50 0.378 -8.908 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.762 -10.107 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.349 -10.231 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.087 -11.305 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.391 -11.860 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.434 -12.287 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.733 -12.644 6.954 1.00 0.00 H new ATOM 0 HE ARG A 50 2.497 -14.482 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.373 -12.732 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.827 -13.929 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.923 -15.986 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.458 -15.751 3.267 1.00 0.00 H new ATOM 874 N LEU A 51 1.104 -6.822 4.460 1.00 0.00 N ATOM 875 CA LEU A 51 1.818 -5.531 4.224 1.00 0.00 C ATOM 876 C LEU A 51 1.951 -4.807 5.564 1.00 0.00 C ATOM 877 O LEU A 51 1.985 -3.599 5.641 1.00 0.00 O ATOM 878 CB LEU A 51 1.075 -4.651 3.216 1.00 0.00 C ATOM 879 CG LEU A 51 1.907 -4.514 1.942 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.170 -3.607 0.960 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.266 -3.899 2.282 1.00 0.00 C ATOM 0 H LEU A 51 0.138 -6.859 4.136 1.00 0.00 H new ATOM 0 HA LEU A 51 2.802 -5.738 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.104 -5.088 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.886 -3.668 3.646 1.00 0.00 H new ATOM 0 HG LEU A 51 2.058 -5.496 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.758 -3.504 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.200 -4.043 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.025 -2.625 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.859 -3.802 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.119 -2.915 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.790 -4.542 2.989 1.00 0.00 H new ATOM 893 N THR A 52 2.048 -5.575 6.612 1.00 0.00 N ATOM 894 CA THR A 52 2.206 -5.031 7.988 1.00 0.00 C ATOM 895 C THR A 52 1.103 -4.025 8.339 1.00 0.00 C ATOM 896 O THR A 52 0.570 -3.358 7.478 1.00 0.00 O ATOM 897 CB THR A 52 3.543 -4.347 8.115 1.00 0.00 C ATOM 898 OG1 THR A 52 3.953 -3.854 6.847 1.00 0.00 O ATOM 899 CG2 THR A 52 4.578 -5.343 8.625 1.00 0.00 C ATOM 0 H THR A 52 2.023 -6.594 6.568 1.00 0.00 H new ATOM 0 HA THR A 52 2.136 -5.871 8.679 1.00 0.00 H new ATOM 0 HB THR A 52 3.455 -3.517 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.884 -3.553 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.545 -4.848 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.270 -5.721 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.661 -6.173 7.924 1.00 0.00 H new ATOM 907 N PRO A 53 0.791 -3.968 9.618 1.00 0.00 N ATOM 908 CA PRO A 53 -0.276 -3.041 10.068 1.00 0.00 C ATOM 909 C PRO A 53 0.128 -1.581 9.889 1.00 0.00 C ATOM 910 O PRO A 53 -0.182 -0.970 8.887 1.00 0.00 O ATOM 911 CB PRO A 53 -0.513 -3.358 11.547 1.00 0.00 C ATOM 912 CG PRO A 53 0.424 -4.512 11.929 1.00 0.00 C ATOM 913 CD PRO A 53 1.196 -4.925 10.674 1.00 0.00 C ATOM 0 HA PRO A 53 -1.180 -3.177 9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.313 -2.482 12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.553 -3.637 11.717 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.112 -4.201 12.715 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.147 -5.354 12.320 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.272 -4.886 10.846 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.956 -5.949 10.387 1.00 0.00 H new ATOM 921 N THR A 54 0.798 -1.001 10.851 1.00 0.00 N ATOM 922 CA THR A 54 1.184 0.420 10.710 1.00 0.00 C ATOM 923 C THR A 54 1.551 0.665 9.251 1.00 0.00 C ATOM 924 O THR A 54 1.027 1.551 8.606 1.00 0.00 O ATOM 925 CB THR A 54 2.371 0.709 11.615 1.00 0.00 C ATOM 926 OG1 THR A 54 1.971 0.571 12.972 1.00 0.00 O ATOM 927 CG2 THR A 54 2.852 2.133 11.365 1.00 0.00 C ATOM 0 H THR A 54 1.089 -1.452 11.719 1.00 0.00 H new ATOM 0 HA THR A 54 0.364 1.078 10.998 1.00 0.00 H new ATOM 0 HB THR A 54 3.179 0.008 11.404 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.734 0.755 13.558 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.704 2.348 12.011 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.152 2.238 10.322 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.045 2.833 11.583 1.00 0.00 H new ATOM 935 N GLN A 55 2.414 -0.150 8.715 1.00 0.00 N ATOM 936 CA GLN A 55 2.780 -0.004 7.283 1.00 0.00 C ATOM 937 C GLN A 55 1.491 0.200 6.490 1.00 0.00 C ATOM 938 O GLN A 55 1.274 1.222 5.870 1.00 0.00 O ATOM 939 CB GLN A 55 3.452 -1.292 6.816 1.00 0.00 C ATOM 940 CG GLN A 55 3.756 -1.206 5.321 1.00 0.00 C ATOM 941 CD GLN A 55 5.225 -1.559 5.075 1.00 0.00 C ATOM 942 OE1 GLN A 55 5.538 -2.330 4.071 1.00 0.00 O flip ATOM 943 NE2 GLN A 55 6.095 -1.129 5.806 1.00 0.00 N flip ATOM 0 H GLN A 55 2.881 -0.911 9.208 1.00 0.00 H new ATOM 0 HA GLN A 55 3.457 0.838 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.374 -1.455 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.803 -2.145 7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.110 -1.888 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.547 -0.201 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.849 -0.526 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.071 -1.371 5.635 1.00 0.00 H new ATOM 952 N VAL A 56 0.626 -0.775 6.535 1.00 0.00 N ATOM 953 CA VAL A 56 -0.675 -0.675 5.820 1.00 0.00 C ATOM 954 C VAL A 56 -1.312 0.675 6.136 1.00 0.00 C ATOM 955 O VAL A 56 -1.686 1.426 5.258 1.00 0.00 O ATOM 956 CB VAL A 56 -1.590 -1.792 6.326 1.00 0.00 C ATOM 957 CG1 VAL A 56 -3.037 -1.508 5.949 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.163 -3.121 5.720 1.00 0.00 C ATOM 0 H VAL A 56 0.768 -1.648 7.044 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.526 -0.767 4.744 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.510 -1.840 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.674 -2.313 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.351 -0.564 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.124 -1.443 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.817 -3.913 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.231 -3.064 4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.135 -3.339 6.009 1.00 0.00 H new ATOM 968 N LYS A 57 -1.436 0.979 7.395 1.00 0.00 N ATOM 969 CA LYS A 57 -2.049 2.269 7.809 1.00 0.00 C ATOM 970 C LYS A 57 -1.341 3.435 7.116 1.00 0.00 C ATOM 971 O LYS A 57 -1.967 4.377 6.675 1.00 0.00 O ATOM 972 CB LYS A 57 -1.898 2.418 9.321 1.00 0.00 C ATOM 973 CG LYS A 57 -2.995 3.334 9.865 1.00 0.00 C ATOM 974 CD LYS A 57 -2.454 4.125 11.059 1.00 0.00 C ATOM 975 CE LYS A 57 -1.630 3.199 11.958 1.00 0.00 C ATOM 976 NZ LYS A 57 -1.897 3.528 13.387 1.00 0.00 N ATOM 0 H LYS A 57 -1.135 0.381 8.165 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.102 2.277 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.958 1.440 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.917 2.830 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.333 4.017 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.860 2.743 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.837 4.953 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.279 4.558 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.887 2.158 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.568 3.313 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.338 2.899 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.631 4.516 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.909 3.398 13.590 1.00 0.00 H new ATOM 990 N ILE A 58 -0.039 3.395 7.043 1.00 0.00 N ATOM 991 CA ILE A 58 0.701 4.521 6.405 1.00 0.00 C ATOM 992 C ILE A 58 0.502 4.511 4.881 1.00 0.00 C ATOM 993 O ILE A 58 0.313 5.548 4.277 1.00 0.00 O ATOM 994 CB ILE A 58 2.194 4.412 6.731 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.403 4.317 8.250 1.00 0.00 C ATOM 996 CG2 ILE A 58 2.918 5.651 6.202 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.321 5.108 8.993 1.00 0.00 C ATOM 0 H ILE A 58 0.543 2.635 7.396 1.00 0.00 H new ATOM 0 HA ILE A 58 0.309 5.458 6.800 1.00 0.00 H new ATOM 0 HB ILE A 58 2.594 3.514 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.377 3.273 8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.388 4.703 8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.981 5.577 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.784 5.717 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.506 6.543 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.486 5.029 10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.367 6.155 8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.340 4.703 8.746 1.00 0.00 H new ATOM 1009 N TRP A 59 0.543 3.367 4.245 1.00 0.00 N ATOM 1010 CA TRP A 59 0.355 3.351 2.765 1.00 0.00 C ATOM 1011 C TRP A 59 -0.933 4.099 2.416 1.00 0.00 C ATOM 1012 O TRP A 59 -1.007 4.803 1.428 1.00 0.00 O ATOM 1013 CB TRP A 59 0.258 1.910 2.256 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.248 1.924 0.847 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.516 2.097 -0.257 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.616 1.773 0.376 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.301 2.064 -1.375 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.625 1.866 -1.034 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.836 1.568 1.035 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.810 1.759 -1.766 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -4.031 1.460 0.307 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -4.020 1.556 -1.092 1.00 0.00 C ATOM 0 H TRP A 59 0.696 2.457 4.680 1.00 0.00 H new ATOM 0 HA TRP A 59 1.209 3.835 2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.235 1.428 2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.412 1.331 2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.587 2.238 -0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.034 2.173 -2.332 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.857 1.493 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.793 1.832 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.964 1.302 0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.942 1.474 -1.648 1.00 0.00 H new ATOM 1033 N PHE A 60 -1.951 3.956 3.223 1.00 0.00 N ATOM 1034 CA PHE A 60 -3.234 4.661 2.941 1.00 0.00 C ATOM 1035 C PHE A 60 -2.998 6.172 2.969 1.00 0.00 C ATOM 1036 O PHE A 60 -3.558 6.915 2.187 1.00 0.00 O ATOM 1037 CB PHE A 60 -4.266 4.292 4.011 1.00 0.00 C ATOM 1038 CG PHE A 60 -5.070 3.104 3.543 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.573 1.810 3.730 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.304 3.296 2.914 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.309 0.707 3.287 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.043 2.191 2.473 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.545 0.897 2.659 1.00 0.00 C ATOM 0 H PHE A 60 -1.949 3.381 4.065 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.604 4.364 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.765 4.059 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.925 5.138 4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.620 1.663 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.687 4.295 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.924 -0.292 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.997 2.338 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.114 0.045 2.318 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.172 6.629 3.868 1.00 0.00 N ATOM 1054 CA GLN A 61 -1.894 8.090 3.958 1.00 0.00 C ATOM 1055 C GLN A 61 -1.442 8.614 2.593 1.00 0.00 C ATOM 1056 O GLN A 61 -1.781 9.712 2.196 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.787 8.326 4.989 1.00 0.00 C ATOM 1058 CG GLN A 61 -0.631 9.826 5.243 1.00 0.00 C ATOM 1059 CD GLN A 61 -0.306 10.059 6.719 1.00 0.00 C ATOM 1060 OE1 GLN A 61 0.639 10.750 7.045 1.00 0.00 O ATOM 1061 NE2 GLN A 61 -1.054 9.505 7.634 1.00 0.00 N ATOM 0 H GLN A 61 -1.676 6.052 4.547 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.799 8.617 4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.028 7.813 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.153 7.908 4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.163 10.232 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.549 10.349 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.847 8.925 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.845 9.652 8.621 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.672 7.842 1.874 1.00 0.00 N ATOM 1071 CA ASN A 62 -0.190 8.301 0.539 1.00 0.00 C ATOM 1072 C ASN A 62 -1.363 8.384 -0.447 1.00 0.00 C ATOM 1073 O ASN A 62 -1.514 9.355 -1.160 1.00 0.00 O ATOM 1074 CB ASN A 62 0.852 7.311 0.009 1.00 0.00 C ATOM 1075 CG ASN A 62 2.196 8.025 -0.159 1.00 0.00 C ATOM 1076 OD1 ASN A 62 2.559 8.858 0.647 1.00 0.00 O ATOM 1077 ND2 ASN A 62 2.955 7.733 -1.181 1.00 0.00 N ATOM 0 H ASN A 62 -0.356 6.913 2.153 1.00 0.00 H new ATOM 0 HA ASN A 62 0.257 9.290 0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.957 6.473 0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.525 6.899 -0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.852 8.204 -1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.651 7.034 -1.859 1.00 0.00 H new ATOM 1084 N HIS A 63 -2.189 7.373 -0.501 1.00 0.00 N ATOM 1085 CA HIS A 63 -3.339 7.402 -1.452 1.00 0.00 C ATOM 1086 C HIS A 63 -4.458 8.282 -0.889 1.00 0.00 C ATOM 1087 O HIS A 63 -5.092 9.026 -1.611 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.864 5.981 -1.660 1.00 0.00 C ATOM 1089 CG HIS A 63 -3.470 5.495 -3.028 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -4.075 5.967 -4.183 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -2.531 4.583 -3.443 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -3.497 5.345 -5.227 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -2.550 4.490 -4.831 1.00 0.00 N ATOM 0 H HIS A 63 -2.118 6.531 0.070 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.006 7.812 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.459 5.317 -0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.949 5.964 -1.555 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.877 4.023 -2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.766 5.516 -6.259 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.966 3.896 -5.420 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.711 8.201 0.389 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.794 9.032 0.989 1.00 0.00 C ATOM 1103 C ARG A 64 -5.857 10.383 0.271 1.00 0.00 C ATOM 1104 O ARG A 64 -6.901 10.809 -0.172 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.506 9.253 2.475 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.453 10.321 3.026 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.900 9.923 2.730 1.00 0.00 C ATOM 1108 NE ARG A 64 -8.824 10.783 3.523 1.00 0.00 N ATOM 1109 CZ ARG A 64 -10.090 10.839 3.211 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -10.544 10.141 2.206 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -10.901 11.592 3.904 1.00 0.00 N ATOM 0 H ARG A 64 -4.215 7.596 1.043 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.749 8.519 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.635 8.320 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.470 9.564 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.308 10.431 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.231 11.287 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.108 10.032 1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.058 8.874 2.980 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.467 11.327 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.910 9.553 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.533 10.184 1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.545 12.137 4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.890 11.636 3.660 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.745 11.060 0.162 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.736 12.388 -0.526 1.00 0.00 C ATOM 1127 C TYR A 65 -5.009 12.216 -2.025 1.00 0.00 C ATOM 1128 O TYR A 65 -5.753 12.975 -2.614 1.00 0.00 O ATOM 1129 CB TYR A 65 -3.372 13.052 -0.330 1.00 0.00 C ATOM 1130 CG TYR A 65 -3.546 14.549 -0.244 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -4.001 15.134 0.945 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -3.253 15.353 -1.351 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -4.163 16.523 1.024 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -3.416 16.741 -1.272 1.00 0.00 C ATOM 1135 CZ TYR A 65 -3.870 17.326 -0.085 1.00 0.00 C ATOM 1136 OH TYR A 65 -4.031 18.694 -0.005 1.00 0.00 O ATOM 0 H TYR A 65 -3.841 10.752 0.519 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.518 13.013 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.901 12.678 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.711 12.799 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.227 14.514 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.901 14.902 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.514 16.975 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.191 17.361 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.783 19.103 -0.860 1.00 0.00 H new ATOM 1146 N LYS A 66 -4.411 11.241 -2.658 1.00 0.00 N ATOM 1147 CA LYS A 66 -4.655 11.055 -4.116 1.00 0.00 C ATOM 1148 C LYS A 66 -5.998 10.353 -4.334 1.00 0.00 C ATOM 1149 O LYS A 66 -6.769 10.735 -5.193 1.00 0.00 O ATOM 1150 CB LYS A 66 -3.532 10.215 -4.723 1.00 0.00 C ATOM 1151 CG LYS A 66 -2.333 11.114 -5.024 1.00 0.00 C ATOM 1152 CD LYS A 66 -1.108 10.248 -5.309 1.00 0.00 C ATOM 1153 CE LYS A 66 -1.313 9.486 -6.618 1.00 0.00 C ATOM 1154 NZ LYS A 66 -0.021 9.403 -7.354 1.00 0.00 N ATOM 0 H LYS A 66 -3.770 10.572 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.679 12.031 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.242 9.422 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.877 9.732 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.549 11.751 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.137 11.773 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.216 10.872 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.947 9.547 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.691 8.485 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.061 9.990 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.161 8.884 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.322 10.362 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.680 8.904 -6.770 1.00 0.00 H new ATOM 1168 N THR A 67 -6.295 9.334 -3.569 1.00 0.00 N ATOM 1169 CA THR A 67 -7.597 8.634 -3.751 1.00 0.00 C ATOM 1170 C THR A 67 -8.691 9.683 -3.948 1.00 0.00 C ATOM 1171 O THR A 67 -9.784 9.387 -4.387 1.00 0.00 O ATOM 1172 CB THR A 67 -7.906 7.795 -2.507 1.00 0.00 C ATOM 1173 OG1 THR A 67 -7.283 8.382 -1.373 1.00 0.00 O ATOM 1174 CG2 THR A 67 -7.378 6.374 -2.703 1.00 0.00 C ATOM 0 H THR A 67 -5.696 8.960 -2.833 1.00 0.00 H new ATOM 0 HA THR A 67 -7.550 7.977 -4.620 1.00 0.00 H new ATOM 0 HB THR A 67 -8.984 7.761 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.502 9.337 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.599 5.778 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.858 5.924 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.300 6.405 -2.860 1.00 0.00 H new ATOM 1182 N LYS A 68 -8.392 10.913 -3.631 1.00 0.00 N ATOM 1183 CA LYS A 68 -9.394 12.001 -3.797 1.00 0.00 C ATOM 1184 C LYS A 68 -9.303 12.549 -5.222 1.00 0.00 C ATOM 1185 O LYS A 68 -10.301 12.810 -5.864 1.00 0.00 O ATOM 1186 CB LYS A 68 -9.095 13.120 -2.797 1.00 0.00 C ATOM 1187 CG LYS A 68 -8.421 12.527 -1.564 1.00 0.00 C ATOM 1188 CD LYS A 68 -8.050 13.650 -0.593 1.00 0.00 C ATOM 1189 CE LYS A 68 -9.293 14.477 -0.258 1.00 0.00 C ATOM 1190 NZ LYS A 68 -10.458 13.568 -0.066 1.00 0.00 N ATOM 0 H LYS A 68 -7.489 11.212 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.397 11.614 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.448 13.869 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.018 13.626 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.090 11.817 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.528 11.974 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.625 13.230 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.286 14.288 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.121 15.061 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.499 15.185 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.196 14.060 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.838 13.290 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.154 12.719 0.452 1.00 0.00 H new ATOM 1204 N ARG A 69 -8.109 12.721 -5.720 1.00 0.00 N ATOM 1205 CA ARG A 69 -7.943 13.247 -7.103 1.00 0.00 C ATOM 1206 C ARG A 69 -8.512 12.234 -8.100 1.00 0.00 C ATOM 1207 O ARG A 69 -8.864 12.572 -9.212 1.00 0.00 O ATOM 1208 CB ARG A 69 -6.453 13.458 -7.392 1.00 0.00 C ATOM 1209 CG ARG A 69 -6.009 14.834 -6.883 1.00 0.00 C ATOM 1210 CD ARG A 69 -5.759 14.761 -5.376 1.00 0.00 C ATOM 1211 NE ARG A 69 -6.442 15.903 -4.695 1.00 0.00 N ATOM 1212 CZ ARG A 69 -6.398 17.106 -5.202 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -5.684 17.346 -6.268 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -7.052 18.078 -4.628 1.00 0.00 N ATOM 0 H ARG A 69 -7.239 12.519 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.472 14.195 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.866 12.676 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.268 13.380 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.102 15.149 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.775 15.579 -7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.131 13.815 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.688 14.792 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.948 15.741 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.157 16.592 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.653 18.287 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.597 17.898 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.019 19.018 -5.023 1.00 0.00 H new ATOM 1228 N ALA A 70 -8.600 10.992 -7.709 1.00 0.00 N ATOM 1229 CA ALA A 70 -9.140 9.955 -8.633 1.00 0.00 C ATOM 1230 C ALA A 70 -10.607 10.258 -8.947 1.00 0.00 C ATOM 1231 O ALA A 70 -10.985 10.426 -10.089 1.00 0.00 O ATOM 1232 CB ALA A 70 -9.031 8.578 -7.971 1.00 0.00 C ATOM 0 H ALA A 70 -8.321 10.651 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.566 9.961 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.426 7.818 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.985 8.361 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.604 8.574 -7.044 1.00 0.00 H new ATOM 1238 N GLN A 71 -11.438 10.326 -7.942 1.00 0.00 N ATOM 1239 CA GLN A 71 -12.880 10.615 -8.187 1.00 0.00 C ATOM 1240 C GLN A 71 -13.016 11.950 -8.924 1.00 0.00 C ATOM 1241 O GLN A 71 -13.863 12.112 -9.780 1.00 0.00 O ATOM 1242 CB GLN A 71 -13.620 10.689 -6.849 1.00 0.00 C ATOM 1243 CG GLN A 71 -13.822 9.274 -6.303 1.00 0.00 C ATOM 1244 CD GLN A 71 -14.623 9.335 -5.001 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -14.490 10.269 -4.235 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -15.456 8.372 -4.717 1.00 0.00 N ATOM 0 H GLN A 71 -11.181 10.194 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.312 9.821 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.050 11.287 -6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.584 11.181 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.347 8.662 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.856 8.801 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.568 7.588 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.996 8.403 -3.852 1.00 0.00 H new ATOM 1255 N ASN A 72 -12.186 12.905 -8.604 1.00 0.00 N ATOM 1256 CA ASN A 72 -12.269 14.225 -9.293 1.00 0.00 C ATOM 1257 C ASN A 72 -11.840 14.062 -10.751 1.00 0.00 C ATOM 1258 O ASN A 72 -12.263 14.798 -11.620 1.00 0.00 O ATOM 1259 CB ASN A 72 -11.340 15.223 -8.600 1.00 0.00 C ATOM 1260 CG ASN A 72 -11.891 15.561 -7.213 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -12.376 16.752 -6.990 1.00 0.00 O flip ATOM 1262 ND2 ASN A 72 -11.879 14.733 -6.324 1.00 0.00 N flip ATOM 0 H ASN A 72 -11.455 12.829 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.294 14.593 -9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.339 14.802 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.253 16.130 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.500 13.802 -6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.248 14.968 -5.403 1.00 0.00 H new ATOM 1269 N GLU A 73 -11.021 13.085 -11.030 1.00 0.00 N ATOM 1270 CA GLU A 73 -10.586 12.850 -12.431 1.00 0.00 C ATOM 1271 C GLU A 73 -11.623 11.947 -13.064 1.00 0.00 C ATOM 1272 O GLU A 73 -12.569 12.393 -13.682 1.00 0.00 O ATOM 1273 CB GLU A 73 -9.217 12.168 -12.444 1.00 0.00 C ATOM 1274 CG GLU A 73 -8.136 13.198 -12.776 1.00 0.00 C ATOM 1275 CD GLU A 73 -7.962 13.284 -14.293 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -7.336 12.396 -14.848 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -8.458 14.234 -14.874 1.00 0.00 O ATOM 0 H GLU A 73 -10.634 12.438 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.498 13.788 -12.979 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.016 11.714 -11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.206 11.364 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.413 14.173 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.194 12.916 -12.307 1.00 0.00 H new ATOM 1284 N LYS A 74 -11.479 10.673 -12.852 1.00 0.00 N ATOM 1285 CA LYS A 74 -12.482 9.723 -13.373 1.00 0.00 C ATOM 1286 C LYS A 74 -13.029 10.219 -14.715 1.00 0.00 C ATOM 1287 O LYS A 74 -14.209 10.127 -14.987 1.00 0.00 O ATOM 1288 CB LYS A 74 -13.599 9.665 -12.337 1.00 0.00 C ATOM 1289 CG LYS A 74 -13.802 8.220 -11.876 1.00 0.00 C ATOM 1290 CD LYS A 74 -12.594 7.775 -11.049 1.00 0.00 C ATOM 1291 CE LYS A 74 -12.325 6.289 -11.296 1.00 0.00 C ATOM 1292 NZ LYS A 74 -13.527 5.497 -10.910 1.00 0.00 N ATOM 0 H LYS A 74 -10.706 10.251 -12.338 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.047 8.738 -13.539 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.350 10.297 -11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.524 10.054 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.712 8.141 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.927 7.566 -12.739 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.718 8.364 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.781 7.950 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.087 6.121 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.460 5.964 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.267 4.494 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.895 5.846 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.259 5.598 -11.642 1.00 0.00 H new ATOM 1306 N GLY A 75 -12.178 10.743 -15.553 1.00 0.00 N ATOM 1307 CA GLY A 75 -12.647 11.244 -16.876 1.00 0.00 C ATOM 1308 C GLY A 75 -11.813 10.604 -17.988 1.00 0.00 C ATOM 1309 O GLY A 75 -10.999 9.737 -17.742 1.00 0.00 O ATOM 0 H GLY A 75 -11.178 10.846 -15.379 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.702 11.005 -17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.558 12.329 -16.918 1.00 0.00 H new ATOM 1313 N TYR A 76 -12.003 11.026 -19.208 1.00 0.00 N ATOM 1314 CA TYR A 76 -11.215 10.438 -20.327 1.00 0.00 C ATOM 1315 C TYR A 76 -9.763 10.909 -20.220 1.00 0.00 C ATOM 1316 O TYR A 76 -8.881 10.390 -20.876 1.00 0.00 O ATOM 1317 CB TYR A 76 -11.799 10.892 -21.666 1.00 0.00 C ATOM 1318 CG TYR A 76 -13.296 11.055 -21.540 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -14.066 10.040 -20.962 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -13.913 12.223 -22.006 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -15.453 10.191 -20.850 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -15.300 12.375 -21.893 1.00 0.00 C ATOM 1323 CZ TYR A 76 -16.070 11.359 -21.315 1.00 0.00 C ATOM 1324 OH TYR A 76 -17.438 11.508 -21.204 1.00 0.00 O ATOM 0 H TYR A 76 -12.668 11.751 -19.478 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.256 9.350 -20.268 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.345 11.835 -21.971 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.567 10.162 -22.441 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.590 9.140 -20.602 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.319 13.006 -22.453 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -16.047 9.407 -20.405 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.776 13.276 -22.252 1.00 0.00 H new ATOM 0 HH TYR A 76 -17.704 12.376 -21.574 1.00 0.00 H new ATOM 1334 N GLU A 77 -9.508 11.889 -19.398 1.00 0.00 N ATOM 1335 CA GLU A 77 -8.115 12.395 -19.246 1.00 0.00 C ATOM 1336 C GLU A 77 -7.564 12.794 -20.615 1.00 0.00 C ATOM 1337 O GLU A 77 -7.166 11.958 -21.403 1.00 0.00 O ATOM 1338 CB GLU A 77 -7.237 11.295 -18.644 1.00 0.00 C ATOM 1339 CG GLU A 77 -5.860 11.869 -18.304 1.00 0.00 C ATOM 1340 CD GLU A 77 -5.307 11.169 -17.062 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -4.851 10.046 -17.192 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -5.348 11.769 -16.000 1.00 0.00 O ATOM 0 H GLU A 77 -10.206 12.362 -18.824 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.114 13.264 -18.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.706 10.891 -17.747 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.135 10.470 -19.349 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.180 11.732 -19.145 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.935 12.942 -18.126 1.00 0.00 H new ATOM 1349 N GLY A 78 -7.536 14.065 -20.905 1.00 0.00 N ATOM 1350 CA GLY A 78 -7.010 14.518 -22.225 1.00 0.00 C ATOM 1351 C GLY A 78 -7.110 16.040 -22.321 1.00 0.00 C ATOM 1352 O GLY A 78 -6.137 16.721 -22.577 1.00 0.00 O ATOM 0 H GLY A 78 -7.854 14.810 -20.286 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.973 14.203 -22.342 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.577 14.054 -23.032 1.00 0.00 H new ATOM 1356 N HIS A 79 -8.280 16.582 -22.115 1.00 0.00 N ATOM 1357 CA HIS A 79 -8.438 18.062 -22.194 1.00 0.00 C ATOM 1358 C HIS A 79 -9.642 18.494 -21.353 1.00 0.00 C ATOM 1359 O HIS A 79 -10.646 17.812 -21.308 1.00 0.00 O ATOM 1360 CB HIS A 79 -8.661 18.472 -23.651 1.00 0.00 C ATOM 1361 CG HIS A 79 -7.336 18.784 -24.291 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -6.436 19.676 -23.727 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -6.743 18.333 -25.443 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -5.361 19.732 -24.533 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -5.497 18.932 -25.595 1.00 0.00 N ATOM 0 H HIS A 79 -9.131 16.065 -21.896 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.538 18.544 -21.813 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.159 17.669 -24.194 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.315 19.343 -23.699 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.178 17.621 -26.128 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.494 20.348 -24.345 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.830 18.791 -26.354 1.00 0.00 H new ATOM 1373 N PRO A 80 -9.497 19.621 -20.710 1.00 0.00 N ATOM 1374 CA PRO A 80 -10.610 20.118 -19.871 1.00 0.00 C ATOM 1375 C PRO A 80 -11.941 19.965 -20.615 1.00 0.00 C ATOM 1376 O PRO A 80 -12.960 19.875 -19.952 1.00 0.00 O ATOM 1377 CB PRO A 80 -10.307 21.599 -19.615 1.00 0.00 C ATOM 1378 CG PRO A 80 -8.980 21.934 -20.327 1.00 0.00 C ATOM 1379 CD PRO A 80 -8.481 20.653 -21.008 1.00 0.00 C ATOM 1380 OXT PRO A 80 -11.915 19.943 -21.835 1.00 0.00 O ATOM 0 HA PRO A 80 -10.696 19.560 -18.939 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.114 22.226 -19.994 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.228 21.794 -18.546 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.129 22.725 -21.062 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.243 22.299 -19.611 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.373 20.797 -22.083 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.503 20.362 -20.626 1.00 0.00 H new TER 1388 PRO A 80