USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 504 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 X(o=-6.4,f=-6.6) USER MOD Set 1.2: A 10 MET CE :methyl 153:sc= -6.44! (180deg=-6.55!) USER MOD Set 2.1: A 1 MET CE :methyl -151:sc= -12.2! (180deg=-16.7!) USER MOD Set 2.2: A 12 CYS SG : rot 113:sc= -11.8! USER MOD Set 2.3: A 16 GLN : amide:sc= -11.9! C(o=-36!,f=-32!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 121:sc= 0.84 USER MOD Single : A 19 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.25) USER MOD Single : A 24 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.55) USER MOD Single : A 27 GLN : amide:sc= -2.35 K(o=-2.4,f=-0.56) USER MOD Single : A 29 GLN : amide:sc= -9.16! C(o=-9.2!,f=-11!) USER MOD Single : A 37 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.5) USER MOD Single : A 38 GLN : amide:sc= -1.98 K(o=-2,f=-4.4!) USER MOD Single : A 39 GLN : amide:sc= -1.34! X(o=-1.3!,f=-0.89) USER MOD Single : A 45 GLN : amide:sc= -0.509 K(o=-0.51,f=-2.9!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 49 HIS : no HD1:sc= -6.48! C(o=-6.5!,f=-4.7!) USER MOD Single : A 52 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.42) USER MOD Single : A 56 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.9!) USER MOD Single : A 61 GLN : amide:sc= -7.17! C(o=-7.2!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.642 1.718 2.696 1.00 0.00 N ATOM 2 CA MET A 1 13.487 1.965 1.784 1.00 0.00 C ATOM 3 C MET A 1 12.620 3.090 2.311 1.00 0.00 C ATOM 4 O MET A 1 12.660 3.437 3.474 1.00 0.00 O ATOM 5 CB MET A 1 12.674 0.682 1.785 1.00 0.00 C ATOM 6 CG MET A 1 12.065 0.485 0.410 1.00 0.00 C ATOM 7 SD MET A 1 10.409 1.194 0.349 1.00 0.00 S ATOM 8 CE MET A 1 9.819 0.161 -1.016 1.00 0.00 C ATOM 0 H1 MET A 1 15.224 0.944 2.317 1.00 0.00 H new ATOM 0 H2 MET A 1 15.218 2.581 2.768 1.00 0.00 H new ATOM 0 H3 MET A 1 14.290 1.457 3.639 1.00 0.00 H new ATOM 0 HA MET A 1 13.833 2.243 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.309 -0.166 2.041 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.890 0.733 2.541 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.696 0.954 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.021 -0.578 0.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.058 0.702 -1.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.653 -0.083 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.390 -0.758 -0.617 1.00 0.00 H new ATOM 20 N GLN A 2 11.816 3.643 1.462 1.00 0.00 N ATOM 21 CA GLN A 2 10.914 4.724 1.905 1.00 0.00 C ATOM 22 C GLN A 2 9.687 4.759 1.056 1.00 0.00 C ATOM 23 O GLN A 2 9.676 4.338 -0.082 1.00 0.00 O ATOM 24 CB GLN A 2 11.686 6.007 1.749 1.00 0.00 C ATOM 25 CG GLN A 2 10.771 7.197 2.051 1.00 0.00 C ATOM 26 CD GLN A 2 11.491 8.493 1.671 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.627 8.702 2.047 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.877 9.378 0.935 1.00 0.00 N ATOM 0 H GLN A 2 11.744 3.392 0.476 1.00 0.00 H new ATOM 0 HA GLN A 2 10.594 4.572 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.542 6.013 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.079 6.086 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.840 7.107 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.508 7.210 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.923 9.204 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.351 10.243 0.676 1.00 0.00 H new ATOM 37 N ILE A 3 8.628 5.206 1.619 1.00 0.00 N ATOM 38 CA ILE A 3 7.392 5.211 0.866 1.00 0.00 C ATOM 39 C ILE A 3 6.512 6.371 1.287 1.00 0.00 C ATOM 40 O ILE A 3 6.793 7.081 2.229 1.00 0.00 O ATOM 41 CB ILE A 3 6.743 3.878 1.237 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.856 4.060 2.482 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.841 2.832 1.525 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.880 2.798 3.361 1.00 0.00 C ATOM 0 H ILE A 3 8.571 5.568 2.571 1.00 0.00 H new ATOM 0 HA ILE A 3 7.548 5.325 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 3 6.126 3.533 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.203 4.917 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.832 4.276 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.378 1.882 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.459 2.700 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.463 3.175 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.246 2.951 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.509 1.948 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.902 2.599 3.685 1.00 0.00 H new ATOM 56 N LEU A 4 5.418 6.515 0.636 1.00 0.00 N ATOM 57 CA LEU A 4 4.470 7.561 1.033 1.00 0.00 C ATOM 58 C LEU A 4 3.135 6.897 1.261 1.00 0.00 C ATOM 59 O LEU A 4 2.467 6.484 0.339 1.00 0.00 O ATOM 60 CB LEU A 4 4.396 8.521 -0.148 1.00 0.00 C ATOM 61 CG LEU A 4 3.487 9.690 0.227 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.042 9.215 0.193 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.831 10.161 1.632 1.00 0.00 C ATOM 0 H LEU A 4 5.134 5.948 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 4 4.761 8.092 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.392 8.883 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.008 8.008 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 4 3.625 10.512 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.381 10.040 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.798 8.863 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.910 8.400 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.185 10.995 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.683 9.343 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.872 10.483 1.663 1.00 0.00 H new ATOM 75 N PHE A 5 2.740 6.793 2.480 1.00 0.00 N ATOM 76 CA PHE A 5 1.442 6.161 2.763 1.00 0.00 C ATOM 77 C PHE A 5 0.458 7.259 3.155 1.00 0.00 C ATOM 78 O PHE A 5 0.520 7.801 4.234 1.00 0.00 O ATOM 79 CB PHE A 5 1.721 5.190 3.917 1.00 0.00 C ATOM 80 CG PHE A 5 0.442 4.508 4.347 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.527 5.220 5.064 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.230 3.162 4.030 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.706 4.583 5.468 1.00 0.00 C ATOM 84 CE2 PHE A 5 -0.949 2.525 4.432 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.918 3.236 5.150 1.00 0.00 C ATOM 0 H PHE A 5 3.259 7.118 3.296 1.00 0.00 H new ATOM 0 HA PHE A 5 1.008 5.627 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.452 4.444 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.155 5.730 4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.365 6.260 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.977 2.614 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.452 5.130 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.112 1.485 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.829 2.745 5.459 1.00 0.00 H new ATOM 95 N ASN A 6 -0.426 7.624 2.271 1.00 0.00 N ATOM 96 CA ASN A 6 -1.382 8.718 2.590 1.00 0.00 C ATOM 97 C ASN A 6 -0.619 10.005 2.859 1.00 0.00 C ATOM 98 O ASN A 6 -0.720 10.621 3.901 1.00 0.00 O ATOM 99 CB ASN A 6 -2.163 8.251 3.819 1.00 0.00 C ATOM 100 CG ASN A 6 -3.452 9.062 3.950 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.268 9.084 3.050 1.00 0.00 O ATOM 102 ND2 ASN A 6 -3.671 9.734 5.045 1.00 0.00 N ATOM 0 H ASN A 6 -0.528 7.213 1.343 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.064 8.927 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.397 7.190 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.554 8.370 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.528 10.278 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.986 9.715 5.800 1.00 0.00 H new ATOM 109 N ASP A 7 0.140 10.395 1.894 1.00 0.00 N ATOM 110 CA ASP A 7 0.954 11.637 1.995 1.00 0.00 C ATOM 111 C ASP A 7 1.860 11.569 3.224 1.00 0.00 C ATOM 112 O ASP A 7 2.357 12.568 3.704 1.00 0.00 O ATOM 113 CB ASP A 7 -0.022 12.807 2.090 1.00 0.00 C ATOM 114 CG ASP A 7 -1.356 12.467 1.407 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.408 12.520 0.189 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.301 12.162 2.117 1.00 0.00 O ATOM 0 H ASP A 7 0.239 9.896 1.010 1.00 0.00 H new ATOM 0 HA ASP A 7 1.600 11.760 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.198 13.055 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.416 13.689 1.623 1.00 0.00 H new ATOM 121 N GLN A 8 2.103 10.386 3.711 1.00 0.00 N ATOM 122 CA GLN A 8 3.007 10.223 4.885 1.00 0.00 C ATOM 123 C GLN A 8 4.255 9.467 4.447 1.00 0.00 C ATOM 124 O GLN A 8 4.171 8.407 3.872 1.00 0.00 O ATOM 125 CB GLN A 8 2.179 9.424 5.898 1.00 0.00 C ATOM 126 CG GLN A 8 2.839 8.083 6.275 1.00 0.00 C ATOM 127 CD GLN A 8 2.419 7.687 7.695 1.00 0.00 C ATOM 128 OE1 GLN A 8 2.794 8.337 8.651 1.00 0.00 O ATOM 129 NE2 GLN A 8 1.660 6.636 7.880 1.00 0.00 N ATOM 0 H GLN A 8 1.712 9.518 3.345 1.00 0.00 H new ATOM 0 HA GLN A 8 3.347 11.165 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.038 10.022 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.189 9.234 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.543 7.308 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.924 8.170 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.343 6.088 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.385 6.365 8.824 1.00 0.00 H new ATOM 138 N ALA A 9 5.408 9.982 4.712 1.00 0.00 N ATOM 139 CA ALA A 9 6.623 9.249 4.286 1.00 0.00 C ATOM 140 C ALA A 9 6.930 8.111 5.261 1.00 0.00 C ATOM 141 O ALA A 9 6.661 8.194 6.443 1.00 0.00 O ATOM 142 CB ALA A 9 7.738 10.285 4.274 1.00 0.00 C ATOM 0 H ALA A 9 5.567 10.865 5.197 1.00 0.00 H new ATOM 0 HA ALA A 9 6.502 8.788 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.671 9.812 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.487 11.081 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.856 10.704 5.273 1.00 0.00 H new ATOM 148 N MET A 10 7.464 7.036 4.753 1.00 0.00 N ATOM 149 CA MET A 10 7.771 5.844 5.618 1.00 0.00 C ATOM 150 C MET A 10 9.083 5.180 5.225 1.00 0.00 C ATOM 151 O MET A 10 9.751 5.593 4.306 1.00 0.00 O ATOM 152 CB MET A 10 6.697 4.833 5.278 1.00 0.00 C ATOM 153 CG MET A 10 6.361 3.960 6.482 1.00 0.00 C ATOM 154 SD MET A 10 4.979 4.680 7.395 1.00 0.00 S ATOM 155 CE MET A 10 3.680 4.172 6.247 1.00 0.00 C ATOM 0 H MET A 10 7.706 6.923 3.768 1.00 0.00 H new ATOM 0 HA MET A 10 7.822 6.152 6.662 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.800 5.351 4.940 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.033 4.205 4.453 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.105 2.953 6.152 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.231 3.871 7.132 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.738 4.068 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.570 4.924 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.947 3.216 5.796 1.00 0.00 H new ATOM 165 N GLN A 11 9.387 4.088 5.880 1.00 0.00 N ATOM 166 CA GLN A 11 10.575 3.277 5.522 1.00 0.00 C ATOM 167 C GLN A 11 10.210 1.813 5.732 1.00 0.00 C ATOM 168 O GLN A 11 9.837 1.396 6.811 1.00 0.00 O ATOM 169 CB GLN A 11 11.735 3.632 6.438 1.00 0.00 C ATOM 170 CG GLN A 11 11.452 4.905 7.241 1.00 0.00 C ATOM 171 CD GLN A 11 12.673 5.238 8.105 1.00 0.00 C ATOM 172 OE1 GLN A 11 13.669 5.720 7.607 1.00 0.00 O ATOM 173 NE2 GLN A 11 12.643 4.992 9.387 1.00 0.00 N ATOM 0 H GLN A 11 8.846 3.723 6.664 1.00 0.00 H new ATOM 0 HA GLN A 11 10.867 3.467 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.925 2.805 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.639 3.769 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.232 5.733 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.573 4.764 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.807 4.587 9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.455 5.205 9.966 1.00 0.00 H new ATOM 182 N CYS A 12 10.293 1.051 4.702 1.00 0.00 N ATOM 183 CA CYS A 12 9.927 -0.402 4.799 1.00 0.00 C ATOM 184 C CYS A 12 10.889 -1.295 4.006 1.00 0.00 C ATOM 185 O CYS A 12 12.036 -0.963 3.786 1.00 0.00 O ATOM 186 CB CYS A 12 8.521 -0.490 4.221 1.00 0.00 C ATOM 187 SG CYS A 12 8.597 -0.172 2.450 1.00 0.00 S ATOM 0 H CYS A 12 10.600 1.357 3.779 1.00 0.00 H new ATOM 0 HA CYS A 12 9.983 -0.753 5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.097 -1.477 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.868 0.235 4.706 1.00 0.00 H new ATOM 0 HG CYS A 12 8.280 -1.253 1.801 1.00 0.00 H new ATOM 193 N ALA A 13 10.422 -2.455 3.621 1.00 0.00 N ATOM 194 CA ALA A 13 11.287 -3.427 2.889 1.00 0.00 C ATOM 195 C ALA A 13 11.227 -3.262 1.371 1.00 0.00 C ATOM 196 O ALA A 13 10.317 -3.723 0.729 1.00 0.00 O ATOM 197 CB ALA A 13 10.731 -4.801 3.270 1.00 0.00 C ATOM 0 H ALA A 13 9.467 -2.773 3.785 1.00 0.00 H new ATOM 0 HA ALA A 13 12.333 -3.279 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.311 -5.579 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.796 -4.933 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.689 -4.871 2.958 1.00 0.00 H new ATOM 203 N ALA A 14 12.200 -2.646 0.777 1.00 0.00 N ATOM 204 CA ALA A 14 12.159 -2.519 -0.706 1.00 0.00 C ATOM 205 C ALA A 14 11.995 -3.884 -1.353 1.00 0.00 C ATOM 206 O ALA A 14 12.642 -4.846 -0.991 1.00 0.00 O ATOM 207 CB ALA A 14 13.490 -1.917 -1.114 1.00 0.00 C ATOM 0 H ALA A 14 13.009 -2.230 1.238 1.00 0.00 H new ATOM 0 HA ALA A 14 11.319 -1.901 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.519 -1.799 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.609 -0.943 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.299 -2.576 -0.799 1.00 0.00 H new ATOM 213 N GLY A 15 11.141 -3.962 -2.319 1.00 0.00 N ATOM 214 CA GLY A 15 10.921 -5.242 -3.020 1.00 0.00 C ATOM 215 C GLY A 15 9.765 -5.996 -2.370 1.00 0.00 C ATOM 216 O GLY A 15 9.318 -7.009 -2.869 1.00 0.00 O ATOM 0 H GLY A 15 10.578 -3.182 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.701 -5.058 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.827 -5.847 -2.985 1.00 0.00 H new ATOM 220 N GLN A 16 9.268 -5.519 -1.262 1.00 0.00 N ATOM 221 CA GLN A 16 8.151 -6.223 -0.606 1.00 0.00 C ATOM 222 C GLN A 16 6.817 -5.672 -1.136 1.00 0.00 C ATOM 223 O GLN A 16 6.579 -4.483 -1.093 1.00 0.00 O ATOM 224 CB GLN A 16 8.389 -5.927 0.881 1.00 0.00 C ATOM 225 CG GLN A 16 7.358 -4.947 1.451 1.00 0.00 C ATOM 226 CD GLN A 16 7.850 -3.515 1.293 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.982 -2.797 2.261 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.126 -3.067 0.104 1.00 0.00 N ATOM 0 H GLN A 16 9.591 -4.674 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 16 8.104 -7.296 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.352 -6.859 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.390 -5.515 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.405 -5.071 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.182 -5.165 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.014 -3.674 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.455 -2.109 -0.016 1.00 0.00 H new ATOM 237 N THR A 17 5.950 -6.508 -1.650 1.00 0.00 N ATOM 238 CA THR A 17 4.662 -5.980 -2.175 1.00 0.00 C ATOM 239 C THR A 17 3.955 -5.101 -1.163 1.00 0.00 C ATOM 240 O THR A 17 4.487 -4.695 -0.153 1.00 0.00 O ATOM 241 CB THR A 17 3.731 -7.165 -2.424 1.00 0.00 C ATOM 242 OG1 THR A 17 3.170 -7.582 -1.188 1.00 0.00 O ATOM 243 CG2 THR A 17 4.456 -8.333 -3.055 1.00 0.00 C ATOM 0 H THR A 17 6.078 -7.517 -1.727 1.00 0.00 H new ATOM 0 HA THR A 17 4.882 -5.403 -3.073 1.00 0.00 H new ATOM 0 HB THR A 17 2.953 -6.840 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.193 -7.526 -1.237 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.756 -9.153 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.878 -8.025 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.258 -8.664 -2.394 1.00 0.00 H new ATOM 251 N VAL A 18 2.718 -4.865 -1.453 1.00 0.00 N ATOM 252 CA VAL A 18 1.829 -4.069 -0.578 1.00 0.00 C ATOM 253 C VAL A 18 1.402 -4.941 0.559 1.00 0.00 C ATOM 254 O VAL A 18 1.626 -4.651 1.715 1.00 0.00 O ATOM 255 CB VAL A 18 0.647 -3.848 -1.445 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.379 -3.013 -0.713 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.101 -3.187 -2.732 1.00 0.00 C ATOM 0 H VAL A 18 2.265 -5.207 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 18 2.281 -3.157 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 18 0.174 -4.798 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.245 -2.854 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.690 -3.532 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.057 -2.050 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.240 -3.019 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.574 -2.232 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.816 -3.834 -3.241 1.00 0.00 H new ATOM 267 N HIS A 19 0.852 -6.081 0.218 1.00 0.00 N ATOM 268 CA HIS A 19 0.488 -7.043 1.263 1.00 0.00 C ATOM 269 C HIS A 19 1.730 -7.169 2.120 1.00 0.00 C ATOM 270 O HIS A 19 1.691 -7.397 3.318 1.00 0.00 O ATOM 271 CB HIS A 19 0.247 -8.336 0.488 1.00 0.00 C ATOM 272 CG HIS A 19 -0.288 -9.396 1.411 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.365 -10.199 1.070 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.098 -9.801 2.666 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.588 -11.038 2.100 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.724 -10.838 3.098 1.00 0.00 N ATOM 0 H HIS A 19 0.647 -6.371 -0.738 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.372 -6.784 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.459 -8.158 -0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.177 -8.675 0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.915 -9.379 3.232 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.371 -11.782 2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.676 -11.338 3.986 1.00 0.00 H new ATOM 284 N GLU A 20 2.846 -6.951 1.472 1.00 0.00 N ATOM 285 CA GLU A 20 4.148 -7.001 2.184 1.00 0.00 C ATOM 286 C GLU A 20 4.416 -5.657 2.852 1.00 0.00 C ATOM 287 O GLU A 20 4.912 -5.594 3.961 1.00 0.00 O ATOM 288 CB GLU A 20 5.184 -7.302 1.108 1.00 0.00 C ATOM 289 CG GLU A 20 5.172 -8.803 0.805 1.00 0.00 C ATOM 290 CD GLU A 20 6.583 -9.370 0.971 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.334 -8.815 1.755 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.887 -10.350 0.312 1.00 0.00 O ATOM 0 H GLU A 20 2.906 -6.740 0.476 1.00 0.00 H new ATOM 0 HA GLU A 20 4.170 -7.756 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.963 -6.734 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.174 -6.994 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.482 -9.314 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.816 -8.977 -0.211 1.00 0.00 H new ATOM 299 N LEU A 21 4.079 -4.574 2.200 1.00 0.00 N ATOM 300 CA LEU A 21 4.311 -3.253 2.839 1.00 0.00 C ATOM 301 C LEU A 21 3.321 -3.093 3.985 1.00 0.00 C ATOM 302 O LEU A 21 3.697 -2.913 5.121 1.00 0.00 O ATOM 303 CB LEU A 21 4.056 -2.207 1.756 1.00 0.00 C ATOM 304 CG LEU A 21 4.305 -0.821 2.348 1.00 0.00 C ATOM 305 CD1 LEU A 21 5.684 -0.319 1.925 1.00 0.00 C ATOM 306 CD2 LEU A 21 3.240 0.147 1.845 1.00 0.00 C ATOM 0 H LEU A 21 3.661 -4.550 1.270 1.00 0.00 H new ATOM 0 HA LEU A 21 5.319 -3.150 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.713 -2.378 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.032 -2.284 1.390 1.00 0.00 H new ATOM 0 HG LEU A 21 4.260 -0.883 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.857 0.670 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.448 -1.008 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.732 -0.261 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.418 1.136 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.285 0.204 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.255 -0.206 2.150 1.00 0.00 H new ATOM 318 N LEU A 22 2.055 -3.188 3.690 1.00 0.00 N ATOM 319 CA LEU A 22 1.020 -3.068 4.750 1.00 0.00 C ATOM 320 C LEU A 22 1.443 -3.866 5.966 1.00 0.00 C ATOM 321 O LEU A 22 1.504 -3.372 7.072 1.00 0.00 O ATOM 322 CB LEU A 22 -0.215 -3.703 4.128 1.00 0.00 C ATOM 323 CG LEU A 22 -0.854 -2.699 3.193 1.00 0.00 C ATOM 324 CD1 LEU A 22 -1.877 -3.397 2.301 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.534 -1.638 4.040 1.00 0.00 C ATOM 0 H LEU A 22 1.691 -3.345 2.750 1.00 0.00 H new ATOM 0 HA LEU A 22 0.855 -2.039 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.058 -4.607 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.920 -3.999 4.905 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.100 -2.242 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.333 -2.668 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.381 -4.169 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.649 -3.853 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.004 -0.900 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.293 -2.105 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.794 -1.147 4.671 1.00 0.00 H new ATOM 337 N GLU A 23 1.747 -5.102 5.756 1.00 0.00 N ATOM 338 CA GLU A 23 2.186 -5.953 6.894 1.00 0.00 C ATOM 339 C GLU A 23 3.312 -5.243 7.648 1.00 0.00 C ATOM 340 O GLU A 23 3.271 -5.098 8.855 1.00 0.00 O ATOM 341 CB GLU A 23 2.721 -7.209 6.223 1.00 0.00 C ATOM 342 CG GLU A 23 2.934 -8.312 7.257 1.00 0.00 C ATOM 343 CD GLU A 23 2.545 -9.660 6.648 1.00 0.00 C ATOM 344 OE1 GLU A 23 2.727 -9.823 5.453 1.00 0.00 O ATOM 345 OE2 GLU A 23 2.072 -10.507 7.388 1.00 0.00 O ATOM 0 H GLU A 23 1.713 -5.567 4.849 1.00 0.00 H new ATOM 0 HA GLU A 23 1.391 -6.164 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.021 -7.548 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.661 -6.988 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.976 -8.331 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.333 -8.115 8.145 1.00 0.00 H new ATOM 352 N GLN A 24 4.309 -4.785 6.942 1.00 0.00 N ATOM 353 CA GLN A 24 5.427 -4.072 7.616 1.00 0.00 C ATOM 354 C GLN A 24 4.893 -2.796 8.267 1.00 0.00 C ATOM 355 O GLN A 24 5.253 -2.452 9.376 1.00 0.00 O ATOM 356 CB GLN A 24 6.414 -3.737 6.499 1.00 0.00 C ATOM 357 CG GLN A 24 7.695 -3.161 7.105 1.00 0.00 C ATOM 358 CD GLN A 24 8.230 -4.120 8.172 1.00 0.00 C ATOM 359 OE1 GLN A 24 8.717 -3.693 9.199 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.164 -5.407 7.968 1.00 0.00 N ATOM 0 H GLN A 24 4.397 -4.874 5.930 1.00 0.00 H new ATOM 0 HA GLN A 24 5.897 -4.666 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.643 -4.632 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.970 -3.018 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.443 -3.012 6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.495 -2.184 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.755 -5.766 7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.521 -6.054 8.671 1.00 0.00 H new ATOM 369 N LEU A 25 4.012 -2.107 7.590 1.00 0.00 N ATOM 370 CA LEU A 25 3.425 -0.874 8.161 1.00 0.00 C ATOM 371 C LEU A 25 2.549 -1.268 9.346 1.00 0.00 C ATOM 372 O LEU A 25 2.277 -0.475 10.221 1.00 0.00 O ATOM 373 CB LEU A 25 2.566 -0.295 7.036 1.00 0.00 C ATOM 374 CG LEU A 25 3.419 0.051 5.808 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.670 1.065 4.944 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.759 0.652 6.233 1.00 0.00 C ATOM 0 H LEU A 25 3.676 -2.353 6.659 1.00 0.00 H new ATOM 0 HA LEU A 25 4.169 -0.157 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.796 -1.014 6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.054 0.600 7.390 1.00 0.00 H new ATOM 0 HG LEU A 25 3.605 -0.863 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.272 1.314 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.721 0.637 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.482 1.968 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.348 0.890 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.584 1.562 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.302 -0.067 6.847 1.00 0.00 H new ATOM 388 N ASP A 26 2.104 -2.506 9.339 1.00 0.00 N ATOM 389 CA ASP A 26 1.225 -3.064 10.414 1.00 0.00 C ATOM 390 C ASP A 26 -0.224 -2.719 10.116 1.00 0.00 C ATOM 391 O ASP A 26 -1.008 -2.449 11.004 1.00 0.00 O ATOM 392 CB ASP A 26 1.670 -2.429 11.728 1.00 0.00 C ATOM 393 CG ASP A 26 0.969 -3.125 12.898 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.707 -4.312 12.789 1.00 0.00 O ATOM 395 OD2 ASP A 26 0.701 -2.456 13.883 1.00 0.00 O ATOM 0 H ASP A 26 2.325 -3.175 8.601 1.00 0.00 H new ATOM 0 HA ASP A 26 1.305 -4.150 10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.751 -2.513 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.432 -1.365 11.729 1.00 0.00 H new ATOM 400 N GLN A 27 -0.580 -2.730 8.866 1.00 0.00 N ATOM 401 CA GLN A 27 -1.979 -2.407 8.488 1.00 0.00 C ATOM 402 C GLN A 27 -2.570 -3.583 7.711 1.00 0.00 C ATOM 403 O GLN A 27 -2.243 -3.809 6.563 1.00 0.00 O ATOM 404 CB GLN A 27 -1.865 -1.160 7.607 1.00 0.00 C ATOM 405 CG GLN A 27 -0.795 -0.219 8.184 1.00 0.00 C ATOM 406 CD GLN A 27 -1.381 1.182 8.378 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.963 1.908 9.257 1.00 0.00 O ATOM 408 NE2 GLN A 27 -2.330 1.601 7.587 1.00 0.00 N ATOM 0 H GLN A 27 0.040 -2.950 8.087 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.630 -2.229 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.603 -1.445 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.826 -0.648 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.434 -0.606 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.062 -0.174 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.683 0.993 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.719 2.536 7.708 1.00 0.00 H new ATOM 417 N ARG A 28 -3.428 -4.344 8.334 1.00 0.00 N ATOM 418 CA ARG A 28 -4.025 -5.517 7.634 1.00 0.00 C ATOM 419 C ARG A 28 -5.113 -5.073 6.658 1.00 0.00 C ATOM 420 O ARG A 28 -5.764 -5.887 6.045 1.00 0.00 O ATOM 421 CB ARG A 28 -4.595 -6.395 8.746 1.00 0.00 C ATOM 422 CG ARG A 28 -3.440 -7.141 9.419 1.00 0.00 C ATOM 423 CD ARG A 28 -3.328 -8.546 8.821 1.00 0.00 C ATOM 424 NE ARG A 28 -4.112 -9.416 9.739 1.00 0.00 N ATOM 425 CZ ARG A 28 -3.914 -10.704 9.744 1.00 0.00 C ATOM 426 NH1 ARG A 28 -3.791 -11.347 8.616 1.00 0.00 N ATOM 427 NH2 ARG A 28 -3.840 -11.349 10.878 1.00 0.00 N ATOM 0 H ARG A 28 -3.741 -4.205 9.295 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.291 -6.056 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.127 -5.784 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.316 -7.103 8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.507 -6.596 9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.609 -7.203 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.729 -8.577 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.289 -8.869 8.762 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.805 -9.004 10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.850 -10.842 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.636 -12.355 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.937 -10.844 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.685 -12.357 10.882 1.00 0.00 H new ATOM 441 N GLN A 29 -5.307 -3.786 6.527 1.00 0.00 N ATOM 442 CA GLN A 29 -6.334 -3.241 5.600 1.00 0.00 C ATOM 443 C GLN A 29 -7.601 -4.044 5.734 1.00 0.00 C ATOM 444 O GLN A 29 -8.247 -4.383 4.760 1.00 0.00 O ATOM 445 CB GLN A 29 -5.747 -3.365 4.196 1.00 0.00 C ATOM 446 CG GLN A 29 -5.771 -4.819 3.742 1.00 0.00 C ATOM 447 CD GLN A 29 -6.159 -4.901 2.266 1.00 0.00 C ATOM 448 OE1 GLN A 29 -5.430 -5.444 1.463 1.00 0.00 O ATOM 449 NE2 GLN A 29 -7.289 -4.380 1.874 1.00 0.00 N ATOM 0 H GLN A 29 -4.782 -3.076 7.038 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.582 -2.202 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.317 -2.750 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.723 -2.991 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.791 -5.272 3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.481 -5.385 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.902 -3.923 2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.560 -4.429 0.892 1.00 0.00 H new ATOM 458 N ALA A 30 -7.942 -4.344 6.948 1.00 0.00 N ATOM 459 CA ALA A 30 -9.165 -5.123 7.237 1.00 0.00 C ATOM 460 C ALA A 30 -10.239 -4.829 6.178 1.00 0.00 C ATOM 461 O ALA A 30 -10.987 -5.695 5.767 1.00 0.00 O ATOM 462 CB ALA A 30 -9.561 -4.604 8.612 1.00 0.00 C ATOM 0 H ALA A 30 -7.408 -4.074 7.774 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.030 -6.204 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.467 -5.110 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.756 -4.799 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.744 -3.531 8.557 1.00 0.00 H new ATOM 468 N GLY A 31 -10.276 -3.611 5.713 1.00 0.00 N ATOM 469 CA GLY A 31 -11.244 -3.213 4.652 1.00 0.00 C ATOM 470 C GLY A 31 -10.698 -1.952 3.986 1.00 0.00 C ATOM 471 O GLY A 31 -11.090 -0.860 4.323 1.00 0.00 O ATOM 0 H GLY A 31 -9.663 -2.860 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.362 -4.013 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.228 -3.025 5.081 1.00 0.00 H new ATOM 475 N ALA A 32 -9.764 -2.081 3.073 1.00 0.00 N ATOM 476 CA ALA A 32 -9.186 -0.849 2.447 1.00 0.00 C ATOM 477 C ALA A 32 -8.800 -1.028 0.976 1.00 0.00 C ATOM 478 O ALA A 32 -8.778 -2.114 0.431 1.00 0.00 O ATOM 479 CB ALA A 32 -7.902 -0.570 3.226 1.00 0.00 C ATOM 0 H ALA A 32 -9.383 -2.967 2.740 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.930 -0.053 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.419 0.321 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.142 -0.411 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.228 -1.421 3.133 1.00 0.00 H new ATOM 485 N ALA A 33 -8.434 0.070 0.372 1.00 0.00 N ATOM 486 CA ALA A 33 -7.956 0.087 -1.039 1.00 0.00 C ATOM 487 C ALA A 33 -6.942 1.234 -1.139 1.00 0.00 C ATOM 488 O ALA A 33 -6.962 2.140 -0.328 1.00 0.00 O ATOM 489 CB ALA A 33 -9.192 0.330 -1.902 1.00 0.00 C ATOM 0 H ALA A 33 -8.448 0.988 0.816 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.473 -0.834 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.903 0.353 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.912 -0.473 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.645 1.283 -1.629 1.00 0.00 H new ATOM 495 N LEU A 34 -6.022 1.201 -2.064 1.00 0.00 N ATOM 496 CA LEU A 34 -5.009 2.296 -2.092 1.00 0.00 C ATOM 497 C LEU A 34 -4.528 2.603 -3.511 1.00 0.00 C ATOM 498 O LEU A 34 -4.655 1.797 -4.412 1.00 0.00 O ATOM 499 CB LEU A 34 -3.859 1.771 -1.196 1.00 0.00 C ATOM 500 CG LEU A 34 -2.526 1.663 -1.966 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.417 1.221 -1.008 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.642 0.630 -3.091 1.00 0.00 C ATOM 0 H LEU A 34 -5.927 0.485 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.418 3.241 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.731 2.438 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.128 0.792 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.291 2.638 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.475 1.145 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.315 1.953 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.670 0.250 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.694 0.565 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.887 -0.344 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.428 0.932 -3.783 1.00 0.00 H new ATOM 514 N ALA A 35 -3.944 3.759 -3.707 1.00 0.00 N ATOM 515 CA ALA A 35 -3.426 4.093 -5.059 1.00 0.00 C ATOM 516 C ALA A 35 -1.935 4.399 -4.965 1.00 0.00 C ATOM 517 O ALA A 35 -1.521 5.356 -4.348 1.00 0.00 O ATOM 518 CB ALA A 35 -4.213 5.320 -5.520 1.00 0.00 C ATOM 0 H ALA A 35 -3.807 4.476 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.547 3.272 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.876 5.616 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.276 5.079 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.049 6.141 -4.822 1.00 0.00 H new ATOM 524 N ILE A 36 -1.126 3.583 -5.567 1.00 0.00 N ATOM 525 CA ILE A 36 0.347 3.821 -5.498 1.00 0.00 C ATOM 526 C ILE A 36 0.833 4.545 -6.752 1.00 0.00 C ATOM 527 O ILE A 36 0.417 4.257 -7.853 1.00 0.00 O ATOM 528 CB ILE A 36 0.983 2.439 -5.376 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.490 1.760 -4.101 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.504 2.577 -5.301 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.194 0.412 -3.949 1.00 0.00 C ATOM 0 H ILE A 36 -1.412 2.764 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 36 0.617 4.455 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 36 0.707 1.843 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.694 2.391 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.590 1.618 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.955 1.589 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.870 3.065 -6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.773 3.176 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.847 -0.079 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.967 -0.216 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.271 0.569 -3.888 1.00 0.00 H new ATOM 543 N ASN A 37 1.698 5.505 -6.592 1.00 0.00 N ATOM 544 CA ASN A 37 2.184 6.262 -7.777 1.00 0.00 C ATOM 545 C ASN A 37 0.978 6.871 -8.497 1.00 0.00 C ATOM 546 O ASN A 37 1.007 7.128 -9.680 1.00 0.00 O ATOM 547 CB ASN A 37 2.897 5.232 -8.660 1.00 0.00 C ATOM 548 CG ASN A 37 4.292 4.952 -8.095 1.00 0.00 C ATOM 549 OD1 ASN A 37 5.025 5.868 -7.771 1.00 0.00 O ATOM 550 ND2 ASN A 37 4.692 3.716 -7.962 1.00 0.00 N ATOM 0 H ASN A 37 2.088 5.798 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 37 2.860 7.077 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.318 4.309 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.975 5.605 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.619 3.518 -7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.077 2.949 -8.234 1.00 0.00 H new ATOM 557 N GLN A 38 -0.077 7.101 -7.756 1.00 0.00 N ATOM 558 CA GLN A 38 -1.329 7.700 -8.316 1.00 0.00 C ATOM 559 C GLN A 38 -2.127 6.655 -9.091 1.00 0.00 C ATOM 560 O GLN A 38 -3.088 6.972 -9.765 1.00 0.00 O ATOM 561 CB GLN A 38 -0.892 8.885 -9.200 1.00 0.00 C ATOM 562 CG GLN A 38 -0.840 8.497 -10.684 1.00 0.00 C ATOM 563 CD GLN A 38 -2.117 8.982 -11.371 1.00 0.00 C ATOM 564 OE1 GLN A 38 -3.109 9.245 -10.720 1.00 0.00 O ATOM 565 NE2 GLN A 38 -2.132 9.121 -12.666 1.00 0.00 N ATOM 0 H GLN A 38 -0.124 6.893 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.995 8.052 -7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.586 9.715 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.090 9.235 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.035 8.941 -11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.744 7.416 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.299 8.900 -13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.976 9.451 -13.134 1.00 0.00 H new ATOM 574 N GLN A 39 -1.771 5.408 -8.970 1.00 0.00 N ATOM 575 CA GLN A 39 -2.556 4.361 -9.669 1.00 0.00 C ATOM 576 C GLN A 39 -3.395 3.618 -8.632 1.00 0.00 C ATOM 577 O GLN A 39 -2.882 2.926 -7.777 1.00 0.00 O ATOM 578 CB GLN A 39 -1.542 3.420 -10.346 1.00 0.00 C ATOM 579 CG GLN A 39 -0.974 2.404 -9.350 1.00 0.00 C ATOM 580 CD GLN A 39 0.420 1.974 -9.811 1.00 0.00 C ATOM 581 OE1 GLN A 39 0.728 2.028 -10.984 1.00 0.00 O ATOM 582 NE2 GLN A 39 1.282 1.546 -8.932 1.00 0.00 N ATOM 0 H GLN A 39 -0.978 5.073 -8.423 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.230 4.775 -10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.025 2.894 -11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.729 4.006 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.921 2.843 -8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.631 1.537 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.025 1.500 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.214 1.257 -9.230 1.00 0.00 H new ATOM 591 N ILE A 40 -4.683 3.763 -8.676 1.00 0.00 N ATOM 592 CA ILE A 40 -5.505 3.058 -7.662 1.00 0.00 C ATOM 593 C ILE A 40 -5.520 1.570 -7.987 1.00 0.00 C ATOM 594 O ILE A 40 -6.244 1.111 -8.850 1.00 0.00 O ATOM 595 CB ILE A 40 -6.918 3.638 -7.775 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.972 5.021 -7.121 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.901 2.703 -7.061 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.377 6.067 -8.068 1.00 0.00 C ATOM 0 H ILE A 40 -5.196 4.326 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.112 3.186 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.186 3.731 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.003 5.280 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.419 5.011 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.910 3.109 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.870 1.718 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.623 2.616 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.418 7.049 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.340 5.812 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.949 6.085 -8.996 1.00 0.00 H new ATOM 610 N VAL A 41 -4.714 0.815 -7.299 1.00 0.00 N ATOM 611 CA VAL A 41 -4.666 -0.645 -7.558 1.00 0.00 C ATOM 612 C VAL A 41 -5.678 -1.351 -6.709 1.00 0.00 C ATOM 613 O VAL A 41 -5.957 -0.939 -5.601 1.00 0.00 O ATOM 614 CB VAL A 41 -3.297 -1.110 -7.108 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.203 -2.627 -7.292 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.228 -0.416 -7.944 1.00 0.00 C ATOM 0 H VAL A 41 -4.086 1.148 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.864 -0.853 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.143 -0.862 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.220 -2.972 -6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.973 -3.114 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.349 -2.876 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.241 -0.749 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.370 -0.665 -8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.307 0.663 -7.813 1.00 0.00 H new ATOM 626 N PRO A 42 -6.169 -2.420 -7.223 1.00 0.00 N ATOM 627 CA PRO A 42 -7.115 -3.195 -6.451 1.00 0.00 C ATOM 628 C PRO A 42 -6.391 -4.040 -5.416 1.00 0.00 C ATOM 629 O PRO A 42 -5.513 -4.826 -5.708 1.00 0.00 O ATOM 630 CB PRO A 42 -7.818 -4.039 -7.469 1.00 0.00 C ATOM 631 CG PRO A 42 -6.891 -4.143 -8.640 1.00 0.00 C ATOM 632 CD PRO A 42 -5.909 -3.003 -8.546 1.00 0.00 C ATOM 0 HA PRO A 42 -7.814 -2.577 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.047 -5.025 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.765 -3.587 -7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.369 -5.100 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.448 -4.092 -9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.881 -3.354 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.066 -2.274 -9.341 1.00 0.00 H new ATOM 640 N ARG A 43 -6.786 -3.841 -4.213 1.00 0.00 N ATOM 641 CA ARG A 43 -6.204 -4.564 -3.036 1.00 0.00 C ATOM 642 C ARG A 43 -5.568 -5.899 -3.414 1.00 0.00 C ATOM 643 O ARG A 43 -4.428 -6.178 -3.093 1.00 0.00 O ATOM 644 CB ARG A 43 -7.397 -4.831 -2.118 1.00 0.00 C ATOM 645 CG ARG A 43 -8.597 -5.363 -2.914 1.00 0.00 C ATOM 646 CD ARG A 43 -9.898 -4.950 -2.222 1.00 0.00 C ATOM 647 NE ARG A 43 -9.909 -5.714 -0.943 1.00 0.00 N ATOM 648 CZ ARG A 43 -10.412 -6.918 -0.907 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.675 -7.105 -1.180 1.00 0.00 N ATOM 650 NH2 ARG A 43 -9.655 -7.935 -0.598 1.00 0.00 N ATOM 0 H ARG A 43 -7.522 -3.179 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.413 -3.968 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.116 -5.553 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.677 -3.912 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.574 -4.971 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.543 -6.449 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.926 -3.875 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.766 -5.192 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.524 -5.296 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.268 -6.311 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.069 -8.045 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.668 -7.790 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.050 -8.875 -0.570 1.00 0.00 H new ATOM 664 N GLU A 44 -6.311 -6.728 -4.069 1.00 0.00 N ATOM 665 CA GLU A 44 -5.806 -8.059 -4.461 1.00 0.00 C ATOM 666 C GLU A 44 -4.359 -7.982 -4.961 1.00 0.00 C ATOM 667 O GLU A 44 -3.520 -8.770 -4.574 1.00 0.00 O ATOM 668 CB GLU A 44 -6.781 -8.460 -5.556 1.00 0.00 C ATOM 669 CG GLU A 44 -6.193 -9.583 -6.411 1.00 0.00 C ATOM 670 CD GLU A 44 -5.642 -10.687 -5.506 1.00 0.00 C ATOM 671 OE1 GLU A 44 -6.251 -10.946 -4.481 1.00 0.00 O ATOM 672 OE2 GLU A 44 -4.619 -11.253 -5.853 1.00 0.00 O ATOM 0 H GLU A 44 -7.270 -6.535 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.765 -8.779 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.721 -8.787 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.007 -7.598 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.959 -9.989 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.399 -9.191 -7.047 1.00 0.00 H new ATOM 679 N GLN A 45 -4.054 -7.046 -5.808 1.00 0.00 N ATOM 680 CA GLN A 45 -2.652 -6.939 -6.312 1.00 0.00 C ATOM 681 C GLN A 45 -1.670 -6.703 -5.162 1.00 0.00 C ATOM 682 O GLN A 45 -0.537 -7.140 -5.212 1.00 0.00 O ATOM 683 CB GLN A 45 -2.649 -5.748 -7.273 1.00 0.00 C ATOM 684 CG GLN A 45 -3.305 -6.146 -8.598 1.00 0.00 C ATOM 685 CD GLN A 45 -2.436 -7.191 -9.297 1.00 0.00 C ATOM 686 OE1 GLN A 45 -1.328 -7.455 -8.873 1.00 0.00 O ATOM 687 NE2 GLN A 45 -2.889 -7.798 -10.358 1.00 0.00 N ATOM 0 H GLN A 45 -4.706 -6.352 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.337 -7.859 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.186 -4.910 -6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.626 -5.414 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.302 -6.547 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.425 -5.270 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.819 -7.577 -10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.314 -8.494 -10.832 1.00 0.00 H new ATOM 696 N TRP A 46 -2.081 -6.015 -4.133 1.00 0.00 N ATOM 697 CA TRP A 46 -1.168 -5.755 -2.998 1.00 0.00 C ATOM 698 C TRP A 46 -0.320 -6.983 -2.685 1.00 0.00 C ATOM 699 O TRP A 46 0.793 -6.883 -2.208 1.00 0.00 O ATOM 700 CB TRP A 46 -2.094 -5.488 -1.818 1.00 0.00 C ATOM 701 CG TRP A 46 -2.838 -4.199 -1.986 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.936 -3.471 -3.123 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.601 -3.485 -0.981 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.716 -2.351 -2.868 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.148 -2.319 -1.557 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.864 -3.740 0.365 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.934 -1.439 -0.808 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.649 -2.857 1.116 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.183 -1.708 0.529 1.00 0.00 C ATOM 0 H TRP A 46 -3.017 -5.622 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.486 -4.933 -3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.804 -6.309 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.512 -5.456 -0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.483 -3.720 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.942 -1.640 -3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.459 -4.626 0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.346 -0.553 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.843 -3.066 2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.788 -1.031 1.114 1.00 0.00 H new ATOM 720 N ALA A 47 -0.856 -8.138 -2.924 1.00 0.00 N ATOM 721 CA ALA A 47 -0.117 -9.389 -2.621 1.00 0.00 C ATOM 722 C ALA A 47 0.904 -9.710 -3.711 1.00 0.00 C ATOM 723 O ALA A 47 1.872 -10.407 -3.481 1.00 0.00 O ATOM 724 CB ALA A 47 -1.211 -10.434 -2.598 1.00 0.00 C ATOM 0 H ALA A 47 -1.786 -8.273 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 47 0.451 -9.329 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.777 -11.410 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.940 -10.181 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.705 -10.465 -3.569 1.00 0.00 H new ATOM 730 N GLN A 48 0.705 -9.198 -4.887 1.00 0.00 N ATOM 731 CA GLN A 48 1.669 -9.459 -5.989 1.00 0.00 C ATOM 732 C GLN A 48 2.183 -8.124 -6.502 1.00 0.00 C ATOM 733 O GLN A 48 2.777 -8.028 -7.558 1.00 0.00 O ATOM 734 CB GLN A 48 0.862 -10.182 -7.066 1.00 0.00 C ATOM 735 CG GLN A 48 0.512 -11.591 -6.581 1.00 0.00 C ATOM 736 CD GLN A 48 -0.015 -12.423 -7.753 1.00 0.00 C ATOM 737 OE1 GLN A 48 -0.494 -11.882 -8.730 1.00 0.00 O ATOM 738 NE2 GLN A 48 0.052 -13.725 -7.697 1.00 0.00 N ATOM 0 H GLN A 48 -0.088 -8.606 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 48 2.528 -10.054 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.049 -9.626 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.436 -10.236 -7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.393 -12.068 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.239 -11.539 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.454 -14.180 -6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.297 -14.287 -8.473 1.00 0.00 H new ATOM 747 N HIS A 49 1.932 -7.088 -5.753 1.00 0.00 N ATOM 748 CA HIS A 49 2.364 -5.733 -6.160 1.00 0.00 C ATOM 749 C HIS A 49 3.645 -5.344 -5.432 1.00 0.00 C ATOM 750 O HIS A 49 3.617 -4.602 -4.469 1.00 0.00 O ATOM 751 CB HIS A 49 1.208 -4.842 -5.723 1.00 0.00 C ATOM 752 CG HIS A 49 1.452 -3.439 -6.195 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.415 -2.553 -6.430 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.605 -2.753 -6.485 1.00 0.00 C ATOM 755 CE1 HIS A 49 0.958 -1.393 -6.842 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.291 -1.461 -6.893 1.00 0.00 N ATOM 0 H HIS A 49 1.437 -7.129 -4.862 1.00 0.00 H new ATOM 0 HA HIS A 49 2.579 -5.655 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.270 -5.217 -6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.111 -4.860 -4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.604 -3.155 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.386 -0.514 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.939 -0.724 -7.171 1.00 0.00 H new ATOM 764 N ILE A 50 4.768 -5.830 -5.885 1.00 0.00 N ATOM 765 CA ILE A 50 6.041 -5.484 -5.213 1.00 0.00 C ATOM 766 C ILE A 50 6.163 -3.970 -5.092 1.00 0.00 C ATOM 767 O ILE A 50 6.016 -3.236 -6.048 1.00 0.00 O ATOM 768 CB ILE A 50 7.146 -6.022 -6.113 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.089 -7.549 -6.143 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.494 -5.570 -5.559 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.476 -8.119 -4.774 1.00 0.00 C ATOM 0 H ILE A 50 4.854 -6.450 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 50 6.098 -5.907 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 50 7.015 -5.643 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.085 -7.878 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.765 -7.931 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.294 -5.949 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.532 -4.481 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.620 -5.957 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.432 -9.208 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.489 -7.805 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.783 -7.751 -4.017 1.00 0.00 H new ATOM 783 N VAL A 51 6.420 -3.516 -3.907 1.00 0.00 N ATOM 784 CA VAL A 51 6.552 -2.053 -3.657 1.00 0.00 C ATOM 785 C VAL A 51 7.983 -1.604 -3.950 1.00 0.00 C ATOM 786 O VAL A 51 8.925 -2.348 -3.763 1.00 0.00 O ATOM 787 CB VAL A 51 6.220 -1.906 -2.179 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.215 -0.432 -1.787 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.840 -2.505 -1.924 1.00 0.00 C ATOM 0 H VAL A 51 6.547 -4.103 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 51 5.904 -1.444 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 51 6.971 -2.426 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.976 -0.338 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.198 -0.002 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.467 0.099 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.590 -2.406 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.098 -1.978 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.845 -3.560 -2.198 1.00 0.00 H new ATOM 799 N GLN A 52 8.155 -0.405 -4.436 1.00 0.00 N ATOM 800 CA GLN A 52 9.530 0.066 -4.769 1.00 0.00 C ATOM 801 C GLN A 52 10.082 1.033 -3.739 1.00 0.00 C ATOM 802 O GLN A 52 9.366 1.813 -3.144 1.00 0.00 O ATOM 803 CB GLN A 52 9.383 0.820 -6.078 1.00 0.00 C ATOM 804 CG GLN A 52 9.032 -0.143 -7.220 1.00 0.00 C ATOM 805 CD GLN A 52 9.894 -1.407 -7.128 1.00 0.00 C ATOM 806 OE1 GLN A 52 11.106 -1.330 -7.095 1.00 0.00 O ATOM 807 NE2 GLN A 52 9.312 -2.575 -7.090 1.00 0.00 N ATOM 0 H GLN A 52 7.408 0.266 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 52 10.211 -0.784 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.605 1.578 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.311 1.343 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.976 -0.409 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.192 0.346 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.294 -2.639 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.875 -3.424 -7.033 1.00 0.00 H new ATOM 816 N ASP A 53 11.373 1.010 -3.561 1.00 0.00 N ATOM 817 CA ASP A 53 12.002 1.942 -2.611 1.00 0.00 C ATOM 818 C ASP A 53 11.614 3.364 -2.972 1.00 0.00 C ATOM 819 O ASP A 53 11.941 3.880 -4.022 1.00 0.00 O ATOM 820 CB ASP A 53 13.490 1.710 -2.758 1.00 0.00 C ATOM 821 CG ASP A 53 13.951 2.140 -4.151 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.147 2.074 -5.066 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.101 2.526 -4.280 1.00 0.00 O ATOM 0 H ASP A 53 12.015 0.379 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 53 11.686 1.784 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.031 2.273 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.720 0.656 -2.599 1.00 0.00 H new ATOM 828 N GLY A 54 10.860 3.961 -2.116 1.00 0.00 N ATOM 829 CA GLY A 54 10.347 5.331 -2.371 1.00 0.00 C ATOM 830 C GLY A 54 8.885 5.166 -2.763 1.00 0.00 C ATOM 831 O GLY A 54 8.256 6.052 -3.309 1.00 0.00 O ATOM 0 H GLY A 54 10.566 3.555 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.445 5.956 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.912 5.817 -3.166 1.00 0.00 H new ATOM 835 N ASP A 55 8.360 3.997 -2.494 1.00 0.00 N ATOM 836 CA ASP A 55 6.951 3.680 -2.843 1.00 0.00 C ATOM 837 C ASP A 55 5.999 4.830 -2.509 1.00 0.00 C ATOM 838 O ASP A 55 6.158 5.532 -1.536 1.00 0.00 O ATOM 839 CB ASP A 55 6.614 2.464 -1.986 1.00 0.00 C ATOM 840 CG ASP A 55 5.099 2.233 -1.995 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.560 2.010 -3.066 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.504 2.289 -0.931 1.00 0.00 O ATOM 0 H ASP A 55 8.864 3.237 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 55 6.840 3.503 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.129 1.583 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.963 2.618 -0.965 1.00 0.00 H new ATOM 847 N GLN A 56 4.985 5.002 -3.297 1.00 0.00 N ATOM 848 CA GLN A 56 3.993 6.070 -3.015 1.00 0.00 C ATOM 849 C GLN A 56 2.621 5.416 -2.868 1.00 0.00 C ATOM 850 O GLN A 56 2.321 4.460 -3.548 1.00 0.00 O ATOM 851 CB GLN A 56 4.051 6.991 -4.231 1.00 0.00 C ATOM 852 CG GLN A 56 2.792 7.846 -4.276 1.00 0.00 C ATOM 853 CD GLN A 56 3.163 9.279 -4.667 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.223 9.515 -5.213 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.333 10.252 -4.409 1.00 0.00 N ATOM 0 H GLN A 56 4.797 4.446 -4.131 1.00 0.00 H new ATOM 0 HA GLN A 56 4.191 6.629 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.935 7.627 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.137 6.402 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.084 7.433 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.299 7.839 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.443 10.055 -3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.574 11.209 -4.665 1.00 0.00 H new ATOM 864 N ILE A 57 1.800 5.879 -1.961 1.00 0.00 N ATOM 865 CA ILE A 57 0.477 5.217 -1.774 1.00 0.00 C ATOM 866 C ILE A 57 -0.664 6.211 -1.538 1.00 0.00 C ATOM 867 O ILE A 57 -0.504 7.245 -0.918 1.00 0.00 O ATOM 868 CB ILE A 57 0.644 4.360 -0.526 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.607 3.205 -0.789 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.715 3.801 -0.111 1.00 0.00 C ATOM 871 CD1 ILE A 57 1.854 2.465 0.524 1.00 0.00 C ATOM 0 H ILE A 57 1.985 6.675 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 57 0.211 4.657 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 57 1.053 4.980 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.189 2.526 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.547 3.581 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.599 3.187 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.398 4.624 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.120 3.192 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.541 1.636 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.288 3.150 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.909 2.079 0.907 1.00 0.00 H new ATOM 883 N LEU A 58 -1.834 5.844 -1.980 1.00 0.00 N ATOM 884 CA LEU A 58 -3.048 6.669 -1.750 1.00 0.00 C ATOM 885 C LEU A 58 -3.953 5.802 -0.879 1.00 0.00 C ATOM 886 O LEU A 58 -4.257 4.694 -1.246 1.00 0.00 O ATOM 887 CB LEU A 58 -3.647 6.903 -3.136 1.00 0.00 C ATOM 888 CG LEU A 58 -4.377 8.249 -3.178 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.461 8.290 -2.098 1.00 0.00 C ATOM 890 CD2 LEU A 58 -3.375 9.383 -2.941 1.00 0.00 C ATOM 0 H LEU A 58 -2.001 4.985 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.882 7.630 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.858 6.885 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.340 6.098 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.843 8.372 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.975 9.250 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.178 7.488 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.003 8.161 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.895 10.340 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.905 9.256 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.610 9.361 -3.717 1.00 0.00 H new ATOM 902 N LEU A 59 -4.316 6.225 0.300 1.00 0.00 N ATOM 903 CA LEU A 59 -5.117 5.304 1.166 1.00 0.00 C ATOM 904 C LEU A 59 -6.599 5.681 1.266 1.00 0.00 C ATOM 905 O LEU A 59 -6.960 6.762 1.686 1.00 0.00 O ATOM 906 CB LEU A 59 -4.460 5.402 2.540 1.00 0.00 C ATOM 907 CG LEU A 59 -4.294 3.997 3.132 1.00 0.00 C ATOM 908 CD1 LEU A 59 -5.661 3.319 3.259 1.00 0.00 C ATOM 909 CD2 LEU A 59 -3.398 3.160 2.213 1.00 0.00 C ATOM 0 H LEU A 59 -4.103 7.140 0.696 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.116 4.298 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.489 5.889 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.069 6.017 3.202 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.839 4.077 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.535 2.322 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.301 3.911 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.122 3.241 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.279 2.161 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.856 3.087 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.421 3.636 2.126 1.00 0.00 H new ATOM 921 N PHE A 60 -7.449 4.742 0.944 1.00 0.00 N ATOM 922 CA PHE A 60 -8.923 4.940 1.072 1.00 0.00 C ATOM 923 C PHE A 60 -9.490 3.606 1.536 1.00 0.00 C ATOM 924 O PHE A 60 -9.209 2.586 0.940 1.00 0.00 O ATOM 925 CB PHE A 60 -9.477 5.327 -0.311 1.00 0.00 C ATOM 926 CG PHE A 60 -8.551 4.906 -1.436 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.572 3.590 -1.924 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.693 5.848 -2.012 1.00 0.00 C ATOM 929 CE1 PHE A 60 -7.734 3.226 -2.988 1.00 0.00 C ATOM 930 CE2 PHE A 60 -6.853 5.480 -3.070 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.875 4.171 -3.559 1.00 0.00 C ATOM 0 H PHE A 60 -7.177 3.825 0.590 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.188 5.727 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.453 4.863 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.628 6.406 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.232 2.859 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.678 6.862 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.752 2.215 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.187 6.209 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.229 3.889 -4.377 1.00 0.00 H new ATOM 941 N GLN A 61 -10.227 3.552 2.608 1.00 0.00 N ATOM 942 CA GLN A 61 -10.684 2.207 3.044 1.00 0.00 C ATOM 943 C GLN A 61 -12.068 2.177 3.690 1.00 0.00 C ATOM 944 O GLN A 61 -12.668 3.187 3.996 1.00 0.00 O ATOM 945 CB GLN A 61 -9.622 1.770 4.054 1.00 0.00 C ATOM 946 CG GLN A 61 -9.573 2.769 5.214 1.00 0.00 C ATOM 947 CD GLN A 61 -10.041 2.092 6.503 1.00 0.00 C ATOM 948 OE1 GLN A 61 -9.949 0.888 6.641 1.00 0.00 O ATOM 949 NE2 GLN A 61 -10.547 2.822 7.459 1.00 0.00 N ATOM 0 H GLN A 61 -10.523 4.343 3.180 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.789 1.551 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.851 0.773 4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.647 1.712 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.558 3.146 5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.207 3.628 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.624 3.832 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.865 2.382 8.322 1.00 0.00 H new ATOM 958 N VAL A 62 -12.529 0.963 3.897 1.00 0.00 N ATOM 959 CA VAL A 62 -13.845 0.664 4.534 1.00 0.00 C ATOM 960 C VAL A 62 -14.962 0.526 3.509 1.00 0.00 C ATOM 961 O VAL A 62 -15.281 1.437 2.772 1.00 0.00 O ATOM 962 CB VAL A 62 -14.155 1.788 5.511 1.00 0.00 C ATOM 963 CG1 VAL A 62 -15.369 1.381 6.348 1.00 0.00 C ATOM 964 CG2 VAL A 62 -12.949 1.996 6.421 1.00 0.00 C ATOM 0 H VAL A 62 -12.011 0.125 3.632 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.782 -0.294 5.051 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.369 2.714 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -15.606 2.176 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.223 1.212 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.144 0.465 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -13.160 2.800 7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.744 1.077 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.080 2.260 5.819 1.00 0.00 H new ATOM 974 N ILE A 63 -15.603 -0.605 3.529 1.00 0.00 N ATOM 975 CA ILE A 63 -16.762 -0.849 2.647 1.00 0.00 C ATOM 976 C ILE A 63 -17.912 -1.077 3.603 1.00 0.00 C ATOM 977 O ILE A 63 -18.095 -2.159 4.125 1.00 0.00 O ATOM 978 CB ILE A 63 -16.443 -2.126 1.862 1.00 0.00 C ATOM 979 CG1 ILE A 63 -15.506 -1.805 0.696 1.00 0.00 C ATOM 980 CG2 ILE A 63 -17.739 -2.725 1.317 1.00 0.00 C ATOM 981 CD1 ILE A 63 -14.212 -1.196 1.233 1.00 0.00 C ATOM 0 H ILE A 63 -15.362 -1.388 4.137 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.990 -0.047 1.945 1.00 0.00 H new ATOM 0 HB ILE A 63 -15.957 -2.840 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.287 -2.712 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.989 -1.111 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.513 -3.633 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.406 -2.965 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.224 -2.005 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.545 -0.968 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.440 -0.280 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.727 -1.905 1.903 1.00 0.00 H new ATOM 993 N ALA A 64 -18.645 -0.056 3.899 1.00 0.00 N ATOM 994 CA ALA A 64 -19.728 -0.214 4.892 1.00 0.00 C ATOM 995 C ALA A 64 -21.097 -0.278 4.216 1.00 0.00 C ATOM 996 O ALA A 64 -21.560 0.680 3.631 1.00 0.00 O ATOM 997 CB ALA A 64 -19.593 1.019 5.776 1.00 0.00 C ATOM 0 H ALA A 64 -18.544 0.877 3.500 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.649 -1.142 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.358 0.996 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.607 1.028 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.717 1.916 5.170 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.745 -1.408 4.293 1.00 0.00 N ATOM 1004 CA GLY A 65 -23.084 -1.550 3.658 1.00 0.00 C ATOM 1005 C GLY A 65 -23.190 -2.929 3.008 1.00 0.00 C ATOM 1006 O GLY A 65 -22.860 -3.933 3.607 1.00 0.00 O ATOM 0 H GLY A 65 -21.403 -2.242 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.868 -1.426 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -23.229 -0.770 2.910 1.00 0.00 H new ATOM 1010 N GLY A 66 -23.649 -2.989 1.787 1.00 0.00 N ATOM 1011 CA GLY A 66 -23.777 -4.307 1.101 1.00 0.00 C ATOM 1012 C GLY A 66 -24.586 -4.140 -0.187 1.00 0.00 C ATOM 1013 O GLY A 66 -25.743 -3.765 -0.093 1.00 0.00 O ATOM 1014 OXT GLY A 66 -24.035 -4.393 -1.246 1.00 0.00 O ATOM 0 H GLY A 66 -23.941 -2.182 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -22.789 -4.707 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.267 -5.025 1.759 1.00 0.00 H new TER 1018 GLY A 66