USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 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 8 GLN : amide:sc= 0.285 K(o=1.4,f=-4.9!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.592) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.906 K(o=2.3,f=-9.6!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -165:sc= 1.38 (180deg=-0.527) USER MOD Set 3.1: A 18 ASN : amide:sc= 0.199 K(o=2.4,f=-13!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 159:sc= 2.23 (180deg=-0.449) USER MOD Set 4.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.23 (180deg=0.879) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.03) USER MOD Single : A 11 ASN : amide:sc= -0.0672 X(o=-0.067,f=-0.1) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00363 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 26 THR OG1 : rot 92:sc= -0.125 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 1.24 (180deg=0.966) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.13 (180deg=1.07) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -27:sc= 0.546 USER MOD Single : A 50 GLN : amide:sc= 0.461 K(o=0.46,f=-0.74) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00564) USER MOD Single : A 54 SER OG : rot 180:sc= -0.011 USER MOD Single : A 58 GLN : amide:sc= -1.54 K(o=-1.5,f=-6!) USER MOD Single : A 60 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : A 61 HIS : no HE2:sc= 0.892 K(o=0.89,f=-3.5!) USER MOD Single : A 65 THR OG1 : rot -83:sc= 1.2 USER MOD Single : A 66 SER OG : rot 87:sc= 1.1 USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0735 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 1.09 K(o=1.1,f=-2.5!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0944 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 91 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-0.21) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 93 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 94 HIS : no HE2:sc= 0.173 K(o=0.17,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.922 31.186 -0.343 1.00 0.00 N ATOM 2 CA MET A 1 7.553 29.861 -0.890 1.00 0.00 C ATOM 3 C MET A 1 6.260 29.964 -1.680 1.00 0.00 C ATOM 4 O MET A 1 5.220 30.345 -1.136 1.00 0.00 O ATOM 5 CB MET A 1 7.391 28.828 0.232 1.00 0.00 C ATOM 6 CG MET A 1 8.695 28.445 0.913 1.00 0.00 C ATOM 7 SD MET A 1 9.436 29.807 1.833 1.00 0.00 S ATOM 8 CE MET A 1 10.965 29.046 2.370 1.00 0.00 C ATOM 0 H1 MET A 1 8.707 31.077 0.331 1.00 0.00 H new ATOM 0 H2 MET A 1 8.216 31.812 -1.119 1.00 0.00 H new ATOM 0 H3 MET A 1 7.102 31.601 0.144 1.00 0.00 H new ATOM 0 HA MET A 1 8.356 29.532 -1.549 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.705 29.224 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.930 27.930 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.513 27.612 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.402 28.095 0.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.542 29.762 2.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.741 28.173 2.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.544 28.739 1.499 1.00 0.00 H new ATOM 20 N PRO A 2 6.307 29.640 -2.977 1.00 0.00 N ATOM 21 CA PRO A 2 5.135 29.687 -3.846 1.00 0.00 C ATOM 22 C PRO A 2 4.247 28.458 -3.687 1.00 0.00 C ATOM 23 O PRO A 2 4.508 27.591 -2.848 1.00 0.00 O ATOM 24 CB PRO A 2 5.745 29.719 -5.244 1.00 0.00 C ATOM 25 CG PRO A 2 7.019 28.960 -5.109 1.00 0.00 C ATOM 26 CD PRO A 2 7.515 29.209 -3.708 1.00 0.00 C ATOM 0 HA PRO A 2 4.490 30.537 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.083 29.258 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.925 30.742 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.857 27.896 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.750 29.294 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.947 28.309 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.289 29.976 -3.688 1.00 0.00 H new ATOM 34 N ASP A 3 3.206 28.388 -4.501 1.00 0.00 N ATOM 35 CA ASP A 3 2.293 27.255 -4.495 1.00 0.00 C ATOM 36 C ASP A 3 2.948 26.047 -5.155 1.00 0.00 C ATOM 37 O ASP A 3 3.799 26.197 -6.036 1.00 0.00 O ATOM 38 CB ASP A 3 0.992 27.617 -5.224 1.00 0.00 C ATOM 39 CG ASP A 3 1.219 28.027 -6.668 1.00 0.00 C ATOM 40 OD1 ASP A 3 1.872 29.071 -6.893 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.723 27.332 -7.584 1.00 0.00 O ATOM 0 H ASP A 3 2.970 29.111 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 3 2.056 27.003 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.316 26.763 -5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.499 28.431 -4.694 1.00 0.00 H new ATOM 46 N PRO A 4 2.580 24.834 -4.720 1.00 0.00 N ATOM 47 CA PRO A 4 3.120 23.600 -5.288 1.00 0.00 C ATOM 48 C PRO A 4 2.580 23.326 -6.689 1.00 0.00 C ATOM 49 O PRO A 4 1.903 24.166 -7.284 1.00 0.00 O ATOM 50 CB PRO A 4 2.649 22.524 -4.308 1.00 0.00 C ATOM 51 CG PRO A 4 1.408 23.082 -3.702 1.00 0.00 C ATOM 52 CD PRO A 4 1.615 24.569 -3.635 1.00 0.00 C ATOM 0 HA PRO A 4 4.203 23.641 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.451 21.582 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.404 22.322 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.534 22.836 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.237 22.666 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.682 25.111 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.007 24.876 -2.666 1.00 0.00 H new ATOM 60 N LEU A 5 2.873 22.147 -7.212 1.00 0.00 N ATOM 61 CA LEU A 5 2.428 21.786 -8.548 1.00 0.00 C ATOM 62 C LEU A 5 0.932 21.464 -8.532 1.00 0.00 C ATOM 63 O LEU A 5 0.351 21.276 -7.464 1.00 0.00 O ATOM 64 CB LEU A 5 3.261 20.614 -9.102 1.00 0.00 C ATOM 65 CG LEU A 5 2.921 19.192 -8.615 1.00 0.00 C ATOM 66 CD1 LEU A 5 3.966 18.218 -9.129 1.00 0.00 C ATOM 67 CD2 LEU A 5 2.840 19.093 -7.099 1.00 0.00 C ATOM 0 H LEU A 5 3.415 21.426 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 5 2.581 22.633 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.172 20.625 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.307 20.807 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 5 1.936 18.943 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.726 17.212 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.975 18.236 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.948 18.506 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.598 18.069 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.799 19.373 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.065 19.765 -6.731 1.00 0.00 H new ATOM 79 N MET A 6 0.321 21.398 -9.713 1.00 0.00 N ATOM 80 CA MET A 6 -1.132 21.202 -9.846 1.00 0.00 C ATOM 81 C MET A 6 -1.542 19.762 -9.530 1.00 0.00 C ATOM 82 O MET A 6 -2.392 19.189 -10.218 1.00 0.00 O ATOM 83 CB MET A 6 -1.573 21.543 -11.272 1.00 0.00 C ATOM 84 CG MET A 6 -1.317 22.985 -11.672 1.00 0.00 C ATOM 85 SD MET A 6 -1.713 23.304 -13.405 1.00 0.00 S ATOM 86 CE MET A 6 -1.228 25.023 -13.539 1.00 0.00 C ATOM 0 H MET A 6 0.811 21.478 -10.604 1.00 0.00 H new ATOM 0 HA MET A 6 -1.619 21.863 -9.129 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.052 20.886 -11.969 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.638 21.333 -11.371 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.911 23.645 -11.040 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.270 23.228 -11.491 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.410 25.374 -14.555 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.811 25.621 -12.838 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.168 25.121 -13.306 1.00 0.00 H new ATOM 96 N TYR A 7 -0.963 19.203 -8.471 1.00 0.00 N ATOM 97 CA TYR A 7 -1.148 17.800 -8.121 1.00 0.00 C ATOM 98 C TYR A 7 -0.885 16.905 -9.319 1.00 0.00 C ATOM 99 O TYR A 7 -1.759 16.178 -9.799 1.00 0.00 O ATOM 100 CB TYR A 7 -2.529 17.551 -7.523 1.00 0.00 C ATOM 101 CG TYR A 7 -2.560 17.758 -6.025 1.00 0.00 C ATOM 102 CD1 TYR A 7 -2.095 16.767 -5.170 1.00 0.00 C ATOM 103 CD2 TYR A 7 -3.031 18.940 -5.464 1.00 0.00 C ATOM 104 CE1 TYR A 7 -2.101 16.941 -3.801 1.00 0.00 C ATOM 105 CE2 TYR A 7 -3.036 19.125 -4.092 1.00 0.00 C ATOM 106 CZ TYR A 7 -2.570 18.120 -3.265 1.00 0.00 C ATOM 107 OH TYR A 7 -2.562 18.295 -1.898 1.00 0.00 O ATOM 0 H TYR A 7 -0.352 19.711 -7.832 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.418 17.547 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.250 18.219 -7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.842 16.532 -7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.722 15.842 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.398 19.725 -6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.740 16.156 -3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.402 20.049 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.923 19.179 -1.679 1.00 0.00 H new ATOM 117 N GLN A 8 0.335 17.009 -9.802 1.00 0.00 N ATOM 118 CA GLN A 8 0.818 16.202 -10.901 1.00 0.00 C ATOM 119 C GLN A 8 1.211 14.823 -10.392 1.00 0.00 C ATOM 120 O GLN A 8 1.664 14.677 -9.253 1.00 0.00 O ATOM 121 CB GLN A 8 2.020 16.902 -11.537 1.00 0.00 C ATOM 122 CG GLN A 8 2.771 16.069 -12.554 1.00 0.00 C ATOM 123 CD GLN A 8 4.141 16.637 -12.862 1.00 0.00 C ATOM 124 OE1 GLN A 8 5.135 16.263 -12.235 1.00 0.00 O ATOM 125 NE2 GLN A 8 4.212 17.544 -13.821 1.00 0.00 N ATOM 0 H GLN A 8 1.027 17.664 -9.438 1.00 0.00 H new ATOM 0 HA GLN A 8 0.035 16.081 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.677 17.817 -12.019 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.711 17.197 -10.747 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.878 15.051 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.189 16.011 -13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.368 17.828 -14.318 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.111 17.960 -14.064 1.00 0.00 H new ATOM 134 N GLN A 9 1.013 13.820 -11.222 1.00 0.00 N ATOM 135 CA GLN A 9 1.402 12.467 -10.881 1.00 0.00 C ATOM 136 C GLN A 9 2.843 12.222 -11.307 1.00 0.00 C ATOM 137 O GLN A 9 3.209 12.467 -12.461 1.00 0.00 O ATOM 138 CB GLN A 9 0.475 11.457 -11.558 1.00 0.00 C ATOM 139 CG GLN A 9 -0.989 11.624 -11.184 1.00 0.00 C ATOM 140 CD GLN A 9 -1.895 10.632 -11.891 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.057 10.925 -12.166 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.370 9.453 -12.192 1.00 0.00 N ATOM 0 H GLN A 9 0.583 13.917 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 9 1.321 12.340 -9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.578 11.551 -12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.796 10.449 -11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.099 11.505 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.308 12.637 -11.427 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.401 9.248 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.935 8.750 -12.669 1.00 0.00 H new ATOM 151 N ASP A 10 3.665 11.770 -10.375 1.00 0.00 N ATOM 152 CA ASP A 10 5.038 11.427 -10.694 1.00 0.00 C ATOM 153 C ASP A 10 5.212 9.917 -10.590 1.00 0.00 C ATOM 154 O ASP A 10 4.229 9.174 -10.655 1.00 0.00 O ATOM 155 CB ASP A 10 6.028 12.160 -9.779 1.00 0.00 C ATOM 156 CG ASP A 10 7.317 12.514 -10.509 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.555 11.950 -11.599 1.00 0.00 O ATOM 158 OD2 ASP A 10 8.074 13.375 -10.020 1.00 0.00 O ATOM 0 H ASP A 10 3.407 11.633 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 10 5.254 11.746 -11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.565 13.070 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.259 11.534 -8.917 1.00 0.00 H new ATOM 163 N ASN A 11 6.440 9.464 -10.420 1.00 0.00 N ATOM 164 CA ASN A 11 6.732 8.043 -10.502 1.00 0.00 C ATOM 165 C ASN A 11 7.133 7.465 -9.152 1.00 0.00 C ATOM 166 O ASN A 11 7.896 8.068 -8.395 1.00 0.00 O ATOM 167 CB ASN A 11 7.836 7.801 -11.531 1.00 0.00 C ATOM 168 CG ASN A 11 7.423 8.241 -12.923 1.00 0.00 C ATOM 169 OD1 ASN A 11 6.917 7.448 -13.717 1.00 0.00 O ATOM 170 ND2 ASN A 11 7.616 9.518 -13.227 1.00 0.00 N ATOM 0 H ASN A 11 7.248 10.055 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 11 5.821 7.532 -10.815 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.735 8.341 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.091 6.741 -11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.342 9.871 -14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.038 10.147 -12.544 1.00 0.00 H new ATOM 177 N PHE A 12 6.596 6.294 -8.850 1.00 0.00 N ATOM 178 CA PHE A 12 6.964 5.557 -7.655 1.00 0.00 C ATOM 179 C PHE A 12 7.596 4.235 -8.056 1.00 0.00 C ATOM 180 O PHE A 12 6.990 3.456 -8.798 1.00 0.00 O ATOM 181 CB PHE A 12 5.736 5.300 -6.777 1.00 0.00 C ATOM 182 CG PHE A 12 5.121 6.546 -6.203 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.271 7.334 -6.962 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.388 6.922 -4.895 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.704 8.475 -6.431 1.00 0.00 C ATOM 186 CE2 PHE A 12 4.820 8.062 -4.358 1.00 0.00 C ATOM 187 CZ PHE A 12 3.976 8.839 -5.126 1.00 0.00 C ATOM 0 H PHE A 12 5.894 5.829 -9.426 1.00 0.00 H new ATOM 0 HA PHE A 12 7.678 6.149 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.984 4.775 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.019 4.638 -5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.049 7.052 -7.981 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.047 6.317 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.048 9.083 -7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.036 8.345 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.529 9.729 -4.708 1.00 0.00 H new ATOM 197 N VAL A 13 8.809 3.982 -7.589 1.00 0.00 N ATOM 198 CA VAL A 13 9.486 2.736 -7.908 1.00 0.00 C ATOM 199 C VAL A 13 9.078 1.665 -6.908 1.00 0.00 C ATOM 200 O VAL A 13 9.382 1.763 -5.719 1.00 0.00 O ATOM 201 CB VAL A 13 11.020 2.888 -7.906 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.684 1.568 -8.274 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.452 3.995 -8.859 1.00 0.00 C ATOM 0 H VAL A 13 9.340 4.617 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 13 9.186 2.447 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 13 11.339 3.164 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.767 1.691 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.402 0.804 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.359 1.262 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.538 4.086 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.123 3.754 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.004 4.939 -8.547 1.00 0.00 H new ATOM 213 N VAL A 14 8.373 0.659 -7.397 1.00 0.00 N ATOM 214 CA VAL A 14 7.834 -0.381 -6.540 1.00 0.00 C ATOM 215 C VAL A 14 8.570 -1.693 -6.758 1.00 0.00 C ATOM 216 O VAL A 14 8.673 -2.186 -7.882 1.00 0.00 O ATOM 217 CB VAL A 14 6.324 -0.584 -6.786 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.766 -1.680 -5.890 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.577 0.721 -6.562 1.00 0.00 C ATOM 0 H VAL A 14 8.160 0.541 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 14 7.976 -0.060 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 14 6.185 -0.896 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.700 -1.802 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.282 -2.617 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.915 -1.407 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.513 0.566 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.730 1.056 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.952 1.478 -7.251 1.00 0.00 H new ATOM 229 N LEU A 15 9.085 -2.242 -5.675 1.00 0.00 N ATOM 230 CA LEU A 15 9.814 -3.493 -5.715 1.00 0.00 C ATOM 231 C LEU A 15 8.882 -4.637 -5.358 1.00 0.00 C ATOM 232 O LEU A 15 8.384 -4.720 -4.234 1.00 0.00 O ATOM 233 CB LEU A 15 10.997 -3.436 -4.749 1.00 0.00 C ATOM 234 CG LEU A 15 11.917 -2.230 -4.939 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.053 -2.256 -3.936 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.460 -2.195 -6.354 1.00 0.00 C ATOM 0 H LEU A 15 9.009 -1.833 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 15 10.200 -3.659 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.615 -3.428 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.585 -4.347 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 15 11.333 -1.326 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.695 -1.388 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.646 -2.231 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.636 -3.167 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.113 -1.330 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.026 -3.106 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.632 -2.124 -7.060 1.00 0.00 H new ATOM 248 N GLU A 16 8.633 -5.497 -6.327 1.00 0.00 N ATOM 249 CA GLU A 16 7.690 -6.586 -6.160 1.00 0.00 C ATOM 250 C GLU A 16 8.300 -7.908 -6.586 1.00 0.00 C ATOM 251 O GLU A 16 9.238 -7.945 -7.386 1.00 0.00 O ATOM 252 CB GLU A 16 6.431 -6.307 -6.967 1.00 0.00 C ATOM 253 CG GLU A 16 5.219 -5.997 -6.113 1.00 0.00 C ATOM 254 CD GLU A 16 4.524 -7.241 -5.595 1.00 0.00 C ATOM 255 OE1 GLU A 16 5.197 -8.275 -5.387 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.294 -7.185 -5.396 1.00 0.00 O ATOM 0 H GLU A 16 9.075 -5.461 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 16 7.434 -6.658 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.617 -5.467 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.212 -7.172 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.525 -5.380 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.511 -5.409 -6.697 1.00 0.00 H new ATOM 263 N THR A 17 7.767 -8.985 -6.040 1.00 0.00 N ATOM 264 CA THR A 17 8.267 -10.312 -6.327 1.00 0.00 C ATOM 265 C THR A 17 7.366 -11.046 -7.321 1.00 0.00 C ATOM 266 O THR A 17 7.798 -11.388 -8.422 1.00 0.00 O ATOM 267 CB THR A 17 8.404 -11.137 -5.036 1.00 0.00 C ATOM 268 OG1 THR A 17 9.195 -10.410 -4.084 1.00 0.00 O ATOM 269 CG2 THR A 17 9.054 -12.482 -5.318 1.00 0.00 C ATOM 0 H THR A 17 6.981 -8.963 -5.390 1.00 0.00 H new ATOM 0 HA THR A 17 9.252 -10.197 -6.779 1.00 0.00 H new ATOM 0 HB THR A 17 7.408 -11.314 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.281 -10.935 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.140 -13.046 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.442 -13.040 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.047 -12.325 -5.740 1.00 0.00 H new ATOM 277 N ASN A 18 6.107 -11.263 -6.948 1.00 0.00 N ATOM 278 CA ASN A 18 5.218 -12.092 -7.762 1.00 0.00 C ATOM 279 C ASN A 18 4.235 -11.265 -8.587 1.00 0.00 C ATOM 280 O ASN A 18 3.496 -11.813 -9.406 1.00 0.00 O ATOM 281 CB ASN A 18 4.466 -13.119 -6.899 1.00 0.00 C ATOM 282 CG ASN A 18 3.640 -12.508 -5.780 1.00 0.00 C ATOM 283 OD1 ASN A 18 3.150 -11.383 -5.878 1.00 0.00 O ATOM 284 ND2 ASN A 18 3.481 -13.253 -4.697 1.00 0.00 N ATOM 0 H ASN A 18 5.683 -10.884 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 18 5.857 -12.628 -8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.809 -13.705 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.188 -13.811 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.938 -12.899 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.901 -14.181 -4.650 1.00 0.00 H new ATOM 291 N GLN A 19 4.220 -9.954 -8.377 1.00 0.00 N ATOM 292 CA GLN A 19 3.413 -9.068 -9.206 1.00 0.00 C ATOM 293 C GLN A 19 4.343 -8.121 -9.961 1.00 0.00 C ATOM 294 O GLN A 19 4.792 -7.108 -9.425 1.00 0.00 O ATOM 295 CB GLN A 19 2.390 -8.301 -8.354 1.00 0.00 C ATOM 296 CG GLN A 19 1.179 -7.797 -9.136 1.00 0.00 C ATOM 297 CD GLN A 19 1.438 -6.508 -9.891 1.00 0.00 C ATOM 298 OE1 GLN A 19 2.212 -5.663 -9.448 1.00 0.00 O ATOM 299 NE2 GLN A 19 0.794 -6.351 -11.036 1.00 0.00 N ATOM 0 H GLN A 19 4.753 -9.484 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 19 2.843 -9.654 -9.927 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.045 -8.950 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.887 -7.451 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.868 -8.566 -9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.349 -7.644 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.160 -7.078 -11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.932 -5.503 -11.587 1.00 0.00 H new ATOM 308 N PRO A 20 4.665 -8.470 -11.213 1.00 0.00 N ATOM 309 CA PRO A 20 5.727 -7.812 -11.985 1.00 0.00 C ATOM 310 C PRO A 20 5.436 -6.356 -12.338 1.00 0.00 C ATOM 311 O PRO A 20 4.386 -6.037 -12.897 1.00 0.00 O ATOM 312 CB PRO A 20 5.814 -8.648 -13.269 1.00 0.00 C ATOM 313 CG PRO A 20 5.085 -9.913 -12.969 1.00 0.00 C ATOM 314 CD PRO A 20 4.021 -9.542 -11.984 1.00 0.00 C ATOM 0 HA PRO A 20 6.647 -7.770 -11.403 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.361 -8.124 -14.110 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.851 -8.847 -13.539 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.650 -10.339 -13.873 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.758 -10.664 -12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.112 -9.198 -12.478 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.741 -10.385 -11.352 1.00 0.00 H new ATOM 322 N GLU A 21 6.392 -5.493 -12.005 1.00 0.00 N ATOM 323 CA GLU A 21 6.370 -4.087 -12.393 1.00 0.00 C ATOM 324 C GLU A 21 7.635 -3.411 -11.873 1.00 0.00 C ATOM 325 O GLU A 21 8.259 -3.898 -10.931 1.00 0.00 O ATOM 326 CB GLU A 21 5.116 -3.369 -11.863 1.00 0.00 C ATOM 327 CG GLU A 21 4.985 -1.921 -12.328 1.00 0.00 C ATOM 328 CD GLU A 21 5.055 -1.776 -13.838 1.00 0.00 C ATOM 329 OE1 GLU A 21 6.179 -1.683 -14.381 1.00 0.00 O ATOM 330 OE2 GLU A 21 3.993 -1.760 -14.489 1.00 0.00 O ATOM 0 H GLU A 21 7.210 -5.753 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 21 6.336 -4.025 -13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.232 -3.923 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.132 -3.390 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.038 -1.515 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.777 -1.326 -11.874 1.00 0.00 H new ATOM 337 N GLN A 22 8.025 -2.315 -12.502 1.00 0.00 N ATOM 338 CA GLN A 22 9.217 -1.586 -12.093 1.00 0.00 C ATOM 339 C GLN A 22 8.842 -0.284 -11.383 1.00 0.00 C ATOM 340 O GLN A 22 9.253 -0.048 -10.246 1.00 0.00 O ATOM 341 CB GLN A 22 10.120 -1.318 -13.305 1.00 0.00 C ATOM 342 CG GLN A 22 9.383 -0.759 -14.511 1.00 0.00 C ATOM 343 CD GLN A 22 10.258 -0.660 -15.743 1.00 0.00 C ATOM 344 OE1 GLN A 22 11.470 -0.463 -15.650 1.00 0.00 O ATOM 345 NE2 GLN A 22 9.647 -0.796 -16.906 1.00 0.00 N ATOM 0 H GLN A 22 7.534 -1.909 -13.299 1.00 0.00 H new ATOM 0 HA GLN A 22 9.773 -2.200 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.904 -0.618 -13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.613 -2.247 -13.591 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.524 -1.393 -14.732 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.995 0.230 -14.267 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.640 -0.958 -16.937 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.182 -0.739 -17.773 1.00 0.00 H new ATOM 354 N PHE A 23 8.041 0.540 -12.042 1.00 0.00 N ATOM 355 CA PHE A 23 7.581 1.788 -11.455 1.00 0.00 C ATOM 356 C PHE A 23 6.222 2.158 -12.029 1.00 0.00 C ATOM 357 O PHE A 23 5.912 1.820 -13.172 1.00 0.00 O ATOM 358 CB PHE A 23 8.598 2.923 -11.686 1.00 0.00 C ATOM 359 CG PHE A 23 8.814 3.289 -13.129 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.037 4.264 -13.734 1.00 0.00 C ATOM 361 CD2 PHE A 23 9.798 2.662 -13.874 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.239 4.606 -15.056 1.00 0.00 C ATOM 363 CE2 PHE A 23 10.004 3.000 -15.197 1.00 0.00 C ATOM 364 CZ PHE A 23 9.223 3.974 -15.790 1.00 0.00 C ATOM 0 H PHE A 23 7.696 0.366 -12.986 1.00 0.00 H new ATOM 0 HA PHE A 23 7.485 1.648 -10.378 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.262 3.809 -11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.554 2.630 -11.253 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.265 4.761 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.411 1.900 -13.416 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.627 5.368 -15.516 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.775 2.504 -15.768 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.382 4.240 -16.825 1.00 0.00 H new ATOM 374 N LEU A 24 5.414 2.833 -11.231 1.00 0.00 N ATOM 375 CA LEU A 24 4.075 3.223 -11.646 1.00 0.00 C ATOM 376 C LEU A 24 3.690 4.548 -10.996 1.00 0.00 C ATOM 377 O LEU A 24 4.380 5.025 -10.093 1.00 0.00 O ATOM 378 CB LEU A 24 3.039 2.125 -11.325 1.00 0.00 C ATOM 379 CG LEU A 24 3.044 1.558 -9.893 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.738 0.837 -9.607 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.198 0.588 -9.693 1.00 0.00 C ATOM 0 H LEU A 24 5.662 3.125 -10.286 1.00 0.00 H new ATOM 0 HA LEU A 24 4.079 3.353 -12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.046 2.526 -11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.196 1.298 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 24 3.161 2.396 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.756 0.441 -8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.907 1.535 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.613 0.017 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.177 0.203 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.103 -0.240 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.142 1.105 -9.867 1.00 0.00 H new ATOM 393 N THR A 25 2.604 5.148 -11.470 1.00 0.00 N ATOM 394 CA THR A 25 2.172 6.453 -10.988 1.00 0.00 C ATOM 395 C THR A 25 1.382 6.350 -9.685 1.00 0.00 C ATOM 396 O THR A 25 0.979 5.258 -9.277 1.00 0.00 O ATOM 397 CB THR A 25 1.324 7.176 -12.050 1.00 0.00 C ATOM 398 OG1 THR A 25 0.445 6.245 -12.690 1.00 0.00 O ATOM 399 CG2 THR A 25 2.210 7.839 -13.089 1.00 0.00 C ATOM 0 H THR A 25 2.004 4.748 -12.192 1.00 0.00 H new ATOM 0 HA THR A 25 3.075 7.031 -10.792 1.00 0.00 H new ATOM 0 HB THR A 25 0.737 7.947 -11.552 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.093 6.712 -13.363 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.588 8.343 -13.829 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.859 8.568 -12.603 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.820 7.083 -13.583 1.00 0.00 H new ATOM 407 N THR A 26 1.164 7.502 -9.054 1.00 0.00 N ATOM 408 CA THR A 26 0.484 7.596 -7.763 1.00 0.00 C ATOM 409 C THR A 26 -0.820 6.797 -7.729 1.00 0.00 C ATOM 410 O THR A 26 -1.034 5.975 -6.838 1.00 0.00 O ATOM 411 CB THR A 26 0.164 9.068 -7.455 1.00 0.00 C ATOM 412 OG1 THR A 26 1.192 9.908 -8.005 1.00 0.00 O ATOM 413 CG2 THR A 26 0.059 9.302 -5.955 1.00 0.00 C ATOM 0 H THR A 26 1.457 8.405 -9.427 1.00 0.00 H new ATOM 0 HA THR A 26 1.158 7.177 -7.016 1.00 0.00 H new ATOM 0 HB THR A 26 -0.797 9.314 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.938 10.186 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.168 10.351 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.735 8.679 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.005 9.044 -5.479 1.00 0.00 H new ATOM 421 N ILE A 27 -1.679 7.040 -8.711 1.00 0.00 N ATOM 422 CA ILE A 27 -2.995 6.412 -8.761 1.00 0.00 C ATOM 423 C ILE A 27 -2.884 4.889 -8.839 1.00 0.00 C ATOM 424 O ILE A 27 -3.588 4.166 -8.128 1.00 0.00 O ATOM 425 CB ILE A 27 -3.803 6.934 -9.969 1.00 0.00 C ATOM 426 CG1 ILE A 27 -3.985 8.453 -9.871 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.154 6.236 -10.062 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.665 8.907 -8.595 1.00 0.00 C ATOM 0 H ILE A 27 -1.487 7.672 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.515 6.674 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.245 6.709 -10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.008 8.932 -9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.570 8.795 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.704 6.621 -10.921 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.002 5.163 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.724 6.424 -9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.758 9.993 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.656 8.458 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.070 8.597 -7.736 1.00 0.00 H new ATOM 440 N GLU A 28 -1.976 4.414 -9.682 1.00 0.00 N ATOM 441 CA GLU A 28 -1.802 2.983 -9.897 1.00 0.00 C ATOM 442 C GLU A 28 -1.289 2.313 -8.629 1.00 0.00 C ATOM 443 O GLU A 28 -1.723 1.216 -8.268 1.00 0.00 O ATOM 444 CB GLU A 28 -0.819 2.735 -11.043 1.00 0.00 C ATOM 445 CG GLU A 28 -1.027 3.633 -12.251 1.00 0.00 C ATOM 446 CD GLU A 28 -2.430 3.570 -12.809 1.00 0.00 C ATOM 447 OE1 GLU A 28 -2.685 2.716 -13.681 1.00 0.00 O ATOM 448 OE2 GLU A 28 -3.273 4.391 -12.396 1.00 0.00 O ATOM 0 H GLU A 28 -1.347 5.001 -10.230 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.770 2.555 -10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.196 2.875 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.903 1.695 -11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.800 4.662 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.320 3.350 -13.031 1.00 0.00 H new ATOM 455 N LEU A 29 -0.354 2.984 -7.962 1.00 0.00 N ATOM 456 CA LEU A 29 0.211 2.484 -6.716 1.00 0.00 C ATOM 457 C LEU A 29 -0.864 2.391 -5.643 1.00 0.00 C ATOM 458 O LEU A 29 -0.910 1.425 -4.883 1.00 0.00 O ATOM 459 CB LEU A 29 1.347 3.392 -6.236 1.00 0.00 C ATOM 460 CG LEU A 29 1.952 3.016 -4.880 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.586 1.634 -4.938 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.972 4.057 -4.448 1.00 0.00 C ATOM 0 H LEU A 29 0.029 3.879 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 29 0.612 1.488 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.139 3.383 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.974 4.415 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 29 1.151 2.991 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.010 1.387 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.828 0.897 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.375 1.627 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.393 3.775 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.770 4.114 -5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.486 5.029 -4.362 1.00 0.00 H new ATOM 474 N LEU A 30 -1.725 3.399 -5.601 1.00 0.00 N ATOM 475 CA LEU A 30 -2.805 3.448 -4.630 1.00 0.00 C ATOM 476 C LEU A 30 -3.676 2.199 -4.749 1.00 0.00 C ATOM 477 O LEU A 30 -3.902 1.494 -3.765 1.00 0.00 O ATOM 478 CB LEU A 30 -3.652 4.704 -4.857 1.00 0.00 C ATOM 479 CG LEU A 30 -4.061 5.469 -3.594 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.923 6.663 -3.961 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.792 4.565 -2.615 1.00 0.00 C ATOM 0 H LEU A 30 -1.694 4.198 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.379 3.483 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.097 5.382 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.556 4.418 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.154 5.825 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.207 7.199 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.362 7.330 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.820 6.320 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.069 5.137 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.691 4.169 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.141 3.740 -2.325 1.00 0.00 H new ATOM 493 N GLU A 31 -4.136 1.921 -5.967 1.00 0.00 N ATOM 494 CA GLU A 31 -5.004 0.777 -6.223 1.00 0.00 C ATOM 495 C GLU A 31 -4.277 -0.544 -5.982 1.00 0.00 C ATOM 496 O GLU A 31 -4.892 -1.535 -5.580 1.00 0.00 O ATOM 497 CB GLU A 31 -5.557 0.834 -7.647 1.00 0.00 C ATOM 498 CG GLU A 31 -6.405 2.066 -7.922 1.00 0.00 C ATOM 499 CD GLU A 31 -7.582 2.198 -6.976 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.433 1.282 -6.941 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.681 3.229 -6.279 1.00 0.00 O ATOM 0 H GLU A 31 -3.920 2.476 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.836 0.828 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.726 0.811 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.156 -0.058 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.780 2.956 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.773 2.026 -8.947 1.00 0.00 H new ATOM 508 N LYS A 32 -2.970 -0.559 -6.217 1.00 0.00 N ATOM 509 CA LYS A 32 -2.171 -1.749 -5.950 1.00 0.00 C ATOM 510 C LYS A 32 -2.087 -2.006 -4.448 1.00 0.00 C ATOM 511 O LYS A 32 -2.345 -3.121 -3.985 1.00 0.00 O ATOM 512 CB LYS A 32 -0.761 -1.612 -6.537 1.00 0.00 C ATOM 513 CG LYS A 32 0.147 -2.785 -6.200 1.00 0.00 C ATOM 514 CD LYS A 32 1.544 -2.600 -6.768 1.00 0.00 C ATOM 515 CE LYS A 32 2.496 -3.678 -6.273 1.00 0.00 C ATOM 516 NZ LYS A 32 2.094 -5.040 -6.725 1.00 0.00 N ATOM 0 H LYS A 32 -2.445 0.232 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.661 -2.596 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.834 -1.517 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.308 -0.693 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.207 -2.899 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.286 -3.705 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.501 -2.624 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.926 -1.619 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.503 -3.462 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.532 -3.655 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.606 -5.755 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.070 -5.163 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.325 -5.154 -7.733 1.00 0.00 H new ATOM 530 N LEU A 33 -1.744 -0.964 -3.693 1.00 0.00 N ATOM 531 CA LEU A 33 -1.596 -1.070 -2.245 1.00 0.00 C ATOM 532 C LEU A 33 -2.880 -1.555 -1.590 1.00 0.00 C ATOM 533 O LEU A 33 -2.859 -2.490 -0.800 1.00 0.00 O ATOM 534 CB LEU A 33 -1.187 0.274 -1.638 1.00 0.00 C ATOM 535 CG LEU A 33 0.246 0.718 -1.937 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.513 2.081 -1.327 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.243 -0.298 -1.402 1.00 0.00 C ATOM 0 H LEU A 33 -1.563 -0.031 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.811 -1.801 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.871 1.041 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.315 0.220 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 33 0.366 0.786 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.536 2.384 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.180 2.810 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.375 2.030 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.257 0.035 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.121 -0.394 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.067 -1.264 -1.875 1.00 0.00 H new ATOM 549 N LYS A 34 -3.999 -0.932 -1.936 1.00 0.00 N ATOM 550 CA LYS A 34 -5.282 -1.278 -1.329 1.00 0.00 C ATOM 551 C LYS A 34 -5.703 -2.708 -1.674 1.00 0.00 C ATOM 552 O LYS A 34 -6.472 -3.319 -0.942 1.00 0.00 O ATOM 553 CB LYS A 34 -6.367 -0.272 -1.735 1.00 0.00 C ATOM 554 CG LYS A 34 -6.457 -0.024 -3.230 1.00 0.00 C ATOM 555 CD LYS A 34 -7.329 1.182 -3.548 1.00 0.00 C ATOM 556 CE LYS A 34 -8.809 0.849 -3.493 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.235 -0.021 -4.624 1.00 0.00 N ATOM 0 H LYS A 34 -4.047 -0.187 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.158 -1.228 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.332 -0.632 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.175 0.676 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.457 0.133 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.864 -0.907 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.112 1.982 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.079 1.557 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.032 0.350 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.388 1.772 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.273 -0.029 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.840 0.347 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.890 -0.989 -4.466 1.00 0.00 H new ATOM 571 N GLY A 35 -5.170 -3.251 -2.764 1.00 0.00 N ATOM 572 CA GLY A 35 -5.490 -4.616 -3.133 1.00 0.00 C ATOM 573 C GLY A 35 -4.610 -5.601 -2.399 1.00 0.00 C ATOM 574 O GLY A 35 -5.079 -6.601 -1.849 1.00 0.00 O ATOM 0 H GLY A 35 -4.526 -2.773 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.537 -4.821 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.365 -4.744 -4.208 1.00 0.00 H new ATOM 578 N GLU A 36 -3.325 -5.295 -2.369 1.00 0.00 N ATOM 579 CA GLU A 36 -2.357 -6.105 -1.657 1.00 0.00 C ATOM 580 C GLU A 36 -2.665 -6.081 -0.157 1.00 0.00 C ATOM 581 O GLU A 36 -2.412 -7.044 0.567 1.00 0.00 O ATOM 582 CB GLU A 36 -0.957 -5.558 -1.932 1.00 0.00 C ATOM 583 CG GLU A 36 0.166 -6.528 -1.621 1.00 0.00 C ATOM 584 CD GLU A 36 0.159 -7.744 -2.526 1.00 0.00 C ATOM 585 OE1 GLU A 36 -0.026 -7.585 -3.750 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.340 -8.870 -2.021 1.00 0.00 O ATOM 0 H GLU A 36 -2.926 -4.481 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.409 -7.139 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.892 -5.270 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.812 -4.652 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.122 -6.013 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.083 -6.852 -0.584 1.00 0.00 H new ATOM 593 N LEU A 37 -3.241 -4.970 0.285 1.00 0.00 N ATOM 594 CA LEU A 37 -3.613 -4.771 1.678 1.00 0.00 C ATOM 595 C LEU A 37 -4.868 -5.564 2.045 1.00 0.00 C ATOM 596 O LEU A 37 -4.940 -6.147 3.123 1.00 0.00 O ATOM 597 CB LEU A 37 -3.831 -3.275 1.927 1.00 0.00 C ATOM 598 CG LEU A 37 -4.233 -2.876 3.345 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.161 -3.278 4.349 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.483 -1.378 3.407 1.00 0.00 C ATOM 0 H LEU A 37 -3.464 -4.178 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.805 -5.138 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.912 -2.748 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.602 -2.923 1.241 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.151 -3.402 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.472 -2.982 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.019 -4.358 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.224 -2.781 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.770 -1.099 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.574 -0.846 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.285 -1.114 2.718 1.00 0.00 H new ATOM 612 N GLU A 38 -5.852 -5.602 1.146 1.00 0.00 N ATOM 613 CA GLU A 38 -7.093 -6.328 1.420 1.00 0.00 C ATOM 614 C GLU A 38 -6.866 -7.837 1.355 1.00 0.00 C ATOM 615 O GLU A 38 -7.706 -8.625 1.799 1.00 0.00 O ATOM 616 CB GLU A 38 -8.217 -5.892 0.468 1.00 0.00 C ATOM 617 CG GLU A 38 -7.895 -6.062 -1.006 1.00 0.00 C ATOM 618 CD GLU A 38 -8.657 -7.193 -1.660 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.322 -7.973 -0.944 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.608 -7.303 -2.905 1.00 0.00 O ATOM 0 H GLU A 38 -5.816 -5.146 0.234 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.409 -6.080 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.115 -6.465 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.450 -4.844 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.119 -5.132 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.826 -6.241 -1.119 1.00 0.00 H new ATOM 627 N LYS A 39 -5.726 -8.236 0.795 1.00 0.00 N ATOM 628 CA LYS A 39 -5.283 -9.626 0.868 1.00 0.00 C ATOM 629 C LYS A 39 -4.969 -9.997 2.313 1.00 0.00 C ATOM 630 O LYS A 39 -5.074 -11.157 2.722 1.00 0.00 O ATOM 631 CB LYS A 39 -4.032 -9.835 0.016 1.00 0.00 C ATOM 632 CG LYS A 39 -4.263 -9.668 -1.471 1.00 0.00 C ATOM 633 CD LYS A 39 -2.957 -9.780 -2.242 1.00 0.00 C ATOM 634 CE LYS A 39 -2.236 -11.087 -1.940 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.867 -11.119 -2.514 1.00 0.00 N ATOM 0 H LYS A 39 -5.094 -7.618 0.287 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.084 -10.261 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.266 -9.129 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.641 -10.835 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.962 -10.427 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.722 -8.698 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.159 -9.714 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.311 -8.940 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.179 -11.227 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.815 -11.920 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.301 -11.840 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.920 -11.352 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.419 -10.188 -2.396 1.00 0.00 H new ATOM 649 N ILE A 40 -4.574 -8.993 3.072 1.00 0.00 N ATOM 650 CA ILE A 40 -4.273 -9.153 4.482 1.00 0.00 C ATOM 651 C ILE A 40 -5.556 -9.046 5.305 1.00 0.00 C ATOM 652 O ILE A 40 -6.469 -8.299 4.953 1.00 0.00 O ATOM 653 CB ILE A 40 -3.257 -8.085 4.947 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.986 -8.163 4.098 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.919 -8.253 6.422 1.00 0.00 C ATOM 656 CD1 ILE A 40 -0.935 -7.147 4.483 1.00 0.00 C ATOM 0 H ILE A 40 -4.452 -8.041 2.727 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.832 -10.138 4.632 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.712 -7.103 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.562 -9.163 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.250 -8.020 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.202 -7.488 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.827 -8.152 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.486 -9.240 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.064 -7.263 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.341 -6.142 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.641 -7.303 5.521 1.00 0.00 H new ATOM 668 N SER A 41 -5.633 -9.817 6.380 1.00 0.00 N ATOM 669 CA SER A 41 -6.792 -9.787 7.258 1.00 0.00 C ATOM 670 C SER A 41 -6.891 -8.442 7.976 1.00 0.00 C ATOM 671 O SER A 41 -5.874 -7.816 8.291 1.00 0.00 O ATOM 672 CB SER A 41 -6.720 -10.945 8.256 1.00 0.00 C ATOM 673 OG SER A 41 -6.766 -12.191 7.578 1.00 0.00 O ATOM 0 H SER A 41 -4.905 -10.472 6.665 1.00 0.00 H new ATOM 0 HA SER A 41 -7.694 -9.906 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.801 -10.875 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.549 -10.877 8.961 1.00 0.00 H new ATOM 0 HG SER A 41 -6.717 -12.921 8.231 1.00 0.00 H new ATOM 679 N PHE A 42 -8.119 -8.012 8.243 1.00 0.00 N ATOM 680 CA PHE A 42 -8.375 -6.673 8.769 1.00 0.00 C ATOM 681 C PHE A 42 -7.774 -6.467 10.155 1.00 0.00 C ATOM 682 O PHE A 42 -7.465 -5.342 10.534 1.00 0.00 O ATOM 683 CB PHE A 42 -9.878 -6.392 8.799 1.00 0.00 C ATOM 684 CG PHE A 42 -10.498 -6.308 7.432 1.00 0.00 C ATOM 685 CD1 PHE A 42 -10.272 -5.205 6.624 1.00 0.00 C ATOM 686 CD2 PHE A 42 -11.294 -7.336 6.949 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.831 -5.125 5.364 1.00 0.00 C ATOM 688 CE2 PHE A 42 -11.856 -7.261 5.688 1.00 0.00 C ATOM 689 CZ PHE A 42 -11.623 -6.155 4.894 1.00 0.00 C ATOM 0 H PHE A 42 -8.959 -8.574 8.103 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.887 -5.967 8.097 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.376 -7.178 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.054 -5.455 9.328 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.651 -4.398 6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.477 -8.204 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.649 -4.258 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.477 -8.066 5.324 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.059 -6.095 3.908 1.00 0.00 H new ATOM 699 N SER A 43 -7.616 -7.541 10.913 1.00 0.00 N ATOM 700 CA SER A 43 -7.011 -7.443 12.234 1.00 0.00 C ATOM 701 C SER A 43 -5.517 -7.760 12.178 1.00 0.00 C ATOM 702 O SER A 43 -4.811 -7.648 13.184 1.00 0.00 O ATOM 703 CB SER A 43 -7.711 -8.386 13.215 1.00 0.00 C ATOM 704 OG SER A 43 -7.175 -8.255 14.522 1.00 0.00 O ATOM 0 H SER A 43 -7.895 -8.483 10.640 1.00 0.00 H new ATOM 0 HA SER A 43 -7.132 -6.417 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.779 -8.169 13.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.601 -9.416 12.875 1.00 0.00 H new ATOM 0 HG SER A 43 -6.244 -7.953 14.465 1.00 0.00 H new ATOM 710 N ASP A 44 -5.034 -8.148 11.005 1.00 0.00 N ATOM 711 CA ASP A 44 -3.632 -8.533 10.851 1.00 0.00 C ATOM 712 C ASP A 44 -2.801 -7.337 10.409 1.00 0.00 C ATOM 713 O ASP A 44 -1.632 -7.204 10.775 1.00 0.00 O ATOM 714 CB ASP A 44 -3.498 -9.673 9.838 1.00 0.00 C ATOM 715 CG ASP A 44 -2.095 -10.242 9.787 1.00 0.00 C ATOM 716 OD1 ASP A 44 -1.744 -11.042 10.679 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.344 -9.915 8.845 1.00 0.00 O ATOM 0 H ASP A 44 -5.586 -8.205 10.149 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.261 -8.880 11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.199 -10.467 10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.776 -9.310 8.848 1.00 0.00 H new ATOM 722 N LEU A 45 -3.421 -6.459 9.635 1.00 0.00 N ATOM 723 CA LEU A 45 -2.765 -5.246 9.166 1.00 0.00 C ATOM 724 C LEU A 45 -2.621 -4.228 10.307 1.00 0.00 C ATOM 725 O LEU A 45 -3.244 -4.389 11.363 1.00 0.00 O ATOM 726 CB LEU A 45 -3.536 -4.665 7.965 1.00 0.00 C ATOM 727 CG LEU A 45 -5.053 -4.511 8.139 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.397 -3.250 8.912 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.743 -4.505 6.784 1.00 0.00 C ATOM 0 H LEU A 45 -4.384 -6.565 9.316 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.757 -5.490 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.118 -3.686 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.354 -5.304 7.101 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.411 -5.364 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.479 -3.172 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.938 -3.292 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.021 -2.380 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.818 -4.395 6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.368 -3.673 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.538 -5.443 6.267 1.00 0.00 H new ATOM 741 N PRO A 46 -1.769 -3.191 10.126 1.00 0.00 N ATOM 742 CA PRO A 46 -1.497 -2.173 11.157 1.00 0.00 C ATOM 743 C PRO A 46 -2.755 -1.623 11.823 1.00 0.00 C ATOM 744 O PRO A 46 -3.804 -1.489 11.192 1.00 0.00 O ATOM 745 CB PRO A 46 -0.786 -1.074 10.375 1.00 0.00 C ATOM 746 CG PRO A 46 -0.076 -1.799 9.291 1.00 0.00 C ATOM 747 CD PRO A 46 -0.978 -2.937 8.903 1.00 0.00 C ATOM 0 HA PRO A 46 -0.920 -2.589 11.983 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.494 -0.350 9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.090 -0.522 11.007 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.115 -1.143 8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.891 -2.166 9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.617 -2.672 8.061 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.407 -3.817 8.606 1.00 0.00 H new ATOM 755 N LEU A 47 -2.624 -1.284 13.101 1.00 0.00 N ATOM 756 CA LEU A 47 -3.747 -0.822 13.911 1.00 0.00 C ATOM 757 C LEU A 47 -4.347 0.443 13.317 1.00 0.00 C ATOM 758 O LEU A 47 -5.568 0.586 13.229 1.00 0.00 O ATOM 759 CB LEU A 47 -3.273 -0.541 15.341 1.00 0.00 C ATOM 760 CG LEU A 47 -4.300 -0.771 16.457 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.565 0.041 16.243 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.632 -2.248 16.578 1.00 0.00 C ATOM 0 H LEU A 47 -1.738 -1.321 13.605 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.510 -1.601 13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.404 -1.167 15.542 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.938 0.495 15.393 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.848 -0.431 17.389 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.264 -0.153 17.057 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.317 1.102 16.223 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.023 -0.243 15.296 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.362 -2.393 17.374 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.047 -2.606 15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.726 -2.807 16.811 1.00 0.00 H new ATOM 774 N GLU A 48 -3.482 1.359 12.904 1.00 0.00 N ATOM 775 CA GLU A 48 -3.928 2.627 12.353 1.00 0.00 C ATOM 776 C GLU A 48 -4.834 2.398 11.146 1.00 0.00 C ATOM 777 O GLU A 48 -5.844 3.083 10.972 1.00 0.00 O ATOM 778 CB GLU A 48 -2.732 3.499 11.961 1.00 0.00 C ATOM 779 CG GLU A 48 -1.768 2.826 10.994 1.00 0.00 C ATOM 780 CD GLU A 48 -0.662 3.749 10.535 1.00 0.00 C ATOM 781 OE1 GLU A 48 0.136 4.189 11.390 1.00 0.00 O ATOM 782 OE2 GLU A 48 -0.596 4.048 9.325 1.00 0.00 O ATOM 0 H GLU A 48 -2.469 1.246 12.941 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.498 3.149 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.099 4.421 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.189 3.780 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.330 1.951 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.321 2.469 10.125 1.00 0.00 H new ATOM 789 N LEU A 49 -4.484 1.403 10.337 1.00 0.00 N ATOM 790 CA LEU A 49 -5.252 1.082 9.143 1.00 0.00 C ATOM 791 C LEU A 49 -6.596 0.473 9.528 1.00 0.00 C ATOM 792 O LEU A 49 -7.586 0.635 8.823 1.00 0.00 O ATOM 793 CB LEU A 49 -4.478 0.116 8.239 1.00 0.00 C ATOM 794 CG LEU A 49 -3.067 0.562 7.842 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.493 -0.370 6.788 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.067 1.992 7.335 1.00 0.00 C ATOM 0 H LEU A 49 -3.672 0.805 10.489 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.425 2.006 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.406 -0.847 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.057 -0.045 7.330 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.438 0.518 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.490 -0.039 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.446 -1.384 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.131 -0.356 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.052 2.281 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.715 2.068 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.434 2.656 8.118 1.00 0.00 H new ATOM 808 N GLN A 50 -6.623 -0.213 10.665 1.00 0.00 N ATOM 809 CA GLN A 50 -7.858 -0.793 11.175 1.00 0.00 C ATOM 810 C GLN A 50 -8.856 0.304 11.515 1.00 0.00 C ATOM 811 O GLN A 50 -10.065 0.140 11.338 1.00 0.00 O ATOM 812 CB GLN A 50 -7.590 -1.638 12.421 1.00 0.00 C ATOM 813 CG GLN A 50 -6.638 -2.794 12.183 1.00 0.00 C ATOM 814 CD GLN A 50 -6.387 -3.608 13.436 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.251 -3.712 14.310 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.204 -4.193 13.533 1.00 0.00 N ATOM 0 H GLN A 50 -5.804 -0.381 11.250 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.273 -1.434 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.181 -0.997 13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.537 -2.030 12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.046 -3.443 11.408 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.690 -2.408 11.809 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.517 -4.082 12.787 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.979 -4.755 14.354 1.00 0.00 H new ATOM 825 N LYS A 51 -8.343 1.429 11.999 1.00 0.00 N ATOM 826 CA LYS A 51 -9.199 2.537 12.401 1.00 0.00 C ATOM 827 C LYS A 51 -9.608 3.371 11.196 1.00 0.00 C ATOM 828 O LYS A 51 -10.606 4.091 11.234 1.00 0.00 O ATOM 829 CB LYS A 51 -8.506 3.400 13.456 1.00 0.00 C ATOM 830 CG LYS A 51 -8.217 2.641 14.740 1.00 0.00 C ATOM 831 CD LYS A 51 -9.469 1.949 15.263 1.00 0.00 C ATOM 832 CE LYS A 51 -9.185 1.119 16.504 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.852 1.962 17.679 1.00 0.00 N ATOM 0 H LYS A 51 -7.344 1.597 12.122 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.105 2.124 12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.571 3.784 13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.133 4.262 13.682 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.437 1.901 14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.836 3.329 15.495 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.227 2.697 15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.881 1.307 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.055 0.505 16.735 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.358 0.438 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.699 1.355 18.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.987 2.505 17.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.636 2.618 17.869 1.00 0.00 H new ATOM 847 N LEU A 52 -8.837 3.268 10.128 1.00 0.00 N ATOM 848 CA LEU A 52 -9.218 3.869 8.864 1.00 0.00 C ATOM 849 C LEU A 52 -10.294 3.016 8.213 1.00 0.00 C ATOM 850 O LEU A 52 -10.026 1.930 7.696 1.00 0.00 O ATOM 851 CB LEU A 52 -7.998 4.014 7.951 1.00 0.00 C ATOM 852 CG LEU A 52 -6.909 4.943 8.491 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.679 4.914 7.596 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.444 6.361 8.624 1.00 0.00 C ATOM 0 H LEU A 52 -7.945 2.774 10.111 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.617 4.868 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.566 3.027 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.328 4.387 6.981 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.614 4.589 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.919 5.582 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.284 3.899 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.952 5.240 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.659 7.011 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.767 6.721 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.290 6.368 9.311 1.00 0.00 H new ATOM 866 N ASP A 53 -11.518 3.516 8.255 1.00 0.00 N ATOM 867 CA ASP A 53 -12.682 2.771 7.799 1.00 0.00 C ATOM 868 C ASP A 53 -12.674 2.607 6.285 1.00 0.00 C ATOM 869 O ASP A 53 -13.325 1.712 5.741 1.00 0.00 O ATOM 870 CB ASP A 53 -13.960 3.486 8.237 1.00 0.00 C ATOM 871 CG ASP A 53 -14.125 4.835 7.566 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.389 5.778 7.923 1.00 0.00 O ATOM 873 OD2 ASP A 53 -14.980 4.949 6.665 1.00 0.00 O ATOM 0 H ASP A 53 -11.734 4.449 8.606 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.647 1.778 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.821 2.860 8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.946 3.620 9.319 1.00 0.00 H new ATOM 878 N SER A 54 -11.941 3.474 5.607 1.00 0.00 N ATOM 879 CA SER A 54 -11.853 3.424 4.164 1.00 0.00 C ATOM 880 C SER A 54 -10.527 2.809 3.728 1.00 0.00 C ATOM 881 O SER A 54 -9.458 3.197 4.206 1.00 0.00 O ATOM 882 CB SER A 54 -12.026 4.831 3.591 1.00 0.00 C ATOM 883 OG SER A 54 -11.148 5.752 4.213 1.00 0.00 O ATOM 0 H SER A 54 -11.398 4.222 6.038 1.00 0.00 H new ATOM 0 HA SER A 54 -12.651 2.791 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.838 4.814 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.057 5.158 3.729 1.00 0.00 H new ATOM 0 HG SER A 54 -11.280 6.642 3.825 1.00 0.00 H new ATOM 889 N LEU A 55 -10.606 1.833 2.831 1.00 0.00 N ATOM 890 CA LEU A 55 -9.423 1.134 2.332 1.00 0.00 C ATOM 891 C LEU A 55 -8.460 2.088 1.597 1.00 0.00 C ATOM 892 O LEU A 55 -7.253 2.040 1.836 1.00 0.00 O ATOM 893 CB LEU A 55 -9.841 -0.026 1.419 1.00 0.00 C ATOM 894 CG LEU A 55 -8.717 -0.954 0.966 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.091 -1.660 2.158 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.244 -1.964 -0.041 1.00 0.00 C ATOM 0 H LEU A 55 -11.484 1.504 2.430 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.885 0.733 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.590 -0.622 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.323 0.389 0.534 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.944 -0.355 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.292 -2.317 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.681 -0.920 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.850 -2.250 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.433 -2.620 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.034 -2.558 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.644 -1.438 -0.908 1.00 0.00 H new ATOM 908 N PRO A 56 -8.961 2.959 0.684 1.00 0.00 N ATOM 909 CA PRO A 56 -8.116 3.944 -0.007 1.00 0.00 C ATOM 910 C PRO A 56 -7.295 4.806 0.952 1.00 0.00 C ATOM 911 O PRO A 56 -6.153 5.148 0.657 1.00 0.00 O ATOM 912 CB PRO A 56 -9.117 4.822 -0.776 1.00 0.00 C ATOM 913 CG PRO A 56 -10.460 4.468 -0.232 1.00 0.00 C ATOM 914 CD PRO A 56 -10.355 3.045 0.218 1.00 0.00 C ATOM 0 HA PRO A 56 -7.382 3.449 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.902 5.881 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.065 4.630 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.731 5.121 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.232 4.582 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.064 2.818 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.555 2.347 -0.595 1.00 0.00 H new ATOM 922 N ALA A 57 -7.872 5.141 2.102 1.00 0.00 N ATOM 923 CA ALA A 57 -7.195 5.994 3.074 1.00 0.00 C ATOM 924 C ALA A 57 -6.012 5.272 3.701 1.00 0.00 C ATOM 925 O ALA A 57 -4.972 5.874 3.968 1.00 0.00 O ATOM 926 CB ALA A 57 -8.161 6.453 4.152 1.00 0.00 C ATOM 0 H ALA A 57 -8.804 4.836 2.383 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.822 6.871 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.635 7.087 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.974 7.017 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.568 5.584 4.670 1.00 0.00 H new ATOM 932 N GLN A 58 -6.177 3.972 3.922 1.00 0.00 N ATOM 933 CA GLN A 58 -5.114 3.149 4.482 1.00 0.00 C ATOM 934 C GLN A 58 -3.903 3.163 3.557 1.00 0.00 C ATOM 935 O GLN A 58 -2.776 3.436 3.979 1.00 0.00 O ATOM 936 CB GLN A 58 -5.606 1.713 4.683 1.00 0.00 C ATOM 937 CG GLN A 58 -6.823 1.601 5.589 1.00 0.00 C ATOM 938 CD GLN A 58 -7.319 0.175 5.737 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.546 -0.778 5.665 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.612 0.018 5.961 1.00 0.00 N ATOM 0 H GLN A 58 -7.039 3.466 3.721 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.825 3.558 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.848 1.282 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.796 1.117 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.575 1.998 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.626 2.220 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.223 0.833 6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.999 -0.918 6.081 1.00 0.00 H new ATOM 949 N ALA A 59 -4.157 2.900 2.283 1.00 0.00 N ATOM 950 CA ALA A 59 -3.106 2.882 1.280 1.00 0.00 C ATOM 951 C ALA A 59 -2.535 4.281 1.067 1.00 0.00 C ATOM 952 O ALA A 59 -1.340 4.443 0.828 1.00 0.00 O ATOM 953 CB ALA A 59 -3.639 2.311 -0.023 1.00 0.00 C ATOM 0 H ALA A 59 -5.088 2.695 1.920 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.297 2.243 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.844 2.302 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.992 1.293 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.464 2.928 -0.380 1.00 0.00 H new ATOM 959 N GLN A 60 -3.391 5.291 1.174 1.00 0.00 N ATOM 960 CA GLN A 60 -2.962 6.670 1.004 1.00 0.00 C ATOM 961 C GLN A 60 -2.010 7.079 2.123 1.00 0.00 C ATOM 962 O GLN A 60 -1.019 7.766 1.877 1.00 0.00 O ATOM 963 CB GLN A 60 -4.163 7.616 0.969 1.00 0.00 C ATOM 964 CG GLN A 60 -3.793 9.057 0.644 1.00 0.00 C ATOM 965 CD GLN A 60 -3.209 9.211 -0.753 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.560 8.473 -1.670 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.313 10.169 -0.927 1.00 0.00 N ATOM 0 H GLN A 60 -4.384 5.179 1.377 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.437 6.741 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.877 7.257 0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.666 7.588 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.679 9.685 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.071 9.417 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.044 10.764 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.891 10.312 -1.845 1.00 0.00 H new ATOM 976 N HIS A 61 -2.297 6.649 3.353 1.00 0.00 N ATOM 977 CA HIS A 61 -1.427 6.971 4.481 1.00 0.00 C ATOM 978 C HIS A 61 -0.050 6.354 4.266 1.00 0.00 C ATOM 979 O HIS A 61 0.975 6.953 4.615 1.00 0.00 O ATOM 980 CB HIS A 61 -2.019 6.490 5.813 1.00 0.00 C ATOM 981 CG HIS A 61 -1.319 7.079 7.006 1.00 0.00 C ATOM 982 ND1 HIS A 61 -0.738 6.329 8.007 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.092 8.372 7.336 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.184 7.135 8.892 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.381 8.382 8.510 1.00 0.00 N ATOM 0 H HIS A 61 -3.113 6.085 3.590 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.337 8.056 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.076 6.752 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.958 5.403 5.861 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.737 5.310 8.055 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.412 9.239 6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.344 6.825 9.782 1.00 0.00 H new ATOM 994 N LEU A 62 -0.038 5.156 3.685 1.00 0.00 N ATOM 995 CA LEU A 62 1.205 4.478 3.331 1.00 0.00 C ATOM 996 C LEU A 62 2.027 5.332 2.367 1.00 0.00 C ATOM 997 O LEU A 62 3.204 5.604 2.609 1.00 0.00 O ATOM 998 CB LEU A 62 0.905 3.115 2.694 1.00 0.00 C ATOM 999 CG LEU A 62 0.200 2.104 3.601 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.146 0.844 2.821 1.00 0.00 C ATOM 1001 CD2 LEU A 62 1.077 1.761 4.796 1.00 0.00 C ATOM 0 H LEU A 62 -0.881 4.633 3.449 1.00 0.00 H new ATOM 0 HA LEU A 62 1.783 4.325 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.288 3.275 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.844 2.678 2.353 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.724 2.552 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.647 0.134 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.807 1.099 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.768 0.395 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.561 1.041 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.015 1.330 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.284 2.666 5.367 1.00 0.00 H new ATOM 1013 N ILE A 63 1.389 5.771 1.290 1.00 0.00 N ATOM 1014 CA ILE A 63 2.051 6.583 0.272 1.00 0.00 C ATOM 1015 C ILE A 63 2.479 7.938 0.835 1.00 0.00 C ATOM 1016 O ILE A 63 3.560 8.437 0.521 1.00 0.00 O ATOM 1017 CB ILE A 63 1.121 6.819 -0.940 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.679 5.485 -1.540 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.815 7.669 -1.996 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.378 5.623 -2.616 1.00 0.00 C ATOM 0 H ILE A 63 0.406 5.578 1.096 1.00 0.00 H new ATOM 0 HA ILE A 63 2.935 6.032 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 63 0.238 7.356 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.549 4.979 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.294 4.848 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.142 7.822 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.085 8.634 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.716 7.160 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.642 4.636 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.264 6.100 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.011 6.233 -3.432 1.00 0.00 H new ATOM 1032 N ASP A 64 1.622 8.515 1.671 1.00 0.00 N ATOM 1033 CA ASP A 64 1.844 9.851 2.219 1.00 0.00 C ATOM 1034 C ASP A 64 3.171 9.938 2.970 1.00 0.00 C ATOM 1035 O ASP A 64 4.091 10.622 2.526 1.00 0.00 O ATOM 1036 CB ASP A 64 0.689 10.240 3.148 1.00 0.00 C ATOM 1037 CG ASP A 64 0.754 11.688 3.593 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.446 11.981 4.588 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.097 12.542 2.963 1.00 0.00 O ATOM 0 H ASP A 64 0.758 8.074 1.987 1.00 0.00 H new ATOM 0 HA ASP A 64 1.887 10.549 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.257 10.064 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.702 9.594 4.026 1.00 0.00 H new ATOM 1044 N THR A 65 3.274 9.240 4.097 1.00 0.00 N ATOM 1045 CA THR A 65 4.474 9.318 4.926 1.00 0.00 C ATOM 1046 C THR A 65 4.707 8.043 5.727 1.00 0.00 C ATOM 1047 O THR A 65 4.987 8.094 6.927 1.00 0.00 O ATOM 1048 CB THR A 65 4.400 10.509 5.897 1.00 0.00 C ATOM 1049 OG1 THR A 65 3.034 10.772 6.254 1.00 0.00 O ATOM 1050 CG2 THR A 65 5.027 11.746 5.282 1.00 0.00 C ATOM 0 H THR A 65 2.549 8.619 4.456 1.00 0.00 H new ATOM 0 HA THR A 65 5.309 9.453 4.239 1.00 0.00 H new ATOM 0 HB THR A 65 4.959 10.253 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.617 11.328 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.963 12.575 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.073 11.547 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.496 12.006 4.366 1.00 0.00 H new ATOM 1058 N SER A 66 4.606 6.906 5.069 1.00 0.00 N ATOM 1059 CA SER A 66 4.849 5.636 5.731 1.00 0.00 C ATOM 1060 C SER A 66 6.039 4.912 5.105 1.00 0.00 C ATOM 1061 O SER A 66 6.692 5.438 4.200 1.00 0.00 O ATOM 1062 CB SER A 66 3.596 4.766 5.669 1.00 0.00 C ATOM 1063 OG SER A 66 2.491 5.426 6.263 1.00 0.00 O ATOM 0 H SER A 66 4.359 6.833 4.082 1.00 0.00 H new ATOM 0 HA SER A 66 5.090 5.832 6.776 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.366 4.526 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.779 3.821 6.181 1.00 0.00 H new ATOM 0 HG SER A 66 2.045 5.985 5.593 1.00 0.00 H new ATOM 1069 N CYS A 67 6.317 3.718 5.607 1.00 0.00 N ATOM 1070 CA CYS A 67 7.425 2.912 5.120 1.00 0.00 C ATOM 1071 C CYS A 67 6.915 1.792 4.209 1.00 0.00 C ATOM 1072 O CYS A 67 5.911 1.956 3.521 1.00 0.00 O ATOM 1073 CB CYS A 67 8.204 2.339 6.308 1.00 0.00 C ATOM 1074 SG CYS A 67 7.169 1.505 7.533 1.00 0.00 S ATOM 0 H CYS A 67 5.784 3.283 6.360 1.00 0.00 H new ATOM 0 HA CYS A 67 8.094 3.541 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.948 1.634 5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.748 3.148 6.797 1.00 0.00 H new ATOM 0 HG CYS A 67 7.916 1.053 8.496 1.00 0.00 H new ATOM 1080 N GLU A 68 7.593 0.650 4.225 1.00 0.00 N ATOM 1081 CA GLU A 68 7.285 -0.434 3.303 1.00 0.00 C ATOM 1082 C GLU A 68 6.321 -1.435 3.933 1.00 0.00 C ATOM 1083 O GLU A 68 6.166 -1.485 5.157 1.00 0.00 O ATOM 1084 CB GLU A 68 8.577 -1.129 2.869 1.00 0.00 C ATOM 1085 CG GLU A 68 9.450 -1.568 4.032 1.00 0.00 C ATOM 1086 CD GLU A 68 10.813 -2.051 3.588 1.00 0.00 C ATOM 1087 OE1 GLU A 68 11.648 -1.204 3.206 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.061 -3.272 3.631 1.00 0.00 O ATOM 0 H GLU A 68 8.360 0.452 4.867 1.00 0.00 H new ATOM 0 HA GLU A 68 6.796 -0.013 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.326 -2.001 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.147 -0.453 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.572 -0.735 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.946 -2.366 4.578 1.00 0.00 H new ATOM 1095 N LEU A 69 5.686 -2.236 3.092 1.00 0.00 N ATOM 1096 CA LEU A 69 4.587 -3.085 3.522 1.00 0.00 C ATOM 1097 C LEU A 69 4.916 -4.561 3.321 1.00 0.00 C ATOM 1098 O LEU A 69 5.074 -5.027 2.195 1.00 0.00 O ATOM 1099 CB LEU A 69 3.326 -2.717 2.731 1.00 0.00 C ATOM 1100 CG LEU A 69 2.039 -3.440 3.141 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.601 -3.010 4.530 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.934 -3.173 2.127 1.00 0.00 C ATOM 0 H LEU A 69 5.915 -2.316 2.101 1.00 0.00 H new ATOM 0 HA LEU A 69 4.419 -2.923 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.162 -1.644 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.512 -2.918 1.676 1.00 0.00 H new ATOM 0 HG LEU A 69 2.239 -4.511 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.685 -3.535 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.384 -3.250 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.419 -1.935 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.026 -3.694 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.738 -2.102 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.246 -3.532 1.146 1.00 0.00 H new ATOM 1114 N ASP A 70 5.033 -5.289 4.415 1.00 0.00 N ATOM 1115 CA ASP A 70 5.212 -6.731 4.346 1.00 0.00 C ATOM 1116 C ASP A 70 3.856 -7.390 4.137 1.00 0.00 C ATOM 1117 O ASP A 70 2.897 -7.092 4.849 1.00 0.00 O ATOM 1118 CB ASP A 70 5.883 -7.258 5.618 1.00 0.00 C ATOM 1119 CG ASP A 70 5.113 -6.905 6.874 1.00 0.00 C ATOM 1120 OD1 ASP A 70 5.197 -5.740 7.320 1.00 0.00 O ATOM 1121 OD2 ASP A 70 4.423 -7.788 7.422 1.00 0.00 O ATOM 0 H ASP A 70 5.008 -4.909 5.361 1.00 0.00 H new ATOM 0 HA ASP A 70 5.864 -6.974 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.982 -8.341 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.891 -6.850 5.688 1.00 0.00 H new ATOM 1126 N VAL A 71 3.769 -8.265 3.146 1.00 0.00 N ATOM 1127 CA VAL A 71 2.484 -8.825 2.745 1.00 0.00 C ATOM 1128 C VAL A 71 2.523 -10.345 2.644 1.00 0.00 C ATOM 1129 O VAL A 71 1.630 -10.963 2.059 1.00 0.00 O ATOM 1130 CB VAL A 71 2.032 -8.229 1.397 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.676 -6.760 1.560 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.120 -8.396 0.348 1.00 0.00 C ATOM 0 H VAL A 71 4.567 -8.602 2.607 1.00 0.00 H new ATOM 0 HA VAL A 71 1.767 -8.560 3.522 1.00 0.00 H new ATOM 0 HB VAL A 71 1.145 -8.767 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.359 -6.354 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.865 -6.660 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.548 -6.212 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.783 -7.969 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.024 -7.882 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.334 -9.456 0.212 1.00 0.00 H new ATOM 1142 N GLY A 72 3.552 -10.946 3.220 1.00 0.00 N ATOM 1143 CA GLY A 72 3.654 -12.392 3.231 1.00 0.00 C ATOM 1144 C GLY A 72 3.953 -12.970 1.862 1.00 0.00 C ATOM 1145 O GLY A 72 4.531 -12.291 1.013 1.00 0.00 O ATOM 0 H GLY A 72 4.320 -10.459 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.439 -12.691 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.721 -12.815 3.603 1.00 0.00 H new ATOM 1149 N ALA A 73 3.570 -14.232 1.657 1.00 0.00 N ATOM 1150 CA ALA A 73 3.799 -14.939 0.393 1.00 0.00 C ATOM 1151 C ALA A 73 5.287 -15.005 0.049 1.00 0.00 C ATOM 1152 O ALA A 73 5.663 -15.295 -1.087 1.00 0.00 O ATOM 1153 CB ALA A 73 3.020 -14.284 -0.741 1.00 0.00 C ATOM 0 H ALA A 73 3.092 -14.794 2.362 1.00 0.00 H new ATOM 0 HA ALA A 73 3.439 -15.960 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.205 -14.825 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.955 -14.309 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.343 -13.249 -0.854 1.00 0.00 H new ATOM 1159 N GLY A 74 6.131 -14.750 1.041 1.00 0.00 N ATOM 1160 CA GLY A 74 7.561 -14.740 0.819 1.00 0.00 C ATOM 1161 C GLY A 74 8.022 -13.503 0.070 1.00 0.00 C ATOM 1162 O GLY A 74 9.115 -13.485 -0.498 1.00 0.00 O ATOM 0 H GLY A 74 5.847 -14.549 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.075 -14.793 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.845 -15.629 0.256 1.00 0.00 H new ATOM 1166 N LYS A 75 7.191 -12.468 0.056 1.00 0.00 N ATOM 1167 CA LYS A 75 7.546 -11.236 -0.626 1.00 0.00 C ATOM 1168 C LYS A 75 7.321 -10.029 0.274 1.00 0.00 C ATOM 1169 O LYS A 75 6.428 -10.022 1.126 1.00 0.00 O ATOM 1170 CB LYS A 75 6.751 -11.067 -1.926 1.00 0.00 C ATOM 1171 CG LYS A 75 5.270 -10.782 -1.728 1.00 0.00 C ATOM 1172 CD LYS A 75 4.615 -10.336 -3.028 1.00 0.00 C ATOM 1173 CE LYS A 75 3.172 -9.913 -2.810 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.539 -9.387 -4.051 1.00 0.00 N ATOM 0 H LYS A 75 6.275 -12.459 0.506 1.00 0.00 H new ATOM 0 HA LYS A 75 8.606 -11.300 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.191 -10.253 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.857 -11.973 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.772 -11.677 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.144 -10.008 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.178 -9.505 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.651 -11.150 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.598 -10.765 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.134 -9.148 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.504 -9.447 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.818 -8.395 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.852 -9.952 -4.866 1.00 0.00 H new ATOM 1188 N TYR A 76 8.145 -9.018 0.088 1.00 0.00 N ATOM 1189 CA TYR A 76 7.977 -7.756 0.781 1.00 0.00 C ATOM 1190 C TYR A 76 7.657 -6.677 -0.236 1.00 0.00 C ATOM 1191 O TYR A 76 8.337 -6.566 -1.254 1.00 0.00 O ATOM 1192 CB TYR A 76 9.246 -7.375 1.549 1.00 0.00 C ATOM 1193 CG TYR A 76 9.631 -8.347 2.640 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.012 -8.308 3.883 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.625 -9.296 2.432 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.371 -9.185 4.886 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.988 -10.180 3.430 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.358 -10.121 4.655 1.00 0.00 C ATOM 1199 OH TYR A 76 10.723 -10.996 5.655 1.00 0.00 O ATOM 0 H TYR A 76 8.945 -9.047 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 76 7.163 -7.855 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.073 -7.294 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.106 -6.388 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.237 -7.579 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 76 11.122 -9.343 1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.882 -9.139 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.761 -10.913 3.252 1.00 0.00 H new ATOM 0 HH TYR A 76 11.431 -11.590 5.328 1.00 0.00 H new ATOM 1209 N LEU A 77 6.625 -5.898 0.028 1.00 0.00 N ATOM 1210 CA LEU A 77 6.246 -4.833 -0.878 1.00 0.00 C ATOM 1211 C LEU A 77 6.950 -3.547 -0.475 1.00 0.00 C ATOM 1212 O LEU A 77 6.660 -2.963 0.570 1.00 0.00 O ATOM 1213 CB LEU A 77 4.727 -4.644 -0.870 1.00 0.00 C ATOM 1214 CG LEU A 77 4.189 -3.589 -1.839 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.599 -3.919 -3.261 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.675 -3.490 -1.728 1.00 0.00 C ATOM 0 H LEU A 77 6.038 -5.982 0.858 1.00 0.00 H new ATOM 0 HA LEU A 77 6.549 -5.098 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.258 -5.600 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.417 -4.376 0.140 1.00 0.00 H new ATOM 0 HG LEU A 77 4.617 -2.623 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.209 -3.159 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.687 -3.942 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.197 -4.893 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.308 -2.735 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.229 -4.454 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.402 -3.209 -0.711 1.00 0.00 H new ATOM 1228 N GLN A 78 7.878 -3.119 -1.306 1.00 0.00 N ATOM 1229 CA GLN A 78 8.638 -1.913 -1.043 1.00 0.00 C ATOM 1230 C GLN A 78 8.425 -0.921 -2.170 1.00 0.00 C ATOM 1231 O GLN A 78 8.337 -1.310 -3.331 1.00 0.00 O ATOM 1232 CB GLN A 78 10.130 -2.232 -0.923 1.00 0.00 C ATOM 1233 CG GLN A 78 10.468 -3.224 0.180 1.00 0.00 C ATOM 1234 CD GLN A 78 11.944 -3.587 0.199 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.607 -3.598 -0.839 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.475 -3.869 1.379 1.00 0.00 N ATOM 0 H GLN A 78 8.126 -3.592 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 78 8.293 -1.484 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.483 -2.629 -1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.675 -1.305 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.188 -2.800 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.876 -4.129 0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.894 -3.850 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.465 -4.105 1.450 1.00 0.00 H new ATOM 1245 N TRP A 79 8.330 0.349 -1.836 1.00 0.00 N ATOM 1246 CA TRP A 79 8.198 1.383 -2.844 1.00 0.00 C ATOM 1247 C TRP A 79 8.870 2.659 -2.372 1.00 0.00 C ATOM 1248 O TRP A 79 8.798 3.008 -1.193 1.00 0.00 O ATOM 1249 CB TRP A 79 6.722 1.640 -3.188 1.00 0.00 C ATOM 1250 CG TRP A 79 5.905 2.213 -2.063 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.611 3.531 -1.853 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.275 1.489 -0.997 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.840 3.670 -0.728 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.621 2.434 -0.184 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.199 0.139 -0.650 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.904 2.076 0.950 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.486 -0.217 0.478 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.847 0.747 1.266 1.00 0.00 C ATOM 0 H TRP A 79 8.342 0.691 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 79 8.693 1.040 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.674 2.322 -4.037 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.269 0.701 -3.507 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.939 4.345 -2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.487 4.552 -0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.688 -0.612 -1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.410 2.819 1.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.420 -1.258 0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.298 0.435 2.142 1.00 0.00 H new ATOM 1269 N TYR A 80 9.551 3.335 -3.279 1.00 0.00 N ATOM 1270 CA TYR A 80 10.165 4.607 -2.958 1.00 0.00 C ATOM 1271 C TYR A 80 9.863 5.628 -4.042 1.00 0.00 C ATOM 1272 O TYR A 80 10.020 5.357 -5.236 1.00 0.00 O ATOM 1273 CB TYR A 80 11.677 4.467 -2.714 1.00 0.00 C ATOM 1274 CG TYR A 80 12.463 3.783 -3.814 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.553 2.396 -3.872 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.145 4.523 -4.772 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.301 1.770 -4.851 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.888 3.904 -5.757 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.963 2.527 -5.791 1.00 0.00 C ATOM 1280 OH TYR A 80 14.714 1.909 -6.765 1.00 0.00 O ATOM 0 H TYR A 80 9.692 3.025 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 80 9.731 4.965 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.095 5.462 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.826 3.912 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.030 1.799 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.093 5.601 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.366 0.692 -4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.408 4.495 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 80 15.114 2.587 -7.349 1.00 0.00 H new ATOM 1290 N ALA A 81 9.387 6.783 -3.613 1.00 0.00 N ATOM 1291 CA ALA A 81 9.002 7.844 -4.523 1.00 0.00 C ATOM 1292 C ALA A 81 10.223 8.508 -5.135 1.00 0.00 C ATOM 1293 O ALA A 81 11.195 8.809 -4.437 1.00 0.00 O ATOM 1294 CB ALA A 81 8.156 8.875 -3.796 1.00 0.00 C ATOM 0 H ALA A 81 9.257 7.010 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 81 8.415 7.404 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.873 9.667 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.258 8.398 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.729 9.301 -2.973 1.00 0.00 H new ATOM 1300 N VAL A 82 10.177 8.724 -6.436 1.00 0.00 N ATOM 1301 CA VAL A 82 11.232 9.440 -7.121 1.00 0.00 C ATOM 1302 C VAL A 82 10.656 10.638 -7.861 1.00 0.00 C ATOM 1303 O VAL A 82 9.999 10.496 -8.893 1.00 0.00 O ATOM 1304 CB VAL A 82 12.024 8.531 -8.095 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.906 7.569 -7.316 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.091 7.752 -9.015 1.00 0.00 C ATOM 0 H VAL A 82 9.417 8.412 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 82 11.936 9.787 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 82 12.650 9.174 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.457 6.936 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.609 8.134 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.285 6.946 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.680 7.125 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.431 7.124 -8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.494 8.449 -9.603 1.00 0.00 H new ATOM 1316 N ARG A 83 10.865 11.819 -7.303 1.00 0.00 N ATOM 1317 CA ARG A 83 10.418 13.041 -7.942 1.00 0.00 C ATOM 1318 C ARG A 83 11.406 13.448 -9.019 1.00 0.00 C ATOM 1319 O ARG A 83 12.587 13.658 -8.741 1.00 0.00 O ATOM 1320 CB ARG A 83 10.272 14.177 -6.928 1.00 0.00 C ATOM 1321 CG ARG A 83 9.030 14.095 -6.058 1.00 0.00 C ATOM 1322 CD ARG A 83 9.019 15.219 -5.036 1.00 0.00 C ATOM 1323 NE ARG A 83 7.753 15.314 -4.313 1.00 0.00 N ATOM 1324 CZ ARG A 83 7.573 14.902 -3.058 1.00 0.00 C ATOM 1325 NH1 ARG A 83 8.562 14.306 -2.400 1.00 0.00 N ATOM 1326 NH2 ARG A 83 6.403 15.091 -2.462 1.00 0.00 N ATOM 0 H ARG A 83 11.340 11.955 -6.411 1.00 0.00 H new ATOM 0 HA ARG A 83 9.441 12.851 -8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.151 14.185 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.261 15.126 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.138 14.154 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.999 13.132 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.829 15.064 -4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.216 16.165 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 83 6.955 15.722 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.463 14.162 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.420 13.992 -1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.643 15.551 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.263 14.777 -1.502 1.00 0.00 H new ATOM 1340 N LEU A 84 10.924 13.556 -10.243 1.00 0.00 N ATOM 1341 CA LEU A 84 11.762 13.998 -11.348 1.00 0.00 C ATOM 1342 C LEU A 84 11.785 15.523 -11.400 1.00 0.00 C ATOM 1343 O LEU A 84 12.441 16.117 -12.259 1.00 0.00 O ATOM 1344 CB LEU A 84 11.270 13.423 -12.689 1.00 0.00 C ATOM 1345 CG LEU A 84 11.558 11.932 -12.937 1.00 0.00 C ATOM 1346 CD1 LEU A 84 13.032 11.627 -12.721 1.00 0.00 C ATOM 1347 CD2 LEU A 84 10.693 11.046 -12.052 1.00 0.00 C ATOM 0 H LEU A 84 9.960 13.345 -10.499 1.00 0.00 H new ATOM 0 HA LEU A 84 12.773 13.628 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.193 13.579 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.725 13.998 -13.496 1.00 0.00 H new ATOM 0 HG LEU A 84 11.307 11.713 -13.975 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.215 10.568 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.631 12.221 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.308 11.873 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.921 9.999 -12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.897 11.268 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.641 11.235 -12.265 1.00 0.00 H new ATOM 1359 N GLU A 85 11.072 16.141 -10.449 1.00 0.00 N ATOM 1360 CA GLU A 85 10.955 17.596 -10.368 1.00 0.00 C ATOM 1361 C GLU A 85 10.437 18.151 -11.688 1.00 0.00 C ATOM 1362 O GLU A 85 11.029 19.056 -12.273 1.00 0.00 O ATOM 1363 CB GLU A 85 12.305 18.239 -10.020 1.00 0.00 C ATOM 1364 CG GLU A 85 12.893 17.781 -8.693 1.00 0.00 C ATOM 1365 CD GLU A 85 11.985 18.063 -7.513 1.00 0.00 C ATOM 1366 OE1 GLU A 85 11.706 19.249 -7.237 1.00 0.00 O ATOM 1367 OE2 GLU A 85 11.554 17.100 -6.846 1.00 0.00 O ATOM 0 H GLU A 85 10.563 15.645 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 85 10.248 17.838 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.016 18.016 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.183 19.322 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.095 16.711 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.850 18.279 -8.535 1.00 0.00 H new ATOM 1374 N LYS A 86 9.330 17.595 -12.156 1.00 0.00 N ATOM 1375 CA LYS A 86 8.800 17.955 -13.460 1.00 0.00 C ATOM 1376 C LYS A 86 7.951 19.215 -13.369 1.00 0.00 C ATOM 1377 O LYS A 86 6.737 19.141 -13.162 1.00 0.00 O ATOM 1378 CB LYS A 86 7.972 16.806 -14.050 1.00 0.00 C ATOM 1379 CG LYS A 86 8.633 15.442 -13.919 1.00 0.00 C ATOM 1380 CD LYS A 86 7.964 14.390 -14.796 1.00 0.00 C ATOM 1381 CE LYS A 86 6.478 14.239 -14.496 1.00 0.00 C ATOM 1382 NZ LYS A 86 6.215 13.776 -13.102 1.00 0.00 N ATOM 0 H LYS A 86 8.784 16.895 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 86 9.645 18.150 -14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.002 16.778 -13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.786 17.009 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.685 15.523 -14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.596 15.121 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.094 14.659 -15.844 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.460 13.431 -14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.980 15.195 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.040 13.530 -15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.335 13.222 -13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.006 13.183 -12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.120 14.600 -12.475 1.00 0.00 H new ATOM 1396 N LEU A 87 8.601 20.370 -13.494 1.00 0.00 N ATOM 1397 CA LEU A 87 7.892 21.642 -13.541 1.00 0.00 C ATOM 1398 C LEU A 87 6.889 21.617 -14.686 1.00 0.00 C ATOM 1399 O LEU A 87 7.241 21.291 -15.824 1.00 0.00 O ATOM 1400 CB LEU A 87 8.860 22.823 -13.711 1.00 0.00 C ATOM 1401 CG LEU A 87 9.654 23.236 -12.461 1.00 0.00 C ATOM 1402 CD1 LEU A 87 8.721 23.450 -11.278 1.00 0.00 C ATOM 1403 CD2 LEU A 87 10.724 22.209 -12.120 1.00 0.00 C ATOM 0 H LEU A 87 9.616 20.449 -13.564 1.00 0.00 H new ATOM 0 HA LEU A 87 7.370 21.780 -12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.569 22.574 -14.500 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.290 23.686 -14.055 1.00 0.00 H new ATOM 0 HG LEU A 87 10.155 24.179 -12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.303 23.742 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.005 24.237 -11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.185 22.525 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.267 22.531 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.254 21.244 -11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.418 22.115 -12.955 1.00 0.00 H new ATOM 1415 N GLU A 88 5.650 21.953 -14.378 1.00 0.00 N ATOM 1416 CA GLU A 88 4.559 21.805 -15.328 1.00 0.00 C ATOM 1417 C GLU A 88 4.687 22.760 -16.510 1.00 0.00 C ATOM 1418 O GLU A 88 4.840 23.969 -16.342 1.00 0.00 O ATOM 1419 CB GLU A 88 3.198 21.982 -14.637 1.00 0.00 C ATOM 1420 CG GLU A 88 3.235 22.730 -13.307 1.00 0.00 C ATOM 1421 CD GLU A 88 3.610 24.195 -13.438 1.00 0.00 C ATOM 1422 OE1 GLU A 88 2.744 25.006 -13.828 1.00 0.00 O ATOM 1423 OE2 GLU A 88 4.764 24.545 -13.109 1.00 0.00 O ATOM 0 H GLU A 88 5.372 22.332 -13.473 1.00 0.00 H new ATOM 0 HA GLU A 88 4.621 20.791 -15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.531 22.513 -15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.763 20.997 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.257 22.656 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.949 22.240 -12.645 1.00 0.00 H new ATOM 1430 N HIS A 89 4.651 22.196 -17.711 1.00 0.00 N ATOM 1431 CA HIS A 89 4.584 22.995 -18.925 1.00 0.00 C ATOM 1432 C HIS A 89 3.127 23.298 -19.227 1.00 0.00 C ATOM 1433 O HIS A 89 2.343 22.380 -19.467 1.00 0.00 O ATOM 1434 CB HIS A 89 5.207 22.260 -20.119 1.00 0.00 C ATOM 1435 CG HIS A 89 6.672 21.981 -19.987 1.00 0.00 C ATOM 1436 ND1 HIS A 89 7.201 20.714 -20.072 1.00 0.00 N ATOM 1437 CD2 HIS A 89 7.724 22.813 -19.804 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.510 20.774 -19.946 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.857 22.035 -19.782 1.00 0.00 N ATOM 0 H HIS A 89 4.667 21.188 -17.869 1.00 0.00 H new ATOM 0 HA HIS A 89 5.147 23.915 -18.767 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.682 21.315 -20.260 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.044 22.853 -21.019 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.681 23.887 -19.696 1.00 0.00 H new ATOM 0 HE1 HIS A 89 9.186 19.932 -19.973 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.810 22.377 -19.659 1.00 0.00 H new ATOM 1448 N HIS A 90 2.766 24.572 -19.180 1.00 0.00 N ATOM 1449 CA HIS A 90 1.394 24.983 -19.447 1.00 0.00 C ATOM 1450 C HIS A 90 0.968 24.584 -20.851 1.00 0.00 C ATOM 1451 O HIS A 90 1.346 25.212 -21.841 1.00 0.00 O ATOM 1452 CB HIS A 90 1.220 26.486 -19.231 1.00 0.00 C ATOM 1453 CG HIS A 90 0.966 26.846 -17.800 1.00 0.00 C ATOM 1454 ND1 HIS A 90 1.963 26.940 -16.857 1.00 0.00 N ATOM 1455 CD2 HIS A 90 -0.189 27.125 -17.152 1.00 0.00 C ATOM 1456 CE1 HIS A 90 1.435 27.261 -15.691 1.00 0.00 C ATOM 1457 NE2 HIS A 90 0.128 27.380 -15.843 1.00 0.00 N ATOM 0 H HIS A 90 3.402 25.338 -18.960 1.00 0.00 H new ATOM 0 HA HIS A 90 0.747 24.464 -18.740 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.115 27.003 -19.577 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.390 26.842 -19.842 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.178 27.143 -17.586 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.979 27.402 -14.769 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.536 27.622 -15.107 1.00 0.00 H new ATOM 1466 N HIS A 91 0.205 23.506 -20.906 1.00 0.00 N ATOM 1467 CA HIS A 91 -0.303 22.944 -22.145 1.00 0.00 C ATOM 1468 C HIS A 91 -1.490 22.066 -21.772 1.00 0.00 C ATOM 1469 O HIS A 91 -1.824 21.989 -20.587 1.00 0.00 O ATOM 1470 CB HIS A 91 0.800 22.129 -22.845 1.00 0.00 C ATOM 1471 CG HIS A 91 0.563 21.883 -24.308 1.00 0.00 C ATOM 1472 ND1 HIS A 91 0.853 22.813 -25.281 1.00 0.00 N ATOM 1473 CD2 HIS A 91 0.067 20.805 -24.962 1.00 0.00 C ATOM 1474 CE1 HIS A 91 0.545 22.322 -26.464 1.00 0.00 C ATOM 1475 NE2 HIS A 91 0.065 21.103 -26.304 1.00 0.00 N ATOM 0 H HIS A 91 -0.084 22.988 -20.076 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.613 23.723 -22.842 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.750 22.651 -22.727 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.900 21.168 -22.340 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.266 19.881 -24.512 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.665 22.832 -27.408 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.254 20.486 -27.051 1.00 0.00 H new ATOM 1484 N HIS A 92 -2.131 21.429 -22.751 1.00 0.00 N ATOM 1485 CA HIS A 92 -3.271 20.550 -22.486 1.00 0.00 C ATOM 1486 C HIS A 92 -4.485 21.388 -22.088 1.00 0.00 C ATOM 1487 O HIS A 92 -4.691 21.705 -20.916 1.00 0.00 O ATOM 1488 CB HIS A 92 -2.923 19.507 -21.403 1.00 0.00 C ATOM 1489 CG HIS A 92 -4.074 18.654 -20.956 1.00 0.00 C ATOM 1490 ND1 HIS A 92 -4.755 18.868 -19.777 1.00 0.00 N ATOM 1491 CD2 HIS A 92 -4.644 17.567 -21.522 1.00 0.00 C ATOM 1492 CE1 HIS A 92 -5.694 17.953 -19.642 1.00 0.00 C ATOM 1493 NE2 HIS A 92 -5.651 17.151 -20.685 1.00 0.00 N ATOM 0 H HIS A 92 -1.880 21.505 -23.737 1.00 0.00 H new ATOM 0 HA HIS A 92 -3.515 20.000 -23.395 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -2.135 18.858 -21.784 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -2.516 20.027 -20.536 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.360 17.110 -22.459 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.383 17.874 -18.814 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -6.264 16.352 -20.845 1.00 0.00 H new ATOM 1502 N HIS A 93 -5.270 21.768 -23.083 1.00 0.00 N ATOM 1503 CA HIS A 93 -6.414 22.636 -22.856 1.00 0.00 C ATOM 1504 C HIS A 93 -7.708 21.914 -23.185 1.00 0.00 C ATOM 1505 O HIS A 93 -7.706 20.731 -23.524 1.00 0.00 O ATOM 1506 CB HIS A 93 -6.313 23.925 -23.690 1.00 0.00 C ATOM 1507 CG HIS A 93 -6.341 23.718 -25.181 1.00 0.00 C ATOM 1508 ND1 HIS A 93 -7.507 23.630 -25.920 1.00 0.00 N ATOM 1509 CD2 HIS A 93 -5.329 23.607 -26.073 1.00 0.00 C ATOM 1510 CE1 HIS A 93 -7.203 23.474 -27.195 1.00 0.00 C ATOM 1511 NE2 HIS A 93 -5.890 23.459 -27.315 1.00 0.00 N ATOM 0 H HIS A 93 -5.136 21.489 -24.055 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.414 22.907 -21.800 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.135 24.585 -23.414 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.389 24.440 -23.426 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -8.452 23.678 -25.540 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.273 23.631 -25.848 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -7.911 23.375 -28.004 1.00 0.00 H new ATOM 1520 N HIS A 94 -8.805 22.639 -23.084 1.00 0.00 N ATOM 1521 CA HIS A 94 -10.115 22.107 -23.399 1.00 0.00 C ATOM 1522 C HIS A 94 -10.831 23.084 -24.319 1.00 0.00 C ATOM 1523 O HIS A 94 -11.964 23.496 -24.003 1.00 0.00 O ATOM 1524 CB HIS A 94 -10.925 21.872 -22.112 1.00 0.00 C ATOM 1525 CG HIS A 94 -10.857 23.014 -21.139 1.00 0.00 C ATOM 1526 ND1 HIS A 94 -11.527 24.198 -21.330 1.00 0.00 N ATOM 1527 CD2 HIS A 94 -10.161 23.160 -19.984 1.00 0.00 C ATOM 1528 CE1 HIS A 94 -11.246 25.028 -20.343 1.00 0.00 C ATOM 1529 NE2 HIS A 94 -10.418 24.424 -19.510 1.00 0.00 N ATOM 1530 OXT HIS A 94 -10.217 23.487 -25.329 1.00 0.00 O ATOM 0 H HIS A 94 -8.813 23.613 -22.781 1.00 0.00 H new ATOM 0 HA HIS A 94 -10.011 21.146 -23.903 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -11.967 21.693 -22.377 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.561 20.968 -21.624 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -12.146 24.404 -22.114 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.523 22.420 -19.523 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.629 26.032 -20.235 1.00 0.00 H new TER 1539 HIS A 94