USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.559) USER MOD Set 1.2: A 88 THR OG1 : rot -109:sc= 1.06 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.0552 K(o=1.3,f=-6.6!) USER MOD Set 2.2: B 208 THR OG1 : rot 98:sc= 1.28 USER MOD Set 3.1: A 34 ASN : amide:sc= 0.621 X(o=0.86,f=1) USER MOD Set 3.2: A 77 THR OG1 : rot -160:sc= 0.235 USER MOD Set 4.1: A 8 MET CE :methyl 176:sc= -0.207 (180deg=0) USER MOD Set 4.2: A 100 GLN : amide:sc= -0.212 X(o=-0.42,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 25:sc= 0.719 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 35 THR OG1 : rot -122:sc= 0.35 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.16) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= 1.26 (180deg=0.546) USER MOD Single : A 55 SER OG : rot -28:sc= 0.0288 USER MOD Single : A 60 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 69 ASN : amide:sc= 0.567 K(o=0.57,f=-8.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 80 GLN : amide:sc= 0.878 K(o=0.88,f=-0.17) USER MOD Single : A 84 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 87 ASN : amide:sc= 0.417 K(o=0.42,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.286 F(o=-1,f=-0.29) USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= 1.19 (180deg=-0.591) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.954 -9.642 -2.973 1.00 0.00 N ATOM 2 CA MET A 8 -14.619 -10.015 -2.619 1.00 0.00 C ATOM 3 C MET A 8 -14.316 -11.369 -3.163 1.00 0.00 C ATOM 4 O MET A 8 -15.204 -12.202 -3.334 1.00 0.00 O ATOM 5 CB MET A 8 -14.408 -9.972 -1.097 1.00 0.00 C ATOM 6 CG MET A 8 -14.664 -8.586 -0.500 1.00 0.00 C ATOM 7 SD MET A 8 -14.129 -8.406 1.228 1.00 0.00 S ATOM 8 CE MET A 8 -15.590 -9.190 1.970 1.00 0.00 C ATOM 0 HA MET A 8 -13.930 -9.294 -3.058 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.072 -10.695 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.387 -10.278 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.149 -7.841 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.730 -8.367 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.456 -9.260 3.049 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.474 -8.591 1.752 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.717 -10.190 1.554 1.00 0.00 H new ATOM 18 N LYS A 9 -13.039 -11.655 -3.476 1.00 0.00 N ATOM 19 CA LYS A 9 -12.604 -12.878 -4.075 1.00 0.00 C ATOM 20 C LYS A 9 -11.226 -13.146 -3.577 1.00 0.00 C ATOM 21 O LYS A 9 -10.575 -12.200 -3.139 1.00 0.00 O ATOM 22 CB LYS A 9 -12.595 -12.795 -5.612 1.00 0.00 C ATOM 23 CG LYS A 9 -13.975 -12.835 -6.272 1.00 0.00 C ATOM 24 CD LYS A 9 -14.629 -14.219 -6.273 1.00 0.00 C ATOM 25 CE LYS A 9 -16.128 -14.259 -5.970 1.00 0.00 C ATOM 26 NZ LYS A 9 -16.933 -13.482 -6.938 1.00 0.00 N ATOM 0 H LYS A 9 -12.275 -11.002 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.292 -13.679 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.095 -11.873 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.999 -13.620 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.633 -12.135 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.884 -12.488 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.465 -14.675 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.115 -14.841 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.466 -15.295 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.301 -13.870 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.939 -13.545 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.633 -12.486 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.793 -13.867 -7.894 1.00 0.00 H new ATOM 40 N PRO A 10 -10.697 -14.335 -3.583 1.00 0.00 N ATOM 41 CA PRO A 10 -9.340 -14.581 -3.194 1.00 0.00 C ATOM 42 C PRO A 10 -8.354 -14.123 -4.212 1.00 0.00 C ATOM 43 O PRO A 10 -8.538 -14.336 -5.410 1.00 0.00 O ATOM 44 CB PRO A 10 -9.271 -16.090 -2.969 1.00 0.00 C ATOM 45 CG PRO A 10 -10.364 -16.661 -3.887 1.00 0.00 C ATOM 46 CD PRO A 10 -11.439 -15.566 -3.808 1.00 0.00 C ATOM 0 HA PRO A 10 -9.074 -14.017 -2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.289 -16.486 -3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.455 -16.345 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.006 -16.811 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.733 -17.624 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.021 -15.515 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.142 -15.759 -2.997 1.00 0.00 H new ATOM 54 N GLY A 11 -7.275 -13.459 -3.763 1.00 0.00 N ATOM 55 CA GLY A 11 -6.276 -12.858 -4.590 1.00 0.00 C ATOM 56 C GLY A 11 -6.732 -11.648 -5.330 1.00 0.00 C ATOM 57 O GLY A 11 -6.220 -11.323 -6.400 1.00 0.00 O ATOM 0 H GLY A 11 -7.090 -13.335 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.422 -12.588 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.925 -13.598 -5.310 1.00 0.00 H new ATOM 61 N ASP A 12 -7.729 -10.930 -4.783 1.00 0.00 N ATOM 62 CA ASP A 12 -8.298 -9.750 -5.355 1.00 0.00 C ATOM 63 C ASP A 12 -7.479 -8.546 -5.037 1.00 0.00 C ATOM 64 O ASP A 12 -7.368 -8.136 -3.882 1.00 0.00 O ATOM 65 CB ASP A 12 -9.734 -9.660 -4.811 1.00 0.00 C ATOM 66 CG ASP A 12 -10.507 -8.423 -5.247 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.762 -8.254 -6.469 1.00 0.00 O ATOM 68 OD2 ASP A 12 -10.871 -7.610 -4.355 1.00 0.00 O ATOM 0 H ASP A 12 -8.160 -11.187 -3.895 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.314 -9.796 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.284 -10.546 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.697 -9.682 -3.722 1.00 0.00 H new ATOM 73 N THR A 13 -6.863 -7.916 -6.052 1.00 0.00 N ATOM 74 CA THR A 13 -6.138 -6.695 -5.889 1.00 0.00 C ATOM 75 C THR A 13 -7.008 -5.493 -6.038 1.00 0.00 C ATOM 76 O THR A 13 -7.955 -5.444 -6.821 1.00 0.00 O ATOM 77 CB THR A 13 -4.938 -6.503 -6.767 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.236 -6.643 -8.148 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.871 -7.549 -6.402 1.00 0.00 C ATOM 0 H THR A 13 -6.869 -8.264 -7.011 1.00 0.00 H new ATOM 0 HA THR A 13 -5.768 -6.797 -4.869 1.00 0.00 H new ATOM 0 HB THR A 13 -4.583 -5.486 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.420 -6.507 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.996 -7.414 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.583 -7.426 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.276 -8.550 -6.551 1.00 0.00 H new ATOM 87 N PHE A 14 -6.680 -4.449 -5.256 1.00 0.00 N ATOM 88 CA PHE A 14 -7.289 -3.157 -5.327 1.00 0.00 C ATOM 89 C PHE A 14 -6.189 -2.166 -5.490 1.00 0.00 C ATOM 90 O PHE A 14 -5.365 -1.966 -4.598 1.00 0.00 O ATOM 91 CB PHE A 14 -8.244 -2.752 -4.189 1.00 0.00 C ATOM 92 CG PHE A 14 -7.924 -3.179 -2.798 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.779 -4.502 -2.454 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.901 -2.243 -1.792 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.520 -4.882 -1.158 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.640 -2.607 -0.492 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.444 -3.929 -0.170 1.00 0.00 C ATOM 0 H PHE A 14 -5.956 -4.509 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.970 -3.188 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.318 -1.665 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.233 -3.140 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.870 -5.260 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.091 -1.206 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.377 -5.925 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.589 -1.852 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.232 -4.216 0.849 1.00 0.00 H new ATOM 107 N GLU A 15 -6.130 -1.505 -6.659 1.00 0.00 N ATOM 108 CA GLU A 15 -5.264 -0.390 -6.893 1.00 0.00 C ATOM 109 C GLU A 15 -5.934 0.872 -6.469 1.00 0.00 C ATOM 110 O GLU A 15 -6.610 1.565 -7.228 1.00 0.00 O ATOM 111 CB GLU A 15 -4.772 -0.370 -8.350 1.00 0.00 C ATOM 112 CG GLU A 15 -3.275 -0.058 -8.372 1.00 0.00 C ATOM 113 CD GLU A 15 -2.670 -0.071 -9.769 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.395 -1.171 -10.319 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.458 1.035 -10.334 1.00 0.00 O ATOM 0 H GLU A 15 -6.702 -1.753 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.366 -0.488 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.962 -1.333 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.320 0.379 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.110 0.921 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.752 -0.786 -7.752 1.00 0.00 H new ATOM 122 N VAL A 16 -5.800 1.181 -5.167 1.00 0.00 N ATOM 123 CA VAL A 16 -6.264 2.362 -4.508 1.00 0.00 C ATOM 124 C VAL A 16 -5.457 3.536 -4.946 1.00 0.00 C ATOM 125 O VAL A 16 -4.299 3.373 -5.325 1.00 0.00 O ATOM 126 CB VAL A 16 -6.102 2.158 -3.030 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.617 3.349 -2.205 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.863 0.890 -2.607 1.00 0.00 C ATOM 0 H VAL A 16 -5.326 0.549 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.309 2.549 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.034 2.060 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.474 3.145 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.065 4.248 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.678 3.499 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.748 0.738 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.920 1.003 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.461 0.029 -3.141 1.00 0.00 H new ATOM 138 N GLU A 17 -5.992 4.770 -4.923 1.00 0.00 N ATOM 139 CA GLU A 17 -5.218 5.970 -5.008 1.00 0.00 C ATOM 140 C GLU A 17 -5.600 6.866 -3.881 1.00 0.00 C ATOM 141 O GLU A 17 -6.775 7.062 -3.575 1.00 0.00 O ATOM 142 CB GLU A 17 -5.260 6.626 -6.398 1.00 0.00 C ATOM 143 CG GLU A 17 -6.001 7.951 -6.589 1.00 0.00 C ATOM 144 CD GLU A 17 -7.521 7.886 -6.525 1.00 0.00 C ATOM 145 OE1 GLU A 17 -8.141 6.793 -6.619 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.134 8.978 -6.386 1.00 0.00 O ATOM 0 H GLU A 17 -6.995 4.938 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.161 5.728 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.229 6.781 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.701 5.904 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.656 8.650 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.716 8.367 -7.556 1.00 0.00 H new ATOM 153 N LEU A 18 -4.594 7.401 -3.166 1.00 0.00 N ATOM 154 CA LEU A 18 -4.788 8.221 -2.011 1.00 0.00 C ATOM 155 C LEU A 18 -3.999 9.479 -2.136 1.00 0.00 C ATOM 156 O LEU A 18 -3.094 9.589 -2.962 1.00 0.00 O ATOM 157 CB LEU A 18 -4.259 7.529 -0.743 1.00 0.00 C ATOM 158 CG LEU A 18 -4.878 6.155 -0.435 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.155 5.585 0.797 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.401 6.223 -0.235 1.00 0.00 C ATOM 0 H LEU A 18 -3.612 7.258 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.859 8.411 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.180 7.409 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.433 8.186 0.109 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.740 5.492 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.571 4.608 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.092 5.482 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.289 6.260 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.785 5.226 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.629 6.887 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.870 6.605 -1.142 1.00 0.00 H new ATOM 172 N ALA A 19 -4.284 10.444 -1.243 1.00 0.00 N ATOM 173 CA ALA A 19 -3.382 11.496 -0.892 1.00 0.00 C ATOM 174 C ALA A 19 -3.240 11.461 0.591 1.00 0.00 C ATOM 175 O ALA A 19 -4.224 11.291 1.310 1.00 0.00 O ATOM 176 CB ALA A 19 -3.884 12.857 -1.408 1.00 0.00 C ATOM 0 H ALA A 19 -5.174 10.493 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.408 11.355 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.177 13.637 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.973 12.824 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.858 13.075 -0.971 1.00 0.00 H new ATOM 182 N LYS A 20 -2.005 11.556 1.113 1.00 0.00 N ATOM 183 CA LYS A 20 -1.689 11.438 2.502 1.00 0.00 C ATOM 184 C LYS A 20 -2.331 12.478 3.357 1.00 0.00 C ATOM 185 O LYS A 20 -2.326 13.669 3.051 1.00 0.00 O ATOM 186 CB LYS A 20 -0.183 11.510 2.805 1.00 0.00 C ATOM 187 CG LYS A 20 0.785 10.822 1.839 1.00 0.00 C ATOM 188 CD LYS A 20 2.160 11.491 1.892 1.00 0.00 C ATOM 189 CE LYS A 20 3.304 10.662 1.305 1.00 0.00 C ATOM 190 NZ LYS A 20 4.588 11.378 1.482 1.00 0.00 N ATOM 0 H LYS A 20 -1.182 11.724 0.534 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.081 10.450 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.095 12.562 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.022 11.085 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.877 9.767 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.390 10.869 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.107 12.440 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.395 11.723 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.349 9.690 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.124 10.476 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.363 10.688 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.755 11.999 0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.549 11.951 2.349 1.00 0.00 H new ATOM 204 N THR A 21 -2.875 12.076 4.519 1.00 0.00 N ATOM 205 CA THR A 21 -3.351 12.962 5.536 1.00 0.00 C ATOM 206 C THR A 21 -2.225 13.380 6.417 1.00 0.00 C ATOM 207 O THR A 21 -1.986 12.787 7.468 1.00 0.00 O ATOM 208 CB THR A 21 -4.440 12.375 6.384 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.285 10.981 6.606 1.00 0.00 O ATOM 210 CG2 THR A 21 -5.796 12.618 5.698 1.00 0.00 C ATOM 0 H THR A 21 -2.988 11.091 4.760 1.00 0.00 H new ATOM 0 HA THR A 21 -3.776 13.819 5.013 1.00 0.00 H new ATOM 0 HB THR A 21 -4.388 12.866 7.356 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.339 10.740 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.594 12.194 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.958 13.690 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.798 12.143 4.717 1.00 0.00 H new ATOM 218 N ASP A 22 -1.487 14.420 5.987 1.00 0.00 N ATOM 219 CA ASP A 22 -0.375 15.027 6.649 1.00 0.00 C ATOM 220 C ASP A 22 0.772 14.111 6.901 1.00 0.00 C ATOM 221 O ASP A 22 1.191 13.883 8.035 1.00 0.00 O ATOM 222 CB ASP A 22 -0.815 15.843 7.876 1.00 0.00 C ATOM 223 CG ASP A 22 0.172 16.961 8.179 1.00 0.00 C ATOM 224 OD1 ASP A 22 0.409 17.794 7.263 1.00 0.00 O ATOM 225 OD2 ASP A 22 0.716 17.030 9.314 1.00 0.00 O ATOM 0 H ASP A 22 -1.689 14.874 5.096 1.00 0.00 H new ATOM 0 HA ASP A 22 0.039 15.744 5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.804 16.266 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.900 15.186 8.741 1.00 0.00 H new ATOM 230 N GLY A 23 1.351 13.544 5.828 1.00 0.00 N ATOM 231 CA GLY A 23 2.459 12.641 5.886 1.00 0.00 C ATOM 232 C GLY A 23 2.169 11.327 6.526 1.00 0.00 C ATOM 233 O GLY A 23 2.896 10.878 7.410 1.00 0.00 O ATOM 0 H GLY A 23 1.032 13.723 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.816 12.463 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.272 13.122 6.431 1.00 0.00 H new ATOM 237 N SER A 24 1.067 10.679 6.107 1.00 0.00 N ATOM 238 CA SER A 24 0.475 9.562 6.774 1.00 0.00 C ATOM 239 C SER A 24 -0.751 9.234 5.994 1.00 0.00 C ATOM 240 O SER A 24 -1.757 9.940 6.014 1.00 0.00 O ATOM 241 CB SER A 24 0.127 9.827 8.248 1.00 0.00 C ATOM 242 OG SER A 24 -0.528 8.741 8.889 1.00 0.00 O ATOM 0 H SER A 24 0.565 10.948 5.261 1.00 0.00 H new ATOM 0 HA SER A 24 1.188 8.738 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.043 10.058 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.510 10.709 8.308 1.00 0.00 H new ATOM 0 HG SER A 24 -0.717 8.977 9.821 1.00 0.00 H new ATOM 248 N LEU A 25 -0.692 8.121 5.240 1.00 0.00 N ATOM 249 CA LEU A 25 -1.804 7.435 4.658 1.00 0.00 C ATOM 250 C LEU A 25 -2.601 6.892 5.794 1.00 0.00 C ATOM 251 O LEU A 25 -3.815 7.035 5.934 1.00 0.00 O ATOM 252 CB LEU A 25 -1.308 6.226 3.849 1.00 0.00 C ATOM 253 CG LEU A 25 -0.155 6.468 2.862 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.606 5.155 2.612 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.632 7.140 1.563 1.00 0.00 C ATOM 0 H LEU A 25 0.196 7.670 5.023 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.370 8.108 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.995 5.454 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.153 5.824 3.290 1.00 0.00 H new ATOM 0 HG LEU A 25 0.542 7.176 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.422 5.335 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.011 4.785 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.075 4.414 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.218 7.290 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.368 6.503 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.084 8.104 1.797 1.00 0.00 H new ATOM 267 N GLY A 26 -1.870 6.258 6.727 1.00 0.00 N ATOM 268 CA GLY A 26 -2.394 5.891 8.007 1.00 0.00 C ATOM 269 C GLY A 26 -2.320 4.418 8.220 1.00 0.00 C ATOM 270 O GLY A 26 -3.228 3.810 8.783 1.00 0.00 O ATOM 0 H GLY A 26 -0.894 5.994 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.836 6.403 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.430 6.221 8.086 1.00 0.00 H new ATOM 274 N ILE A 27 -1.217 3.816 7.739 1.00 0.00 N ATOM 275 CA ILE A 27 -0.967 2.423 7.942 1.00 0.00 C ATOM 276 C ILE A 27 0.259 2.227 8.766 1.00 0.00 C ATOM 277 O ILE A 27 1.322 2.780 8.488 1.00 0.00 O ATOM 278 CB ILE A 27 -0.962 1.671 6.645 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.103 2.364 5.574 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.435 1.554 6.218 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.136 1.482 4.348 1.00 0.00 C ATOM 0 H ILE A 27 -0.494 4.299 7.206 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.788 1.993 8.515 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.510 0.687 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.592 3.287 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.857 2.643 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.498 1.013 5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.994 1.016 6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.858 2.551 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.748 2.022 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.651 0.570 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.820 1.224 3.893 1.00 0.00 H new ATOM 293 N SER A 28 0.106 1.432 9.840 1.00 0.00 N ATOM 294 CA SER A 28 1.149 0.851 10.627 1.00 0.00 C ATOM 295 C SER A 28 1.767 -0.346 9.989 1.00 0.00 C ATOM 296 O SER A 28 1.205 -1.439 9.999 1.00 0.00 O ATOM 297 CB SER A 28 0.637 0.292 11.965 1.00 0.00 C ATOM 298 OG SER A 28 0.241 1.334 12.844 1.00 0.00 O ATOM 0 H SER A 28 -0.820 1.176 10.184 1.00 0.00 H new ATOM 0 HA SER A 28 1.852 1.676 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.207 -0.374 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.419 -0.305 12.435 1.00 0.00 H new ATOM 0 HG SER A 28 -0.081 0.948 13.685 1.00 0.00 H new ATOM 304 N VAL A 29 2.985 -0.237 9.429 1.00 0.00 N ATOM 305 CA VAL A 29 3.515 -1.305 8.639 1.00 0.00 C ATOM 306 C VAL A 29 4.178 -2.429 9.357 1.00 0.00 C ATOM 307 O VAL A 29 5.105 -2.261 10.148 1.00 0.00 O ATOM 308 CB VAL A 29 4.349 -0.750 7.522 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.408 0.098 6.651 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.549 0.064 8.035 1.00 0.00 C ATOM 0 H VAL A 29 3.594 0.576 9.520 1.00 0.00 H new ATOM 0 HA VAL A 29 2.637 -1.809 8.235 1.00 0.00 H new ATOM 0 HB VAL A 29 4.790 -1.559 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.969 0.526 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.607 -0.531 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.980 0.900 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.120 0.443 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.191 0.901 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.187 -0.574 8.646 1.00 0.00 H new ATOM 320 N THR A 30 3.719 -3.668 9.107 1.00 0.00 N ATOM 321 CA THR A 30 4.196 -4.904 9.646 1.00 0.00 C ATOM 322 C THR A 30 4.702 -5.806 8.575 1.00 0.00 C ATOM 323 O THR A 30 4.406 -5.654 7.391 1.00 0.00 O ATOM 324 CB THR A 30 3.172 -5.619 10.477 1.00 0.00 C ATOM 325 OG1 THR A 30 3.541 -6.889 10.991 1.00 0.00 O ATOM 326 CG2 THR A 30 1.857 -5.830 9.707 1.00 0.00 C ATOM 0 H THR A 30 2.940 -3.816 8.466 1.00 0.00 H new ATOM 0 HA THR A 30 5.021 -4.638 10.307 1.00 0.00 H new ATOM 0 HB THR A 30 3.065 -4.940 11.323 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.800 -7.258 11.515 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.142 -6.351 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.447 -4.863 9.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.049 -6.426 8.815 1.00 0.00 H new ATOM 334 N GLY A 31 5.513 -6.807 8.963 1.00 0.00 N ATOM 335 CA GLY A 31 6.088 -7.785 8.092 1.00 0.00 C ATOM 336 C GLY A 31 7.353 -7.334 7.447 1.00 0.00 C ATOM 337 O GLY A 31 8.162 -6.612 8.027 1.00 0.00 O ATOM 0 H GLY A 31 5.782 -6.941 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.283 -8.695 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.365 -8.040 7.317 1.00 0.00 H new ATOM 341 N GLY A 32 7.560 -7.771 6.192 1.00 0.00 N ATOM 342 CA GLY A 32 8.711 -7.459 5.403 1.00 0.00 C ATOM 343 C GLY A 32 9.578 -8.658 5.225 1.00 0.00 C ATOM 344 O GLY A 32 9.413 -9.677 5.893 1.00 0.00 O ATOM 0 H GLY A 32 6.893 -8.370 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.398 -7.085 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.280 -6.662 5.883 1.00 0.00 H new ATOM 348 N VAL A 33 10.580 -8.575 4.331 1.00 0.00 N ATOM 349 CA VAL A 33 11.481 -9.648 4.047 1.00 0.00 C ATOM 350 C VAL A 33 12.391 -10.022 5.165 1.00 0.00 C ATOM 351 O VAL A 33 13.092 -11.031 5.090 1.00 0.00 O ATOM 352 CB VAL A 33 12.324 -9.395 2.832 1.00 0.00 C ATOM 353 CG1 VAL A 33 11.415 -9.276 1.597 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.250 -8.178 3.001 1.00 0.00 C ATOM 0 H VAL A 33 10.769 -7.733 3.788 1.00 0.00 H new ATOM 0 HA VAL A 33 10.803 -10.483 3.873 1.00 0.00 H new ATOM 0 HB VAL A 33 12.993 -10.244 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.025 -9.092 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.856 -10.203 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.719 -8.449 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.838 -8.039 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.650 -7.287 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.919 -8.345 3.845 1.00 0.00 H new ATOM 364 N ASN A 34 12.416 -9.248 6.265 1.00 0.00 N ATOM 365 CA ASN A 34 13.192 -9.547 7.428 1.00 0.00 C ATOM 366 C ASN A 34 12.842 -10.821 8.117 1.00 0.00 C ATOM 367 O ASN A 34 13.688 -11.415 8.785 1.00 0.00 O ATOM 368 CB ASN A 34 13.216 -8.403 8.457 1.00 0.00 C ATOM 369 CG ASN A 34 11.851 -8.037 9.024 1.00 0.00 C ATOM 370 OD1 ASN A 34 11.427 -8.513 10.076 1.00 0.00 O ATOM 371 ND2 ASN A 34 11.123 -7.136 8.311 1.00 0.00 N ATOM 0 H ASN A 34 11.878 -8.385 6.347 1.00 0.00 H new ATOM 0 HA ASN A 34 14.191 -9.675 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.874 -8.684 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.650 -7.519 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.206 -6.842 8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.495 -6.754 7.441 1.00 0.00 H new ATOM 378 N THR A 35 11.586 -11.285 8.003 1.00 0.00 N ATOM 379 CA THR A 35 11.120 -12.457 8.677 1.00 0.00 C ATOM 380 C THR A 35 10.257 -13.269 7.774 1.00 0.00 C ATOM 381 O THR A 35 10.290 -13.128 6.552 1.00 0.00 O ATOM 382 CB THR A 35 10.482 -12.116 9.991 1.00 0.00 C ATOM 383 OG1 THR A 35 10.326 -13.244 10.838 1.00 0.00 O ATOM 384 CG2 THR A 35 9.129 -11.400 9.842 1.00 0.00 C ATOM 0 H THR A 35 10.875 -10.834 7.427 1.00 0.00 H new ATOM 0 HA THR A 35 11.973 -13.087 8.930 1.00 0.00 H new ATOM 0 HB THR A 35 11.183 -11.424 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.380 -13.352 11.068 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.722 -11.182 10.829 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.269 -10.469 9.293 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.436 -12.041 9.297 1.00 0.00 H new ATOM 392 N SER A 36 9.468 -14.204 8.331 1.00 0.00 N ATOM 393 CA SER A 36 8.653 -15.144 7.625 1.00 0.00 C ATOM 394 C SER A 36 7.327 -14.565 7.270 1.00 0.00 C ATOM 395 O SER A 36 6.384 -14.634 8.055 1.00 0.00 O ATOM 396 CB SER A 36 8.397 -16.410 8.458 1.00 0.00 C ATOM 397 OG SER A 36 9.614 -17.004 8.884 1.00 0.00 O ATOM 0 H SER A 36 9.395 -14.310 9.343 1.00 0.00 H new ATOM 0 HA SER A 36 9.206 -15.396 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.789 -16.159 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.827 -17.127 7.867 1.00 0.00 H new ATOM 0 HG SER A 36 9.419 -17.806 9.413 1.00 0.00 H new ATOM 403 N VAL A 37 7.201 -13.974 6.068 1.00 0.00 N ATOM 404 CA VAL A 37 5.975 -13.454 5.544 1.00 0.00 C ATOM 405 C VAL A 37 5.466 -14.418 4.528 1.00 0.00 C ATOM 406 O VAL A 37 5.365 -15.615 4.789 1.00 0.00 O ATOM 407 CB VAL A 37 6.138 -12.056 5.027 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.176 -11.080 6.215 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.404 -11.874 4.172 1.00 0.00 C ATOM 0 H VAL A 37 7.990 -13.853 5.432 1.00 0.00 H new ATOM 0 HA VAL A 37 5.229 -13.361 6.334 1.00 0.00 H new ATOM 0 HB VAL A 37 5.286 -11.849 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.294 -10.061 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.246 -11.156 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.015 -11.330 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.465 -10.842 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.284 -12.110 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.361 -12.542 3.311 1.00 0.00 H new ATOM 419 N ARG A 38 5.103 -13.966 3.314 1.00 0.00 N ATOM 420 CA ARG A 38 4.935 -14.788 2.157 1.00 0.00 C ATOM 421 C ARG A 38 6.261 -14.876 1.483 1.00 0.00 C ATOM 422 O ARG A 38 7.154 -15.610 1.905 1.00 0.00 O ATOM 423 CB ARG A 38 3.840 -14.174 1.268 1.00 0.00 C ATOM 424 CG ARG A 38 3.365 -14.945 0.036 1.00 0.00 C ATOM 425 CD ARG A 38 2.308 -16.018 0.303 1.00 0.00 C ATOM 426 NE ARG A 38 3.005 -17.253 0.763 1.00 0.00 N ATOM 427 CZ ARG A 38 2.503 -18.128 1.681 1.00 0.00 C ATOM 428 NH1 ARG A 38 1.276 -17.975 2.257 1.00 0.00 N ATOM 429 NH2 ARG A 38 3.255 -19.219 2.012 1.00 0.00 N ATOM 0 H ARG A 38 4.918 -12.980 3.131 1.00 0.00 H new ATOM 0 HA ARG A 38 4.608 -15.799 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.969 -13.992 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.198 -13.202 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.962 -14.233 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.229 -15.418 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.602 -15.676 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.734 -16.220 -0.601 1.00 0.00 H new ATOM 0 HE ARG A 38 3.921 -17.458 0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.690 -17.179 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.944 -18.657 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.166 -19.362 1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.906 -19.891 2.695 1.00 0.00 H new ATOM 443 N HIS A 39 6.490 -14.085 0.419 1.00 0.00 N ATOM 444 CA HIS A 39 7.751 -14.016 -0.252 1.00 0.00 C ATOM 445 C HIS A 39 8.166 -12.611 -0.525 1.00 0.00 C ATOM 446 O HIS A 39 9.010 -12.358 -1.384 1.00 0.00 O ATOM 447 CB HIS A 39 7.710 -14.849 -1.544 1.00 0.00 C ATOM 448 CG HIS A 39 6.414 -14.802 -2.298 1.00 0.00 C ATOM 449 ND1 HIS A 39 5.840 -13.593 -2.631 1.00 0.00 N ATOM 450 CD2 HIS A 39 5.659 -15.827 -2.773 1.00 0.00 C ATOM 451 CE1 HIS A 39 4.741 -13.897 -3.296 1.00 0.00 C ATOM 452 NE2 HIS A 39 4.585 -15.243 -3.414 1.00 0.00 N ATOM 0 H HIS A 39 5.778 -13.477 0.014 1.00 0.00 H new ATOM 0 HA HIS A 39 8.505 -14.439 0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.507 -14.506 -2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.928 -15.887 -1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.859 -16.883 -2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.052 -13.168 -3.696 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.821 -15.728 -3.885 1.00 0.00 H new ATOM 460 N GLY A 40 7.647 -11.627 0.231 1.00 0.00 N ATOM 461 CA GLY A 40 8.033 -10.257 0.084 1.00 0.00 C ATOM 462 C GLY A 40 6.839 -9.383 -0.086 1.00 0.00 C ATOM 463 O GLY A 40 5.954 -9.619 -0.907 1.00 0.00 O ATOM 0 H GLY A 40 6.948 -11.785 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.600 -9.939 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.692 -10.151 -0.778 1.00 0.00 H new ATOM 467 N GLY A 41 6.779 -8.313 0.727 1.00 0.00 N ATOM 468 CA GLY A 41 5.780 -7.293 0.656 1.00 0.00 C ATOM 469 C GLY A 41 5.779 -6.646 1.998 1.00 0.00 C ATOM 470 O GLY A 41 6.494 -7.110 2.886 1.00 0.00 O ATOM 0 H GLY A 41 7.460 -8.152 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.010 -6.571 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.803 -7.716 0.423 1.00 0.00 H new ATOM 474 N ILE A 42 4.970 -5.593 2.202 1.00 0.00 N ATOM 475 CA ILE A 42 4.710 -5.102 3.521 1.00 0.00 C ATOM 476 C ILE A 42 3.254 -5.306 3.755 1.00 0.00 C ATOM 477 O ILE A 42 2.472 -5.498 2.824 1.00 0.00 O ATOM 478 CB ILE A 42 5.250 -3.733 3.808 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.606 -3.543 5.291 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.343 -2.554 3.412 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.861 -4.302 5.722 1.00 0.00 C ATOM 0 H ILE A 42 4.496 -5.082 1.457 1.00 0.00 H new ATOM 0 HA ILE A 42 5.276 -5.664 4.264 1.00 0.00 H new ATOM 0 HB ILE A 42 6.135 -3.704 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.749 -2.481 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.765 -3.871 5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.835 -1.615 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.153 -2.586 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.398 -2.625 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.050 -4.121 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.715 -5.370 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.714 -3.958 5.137 1.00 0.00 H new ATOM 493 N TYR A 43 2.810 -5.379 5.023 1.00 0.00 N ATOM 494 CA TYR A 43 1.469 -5.769 5.329 1.00 0.00 C ATOM 495 C TYR A 43 0.944 -4.763 6.296 1.00 0.00 C ATOM 496 O TYR A 43 1.687 -3.996 6.907 1.00 0.00 O ATOM 497 CB TYR A 43 1.455 -7.142 6.022 1.00 0.00 C ATOM 498 CG TYR A 43 1.872 -8.246 5.113 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.191 -8.490 4.816 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.904 -9.073 4.592 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.538 -9.502 3.953 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.246 -10.115 3.764 1.00 0.00 C ATOM 503 CZ TYR A 43 2.564 -10.318 3.427 1.00 0.00 C ATOM 504 OH TYR A 43 2.914 -11.367 2.551 1.00 0.00 O ATOM 0 H TYR A 43 3.383 -5.167 5.840 1.00 0.00 H new ATOM 0 HA TYR A 43 0.875 -5.826 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.120 -7.116 6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.452 -7.345 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.962 -7.881 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.134 -8.902 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.574 -9.656 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.481 -10.773 3.379 1.00 0.00 H new ATOM 0 HH TYR A 43 2.105 -11.845 2.274 1.00 0.00 H new ATOM 514 N VAL A 44 -0.390 -4.690 6.444 1.00 0.00 N ATOM 515 CA VAL A 44 -1.069 -3.785 7.318 1.00 0.00 C ATOM 516 C VAL A 44 -1.196 -4.345 8.693 1.00 0.00 C ATOM 517 O VAL A 44 -1.674 -5.463 8.881 1.00 0.00 O ATOM 518 CB VAL A 44 -2.443 -3.642 6.733 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.376 -2.746 7.565 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.375 -3.088 5.299 1.00 0.00 C ATOM 0 H VAL A 44 -1.028 -5.294 5.927 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.526 -2.843 7.399 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.863 -4.648 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.351 -2.689 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.490 -3.168 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.949 -1.746 7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.384 -2.994 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.896 -2.109 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.797 -3.768 4.673 1.00 0.00 H new ATOM 530 N LYS A 45 -0.799 -3.604 9.743 1.00 0.00 N ATOM 531 CA LYS A 45 -1.000 -3.978 11.109 1.00 0.00 C ATOM 532 C LYS A 45 -2.182 -3.291 11.701 1.00 0.00 C ATOM 533 O LYS A 45 -2.900 -3.842 12.535 1.00 0.00 O ATOM 534 CB LYS A 45 0.216 -3.641 11.988 1.00 0.00 C ATOM 535 CG LYS A 45 0.213 -4.228 13.401 1.00 0.00 C ATOM 536 CD LYS A 45 0.185 -5.757 13.445 1.00 0.00 C ATOM 537 CE LYS A 45 0.209 -6.311 14.871 1.00 0.00 C ATOM 538 NZ LYS A 45 0.142 -7.790 14.851 1.00 0.00 N ATOM 0 H LYS A 45 -0.320 -2.710 9.637 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.158 -5.056 11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.115 -3.986 11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.291 -2.557 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.099 -3.877 13.930 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.653 -3.844 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.711 -6.114 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.041 -6.147 12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.118 -5.989 15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.631 -5.910 15.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.159 -8.152 15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.738 -8.091 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.958 -8.167 14.327 1.00 0.00 H new ATOM 552 N ALA A 46 -2.411 -2.029 11.295 1.00 0.00 N ATOM 553 CA ALA A 46 -3.444 -1.207 11.842 1.00 0.00 C ATOM 554 C ALA A 46 -3.838 -0.150 10.869 1.00 0.00 C ATOM 555 O ALA A 46 -2.998 0.506 10.256 1.00 0.00 O ATOM 556 CB ALA A 46 -2.998 -0.588 13.178 1.00 0.00 C ATOM 0 H ALA A 46 -1.863 -1.569 10.568 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.315 -1.832 12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.800 0.034 13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.768 -1.382 13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.110 0.024 13.017 1.00 0.00 H new ATOM 562 N ILE A 47 -5.159 0.031 10.691 1.00 0.00 N ATOM 563 CA ILE A 47 -5.748 1.058 9.887 1.00 0.00 C ATOM 564 C ILE A 47 -6.184 2.116 10.841 1.00 0.00 C ATOM 565 O ILE A 47 -7.038 1.882 11.695 1.00 0.00 O ATOM 566 CB ILE A 47 -6.947 0.617 9.100 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.621 -0.560 8.164 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.560 1.787 8.311 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.468 -0.272 7.204 1.00 0.00 C ATOM 0 H ILE A 47 -5.854 -0.572 11.132 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.011 1.384 9.153 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.687 0.268 9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.373 -1.435 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.510 -0.812 7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.426 1.434 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.869 2.570 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.819 2.187 7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.292 -1.144 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.721 0.583 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.566 -0.049 7.775 1.00 0.00 H new ATOM 581 N ILE A 48 -5.591 3.320 10.756 1.00 0.00 N ATOM 582 CA ILE A 48 -5.897 4.329 11.722 1.00 0.00 C ATOM 583 C ILE A 48 -7.162 5.065 11.437 1.00 0.00 C ATOM 584 O ILE A 48 -7.459 5.328 10.272 1.00 0.00 O ATOM 585 CB ILE A 48 -4.793 5.320 11.944 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.562 6.233 10.728 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.563 4.526 12.415 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.294 7.081 10.814 1.00 0.00 C ATOM 0 H ILE A 48 -4.918 3.591 10.039 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.027 3.756 12.640 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.056 6.037 12.721 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.514 5.618 9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.421 6.894 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.733 5.211 12.589 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.801 4.002 13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.282 3.802 11.650 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.206 7.695 9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.346 7.725 11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.425 6.428 10.893 1.00 0.00 H new ATOM 600 N PRO A 49 -7.926 5.452 12.414 1.00 0.00 N ATOM 601 CA PRO A 49 -9.092 6.264 12.218 1.00 0.00 C ATOM 602 C PRO A 49 -8.750 7.700 12.014 1.00 0.00 C ATOM 603 O PRO A 49 -9.085 8.547 12.842 1.00 0.00 O ATOM 604 CB PRO A 49 -9.882 6.044 13.506 1.00 0.00 C ATOM 605 CG PRO A 49 -8.803 5.839 14.582 1.00 0.00 C ATOM 606 CD PRO A 49 -7.756 5.034 13.796 1.00 0.00 C ATOM 0 HA PRO A 49 -9.650 5.995 11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.515 6.901 13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.536 5.176 13.428 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.405 6.784 14.952 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.181 5.292 15.446 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.747 5.244 14.151 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.916 3.962 13.907 1.00 0.00 H new ATOM 614 N LYS A 50 -8.172 8.045 10.851 1.00 0.00 N ATOM 615 CA LYS A 50 -8.082 9.392 10.382 1.00 0.00 C ATOM 616 C LYS A 50 -8.951 9.546 9.181 1.00 0.00 C ATOM 617 O LYS A 50 -10.128 9.882 9.295 1.00 0.00 O ATOM 618 CB LYS A 50 -6.652 9.878 10.090 1.00 0.00 C ATOM 619 CG LYS A 50 -5.818 10.096 11.354 1.00 0.00 C ATOM 620 CD LYS A 50 -4.792 11.220 11.203 1.00 0.00 C ATOM 621 CE LYS A 50 -3.723 10.996 10.130 1.00 0.00 C ATOM 622 NZ LYS A 50 -2.889 12.210 9.992 1.00 0.00 N ATOM 0 H LYS A 50 -7.754 7.365 10.216 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.428 10.030 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.151 9.149 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.700 10.811 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.483 10.327 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.301 9.170 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.323 12.145 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.295 11.366 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.099 10.144 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.196 10.758 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.711 12.396 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.385 13.022 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.983 12.067 10.483 1.00 0.00 H new ATOM 636 N GLY A 51 -8.403 9.286 7.981 1.00 0.00 N ATOM 637 CA GLY A 51 -9.127 9.462 6.760 1.00 0.00 C ATOM 638 C GLY A 51 -8.257 9.654 5.566 1.00 0.00 C ATOM 639 O GLY A 51 -8.479 10.570 4.775 1.00 0.00 O ATOM 0 H GLY A 51 -7.448 8.950 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.764 8.592 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.786 10.325 6.860 1.00 0.00 H new ATOM 643 N ALA A 52 -7.262 8.775 5.344 1.00 0.00 N ATOM 644 CA ALA A 52 -6.586 8.683 4.088 1.00 0.00 C ATOM 645 C ALA A 52 -6.626 7.265 3.633 1.00 0.00 C ATOM 646 O ALA A 52 -7.410 6.907 2.754 1.00 0.00 O ATOM 647 CB ALA A 52 -5.163 9.261 4.144 1.00 0.00 C ATOM 0 H ALA A 52 -6.922 8.119 6.047 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.100 9.301 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.693 9.167 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.208 10.313 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.577 8.714 4.882 1.00 0.00 H new ATOM 653 N ALA A 53 -5.857 6.357 4.261 1.00 0.00 N ATOM 654 CA ALA A 53 -5.929 4.946 4.037 1.00 0.00 C ATOM 655 C ALA A 53 -7.239 4.358 4.431 1.00 0.00 C ATOM 656 O ALA A 53 -7.791 3.505 3.738 1.00 0.00 O ATOM 657 CB ALA A 53 -4.789 4.237 4.786 1.00 0.00 C ATOM 0 H ALA A 53 -5.155 6.617 4.954 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.825 4.792 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.851 3.163 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.830 4.609 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.877 4.436 5.854 1.00 0.00 H new ATOM 663 N GLU A 54 -7.846 4.852 5.526 1.00 0.00 N ATOM 664 CA GLU A 54 -9.198 4.534 5.866 1.00 0.00 C ATOM 665 C GLU A 54 -10.171 5.011 4.843 1.00 0.00 C ATOM 666 O GLU A 54 -11.177 4.361 4.564 1.00 0.00 O ATOM 667 CB GLU A 54 -9.605 5.107 7.233 1.00 0.00 C ATOM 668 CG GLU A 54 -10.988 4.604 7.653 1.00 0.00 C ATOM 669 CD GLU A 54 -11.483 5.157 8.983 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.968 6.319 9.008 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.481 4.400 9.989 1.00 0.00 O ATOM 0 H GLU A 54 -7.390 5.482 6.186 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.231 3.445 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.868 4.822 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.609 6.196 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.707 4.864 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.962 3.516 7.713 1.00 0.00 H new ATOM 678 N SER A 55 -9.886 6.158 4.202 1.00 0.00 N ATOM 679 CA SER A 55 -10.750 6.763 3.235 1.00 0.00 C ATOM 680 C SER A 55 -10.978 5.959 2.002 1.00 0.00 C ATOM 681 O SER A 55 -11.992 6.145 1.331 1.00 0.00 O ATOM 682 CB SER A 55 -10.313 8.179 2.823 1.00 0.00 C ATOM 683 OG SER A 55 -11.356 8.963 2.261 1.00 0.00 O ATOM 0 H SER A 55 -9.026 6.682 4.361 1.00 0.00 H new ATOM 0 HA SER A 55 -11.695 6.817 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.915 8.694 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.500 8.102 2.101 1.00 0.00 H new ATOM 0 HG SER A 55 -12.012 8.375 1.831 1.00 0.00 H new ATOM 689 N ASP A 56 -10.106 4.991 1.669 1.00 0.00 N ATOM 690 CA ASP A 56 -10.411 3.946 0.740 1.00 0.00 C ATOM 691 C ASP A 56 -11.430 3.037 1.334 1.00 0.00 C ATOM 692 O ASP A 56 -12.607 3.069 0.977 1.00 0.00 O ATOM 693 CB ASP A 56 -9.119 3.198 0.371 1.00 0.00 C ATOM 694 CG ASP A 56 -9.424 2.002 -0.520 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.873 2.215 -1.677 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.329 0.861 0.005 1.00 0.00 O ATOM 0 H ASP A 56 -9.164 4.933 2.055 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.829 4.362 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.435 3.875 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.615 2.863 1.278 1.00 0.00 H new ATOM 701 N GLY A 57 -11.007 2.170 2.272 1.00 0.00 N ATOM 702 CA GLY A 57 -11.899 1.388 3.071 1.00 0.00 C ATOM 703 C GLY A 57 -12.107 0.004 2.560 1.00 0.00 C ATOM 704 O GLY A 57 -12.938 -0.741 3.078 1.00 0.00 O ATOM 0 H GLY A 57 -10.022 2.009 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.510 1.335 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.863 1.894 3.124 1.00 0.00 H new ATOM 708 N ARG A 58 -11.342 -0.419 1.537 1.00 0.00 N ATOM 709 CA ARG A 58 -11.301 -1.777 1.093 1.00 0.00 C ATOM 710 C ARG A 58 -10.261 -2.523 1.854 1.00 0.00 C ATOM 711 O ARG A 58 -10.284 -3.751 1.938 1.00 0.00 O ATOM 712 CB ARG A 58 -11.029 -1.825 -0.420 1.00 0.00 C ATOM 713 CG ARG A 58 -12.070 -1.082 -1.260 1.00 0.00 C ATOM 714 CD ARG A 58 -11.674 -1.010 -2.737 1.00 0.00 C ATOM 715 NE ARG A 58 -12.629 -0.086 -3.410 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.761 -0.453 -4.078 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.068 -1.759 -4.326 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.580 0.529 -4.555 1.00 0.00 N ATOM 0 H ARG A 58 -10.734 0.203 1.003 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.264 -2.253 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.046 -1.398 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.994 -2.866 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.034 -1.583 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.197 -0.072 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.651 -0.649 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.711 -1.999 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.418 0.911 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.442 -2.499 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.924 -1.995 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.340 1.509 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.432 0.283 -5.058 1.00 0.00 H new ATOM 732 N ILE A 59 -9.323 -1.795 2.484 1.00 0.00 N ATOM 733 CA ILE A 59 -8.344 -2.305 3.394 1.00 0.00 C ATOM 734 C ILE A 59 -8.919 -2.637 4.728 1.00 0.00 C ATOM 735 O ILE A 59 -9.914 -2.069 5.173 1.00 0.00 O ATOM 736 CB ILE A 59 -7.170 -1.394 3.595 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.236 -0.099 2.768 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.907 -2.222 3.300 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.050 0.834 3.002 1.00 0.00 C ATOM 0 H ILE A 59 -9.243 -0.787 2.350 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.991 -3.216 2.911 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.164 -1.032 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.283 -0.355 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.158 0.430 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.023 -1.598 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.860 -3.070 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.942 -2.586 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.162 1.727 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.014 1.120 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.126 0.322 2.733 1.00 0.00 H new ATOM 751 N HIS A 60 -8.287 -3.588 5.439 1.00 0.00 N ATOM 752 CA HIS A 60 -8.509 -3.845 6.828 1.00 0.00 C ATOM 753 C HIS A 60 -7.214 -4.315 7.397 1.00 0.00 C ATOM 754 O HIS A 60 -6.222 -4.446 6.681 1.00 0.00 O ATOM 755 CB HIS A 60 -9.632 -4.880 7.014 1.00 0.00 C ATOM 756 CG HIS A 60 -10.003 -5.253 8.418 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.360 -4.288 9.337 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.121 -6.495 8.961 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.704 -4.959 10.421 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.578 -6.302 10.248 1.00 0.00 N ATOM 0 H HIS A 60 -7.589 -4.206 5.026 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.836 -2.946 7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.526 -4.499 6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.341 -5.790 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.902 -7.438 8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.045 -4.497 11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.782 -7.026 10.937 1.00 0.00 H new ATOM 768 N LYS A 61 -7.132 -4.562 8.716 1.00 0.00 N ATOM 769 CA LYS A 61 -5.888 -4.795 9.382 1.00 0.00 C ATOM 770 C LYS A 61 -5.340 -6.176 9.270 1.00 0.00 C ATOM 771 O LYS A 61 -5.026 -6.856 10.246 1.00 0.00 O ATOM 772 CB LYS A 61 -5.911 -4.286 10.833 1.00 0.00 C ATOM 773 CG LYS A 61 -6.969 -4.893 11.757 1.00 0.00 C ATOM 774 CD LYS A 61 -6.801 -4.393 13.193 1.00 0.00 C ATOM 775 CE LYS A 61 -7.819 -4.968 14.179 1.00 0.00 C ATOM 776 NZ LYS A 61 -9.175 -4.461 13.871 1.00 0.00 N ATOM 0 H LYS A 61 -7.944 -4.601 9.332 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.171 -4.194 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.930 -4.468 11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.056 -3.206 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.964 -4.636 11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.893 -5.980 11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.797 -4.642 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.880 -3.306 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.810 -6.057 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.544 -4.694 15.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.842 -4.791 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.162 -3.421 13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.475 -4.814 12.940 1.00 0.00 H new ATOM 790 N GLY A 62 -5.139 -6.637 8.022 1.00 0.00 N ATOM 791 CA GLY A 62 -4.527 -7.897 7.733 1.00 0.00 C ATOM 792 C GLY A 62 -4.113 -8.081 6.313 1.00 0.00 C ATOM 793 O GLY A 62 -3.596 -9.143 5.973 1.00 0.00 O ATOM 0 H GLY A 62 -5.411 -6.117 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.650 -8.014 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.223 -8.692 8.000 1.00 0.00 H new ATOM 797 N ASP A 63 -4.318 -7.080 5.440 1.00 0.00 N ATOM 798 CA ASP A 63 -4.029 -7.174 4.042 1.00 0.00 C ATOM 799 C ASP A 63 -2.593 -6.983 3.696 1.00 0.00 C ATOM 800 O ASP A 63 -1.774 -6.523 4.490 1.00 0.00 O ATOM 801 CB ASP A 63 -4.866 -6.157 3.248 1.00 0.00 C ATOM 802 CG ASP A 63 -6.352 -6.442 3.412 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.796 -7.573 3.081 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.094 -5.534 3.872 1.00 0.00 O ATOM 0 H ASP A 63 -4.698 -6.174 5.715 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.290 -8.197 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.644 -5.147 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.596 -6.201 2.193 1.00 0.00 H new ATOM 809 N ARG A 64 -2.235 -7.339 2.449 1.00 0.00 N ATOM 810 CA ARG A 64 -0.910 -7.246 1.919 1.00 0.00 C ATOM 811 C ARG A 64 -0.828 -6.072 1.006 1.00 0.00 C ATOM 812 O ARG A 64 -1.672 -5.907 0.127 1.00 0.00 O ATOM 813 CB ARG A 64 -0.604 -8.525 1.119 1.00 0.00 C ATOM 814 CG ARG A 64 0.769 -8.589 0.449 1.00 0.00 C ATOM 815 CD ARG A 64 0.961 -9.869 -0.367 1.00 0.00 C ATOM 816 NE ARG A 64 2.330 -9.819 -0.954 1.00 0.00 N ATOM 817 CZ ARG A 64 2.614 -9.927 -2.284 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.664 -10.103 -3.248 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.914 -9.855 -2.692 1.00 0.00 N ATOM 0 H ARG A 64 -2.905 -7.711 1.776 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.193 -7.131 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.698 -9.379 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.367 -8.638 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.893 -7.724 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.546 -8.528 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.846 -10.749 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.208 -9.941 -1.152 1.00 0.00 H new ATOM 0 HE ARG A 64 3.114 -9.695 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.679 -10.161 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.939 -10.177 -4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.657 -9.722 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.143 -9.934 -3.683 1.00 0.00 H new ATOM 833 N VAL A 65 0.201 -5.216 1.140 1.00 0.00 N ATOM 834 CA VAL A 65 0.516 -4.214 0.170 1.00 0.00 C ATOM 835 C VAL A 65 1.726 -4.665 -0.575 1.00 0.00 C ATOM 836 O VAL A 65 2.755 -5.023 -0.004 1.00 0.00 O ATOM 837 CB VAL A 65 0.591 -2.814 0.706 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.494 -2.735 1.948 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.019 -1.807 -0.375 1.00 0.00 C ATOM 0 H VAL A 65 0.830 -5.221 1.943 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.317 -4.122 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.415 -2.534 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.526 -1.707 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.096 -3.383 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.501 -3.059 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.060 -0.807 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.003 -2.079 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.297 -1.821 -1.191 1.00 0.00 H new ATOM 849 N LEU A 66 1.631 -4.732 -1.915 1.00 0.00 N ATOM 850 CA LEU A 66 2.664 -5.239 -2.764 1.00 0.00 C ATOM 851 C LEU A 66 3.358 -4.179 -3.550 1.00 0.00 C ATOM 852 O LEU A 66 4.536 -4.339 -3.865 1.00 0.00 O ATOM 853 CB LEU A 66 2.162 -6.357 -3.693 1.00 0.00 C ATOM 854 CG LEU A 66 0.886 -6.098 -4.513 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.942 -6.893 -5.828 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.368 -6.524 -3.733 1.00 0.00 C ATOM 0 H LEU A 66 0.805 -4.422 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 66 3.401 -5.667 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.964 -6.596 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.993 -7.246 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 66 0.831 -5.029 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.036 -6.706 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.811 -6.580 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.018 -7.958 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.255 -6.330 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.310 -7.588 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.429 -5.956 -2.804 1.00 0.00 H new ATOM 868 N ALA A 67 2.702 -3.056 -3.890 1.00 0.00 N ATOM 869 CA ALA A 67 3.387 -2.041 -4.630 1.00 0.00 C ATOM 870 C ALA A 67 2.826 -0.680 -4.398 1.00 0.00 C ATOM 871 O ALA A 67 1.707 -0.523 -3.914 1.00 0.00 O ATOM 872 CB ALA A 67 3.390 -2.369 -6.132 1.00 0.00 C ATOM 0 H ALA A 67 1.729 -2.853 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 67 4.414 -2.030 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.916 -1.584 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.893 -3.322 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.363 -2.434 -6.492 1.00 0.00 H new ATOM 878 N VAL A 68 3.609 0.367 -4.714 1.00 0.00 N ATOM 879 CA VAL A 68 3.247 1.735 -4.506 1.00 0.00 C ATOM 880 C VAL A 68 3.546 2.545 -5.720 1.00 0.00 C ATOM 881 O VAL A 68 4.710 2.648 -6.107 1.00 0.00 O ATOM 882 CB VAL A 68 4.006 2.321 -3.353 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.784 3.840 -3.255 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.554 1.619 -2.061 1.00 0.00 C ATOM 0 H VAL A 68 4.533 0.256 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 68 2.178 1.759 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 68 5.074 2.162 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.347 4.236 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.125 4.318 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.723 4.044 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.097 2.034 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.485 1.773 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.760 0.551 -2.136 1.00 0.00 H new ATOM 894 N ASN A 69 2.552 3.146 -6.398 1.00 0.00 N ATOM 895 CA ASN A 69 2.703 3.834 -7.642 1.00 0.00 C ATOM 896 C ASN A 69 3.249 2.991 -8.743 1.00 0.00 C ATOM 897 O ASN A 69 3.857 3.468 -9.700 1.00 0.00 O ATOM 898 CB ASN A 69 3.500 5.145 -7.525 1.00 0.00 C ATOM 899 CG ASN A 69 2.921 6.073 -6.465 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.879 5.834 -5.856 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.626 7.207 -6.211 1.00 0.00 N ATOM 0 H ASN A 69 1.590 3.152 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 69 1.679 4.090 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.538 4.918 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.504 5.654 -8.489 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.292 7.869 -5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.489 7.396 -6.721 1.00 0.00 H new ATOM 908 N GLY A 70 3.067 1.663 -8.628 1.00 0.00 N ATOM 909 CA GLY A 70 3.659 0.685 -9.488 1.00 0.00 C ATOM 910 C GLY A 70 5.030 0.267 -9.082 1.00 0.00 C ATOM 911 O GLY A 70 5.679 -0.513 -9.778 1.00 0.00 O ATOM 0 H GLY A 70 2.480 1.252 -7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.016 -0.195 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.698 1.084 -10.502 1.00 0.00 H new ATOM 915 N VAL A 71 5.522 0.753 -7.929 1.00 0.00 N ATOM 916 CA VAL A 71 6.821 0.456 -7.410 1.00 0.00 C ATOM 917 C VAL A 71 6.671 -0.655 -6.430 1.00 0.00 C ATOM 918 O VAL A 71 6.212 -0.487 -5.301 1.00 0.00 O ATOM 919 CB VAL A 71 7.561 1.580 -6.748 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.009 1.152 -6.459 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.565 2.807 -7.676 1.00 0.00 C ATOM 0 H VAL A 71 4.989 1.383 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 71 7.430 0.207 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 71 7.067 1.832 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.542 1.972 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.007 0.284 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.506 0.895 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.103 3.625 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.056 2.552 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.539 3.115 -7.876 1.00 0.00 H new ATOM 931 N SER A 72 7.034 -1.869 -6.880 1.00 0.00 N ATOM 932 CA SER A 72 7.053 -3.088 -6.133 1.00 0.00 C ATOM 933 C SER A 72 7.859 -3.051 -4.880 1.00 0.00 C ATOM 934 O SER A 72 8.984 -2.556 -4.820 1.00 0.00 O ATOM 935 CB SER A 72 7.521 -4.258 -7.014 1.00 0.00 C ATOM 936 OG SER A 72 8.765 -3.983 -7.642 1.00 0.00 O ATOM 0 H SER A 72 7.338 -2.008 -7.844 1.00 0.00 H new ATOM 0 HA SER A 72 6.020 -3.233 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.613 -5.157 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.768 -4.464 -7.775 1.00 0.00 H new ATOM 0 HG SER A 72 9.031 -4.750 -8.192 1.00 0.00 H new ATOM 942 N LEU A 73 7.289 -3.599 -3.794 1.00 0.00 N ATOM 943 CA LEU A 73 7.954 -3.759 -2.538 1.00 0.00 C ATOM 944 C LEU A 73 8.936 -4.878 -2.598 1.00 0.00 C ATOM 945 O LEU A 73 10.109 -4.659 -2.300 1.00 0.00 O ATOM 946 CB LEU A 73 6.930 -3.936 -1.403 1.00 0.00 C ATOM 947 CG LEU A 73 6.315 -2.604 -0.942 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.903 -2.789 -0.360 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.178 -1.911 0.126 1.00 0.00 C ATOM 0 H LEU A 73 6.329 -3.944 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 73 8.520 -2.853 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.134 -4.602 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.414 -4.420 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 73 6.265 -1.984 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.509 -1.822 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.250 -3.219 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.949 -3.457 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.707 -0.974 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.273 -2.561 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.167 -1.706 -0.283 1.00 0.00 H new ATOM 961 N GLU A 74 8.502 -6.088 -2.996 1.00 0.00 N ATOM 962 CA GLU A 74 9.196 -7.323 -3.185 1.00 0.00 C ATOM 963 C GLU A 74 10.678 -7.322 -3.024 1.00 0.00 C ATOM 964 O GLU A 74 11.438 -7.109 -3.966 1.00 0.00 O ATOM 965 CB GLU A 74 8.803 -7.963 -4.528 1.00 0.00 C ATOM 966 CG GLU A 74 8.992 -9.480 -4.584 1.00 0.00 C ATOM 967 CD GLU A 74 8.668 -10.055 -5.956 1.00 0.00 C ATOM 968 OE1 GLU A 74 7.539 -9.837 -6.473 1.00 0.00 O ATOM 969 OE2 GLU A 74 9.549 -10.744 -6.535 1.00 0.00 O ATOM 0 H GLU A 74 7.514 -6.210 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 74 8.858 -7.923 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.758 -7.731 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.394 -7.506 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.022 -9.725 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.354 -9.951 -3.836 1.00 0.00 H new ATOM 976 N GLY A 75 11.135 -7.500 -1.772 1.00 0.00 N ATOM 977 CA GLY A 75 12.468 -7.190 -1.358 1.00 0.00 C ATOM 978 C GLY A 75 12.466 -6.284 -0.174 1.00 0.00 C ATOM 979 O GLY A 75 13.469 -6.149 0.526 1.00 0.00 O ATOM 0 H GLY A 75 10.555 -7.873 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.000 -8.110 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.007 -6.718 -2.180 1.00 0.00 H new ATOM 983 N ALA A 76 11.346 -5.589 0.091 1.00 0.00 N ATOM 984 CA ALA A 76 11.241 -4.632 1.147 1.00 0.00 C ATOM 985 C ALA A 76 11.036 -5.218 2.502 1.00 0.00 C ATOM 986 O ALA A 76 10.300 -6.181 2.713 1.00 0.00 O ATOM 987 CB ALA A 76 10.150 -3.594 0.831 1.00 0.00 C ATOM 0 H ALA A 76 10.486 -5.697 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 76 12.214 -4.143 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.085 -2.874 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.400 -3.073 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.191 -4.098 0.715 1.00 0.00 H new ATOM 993 N THR A 77 11.725 -4.642 3.504 1.00 0.00 N ATOM 994 CA THR A 77 11.666 -4.968 4.895 1.00 0.00 C ATOM 995 C THR A 77 11.005 -3.816 5.569 1.00 0.00 C ATOM 996 O THR A 77 10.355 -3.016 4.898 1.00 0.00 O ATOM 997 CB THR A 77 13.020 -5.294 5.454 1.00 0.00 C ATOM 998 OG1 THR A 77 13.013 -5.584 6.844 1.00 0.00 O ATOM 999 CG2 THR A 77 14.069 -4.203 5.183 1.00 0.00 C ATOM 0 H THR A 77 12.380 -3.882 3.322 1.00 0.00 H new ATOM 0 HA THR A 77 11.088 -5.876 5.066 1.00 0.00 H new ATOM 0 HB THR A 77 13.302 -6.199 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.917 -5.474 7.206 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.025 -4.502 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.183 -4.067 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.745 -3.266 5.635 1.00 0.00 H new ATOM 1007 N HIS A 78 11.126 -3.623 6.895 1.00 0.00 N ATOM 1008 CA HIS A 78 10.525 -2.552 7.626 1.00 0.00 C ATOM 1009 C HIS A 78 10.999 -1.211 7.180 1.00 0.00 C ATOM 1010 O HIS A 78 10.183 -0.346 6.867 1.00 0.00 O ATOM 1011 CB HIS A 78 10.719 -2.687 9.146 1.00 0.00 C ATOM 1012 CG HIS A 78 10.128 -1.589 9.979 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.467 -1.411 11.295 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.289 -0.569 9.658 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.890 -0.313 11.748 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.167 0.213 10.777 1.00 0.00 N ATOM 0 H HIS A 78 11.672 -4.248 7.488 1.00 0.00 H new ATOM 0 HA HIS A 78 9.460 -2.629 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.285 -3.634 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.788 -2.740 9.354 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.070 -2.029 11.839 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.810 -0.406 8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.992 0.088 12.746 1.00 0.00 H new ATOM 1025 N LYS A 79 12.321 -0.975 7.108 1.00 0.00 N ATOM 1026 CA LYS A 79 12.838 0.296 6.706 1.00 0.00 C ATOM 1027 C LYS A 79 12.532 0.604 5.281 1.00 0.00 C ATOM 1028 O LYS A 79 11.983 1.659 4.964 1.00 0.00 O ATOM 1029 CB LYS A 79 14.351 0.436 6.951 1.00 0.00 C ATOM 1030 CG LYS A 79 14.737 0.432 8.430 1.00 0.00 C ATOM 1031 CD LYS A 79 16.241 0.596 8.660 1.00 0.00 C ATOM 1032 CE LYS A 79 16.763 2.034 8.660 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.332 2.748 9.883 1.00 0.00 N ATOM 0 H LYS A 79 13.035 -1.669 7.330 1.00 0.00 H new ATOM 0 HA LYS A 79 12.328 1.021 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.869 -0.380 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.699 1.363 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.208 1.238 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.406 -0.503 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.495 0.138 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.770 0.038 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.851 2.031 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.396 2.559 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.766 3.693 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.296 2.842 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.631 2.211 10.722 1.00 0.00 H new ATOM 1047 N GLN A 80 12.822 -0.338 4.365 1.00 0.00 N ATOM 1048 CA GLN A 80 12.553 -0.229 2.965 1.00 0.00 C ATOM 1049 C GLN A 80 11.116 -0.037 2.623 1.00 0.00 C ATOM 1050 O GLN A 80 10.769 0.746 1.740 1.00 0.00 O ATOM 1051 CB GLN A 80 13.122 -1.464 2.246 1.00 0.00 C ATOM 1052 CG GLN A 80 13.860 -1.177 0.938 1.00 0.00 C ATOM 1053 CD GLN A 80 12.991 -0.602 -0.172 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.253 -1.317 -0.849 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.101 0.736 -0.387 1.00 0.00 N ATOM 0 H GLN A 80 13.267 -1.221 4.615 1.00 0.00 H new ATOM 0 HA GLN A 80 13.046 0.681 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.805 -1.976 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.303 -2.152 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.673 -0.480 1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.314 -2.102 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.723 1.297 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.561 1.179 -1.130 1.00 0.00 H new ATOM 1064 N ALA A 81 10.176 -0.701 3.321 1.00 0.00 N ATOM 1065 CA ALA A 81 8.780 -0.458 3.130 1.00 0.00 C ATOM 1066 C ALA A 81 8.339 0.918 3.495 1.00 0.00 C ATOM 1067 O ALA A 81 7.545 1.528 2.782 1.00 0.00 O ATOM 1068 CB ALA A 81 7.950 -1.454 3.957 1.00 0.00 C ATOM 0 H ALA A 81 10.386 -1.411 4.022 1.00 0.00 H new ATOM 0 HA ALA A 81 8.616 -0.581 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.889 -1.259 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.182 -2.471 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.191 -1.339 5.014 1.00 0.00 H new ATOM 1074 N VAL A 82 8.884 1.479 4.591 1.00 0.00 N ATOM 1075 CA VAL A 82 8.658 2.846 4.944 1.00 0.00 C ATOM 1076 C VAL A 82 9.122 3.762 3.862 1.00 0.00 C ATOM 1077 O VAL A 82 8.324 4.576 3.402 1.00 0.00 O ATOM 1078 CB VAL A 82 9.218 3.244 6.277 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.066 4.752 6.542 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.464 2.468 7.370 1.00 0.00 C ATOM 0 H VAL A 82 9.489 0.976 5.240 1.00 0.00 H new ATOM 0 HA VAL A 82 7.578 2.944 5.051 1.00 0.00 H new ATOM 0 HB VAL A 82 10.283 3.012 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.485 4.994 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.595 5.312 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.010 5.020 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.857 2.744 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.403 2.712 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.597 1.398 7.214 1.00 0.00 H new ATOM 1090 N GLU A 83 10.358 3.641 3.346 1.00 0.00 N ATOM 1091 CA GLU A 83 10.851 4.385 2.229 1.00 0.00 C ATOM 1092 C GLU A 83 9.936 4.438 1.053 1.00 0.00 C ATOM 1093 O GLU A 83 9.648 5.500 0.505 1.00 0.00 O ATOM 1094 CB GLU A 83 12.200 3.853 1.716 1.00 0.00 C ATOM 1095 CG GLU A 83 13.343 3.868 2.733 1.00 0.00 C ATOM 1096 CD GLU A 83 14.645 3.330 2.158 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.660 2.244 1.517 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.702 3.980 2.374 1.00 0.00 O ATOM 0 H GLU A 83 11.047 2.992 3.727 1.00 0.00 H new ATOM 0 HA GLU A 83 10.950 5.389 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.059 2.829 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.499 4.445 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.499 4.888 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.060 3.273 3.601 1.00 0.00 H new ATOM 1105 N THR A 84 9.409 3.262 0.667 1.00 0.00 N ATOM 1106 CA THR A 84 8.544 2.996 -0.439 1.00 0.00 C ATOM 1107 C THR A 84 7.220 3.677 -0.367 1.00 0.00 C ATOM 1108 O THR A 84 6.701 4.130 -1.385 1.00 0.00 O ATOM 1109 CB THR A 84 8.375 1.516 -0.618 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.640 0.877 -0.707 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.658 1.103 -1.915 1.00 0.00 C ATOM 0 H THR A 84 9.613 2.409 1.188 1.00 0.00 H new ATOM 0 HA THR A 84 9.036 3.423 -1.313 1.00 0.00 H new ATOM 0 HB THR A 84 7.783 1.221 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.019 0.776 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.581 0.017 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.659 1.538 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.225 1.461 -2.774 1.00 0.00 H new ATOM 1119 N LEU A 85 6.624 3.814 0.832 1.00 0.00 N ATOM 1120 CA LEU A 85 5.394 4.508 1.058 1.00 0.00 C ATOM 1121 C LEU A 85 5.571 5.950 1.387 1.00 0.00 C ATOM 1122 O LEU A 85 4.885 6.823 0.855 1.00 0.00 O ATOM 1123 CB LEU A 85 4.684 3.841 2.248 1.00 0.00 C ATOM 1124 CG LEU A 85 4.183 2.416 1.959 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.052 1.596 3.253 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.826 2.441 1.236 1.00 0.00 C ATOM 0 H LEU A 85 7.020 3.421 1.686 1.00 0.00 H new ATOM 0 HA LEU A 85 4.822 4.454 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.369 3.809 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.837 4.459 2.546 1.00 0.00 H new ATOM 0 HG LEU A 85 4.924 1.944 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.696 0.594 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.024 1.529 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.343 2.083 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.497 1.420 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.090 2.948 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.928 2.973 0.290 1.00 0.00 H new ATOM 1138 N ARG A 86 6.531 6.275 2.270 1.00 0.00 N ATOM 1139 CA ARG A 86 6.746 7.555 2.869 1.00 0.00 C ATOM 1140 C ARG A 86 7.343 8.538 1.921 1.00 0.00 C ATOM 1141 O ARG A 86 6.823 9.639 1.747 1.00 0.00 O ATOM 1142 CB ARG A 86 7.666 7.371 4.089 1.00 0.00 C ATOM 1143 CG ARG A 86 8.033 8.627 4.880 1.00 0.00 C ATOM 1144 CD ARG A 86 9.439 9.094 4.495 1.00 0.00 C ATOM 1145 NE ARG A 86 9.757 10.288 5.327 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.554 11.568 4.899 1.00 0.00 C ATOM 1147 NH1 ARG A 86 9.631 11.901 3.577 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.275 12.537 5.818 1.00 0.00 N ATOM 0 H ARG A 86 7.211 5.586 2.590 1.00 0.00 H new ATOM 0 HA ARG A 86 5.779 7.960 3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.186 6.669 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.590 6.904 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.310 9.418 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.990 8.419 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.167 8.301 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.484 9.342 3.435 1.00 0.00 H new ATOM 0 HE ARG A 86 10.144 10.142 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.845 11.185 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.475 12.865 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.221 12.300 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.121 13.498 5.514 1.00 0.00 H new ATOM 1162 N ASN A 87 8.458 8.187 1.255 1.00 0.00 N ATOM 1163 CA ASN A 87 9.269 9.133 0.554 1.00 0.00 C ATOM 1164 C ASN A 87 8.836 9.320 -0.858 1.00 0.00 C ATOM 1165 O ASN A 87 9.619 9.491 -1.791 1.00 0.00 O ATOM 1166 CB ASN A 87 10.751 8.733 0.647 1.00 0.00 C ATOM 1167 CG ASN A 87 11.589 9.994 0.807 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.481 10.661 1.834 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.422 10.329 -0.215 1.00 0.00 N ATOM 0 H ASN A 87 8.802 7.228 1.203 1.00 0.00 H new ATOM 0 HA ASN A 87 9.141 10.101 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.909 8.064 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.053 8.190 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.996 11.170 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.473 9.739 -1.046 1.00 0.00 H new ATOM 1176 N THR A 88 7.503 9.312 -1.044 1.00 0.00 N ATOM 1177 CA THR A 88 6.758 9.558 -2.239 1.00 0.00 C ATOM 1178 C THR A 88 6.421 11.007 -2.309 1.00 0.00 C ATOM 1179 O THR A 88 6.947 11.820 -1.549 1.00 0.00 O ATOM 1180 CB THR A 88 5.533 8.692 -2.198 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.784 8.916 -1.013 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.992 7.226 -2.128 1.00 0.00 C ATOM 0 H THR A 88 6.879 9.109 -0.263 1.00 0.00 H new ATOM 0 HA THR A 88 7.330 9.313 -3.134 1.00 0.00 H new ATOM 0 HB THR A 88 4.928 8.917 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.859 8.135 -0.426 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.120 6.573 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.591 6.990 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.591 7.075 -1.230 1.00 0.00 H new ATOM 1190 N GLY A 89 5.534 11.421 -3.231 1.00 0.00 N ATOM 1191 CA GLY A 89 5.047 12.764 -3.301 1.00 0.00 C ATOM 1192 C GLY A 89 3.826 12.922 -2.461 1.00 0.00 C ATOM 1193 O GLY A 89 3.857 12.755 -1.243 1.00 0.00 O ATOM 0 H GLY A 89 5.145 10.807 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.819 13.455 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.819 13.021 -4.336 1.00 0.00 H new ATOM 1197 N GLN A 90 2.688 13.244 -3.102 1.00 0.00 N ATOM 1198 CA GLN A 90 1.425 13.381 -2.446 1.00 0.00 C ATOM 1199 C GLN A 90 0.562 12.206 -2.754 1.00 0.00 C ATOM 1200 O GLN A 90 -0.011 11.607 -1.847 1.00 0.00 O ATOM 1201 CB GLN A 90 0.753 14.699 -2.864 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.552 14.995 -2.122 1.00 0.00 C ATOM 1203 CD GLN A 90 -1.040 16.410 -2.400 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -2.008 16.631 -3.124 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.349 17.413 -1.794 1.00 0.00 N ATOM 0 H GLN A 90 2.646 13.414 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 90 1.578 13.412 -1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.450 15.520 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.551 14.668 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.316 14.279 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.401 14.865 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.450 17.195 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.630 18.383 -1.935 1.00 0.00 H new ATOM 1214 N VAL A 91 0.449 11.804 -4.032 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.316 10.660 -4.420 1.00 0.00 C ATOM 1216 C VAL A 91 0.418 9.390 -4.159 1.00 0.00 C ATOM 1217 O VAL A 91 1.574 9.214 -4.539 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.804 10.688 -5.838 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.405 9.350 -6.301 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.869 11.795 -5.921 1.00 0.00 C ATOM 0 H VAL A 91 0.898 12.283 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.204 10.703 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 91 0.043 10.877 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.738 9.439 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.649 8.568 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.254 9.094 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.255 11.853 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.685 11.567 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.422 12.751 -5.647 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.272 8.453 -3.484 1.00 0.00 N ATOM 1231 CA VAL A 92 0.150 7.097 -3.321 1.00 0.00 C ATOM 1232 C VAL A 92 -0.941 6.247 -3.875 1.00 0.00 C ATOM 1233 O VAL A 92 -2.022 6.131 -3.298 1.00 0.00 O ATOM 1234 CB VAL A 92 0.432 6.764 -1.885 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.710 5.269 -1.651 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.664 7.567 -1.434 1.00 0.00 C ATOM 0 H VAL A 92 -1.165 8.650 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 92 1.088 6.922 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.459 7.020 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.906 5.097 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.157 4.685 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.578 4.965 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.886 7.339 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.520 7.299 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.461 8.633 -1.537 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.707 5.606 -5.033 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.493 4.515 -5.520 1.00 0.00 C ATOM 1248 C HIS A 93 -1.082 3.275 -4.801 1.00 0.00 C ATOM 1249 O HIS A 93 0.026 2.783 -5.011 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.358 4.238 -7.026 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.539 5.428 -7.921 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -2.655 5.922 -8.519 1.00 0.00 N flip ATOM 1253 CD2 HIS A 93 -0.429 6.155 -8.305 1.00 0.00 C flip ATOM 1254 CE1 HIS A 93 -2.234 6.995 -9.277 1.00 0.00 C flip ATOM 1255 NE2 HIS A 93 -0.889 7.097 -9.105 1.00 0.00 N flip ATOM 0 H HIS A 93 0.061 5.858 -5.656 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.530 4.798 -5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.372 3.812 -7.212 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.090 3.481 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.597 5.988 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.854 7.632 -9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -0.308 7.813 -9.541 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.923 2.716 -3.913 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.579 1.527 -3.196 1.00 0.00 C ATOM 1265 C LEU A 94 -1.991 0.317 -3.962 1.00 0.00 C ATOM 1266 O LEU A 94 -3.175 0.109 -4.223 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.164 1.366 -1.783 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.646 2.388 -0.757 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.666 2.586 0.376 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.255 1.986 -0.236 1.00 0.00 C ATOM 0 H LEU A 94 -2.846 3.089 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.500 1.630 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.249 1.447 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.939 0.362 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.529 3.352 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.280 3.313 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.606 2.950 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.837 1.636 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.090 2.724 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.314 1.009 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.446 1.940 -1.069 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.037 -0.562 -4.318 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.346 -1.851 -4.853 1.00 0.00 C ATOM 1284 C LEU A 95 -1.472 -2.805 -3.716 1.00 0.00 C ATOM 1285 O LEU A 95 -0.480 -3.300 -3.183 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.265 -2.298 -5.853 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.818 -3.050 -7.076 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.341 -3.617 -7.913 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.823 -4.151 -6.700 1.00 0.00 C ATOM 0 H LEU A 95 -0.038 -0.375 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.286 -1.818 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.283 -1.421 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.450 -2.939 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.374 -2.329 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.060 -4.148 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.978 -2.800 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.927 -4.305 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.177 -4.645 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.337 -4.882 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.669 -3.708 -6.174 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.726 -3.041 -3.293 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.112 -3.869 -2.192 1.00 0.00 C ATOM 1303 C LEU A 96 -3.684 -5.155 -2.681 1.00 0.00 C ATOM 1304 O LEU A 96 -4.402 -5.198 -3.679 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.162 -3.141 -1.336 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.576 -2.055 -0.418 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.568 -0.907 -0.171 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.130 -2.671 0.919 1.00 0.00 C ATOM 0 H LEU A 96 -3.531 -2.620 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.227 -4.079 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.901 -2.685 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.689 -3.874 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.710 -1.632 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.110 -0.165 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.830 -0.442 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.469 -1.300 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.717 -1.891 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.987 -3.129 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.369 -3.429 0.734 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.389 -6.267 -1.985 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.939 -7.566 -2.213 1.00 0.00 C ATOM 1322 C GLU A 97 -4.741 -7.967 -1.022 1.00 0.00 C ATOM 1323 O GLU A 97 -4.372 -7.729 0.127 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.844 -8.618 -2.459 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.308 -10.062 -2.667 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.179 -11.033 -2.979 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -0.991 -10.638 -3.118 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.489 -12.248 -3.099 1.00 0.00 O ATOM 0 H GLU A 97 -2.723 -6.257 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.563 -7.517 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.273 -8.315 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.159 -8.600 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.827 -10.399 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.031 -10.087 -3.482 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.891 -8.614 -1.282 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.812 -9.110 -0.307 1.00 0.00 C ATOM 1337 C LYS A 98 -6.244 -10.168 0.575 1.00 0.00 C ATOM 1338 O LYS A 98 -5.945 -11.276 0.131 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.010 -9.709 -1.063 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.251 -10.025 -0.224 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.148 -8.828 0.096 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.945 -8.301 -1.100 1.00 0.00 C ATOM 1343 NZ LYS A 98 -10.232 -7.224 -1.821 1.00 0.00 N ATOM 0 H LYS A 98 -6.197 -8.803 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.085 -8.275 0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.298 -9.015 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.683 -10.628 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.845 -10.772 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.929 -10.478 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.844 -9.111 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.530 -8.021 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.149 -9.122 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.909 -7.927 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.757 -6.332 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.278 -7.112 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.160 -7.470 -2.829 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.118 -9.906 1.889 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.640 -10.848 2.853 1.00 0.00 C ATOM 1359 C GLY A 99 -6.734 -11.686 3.420 1.00 0.00 C ATOM 1360 O GLY A 99 -6.834 -11.864 4.632 1.00 0.00 O ATOM 0 H GLY A 99 -6.359 -9.002 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.895 -11.494 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.139 -10.315 3.661 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.589 -12.250 2.547 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.696 -13.081 2.902 1.00 0.00 C ATOM 1366 C GLN A 100 -8.522 -14.422 2.276 1.00 0.00 C ATOM 1367 O GLN A 100 -8.095 -14.541 1.129 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.026 -12.421 2.500 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.263 -13.041 3.155 1.00 0.00 C ATOM 1370 CD GLN A 100 -12.380 -12.015 3.285 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.569 -11.433 4.352 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -13.131 -11.753 2.182 1.00 0.00 N ATOM 0 H GLN A 100 -7.502 -12.118 1.539 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.727 -13.210 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.985 -11.363 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.135 -12.481 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.608 -13.887 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.003 -13.428 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.950 -12.252 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.875 -11.057 2.225 1.00 0.00 H new ATOM 1381 N VAL A 101 -8.815 -15.492 3.037 1.00 0.00 N ATOM 1382 CA VAL A 101 -8.658 -16.854 2.631 1.00 0.00 C ATOM 1383 C VAL A 101 -9.835 -17.339 1.858 1.00 0.00 C ATOM 1384 O VAL A 101 -10.907 -16.757 2.016 1.00 0.00 O ATOM 1385 CB VAL A 101 -8.422 -17.748 3.813 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.000 -17.505 4.345 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -9.458 -17.513 4.925 1.00 0.00 C ATOM 0 H VAL A 101 -9.180 -15.401 3.985 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.784 -16.891 1.981 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.529 -18.784 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.818 -18.150 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.275 -17.730 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.897 -16.462 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.251 -18.180 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.401 -16.478 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.458 -17.714 4.539 1.00 0.00 H new ATOM 1397 N PRO A 102 -9.746 -18.341 1.035 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.865 -18.848 0.296 1.00 0.00 C ATOM 1399 C PRO A 102 -11.977 -19.368 1.140 1.00 0.00 C ATOM 1400 O PRO A 102 -13.166 -19.191 0.761 1.00 0.00 O ATOM 1401 CB PRO A 102 -10.295 -19.985 -0.550 1.00 0.00 C ATOM 1402 CG PRO A 102 -8.836 -19.564 -0.786 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.490 -18.902 0.558 1.00 0.00 C ATOM 1404 OXT PRO A 102 -11.715 -20.000 2.198 1.00 0.00 O ATOM 0 HA PRO A 102 -11.311 -18.038 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.357 -20.941 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.837 -20.097 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.192 -20.417 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.738 -18.872 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.089 -19.629 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.734 -18.127 0.433 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.165 -1.685 16.642 1.00 0.00 N ATOM 1414 CA TYR B 205 10.490 -2.891 17.012 1.00 0.00 C ATOM 1415 C TYR B 205 9.159 -2.938 16.346 1.00 0.00 C ATOM 1416 O TYR B 205 8.133 -3.108 17.004 1.00 0.00 O ATOM 1417 CB TYR B 205 10.319 -3.027 18.535 1.00 0.00 C ATOM 1418 CG TYR B 205 11.608 -3.234 19.251 1.00 0.00 C ATOM 1419 CD1 TYR B 205 12.365 -2.165 19.668 1.00 0.00 C ATOM 1420 CD2 TYR B 205 12.013 -4.504 19.589 1.00 0.00 C ATOM 1421 CE1 TYR B 205 13.492 -2.354 20.431 1.00 0.00 C ATOM 1422 CE2 TYR B 205 13.127 -4.707 20.370 1.00 0.00 C ATOM 1423 CZ TYR B 205 13.860 -3.627 20.801 1.00 0.00 C ATOM 1424 OH TYR B 205 14.972 -3.810 21.650 1.00 0.00 O ATOM 0 HA TYR B 205 11.107 -3.727 16.683 1.00 0.00 H new ATOM 0 HB2 TYR B 205 9.835 -2.130 18.922 1.00 0.00 H new ATOM 0 HB3 TYR B 205 9.654 -3.864 18.747 1.00 0.00 H new ATOM 0 HD1 TYR B 205 12.070 -1.163 19.392 1.00 0.00 H new ATOM 0 HD2 TYR B 205 11.448 -5.354 19.236 1.00 0.00 H new ATOM 0 HE1 TYR B 205 14.087 -1.507 20.739 1.00 0.00 H new ATOM 0 HE2 TYR B 205 13.424 -5.709 20.643 1.00 0.00 H new ATOM 0 HH TYR B 205 15.101 -4.767 21.819 1.00 0.00 H new ATOM 1434 N LEU B 206 9.143 -2.803 15.008 1.00 0.00 N ATOM 1435 CA LEU B 206 8.015 -2.875 14.133 1.00 0.00 C ATOM 1436 C LEU B 206 7.137 -1.671 14.136 1.00 0.00 C ATOM 1437 O LEU B 206 7.080 -0.918 15.107 1.00 0.00 O ATOM 1438 CB LEU B 206 7.178 -4.149 14.342 1.00 0.00 C ATOM 1439 CG LEU B 206 6.328 -4.668 13.171 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.239 -5.125 12.018 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.499 -5.848 13.704 1.00 0.00 C ATOM 0 H LEU B 206 10.005 -2.626 14.492 1.00 0.00 H new ATOM 0 HA LEU B 206 8.469 -2.915 13.143 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.858 -4.948 14.638 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.509 -3.972 15.184 1.00 0.00 H new ATOM 0 HG LEU B 206 5.676 -3.885 12.784 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.627 -5.491 11.194 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.843 -4.284 11.676 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.894 -5.924 12.366 1.00 0.00 H new ATOM 0 HD21 LEU B 206 4.878 -6.248 12.902 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.168 -6.627 14.069 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.862 -5.506 14.520 1.00 0.00 H new ATOM 1453 N VAL B 207 6.402 -1.449 13.032 1.00 0.00 N ATOM 1454 CA VAL B 207 5.327 -0.511 12.942 1.00 0.00 C ATOM 1455 C VAL B 207 5.747 0.917 12.877 1.00 0.00 C ATOM 1456 O VAL B 207 6.400 1.481 13.753 1.00 0.00 O ATOM 1457 CB VAL B 207 4.179 -0.803 13.863 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.305 0.428 14.158 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.342 -1.959 13.289 1.00 0.00 C ATOM 0 H VAL B 207 6.566 -1.949 12.158 1.00 0.00 H new ATOM 0 HA VAL B 207 4.906 -0.680 11.951 1.00 0.00 H new ATOM 0 HB VAL B 207 4.599 -1.097 14.825 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.494 0.146 14.830 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.913 1.202 14.627 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.888 0.810 13.226 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.508 -2.171 13.958 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.958 -1.678 12.308 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.966 -2.848 13.194 1.00 0.00 H new ATOM 1469 N THR B 208 5.358 1.575 11.771 1.00 0.00 N ATOM 1470 CA THR B 208 5.591 2.965 11.527 1.00 0.00 C ATOM 1471 C THR B 208 4.338 3.369 10.829 1.00 0.00 C ATOM 1472 O THR B 208 3.909 2.643 9.934 1.00 0.00 O ATOM 1473 CB THR B 208 6.749 3.233 10.613 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.961 2.714 11.139 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.967 4.737 10.375 1.00 0.00 C ATOM 0 H THR B 208 4.857 1.116 11.010 1.00 0.00 H new ATOM 0 HA THR B 208 5.826 3.496 12.450 1.00 0.00 H new ATOM 0 HB THR B 208 6.495 2.740 9.674 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.150 1.844 10.729 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.816 4.880 9.707 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.073 5.167 9.923 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.166 5.231 11.326 1.00 0.00 H new ATOM 1483 N SER B 209 3.700 4.482 11.235 1.00 0.00 N ATOM 1484 CA SER B 209 2.566 5.058 10.583 1.00 0.00 C ATOM 1485 C SER B 209 3.030 5.906 9.448 1.00 0.00 C ATOM 1486 O SER B 209 3.948 6.716 9.571 1.00 0.00 O ATOM 1487 CB SER B 209 1.616 5.841 11.503 1.00 0.00 C ATOM 1488 OG SER B 209 2.311 6.771 12.321 1.00 0.00 O ATOM 0 H SER B 209 3.991 5.006 12.060 1.00 0.00 H new ATOM 0 HA SER B 209 1.965 4.224 10.221 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.880 6.370 10.898 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.066 5.143 12.135 1.00 0.00 H new ATOM 0 HG SER B 209 1.671 7.249 12.889 1.00 0.00 H new ATOM 1494 N VAL B 210 2.446 5.707 8.254 1.00 0.00 N ATOM 1495 CA VAL B 210 2.994 6.204 7.031 1.00 0.00 C ATOM 1496 C VAL B 210 1.801 6.287 6.091 1.00 0.00 C ATOM 1497 O VAL B 210 0.767 5.605 6.323 1.00 0.00 O ATOM 1498 CB VAL B 210 4.104 5.341 6.507 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.651 3.892 6.264 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.675 5.961 5.220 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.864 7.138 5.163 1.00 0.00 O ATOM 0 H VAL B 210 1.575 5.190 8.135 1.00 0.00 H new ATOM 0 HA VAL B 210 3.473 7.175 7.156 1.00 0.00 H new ATOM 0 HB VAL B 210 4.885 5.299 7.267 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.489 3.307 5.885 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.300 3.459 7.201 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.842 3.881 5.534 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.481 5.333 4.840 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.887 6.033 4.470 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.062 6.957 5.436 1.00 0.00 H new TER 1511 VAL B 210