USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 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 51 HIS : no HD1:sc= -0.252 K(o=3.6,f=0.067!) USER MOD Set 1.2: A 52 SER OG : rot 161:sc= 2.62 USER MOD Set 1.3: A 55 SER OG : rot -85:sc= 1.24 USER MOD Set 2.1: A 29 SER OG : rot -107:sc= -0.319 USER MOD Set 2.2: A 36 HIS : +bothHN:sc= 0.923 K(o=0.6,f=-7.8!) USER MOD Single : A 1 GLU N :NH3+ -166:sc= 1.4 (180deg=0.833) USER MOD Single : A 7 THR OG1 : rot 10:sc= 1.21 USER MOD Single : A 16 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 28 TYR OH : rot 176:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.542 K(o=0.54,f=-4!) USER MOD Single : A 40 TYR OH : rot -50:sc= 1.21 USER MOD Single : A 46 ASN : amide:sc= -0.0342 K(o=-0.034,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= 1.55 K(o=1.6,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 0.0275 K(o=0.028,f=-4.2!) USER MOD Single : A 65 HIS : +bothHN:sc= 1.55 K(o=1.6,f=-8.1!) USER MOD Single : A 66 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.6!) USER MOD Single : A 67 HIS : +bothHN:sc= -0.336! C(o=-0.34!,f=-7.9!) USER MOD Single : A 68 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 69 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-4.3!) USER MOD Single : A 70 HIS : no HE2:sc= 0.878 K(o=0.88,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.564 -0.664 4.523 1.00 1.00 N ATOM 2 CA GLU A 1 -4.470 0.200 5.302 1.00 1.00 C ATOM 3 C GLU A 1 -5.884 -0.374 5.212 1.00 1.00 C ATOM 4 O GLU A 1 -6.025 -1.576 5.017 1.00 1.00 O ATOM 5 CB GLU A 1 -4.347 1.679 4.881 1.00 1.00 C ATOM 6 CG GLU A 1 -2.904 2.206 4.726 1.00 1.00 C ATOM 7 CD GLU A 1 -1.961 1.852 5.878 1.00 1.00 C ATOM 8 OE1 GLU A 1 -1.545 0.669 5.938 1.00 1.00 O ATOM 9 OE2 GLU A 1 -1.603 2.737 6.687 1.00 1.00 O ATOM 0 H1 GLU A 1 -2.577 -0.436 4.760 1.00 1.00 H new ATOM 0 H2 GLU A 1 -3.753 -1.661 4.751 1.00 1.00 H new ATOM 0 H3 GLU A 1 -3.721 -0.506 3.507 1.00 1.00 H new ATOM 0 HA GLU A 1 -4.188 0.203 6.355 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -4.869 1.814 3.934 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -4.863 2.293 5.619 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -2.486 1.812 3.800 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -2.938 3.291 4.624 1.00 1.00 H new ATOM 18 N ALA A 2 -6.933 0.426 5.388 1.00 1.00 N ATOM 19 CA ALA A 2 -8.315 0.048 5.097 1.00 1.00 C ATOM 20 C ALA A 2 -9.095 1.311 4.741 1.00 1.00 C ATOM 21 O ALA A 2 -8.661 2.404 5.104 1.00 1.00 O ATOM 22 CB ALA A 2 -8.949 -0.645 6.310 1.00 1.00 C ATOM 0 H ALA A 2 -6.844 1.377 5.745 1.00 1.00 H new ATOM 0 HA ALA A 2 -8.338 -0.652 4.262 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -9.978 -0.919 6.076 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -8.381 -1.542 6.555 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -8.940 0.034 7.163 1.00 1.00 H new ATOM 28 N GLU A 3 -10.233 1.142 4.066 1.00 1.00 N ATOM 29 CA GLU A 3 -11.187 2.198 3.733 1.00 1.00 C ATOM 30 C GLU A 3 -12.586 1.634 3.965 1.00 1.00 C ATOM 31 O GLU A 3 -13.238 2.025 4.930 1.00 1.00 O ATOM 32 CB GLU A 3 -10.975 2.728 2.298 1.00 1.00 C ATOM 33 CG GLU A 3 -9.828 3.747 2.260 1.00 1.00 C ATOM 34 CD GLU A 3 -9.368 4.123 0.854 1.00 1.00 C ATOM 35 OE1 GLU A 3 -10.173 4.588 0.015 1.00 1.00 O ATOM 36 OE2 GLU A 3 -8.144 4.029 0.628 1.00 1.00 O ATOM 0 H GLU A 3 -10.526 0.227 3.723 1.00 1.00 H new ATOM 0 HA GLU A 3 -11.040 3.069 4.372 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -10.753 1.898 1.628 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.893 3.192 1.937 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -10.144 4.651 2.780 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -8.979 3.342 2.811 1.00 1.00 H new ATOM 43 N ALA A 4 -13.038 0.711 3.107 1.00 1.00 N ATOM 44 CA ALA A 4 -14.303 0.013 3.316 1.00 1.00 C ATOM 45 C ALA A 4 -14.128 -1.024 4.435 1.00 1.00 C ATOM 46 O ALA A 4 -12.997 -1.376 4.788 1.00 1.00 O ATOM 47 CB ALA A 4 -14.767 -0.645 2.011 1.00 1.00 C ATOM 0 H ALA A 4 -12.541 0.433 2.261 1.00 1.00 H new ATOM 0 HA ALA A 4 -15.072 0.724 3.617 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -15.711 -1.162 2.180 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -14.904 0.120 1.247 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -14.016 -1.361 1.677 1.00 1.00 H new ATOM 53 N GLU A 5 -15.248 -1.570 4.912 1.00 1.00 N ATOM 54 CA GLU A 5 -15.375 -2.481 6.053 1.00 1.00 C ATOM 55 C GLU A 5 -14.327 -3.593 6.012 1.00 1.00 C ATOM 56 O GLU A 5 -13.723 -3.920 7.036 1.00 1.00 O ATOM 57 CB GLU A 5 -16.790 -3.087 6.141 1.00 1.00 C ATOM 58 CG GLU A 5 -17.949 -2.074 6.131 1.00 1.00 C ATOM 59 CD GLU A 5 -18.416 -1.747 4.706 1.00 1.00 C ATOM 60 OE1 GLU A 5 -17.783 -0.867 4.078 1.00 1.00 O ATOM 61 OE2 GLU A 5 -19.369 -2.410 4.244 1.00 1.00 O ATOM 0 H GLU A 5 -16.152 -1.375 4.483 1.00 1.00 H new ATOM 0 HA GLU A 5 -15.201 -1.884 6.948 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -16.924 -3.774 5.305 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -16.856 -3.679 7.054 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -18.786 -2.475 6.703 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -17.633 -1.157 6.628 1.00 1.00 H new ATOM 68 N PHE A 6 -14.118 -4.187 4.835 1.00 1.00 N ATOM 69 CA PHE A 6 -13.062 -5.155 4.622 1.00 1.00 C ATOM 70 C PHE A 6 -12.592 -5.009 3.180 1.00 1.00 C ATOM 71 O PHE A 6 -13.137 -5.627 2.267 1.00 1.00 O ATOM 72 CB PHE A 6 -13.568 -6.571 4.943 1.00 1.00 C ATOM 73 CG PHE A 6 -12.486 -7.631 4.871 1.00 1.00 C ATOM 74 CD1 PHE A 6 -11.621 -7.824 5.964 1.00 1.00 C ATOM 75 CD2 PHE A 6 -12.328 -8.411 3.709 1.00 1.00 C ATOM 76 CE1 PHE A 6 -10.608 -8.798 5.899 1.00 1.00 C ATOM 77 CE2 PHE A 6 -11.314 -9.384 3.644 1.00 1.00 C ATOM 78 CZ PHE A 6 -10.455 -9.578 4.740 1.00 1.00 C ATOM 0 H PHE A 6 -14.683 -4.003 4.006 1.00 1.00 H new ATOM 0 HA PHE A 6 -12.217 -4.978 5.288 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -14.003 -6.575 5.942 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -14.366 -6.830 4.247 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -11.735 -7.223 6.854 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -12.987 -8.262 2.866 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -9.947 -8.946 6.740 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -11.195 -9.982 2.752 1.00 1.00 H new ATOM 0 HZ PHE A 6 -9.678 -10.326 4.691 1.00 1.00 H new ATOM 88 N THR A 7 -11.557 -4.197 2.972 1.00 1.00 N ATOM 89 CA THR A 7 -10.839 -3.979 1.722 1.00 1.00 C ATOM 90 C THR A 7 -9.634 -3.127 2.104 1.00 1.00 C ATOM 91 O THR A 7 -9.803 -2.018 2.618 1.00 1.00 O ATOM 92 CB THR A 7 -11.712 -3.263 0.666 1.00 1.00 C ATOM 93 OG1 THR A 7 -12.673 -4.151 0.138 1.00 1.00 O ATOM 94 CG2 THR A 7 -10.916 -2.747 -0.541 1.00 1.00 C ATOM 0 H THR A 7 -11.172 -3.634 3.730 1.00 1.00 H new ATOM 0 HA THR A 7 -10.550 -4.924 1.262 1.00 1.00 H new ATOM 0 HB THR A 7 -12.159 -2.422 1.197 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.683 -4.975 0.668 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.593 -2.256 -1.240 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.164 -2.034 -0.203 1.00 1.00 H new ATOM 0 HG23 THR A 7 -10.425 -3.584 -1.038 1.00 1.00 H new ATOM 102 N ASP A 8 -8.421 -3.665 1.945 1.00 1.00 N ATOM 103 CA ASP A 8 -7.232 -2.853 2.153 1.00 1.00 C ATOM 104 C ASP A 8 -7.155 -1.939 0.931 1.00 1.00 C ATOM 105 O ASP A 8 -7.240 -2.399 -0.214 1.00 1.00 O ATOM 106 CB ASP A 8 -5.948 -3.687 2.325 1.00 1.00 C ATOM 107 CG ASP A 8 -4.709 -2.830 2.675 1.00 1.00 C ATOM 108 OD1 ASP A 8 -4.542 -1.704 2.147 1.00 1.00 O ATOM 109 OD2 ASP A 8 -3.889 -3.236 3.529 1.00 1.00 O ATOM 0 H ASP A 8 -8.244 -4.634 1.680 1.00 1.00 H new ATOM 0 HA ASP A 8 -7.306 -2.291 3.084 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -6.105 -4.426 3.111 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -5.753 -4.237 1.404 1.00 1.00 H new ATOM 114 N ALA A 9 -7.008 -0.643 1.191 1.00 1.00 N ATOM 115 CA ALA A 9 -6.781 0.426 0.230 1.00 1.00 C ATOM 116 C ALA A 9 -5.741 0.054 -0.831 1.00 1.00 C ATOM 117 O ALA A 9 -5.753 0.614 -1.918 1.00 1.00 O ATOM 118 CB ALA A 9 -6.285 1.619 1.022 1.00 1.00 C ATOM 0 H ALA A 9 -7.048 -0.290 2.147 1.00 1.00 H new ATOM 0 HA ALA A 9 -7.708 0.633 -0.304 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.098 2.453 0.345 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.038 1.908 1.755 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -5.361 1.355 1.536 1.00 1.00 H new ATOM 124 N CYS A 10 -4.835 -0.884 -0.562 1.00 1.00 N ATOM 125 CA CYS A 10 -3.882 -1.397 -1.529 1.00 1.00 C ATOM 126 C CYS A 10 -4.519 -1.772 -2.887 1.00 1.00 C ATOM 127 O CYS A 10 -3.843 -1.687 -3.910 1.00 1.00 O ATOM 128 CB CYS A 10 -3.128 -2.562 -0.871 1.00 1.00 C ATOM 129 SG CYS A 10 -3.940 -4.175 -0.848 1.00 1.00 S ATOM 0 H CYS A 10 -4.746 -1.315 0.358 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.178 -0.608 -1.793 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.171 -2.674 -1.381 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -2.909 -2.281 0.159 1.00 1.00 H new ATOM 134 N VAL A 11 -5.799 -2.161 -2.931 1.00 1.00 N ATOM 135 CA VAL A 11 -6.492 -2.512 -4.178 1.00 1.00 C ATOM 136 C VAL A 11 -6.845 -1.265 -5.025 1.00 1.00 C ATOM 137 O VAL A 11 -6.937 -1.355 -6.252 1.00 1.00 O ATOM 138 CB VAL A 11 -7.743 -3.355 -3.823 1.00 1.00 C ATOM 139 CG1 VAL A 11 -8.494 -3.859 -5.067 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.370 -4.597 -2.988 1.00 1.00 C ATOM 0 H VAL A 11 -6.386 -2.242 -2.101 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.826 -3.104 -4.806 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.385 -2.681 -3.255 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -9.361 -4.443 -4.757 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.824 -3.008 -5.662 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.830 -4.484 -5.664 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.272 -5.165 -2.757 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.682 -5.224 -3.555 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.892 -4.282 -2.060 1.00 1.00 H new ATOM 150 N LEU A 12 -7.048 -0.110 -4.391 1.00 1.00 N ATOM 151 CA LEU A 12 -7.366 1.194 -4.976 1.00 1.00 C ATOM 152 C LEU A 12 -6.103 1.797 -5.607 1.00 1.00 C ATOM 153 O LEU A 12 -4.998 1.417 -5.230 1.00 1.00 O ATOM 154 CB LEU A 12 -8.001 2.016 -3.829 1.00 1.00 C ATOM 155 CG LEU A 12 -8.021 3.550 -3.857 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.364 4.141 -4.323 1.00 1.00 C ATOM 157 CD2 LEU A 12 -7.780 4.002 -2.426 1.00 1.00 C ATOM 0 H LEU A 12 -6.990 -0.057 -3.374 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.078 1.156 -5.801 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.036 1.687 -3.740 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.493 1.723 -2.910 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.266 3.893 -4.565 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.304 5.229 -4.318 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.583 3.795 -5.333 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.157 3.818 -3.649 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -7.783 5.091 -2.383 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -8.569 3.611 -1.783 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.815 3.628 -2.084 1.00 1.00 H new ATOM 169 N PRO A 13 -6.198 2.711 -6.589 1.00 1.00 N ATOM 170 CA PRO A 13 -5.023 3.372 -7.139 1.00 1.00 C ATOM 171 C PRO A 13 -4.360 4.302 -6.116 1.00 1.00 C ATOM 172 O PRO A 13 -4.916 4.617 -5.067 1.00 1.00 O ATOM 173 CB PRO A 13 -5.492 4.115 -8.393 1.00 1.00 C ATOM 174 CG PRO A 13 -7.019 4.187 -8.286 1.00 1.00 C ATOM 175 CD PRO A 13 -7.420 3.170 -7.218 1.00 1.00 C ATOM 0 HA PRO A 13 -4.250 2.648 -7.396 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -5.056 5.113 -8.443 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.187 3.588 -9.297 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.343 5.190 -8.009 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -7.488 3.953 -9.242 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.085 3.624 -6.483 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.961 2.335 -7.664 1.00 1.00 H new ATOM 183 N ALA A 14 -3.153 4.770 -6.435 1.00 1.00 N ATOM 184 CA ALA A 14 -2.462 5.736 -5.591 1.00 1.00 C ATOM 185 C ALA A 14 -3.176 7.081 -5.733 1.00 1.00 C ATOM 186 O ALA A 14 -3.128 7.673 -6.814 1.00 1.00 O ATOM 187 CB ALA A 14 -0.996 5.842 -6.034 1.00 1.00 C ATOM 0 H ALA A 14 -2.637 4.494 -7.271 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.477 5.426 -4.546 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -0.477 6.564 -5.404 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.516 4.868 -5.940 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -0.953 6.169 -7.073 1.00 1.00 H new ATOM 193 N VAL A 15 -3.814 7.579 -4.674 1.00 1.00 N ATOM 194 CA VAL A 15 -4.419 8.905 -4.686 1.00 1.00 C ATOM 195 C VAL A 15 -3.371 9.872 -4.162 1.00 1.00 C ATOM 196 O VAL A 15 -2.822 9.711 -3.073 1.00 1.00 O ATOM 197 CB VAL A 15 -5.706 8.974 -3.857 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.416 10.328 -4.009 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.684 7.859 -4.253 1.00 1.00 C ATOM 0 H VAL A 15 -3.924 7.078 -3.793 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.720 9.164 -5.701 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.406 8.847 -2.817 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.323 10.333 -3.405 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.753 11.126 -3.675 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -6.676 10.487 -5.055 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.587 7.935 -3.647 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.944 7.961 -5.307 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.216 6.889 -4.087 1.00 1.00 H new ATOM 209 N GLN A 16 -3.094 10.876 -4.976 1.00 1.00 N ATOM 210 CA GLN A 16 -2.115 11.915 -4.680 1.00 1.00 C ATOM 211 C GLN A 16 -2.710 12.967 -3.741 1.00 1.00 C ATOM 212 O GLN A 16 -1.991 13.496 -2.899 1.00 1.00 O ATOM 213 CB GLN A 16 -1.600 12.561 -5.974 1.00 1.00 C ATOM 214 CG GLN A 16 -0.977 11.526 -6.930 1.00 1.00 C ATOM 215 CD GLN A 16 -0.152 12.199 -8.023 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.564 12.289 -9.171 1.00 1.00 O ATOM 217 NE2 GLN A 16 1.037 12.675 -7.694 1.00 1.00 N ATOM 0 H GLN A 16 -3.551 10.997 -5.880 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.267 11.452 -4.174 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.422 13.070 -6.477 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.858 13.321 -5.729 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.344 10.842 -6.365 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.767 10.928 -7.385 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.371 12.595 -6.733 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.621 13.123 -8.401 1.00 1.00 H new ATOM 226 N GLY A 17 -4.011 13.232 -3.857 1.00 1.00 N ATOM 227 CA GLY A 17 -4.706 14.281 -3.128 1.00 1.00 C ATOM 228 C GLY A 17 -4.725 15.580 -3.947 1.00 1.00 C ATOM 229 O GLY A 17 -4.098 15.637 -5.007 1.00 1.00 O ATOM 0 H GLY A 17 -4.624 12.705 -4.480 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.727 13.966 -2.910 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.214 14.454 -2.171 1.00 1.00 H new ATOM 233 N PRO A 18 -5.438 16.629 -3.504 1.00 1.00 N ATOM 234 CA PRO A 18 -5.620 17.858 -4.275 1.00 1.00 C ATOM 235 C PRO A 18 -4.476 18.877 -4.127 1.00 1.00 C ATOM 236 O PRO A 18 -4.498 19.917 -4.797 1.00 1.00 O ATOM 237 CB PRO A 18 -6.934 18.438 -3.737 1.00 1.00 C ATOM 238 CG PRO A 18 -6.916 18.038 -2.261 1.00 1.00 C ATOM 239 CD PRO A 18 -6.243 16.667 -2.289 1.00 1.00 C ATOM 0 HA PRO A 18 -5.632 17.639 -5.343 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -6.976 19.520 -3.860 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.799 18.024 -4.256 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -6.356 18.751 -1.656 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.922 17.986 -1.844 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.621 16.522 -1.406 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.986 15.869 -2.290 1.00 1.00 H new ATOM 247 N CYS A 19 -3.520 18.663 -3.218 1.00 1.00 N ATOM 248 CA CYS A 19 -2.471 19.636 -2.918 1.00 1.00 C ATOM 249 C CYS A 19 -1.401 19.752 -4.000 1.00 1.00 C ATOM 250 O CYS A 19 -1.488 19.170 -5.075 1.00 1.00 O ATOM 251 CB CYS A 19 -1.902 19.394 -1.517 1.00 1.00 C ATOM 252 SG CYS A 19 -3.055 20.062 -0.311 1.00 1.00 S ATOM 0 H CYS A 19 -3.454 17.806 -2.669 1.00 1.00 H new ATOM 0 HA CYS A 19 -2.939 20.621 -2.919 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -1.752 18.328 -1.348 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.928 19.873 -1.416 1.00 1.00 H new ATOM 257 N ARG A 20 -0.431 20.624 -3.722 1.00 1.00 N ATOM 258 CA ARG A 20 0.696 20.951 -4.593 1.00 1.00 C ATOM 259 C ARG A 20 2.050 20.871 -3.880 1.00 1.00 C ATOM 260 O ARG A 20 3.076 21.266 -4.426 1.00 1.00 O ATOM 261 CB ARG A 20 0.444 22.293 -5.281 1.00 1.00 C ATOM 262 CG ARG A 20 -0.480 22.157 -6.512 1.00 1.00 C ATOM 263 CD ARG A 20 -1.770 22.985 -6.440 1.00 1.00 C ATOM 264 NE ARG A 20 -2.773 22.442 -5.498 1.00 1.00 N ATOM 265 CZ ARG A 20 -3.504 23.133 -4.608 1.00 1.00 C ATOM 266 NH1 ARG A 20 -3.262 24.422 -4.368 1.00 1.00 N ATOM 267 NH2 ARG A 20 -4.484 22.527 -3.950 1.00 1.00 N ATOM 0 H ARG A 20 -0.410 21.144 -2.845 1.00 1.00 H new ATOM 0 HA ARG A 20 0.762 20.188 -5.368 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -0.004 22.986 -4.568 1.00 1.00 H new ATOM 0 HB3 ARG A 20 1.396 22.725 -5.590 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.076 22.453 -7.401 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -0.745 21.107 -6.636 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -1.521 24.004 -6.144 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -2.212 23.041 -7.435 1.00 1.00 H new ATOM 0 HE ARG A 20 -2.926 21.434 -5.528 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -2.510 24.901 -4.864 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -3.829 24.929 -3.688 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -4.679 21.541 -4.121 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -5.042 23.048 -3.273 1.00 1.00 H new ATOM 281 N GLY A 21 2.017 20.448 -2.626 1.00 1.00 N ATOM 282 CA GLY A 21 3.188 20.152 -1.813 1.00 1.00 C ATOM 283 C GLY A 21 3.429 18.680 -2.165 1.00 1.00 C ATOM 284 O GLY A 21 2.465 18.003 -2.521 1.00 1.00 O ATOM 0 H GLY A 21 1.141 20.295 -2.127 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.039 20.782 -2.072 1.00 1.00 H new ATOM 0 HA3 GLY A 21 2.998 20.295 -0.749 1.00 1.00 H new ATOM 288 N TRP A 22 4.640 18.137 -2.047 1.00 1.00 N ATOM 289 CA TRP A 22 4.924 16.789 -2.509 1.00 1.00 C ATOM 290 C TRP A 22 5.680 16.045 -1.418 1.00 1.00 C ATOM 291 O TRP A 22 6.755 16.458 -0.988 1.00 1.00 O ATOM 292 CB TRP A 22 5.694 16.882 -3.834 1.00 1.00 C ATOM 293 CG TRP A 22 5.014 17.663 -4.932 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.587 18.683 -5.608 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.644 17.570 -5.457 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.682 19.231 -6.493 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.464 18.591 -6.439 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.515 16.764 -5.183 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.243 18.800 -7.105 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.289 16.955 -5.847 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.151 17.968 -6.809 1.00 1.00 C ATOM 0 H TRP A 22 5.440 18.616 -1.633 1.00 1.00 H new ATOM 0 HA TRP A 22 4.013 16.223 -2.704 1.00 1.00 H new ATOM 0 HB2 TRP A 22 6.665 17.337 -3.638 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.882 15.871 -4.195 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.604 19.020 -5.475 1.00 1.00 H new ATOM 0 HE1 TRP A 22 4.890 20.015 -7.112 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.596 15.981 -4.444 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.146 19.590 -7.835 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.448 16.318 -5.615 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.209 18.107 -7.319 1.00 1.00 H new ATOM 312 N GLU A 23 5.071 14.956 -0.979 1.00 1.00 N ATOM 313 CA GLU A 23 5.430 14.080 0.123 1.00 1.00 C ATOM 314 C GLU A 23 5.561 12.643 -0.438 1.00 1.00 C ATOM 315 O GLU A 23 4.569 12.096 -0.923 1.00 1.00 O ATOM 316 CB GLU A 23 4.298 14.260 1.160 1.00 1.00 C ATOM 317 CG GLU A 23 4.271 13.288 2.335 1.00 1.00 C ATOM 318 CD GLU A 23 5.458 13.396 3.289 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.549 12.939 2.892 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.226 13.616 4.497 1.00 1.00 O ATOM 0 H GLU A 23 4.220 14.629 -1.437 1.00 1.00 H new ATOM 0 HA GLU A 23 6.383 14.302 0.602 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.363 15.272 1.560 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.345 14.185 0.637 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.354 13.451 2.901 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.229 12.271 1.945 1.00 1.00 H new ATOM 327 N PRO A 24 6.753 12.013 -0.462 1.00 1.00 N ATOM 328 CA PRO A 24 6.936 10.649 -0.968 1.00 1.00 C ATOM 329 C PRO A 24 6.261 9.625 -0.055 1.00 1.00 C ATOM 330 O PRO A 24 6.543 9.525 1.144 1.00 1.00 O ATOM 331 CB PRO A 24 8.451 10.443 -1.052 1.00 1.00 C ATOM 332 CG PRO A 24 9.005 11.395 0.005 1.00 1.00 C ATOM 333 CD PRO A 24 8.030 12.568 -0.042 1.00 1.00 C ATOM 0 HA PRO A 24 6.471 10.510 -1.944 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.727 9.409 -0.844 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.833 10.681 -2.045 1.00 1.00 H new ATOM 0 HG2 PRO A 24 9.031 10.932 0.991 1.00 1.00 H new ATOM 0 HG3 PRO A 24 10.023 11.707 -0.227 1.00 1.00 H new ATOM 0 HD2 PRO A 24 7.946 13.044 0.935 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.372 13.332 -0.741 1.00 1.00 H new ATOM 341 N ARG A 25 5.389 8.804 -0.633 1.00 1.00 N ATOM 342 CA ARG A 25 4.737 7.685 0.045 1.00 1.00 C ATOM 343 C ARG A 25 4.840 6.439 -0.810 1.00 1.00 C ATOM 344 O ARG A 25 5.428 6.478 -1.890 1.00 1.00 O ATOM 345 CB ARG A 25 3.282 8.058 0.382 1.00 1.00 C ATOM 346 CG ARG A 25 3.188 9.089 1.516 1.00 1.00 C ATOM 347 CD ARG A 25 3.678 8.465 2.830 1.00 1.00 C ATOM 348 NE ARG A 25 3.539 9.397 3.957 1.00 1.00 N ATOM 349 CZ ARG A 25 4.413 10.368 4.261 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.579 10.466 3.624 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.098 11.260 5.194 1.00 1.00 N ATOM 0 H ARG A 25 5.109 8.900 -1.609 1.00 1.00 H new ATOM 0 HA ARG A 25 5.239 7.469 0.988 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.797 8.457 -0.509 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.736 7.159 0.667 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.789 9.966 1.273 1.00 1.00 H new ATOM 0 HG3 ARG A 25 2.158 9.429 1.626 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.111 7.557 3.036 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.723 8.172 2.727 1.00 1.00 H new ATOM 0 HE ARG A 25 2.717 9.298 4.553 1.00 1.00 H new ATOM 0 HH11 ARG A 25 5.818 9.796 2.893 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.232 11.211 3.868 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.199 11.202 5.672 1.00 1.00 H new ATOM 0 HH22 ARG A 25 4.756 12.002 5.433 1.00 1.00 H new ATOM 365 N TRP A 26 4.323 5.316 -0.318 1.00 1.00 N ATOM 366 CA TRP A 26 4.314 4.058 -1.054 1.00 1.00 C ATOM 367 C TRP A 26 2.867 3.704 -1.382 1.00 1.00 C ATOM 368 O TRP A 26 2.001 3.977 -0.566 1.00 1.00 O ATOM 369 CB TRP A 26 5.038 3.004 -0.201 1.00 1.00 C ATOM 370 CG TRP A 26 6.514 3.233 -0.114 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.130 4.131 0.689 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.554 2.676 -0.963 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.472 4.191 0.368 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.773 3.365 -0.695 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.575 1.686 -1.962 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.937 3.135 -1.444 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.715 1.492 -2.758 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.898 2.209 -2.500 1.00 1.00 C ATOM 0 H TRP A 26 3.897 5.254 0.607 1.00 1.00 H new ATOM 0 HA TRP A 26 4.844 4.119 -2.004 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.616 3.006 0.804 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.854 2.016 -0.622 1.00 1.00 H new ATOM 0 HD1 TRP A 26 6.647 4.711 1.461 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.154 4.772 0.855 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.704 1.068 -2.119 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.850 3.663 -1.212 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 8.684 0.787 -3.575 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.773 2.048 -3.112 1.00 1.00 H new ATOM 389 N ALA A 27 2.575 3.126 -2.546 1.00 1.00 N ATOM 390 CA ALA A 27 1.235 2.642 -2.874 1.00 1.00 C ATOM 391 C ALA A 27 1.370 1.290 -3.545 1.00 1.00 C ATOM 392 O ALA A 27 2.319 1.058 -4.308 1.00 1.00 O ATOM 393 CB ALA A 27 0.461 3.598 -3.787 1.00 1.00 C ATOM 0 H ALA A 27 3.260 2.980 -3.288 1.00 1.00 H new ATOM 0 HA ALA A 27 0.666 2.570 -1.947 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.526 3.184 -3.995 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.353 4.564 -3.294 1.00 1.00 H new ATOM 0 HB3 ALA A 27 1.005 3.727 -4.723 1.00 1.00 H new ATOM 399 N TYR A 28 0.422 0.405 -3.264 1.00 1.00 N ATOM 400 CA TYR A 28 0.338 -0.901 -3.889 1.00 1.00 C ATOM 401 C TYR A 28 -0.286 -0.762 -5.271 1.00 1.00 C ATOM 402 O TYR A 28 -1.125 0.098 -5.518 1.00 1.00 O ATOM 403 CB TYR A 28 -0.533 -1.807 -3.022 1.00 1.00 C ATOM 404 CG TYR A 28 -0.642 -3.267 -3.444 1.00 1.00 C ATOM 405 CD1 TYR A 28 -1.518 -3.639 -4.479 1.00 1.00 C ATOM 406 CD2 TYR A 28 0.038 -4.275 -2.734 1.00 1.00 C ATOM 407 CE1 TYR A 28 -1.691 -4.988 -4.823 1.00 1.00 C ATOM 408 CE2 TYR A 28 -0.101 -5.625 -3.104 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.950 -5.989 -4.167 1.00 1.00 C ATOM 410 OH TYR A 28 -1.075 -7.287 -4.551 1.00 1.00 O ATOM 0 H TYR A 28 -0.319 0.581 -2.585 1.00 1.00 H new ATOM 0 HA TYR A 28 1.335 -1.331 -3.988 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -0.146 -1.776 -2.003 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.538 -1.386 -2.994 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -2.064 -2.877 -5.015 1.00 1.00 H new ATOM 0 HD2 TYR A 28 0.671 -4.010 -1.900 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.396 -5.260 -5.595 1.00 1.00 H new ATOM 0 HE2 TYR A 28 0.447 -6.387 -2.570 1.00 1.00 H new ATOM 0 HH TYR A 28 -0.447 -7.841 -4.042 1.00 1.00 H new ATOM 420 N SER A 29 0.254 -1.494 -6.232 1.00 1.00 N ATOM 421 CA SER A 29 -0.245 -1.637 -7.581 1.00 1.00 C ATOM 422 C SER A 29 -0.615 -3.104 -7.789 1.00 1.00 C ATOM 423 O SER A 29 0.317 -3.912 -7.817 1.00 1.00 O ATOM 424 CB SER A 29 0.835 -1.087 -8.498 1.00 1.00 C ATOM 425 OG SER A 29 0.744 0.313 -8.325 1.00 1.00 O ATOM 0 H SER A 29 1.104 -2.035 -6.076 1.00 1.00 H new ATOM 0 HA SER A 29 -1.155 -1.078 -7.798 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.821 -1.461 -8.223 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.663 -1.374 -9.535 1.00 1.00 H new ATOM 0 HG SER A 29 0.343 0.716 -9.123 1.00 1.00 H new ATOM 431 N PRO A 30 -1.900 -3.466 -7.979 1.00 1.00 N ATOM 432 CA PRO A 30 -2.277 -4.842 -8.296 1.00 1.00 C ATOM 433 C PRO A 30 -1.784 -5.240 -9.687 1.00 1.00 C ATOM 434 O PRO A 30 -1.332 -6.362 -9.874 1.00 1.00 O ATOM 435 CB PRO A 30 -3.805 -4.894 -8.185 1.00 1.00 C ATOM 436 CG PRO A 30 -4.250 -3.451 -8.419 1.00 1.00 C ATOM 437 CD PRO A 30 -3.086 -2.620 -7.880 1.00 1.00 C ATOM 0 HA PRO A 30 -1.818 -5.556 -7.612 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.235 -5.568 -8.926 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.121 -5.254 -7.206 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.427 -3.253 -9.476 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.178 -3.228 -7.893 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -2.961 -1.705 -8.459 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.266 -2.322 -6.847 1.00 1.00 H new ATOM 445 N LEU A 31 -1.763 -4.298 -10.637 1.00 1.00 N ATOM 446 CA LEU A 31 -1.223 -4.494 -11.983 1.00 1.00 C ATOM 447 C LEU A 31 0.284 -4.763 -11.983 1.00 1.00 C ATOM 448 O LEU A 31 0.828 -5.176 -13.001 1.00 1.00 O ATOM 449 CB LEU A 31 -1.560 -3.289 -12.868 1.00 1.00 C ATOM 450 CG LEU A 31 -2.998 -3.369 -13.412 1.00 1.00 C ATOM 451 CD1 LEU A 31 -3.385 -2.004 -13.966 1.00 1.00 C ATOM 452 CD2 LEU A 31 -3.155 -4.416 -14.525 1.00 1.00 C ATOM 0 H LEU A 31 -2.130 -3.358 -10.486 1.00 1.00 H new ATOM 0 HA LEU A 31 -1.697 -5.386 -12.393 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.438 -2.370 -12.294 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.858 -3.241 -13.700 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.646 -3.668 -12.588 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.402 -2.045 -14.356 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.330 -1.260 -13.171 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.700 -1.729 -14.768 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -4.189 -4.428 -14.870 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -2.498 -4.164 -15.357 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -2.890 -5.400 -14.139 1.00 1.00 H new ATOM 464 N LEU A 32 0.968 -4.512 -10.863 1.00 1.00 N ATOM 465 CA LEU A 32 2.376 -4.829 -10.655 1.00 1.00 C ATOM 466 C LEU A 32 2.539 -5.866 -9.540 1.00 1.00 C ATOM 467 O LEU A 32 3.664 -6.277 -9.262 1.00 1.00 O ATOM 468 CB LEU A 32 3.087 -3.526 -10.268 1.00 1.00 C ATOM 469 CG LEU A 32 3.411 -2.626 -11.475 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.788 -1.221 -10.988 1.00 1.00 C ATOM 471 CD2 LEU A 32 4.565 -3.190 -12.314 1.00 1.00 C ATOM 0 H LEU A 32 0.539 -4.068 -10.052 1.00 1.00 H new ATOM 0 HA LEU A 32 2.805 -5.252 -11.564 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.460 -2.972 -9.569 1.00 1.00 H new ATOM 0 HB3 LEU A 32 4.012 -3.767 -9.745 1.00 1.00 H new ATOM 0 HG LEU A 32 2.520 -2.585 -12.102 1.00 1.00 H new ATOM 0 HD11 LEU A 32 4.016 -0.588 -11.845 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.954 -0.792 -10.432 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.662 -1.283 -10.340 1.00 1.00 H new ATOM 0 HD21 LEU A 32 4.762 -2.526 -13.155 1.00 1.00 H new ATOM 0 HD22 LEU A 32 5.460 -3.268 -11.696 1.00 1.00 H new ATOM 0 HD23 LEU A 32 4.295 -4.178 -12.687 1.00 1.00 H new ATOM 483 N GLN A 33 1.431 -6.247 -8.893 1.00 1.00 N ATOM 484 CA GLN A 33 1.305 -7.102 -7.724 1.00 1.00 C ATOM 485 C GLN A 33 2.370 -6.725 -6.680 1.00 1.00 C ATOM 486 O GLN A 33 2.966 -7.591 -6.036 1.00 1.00 O ATOM 487 CB GLN A 33 1.291 -8.581 -8.158 1.00 1.00 C ATOM 488 CG GLN A 33 0.653 -9.470 -7.075 1.00 1.00 C ATOM 489 CD GLN A 33 1.530 -10.651 -6.657 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.176 -11.808 -6.833 1.00 1.00 O ATOM 491 NE2 GLN A 33 2.696 -10.393 -6.090 1.00 1.00 N ATOM 0 H GLN A 33 0.516 -5.929 -9.212 1.00 1.00 H new ATOM 0 HA GLN A 33 0.351 -6.946 -7.220 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.737 -8.684 -9.091 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.310 -8.915 -8.354 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.437 -8.861 -6.198 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -0.301 -9.849 -7.443 1.00 1.00 H new ATOM 0 HE21 GLN A 33 2.990 -9.427 -5.944 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.302 -11.160 -5.798 1.00 1.00 H new ATOM 500 N GLN A 34 2.653 -5.424 -6.534 1.00 1.00 N ATOM 501 CA GLN A 34 3.738 -4.956 -5.676 1.00 1.00 C ATOM 502 C GLN A 34 3.502 -3.484 -5.347 1.00 1.00 C ATOM 503 O GLN A 34 2.690 -2.819 -5.993 1.00 1.00 O ATOM 504 CB GLN A 34 5.074 -5.108 -6.437 1.00 1.00 C ATOM 505 CG GLN A 34 6.332 -5.161 -5.551 1.00 1.00 C ATOM 506 CD GLN A 34 7.572 -4.577 -6.220 1.00 1.00 C ATOM 507 OE1 GLN A 34 8.308 -3.820 -5.595 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.845 -4.919 -7.469 1.00 1.00 N ATOM 0 H GLN A 34 2.140 -4.678 -7.003 1.00 1.00 H new ATOM 0 HA GLN A 34 3.773 -5.537 -4.755 1.00 1.00 H new ATOM 0 HB2 GLN A 34 5.032 -6.019 -7.034 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.174 -4.275 -7.133 1.00 1.00 H new ATOM 0 HG2 GLN A 34 6.138 -4.618 -4.626 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.531 -6.197 -5.277 1.00 1.00 H new ATOM 0 HE21 GLN A 34 7.222 -5.550 -7.973 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.679 -4.552 -7.928 1.00 1.00 H new ATOM 517 N CYS A 35 4.264 -2.937 -4.402 1.00 1.00 N ATOM 518 CA CYS A 35 4.165 -1.548 -3.996 1.00 1.00 C ATOM 519 C CYS A 35 5.348 -0.754 -4.512 1.00 1.00 C ATOM 520 O CYS A 35 6.494 -1.185 -4.390 1.00 1.00 O ATOM 521 CB CYS A 35 4.069 -1.439 -2.479 1.00 1.00 C ATOM 522 SG CYS A 35 2.890 -2.586 -1.736 1.00 1.00 S ATOM 0 H CYS A 35 4.977 -3.460 -3.893 1.00 1.00 H new ATOM 0 HA CYS A 35 3.257 -1.130 -4.429 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.055 -1.617 -2.049 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.785 -0.420 -2.215 1.00 1.00 H new ATOM 527 N HIS A 36 5.063 0.434 -5.037 1.00 1.00 N ATOM 528 CA HIS A 36 6.063 1.359 -5.579 1.00 1.00 C ATOM 529 C HIS A 36 5.959 2.705 -4.848 1.00 1.00 C ATOM 530 O HIS A 36 4.901 2.976 -4.275 1.00 1.00 O ATOM 531 CB HIS A 36 5.880 1.466 -7.107 1.00 1.00 C ATOM 532 CG HIS A 36 4.576 2.082 -7.563 1.00 1.00 C ATOM 533 ND1 HIS A 36 4.257 3.431 -7.518 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.508 1.418 -8.104 1.00 1.00 C ATOM 535 CE1 HIS A 36 3.011 3.582 -8.000 1.00 1.00 C ATOM 536 NE2 HIS A 36 2.548 2.373 -8.371 1.00 1.00 N ATOM 0 H HIS A 36 4.110 0.792 -5.101 1.00 1.00 H new ATOM 0 HA HIS A 36 7.075 0.992 -5.410 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.702 2.055 -7.514 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.960 0.467 -7.536 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.862 4.178 -7.178 1.00 1.00 H new ATOM 0 HD2 HIS A 36 3.432 0.356 -8.286 1.00 1.00 H new ATOM 0 HE1 HIS A 36 2.472 4.515 -8.077 1.00 1.00 H new ATOM 0 HE2 HIS A 36 1.633 2.192 -8.784 1.00 1.00 H new ATOM 545 N PRO A 37 6.996 3.563 -4.857 1.00 1.00 N ATOM 546 CA PRO A 37 6.867 4.892 -4.279 1.00 1.00 C ATOM 547 C PRO A 37 5.970 5.750 -5.165 1.00 1.00 C ATOM 548 O PRO A 37 5.731 5.406 -6.329 1.00 1.00 O ATOM 549 CB PRO A 37 8.271 5.474 -4.181 1.00 1.00 C ATOM 550 CG PRO A 37 9.105 4.663 -5.178 1.00 1.00 C ATOM 551 CD PRO A 37 8.290 3.408 -5.504 1.00 1.00 C ATOM 0 HA PRO A 37 6.410 4.858 -3.290 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.277 6.535 -4.432 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.666 5.383 -3.169 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.303 5.242 -6.080 1.00 1.00 H new ATOM 0 HG3 PRO A 37 10.072 4.398 -4.750 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.172 3.294 -6.582 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.798 2.514 -5.143 1.00 1.00 H new ATOM 559 N PHE A 38 5.493 6.876 -4.648 1.00 1.00 N ATOM 560 CA PHE A 38 4.710 7.833 -5.407 1.00 1.00 C ATOM 561 C PHE A 38 4.781 9.176 -4.698 1.00 1.00 C ATOM 562 O PHE A 38 5.262 9.257 -3.566 1.00 1.00 O ATOM 563 CB PHE A 38 3.256 7.353 -5.592 1.00 1.00 C ATOM 564 CG PHE A 38 2.305 7.544 -4.422 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.346 6.694 -3.301 1.00 1.00 C ATOM 566 CD2 PHE A 38 1.312 8.539 -4.496 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.368 6.813 -2.295 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.339 8.650 -3.494 1.00 1.00 C ATOM 569 CZ PHE A 38 0.353 7.774 -2.399 1.00 1.00 C ATOM 0 H PHE A 38 5.643 7.150 -3.677 1.00 1.00 H new ATOM 0 HA PHE A 38 5.122 7.934 -6.411 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.837 7.870 -6.455 1.00 1.00 H new ATOM 0 HB3 PHE A 38 3.280 6.291 -5.838 1.00 1.00 H new ATOM 0 HD1 PHE A 38 3.126 5.952 -3.213 1.00 1.00 H new ATOM 0 HD2 PHE A 38 1.300 9.223 -5.332 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.400 6.159 -1.436 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.423 9.412 -3.565 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.413 7.839 -1.641 1.00 1.00 H new ATOM 579 N VAL A 39 4.312 10.219 -5.372 1.00 1.00 N ATOM 580 CA VAL A 39 4.228 11.551 -4.814 1.00 1.00 C ATOM 581 C VAL A 39 2.792 11.738 -4.338 1.00 1.00 C ATOM 582 O VAL A 39 1.861 11.738 -5.145 1.00 1.00 O ATOM 583 CB VAL A 39 4.667 12.568 -5.887 1.00 1.00 C ATOM 584 CG1 VAL A 39 4.265 13.994 -5.515 1.00 1.00 C ATOM 585 CG2 VAL A 39 6.189 12.505 -6.087 1.00 1.00 C ATOM 0 H VAL A 39 3.977 10.156 -6.333 1.00 1.00 H new ATOM 0 HA VAL A 39 4.891 11.704 -3.963 1.00 1.00 H new ATOM 0 HB VAL A 39 4.160 12.301 -6.814 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.592 14.680 -6.296 1.00 1.00 H new ATOM 0 HG12 VAL A 39 3.181 14.051 -5.412 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.734 14.270 -4.570 1.00 1.00 H new ATOM 0 HG21 VAL A 39 6.486 13.228 -6.847 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.689 12.740 -5.148 1.00 1.00 H new ATOM 0 HG23 VAL A 39 6.473 11.503 -6.409 1.00 1.00 H new ATOM 595 N TYR A 40 2.631 11.858 -3.031 1.00 1.00 N ATOM 596 CA TYR A 40 1.396 12.178 -2.339 1.00 1.00 C ATOM 597 C TYR A 40 1.488 13.680 -2.025 1.00 1.00 C ATOM 598 O TYR A 40 2.577 14.257 -2.073 1.00 1.00 O ATOM 599 CB TYR A 40 1.298 11.246 -1.121 1.00 1.00 C ATOM 600 CG TYR A 40 0.395 11.694 -0.001 1.00 1.00 C ATOM 601 CD1 TYR A 40 -0.992 11.842 -0.191 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.973 11.980 1.246 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.790 12.328 0.858 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.176 12.417 2.310 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.208 12.619 2.114 1.00 1.00 C ATOM 606 OH TYR A 40 -1.957 13.131 3.120 1.00 1.00 O ATOM 0 H TYR A 40 3.409 11.726 -2.385 1.00 1.00 H new ATOM 0 HA TYR A 40 0.478 12.015 -2.903 1.00 1.00 H new ATOM 0 HB2 TYR A 40 0.956 10.270 -1.465 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.300 11.108 -0.716 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.440 11.583 -1.139 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.038 11.862 1.385 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.848 12.480 0.705 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.618 12.599 3.278 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.462 13.904 2.791 1.00 1.00 H new ATOM 616 N GLY A 41 0.370 14.340 -1.721 1.00 1.00 N ATOM 617 CA GLY A 41 0.336 15.785 -1.547 1.00 1.00 C ATOM 618 C GLY A 41 0.335 16.290 -0.107 1.00 1.00 C ATOM 619 O GLY A 41 0.283 17.501 0.095 1.00 1.00 O ATOM 0 H GLY A 41 -0.534 13.885 -1.590 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.198 16.212 -2.059 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -0.554 16.169 -2.046 1.00 1.00 H new ATOM 623 N GLY A 42 0.365 15.401 0.890 1.00 1.00 N ATOM 624 CA GLY A 42 0.457 15.767 2.307 1.00 1.00 C ATOM 625 C GLY A 42 -0.821 16.363 2.908 1.00 1.00 C ATOM 626 O GLY A 42 -0.827 16.718 4.082 1.00 1.00 O ATOM 0 H GLY A 42 0.326 14.394 0.734 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.730 14.880 2.879 1.00 1.00 H new ATOM 0 HA3 GLY A 42 1.267 16.486 2.429 1.00 1.00 H new ATOM 630 N CYS A 43 -1.890 16.455 2.123 1.00 1.00 N ATOM 631 CA CYS A 43 -3.239 16.873 2.481 1.00 1.00 C ATOM 632 C CYS A 43 -4.205 15.764 2.048 1.00 1.00 C ATOM 633 O CYS A 43 -3.737 14.651 1.783 1.00 1.00 O ATOM 634 CB CYS A 43 -3.548 18.270 1.958 1.00 1.00 C ATOM 635 SG CYS A 43 -4.039 18.396 0.231 1.00 1.00 S ATOM 0 H CYS A 43 -1.827 16.218 1.133 1.00 1.00 H new ATOM 0 HA CYS A 43 -3.354 16.988 3.559 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.344 18.694 2.570 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.666 18.892 2.107 1.00 1.00 H new ATOM 640 N GLU A 44 -5.517 15.991 2.140 1.00 1.00 N ATOM 641 CA GLU A 44 -6.594 15.027 1.897 1.00 1.00 C ATOM 642 C GLU A 44 -6.239 14.013 0.800 1.00 1.00 C ATOM 643 O GLU A 44 -5.766 14.367 -0.280 1.00 1.00 O ATOM 644 CB GLU A 44 -7.880 15.739 1.452 1.00 1.00 C ATOM 645 CG GLU A 44 -8.330 16.861 2.388 1.00 1.00 C ATOM 646 CD GLU A 44 -7.647 18.187 2.033 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.036 18.811 1.021 1.00 1.00 O ATOM 648 OE2 GLU A 44 -6.673 18.517 2.745 1.00 1.00 O ATOM 0 H GLU A 44 -5.878 16.908 2.402 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.739 14.507 2.844 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.727 16.152 0.455 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.681 15.004 1.373 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.412 16.978 2.326 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.097 16.594 3.419 1.00 1.00 H new ATOM 655 N GLY A 45 -6.496 12.737 1.062 1.00 1.00 N ATOM 656 CA GLY A 45 -6.132 11.630 0.200 1.00 1.00 C ATOM 657 C GLY A 45 -6.836 10.381 0.709 1.00 1.00 C ATOM 658 O GLY A 45 -7.455 10.413 1.776 1.00 1.00 O ATOM 0 H GLY A 45 -6.980 12.440 1.909 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -6.423 11.838 -0.830 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -5.052 11.485 0.202 1.00 1.00 H new ATOM 662 N ASN A 46 -6.706 9.280 -0.027 1.00 1.00 N ATOM 663 CA ASN A 46 -7.234 7.990 0.404 1.00 1.00 C ATOM 664 C ASN A 46 -6.125 7.227 1.131 1.00 1.00 C ATOM 665 O ASN A 46 -5.009 7.717 1.327 1.00 1.00 O ATOM 666 CB ASN A 46 -7.745 7.148 -0.774 1.00 1.00 C ATOM 667 CG ASN A 46 -8.991 7.653 -1.487 1.00 1.00 C ATOM 668 OD1 ASN A 46 -9.086 8.820 -1.850 1.00 1.00 O ATOM 669 ND2 ASN A 46 -9.937 6.767 -1.759 1.00 1.00 N ATOM 0 H ASN A 46 -6.235 9.257 -0.932 1.00 1.00 H new ATOM 0 HA ASN A 46 -8.082 8.173 1.064 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -6.943 7.067 -1.507 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.946 6.141 -0.410 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -10.766 7.050 -2.281 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -9.836 5.801 -1.447 1.00 1.00 H new ATOM 676 N GLY A 47 -6.432 5.988 1.485 1.00 1.00 N ATOM 677 CA GLY A 47 -5.632 5.089 2.284 1.00 1.00 C ATOM 678 C GLY A 47 -4.625 4.280 1.481 1.00 1.00 C ATOM 679 O GLY A 47 -3.868 3.548 2.115 1.00 1.00 O ATOM 0 H GLY A 47 -7.312 5.559 1.197 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.099 5.667 3.039 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.293 4.404 2.814 1.00 1.00 H new ATOM 683 N ASN A 48 -4.567 4.347 0.136 1.00 1.00 N ATOM 684 CA ASN A 48 -3.488 3.656 -0.592 1.00 1.00 C ATOM 685 C ASN A 48 -2.251 4.538 -0.502 1.00 1.00 C ATOM 686 O ASN A 48 -1.788 5.138 -1.474 1.00 1.00 O ATOM 687 CB ASN A 48 -3.788 3.235 -2.038 1.00 1.00 C ATOM 688 CG ASN A 48 -2.677 2.292 -2.545 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.714 1.949 -1.860 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.766 1.805 -3.763 1.00 1.00 N ATOM 0 H ASN A 48 -5.230 4.854 -0.450 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.345 2.690 -0.107 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.755 2.734 -2.088 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -3.852 4.115 -2.678 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.051 1.166 -4.110 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.550 2.066 -4.361 1.00 1.00 H new ATOM 697 N ASN A 49 -1.778 4.665 0.728 1.00 1.00 N ATOM 698 CA ASN A 49 -0.711 5.506 1.176 1.00 1.00 C ATOM 699 C ASN A 49 -0.049 4.655 2.247 1.00 1.00 C ATOM 700 O ASN A 49 -0.621 4.392 3.303 1.00 1.00 O ATOM 701 CB ASN A 49 -1.361 6.780 1.743 1.00 1.00 C ATOM 702 CG ASN A 49 -0.360 7.837 2.175 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.694 7.543 2.726 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.674 9.097 1.917 1.00 1.00 N ATOM 0 H ASN A 49 -2.177 4.127 1.498 1.00 1.00 H new ATOM 0 HA ASN A 49 0.013 5.822 0.425 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.023 7.206 0.989 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.983 6.511 2.597 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.033 9.846 2.178 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.557 9.319 1.457 1.00 1.00 H new ATOM 711 N PHE A 50 1.173 4.229 1.978 1.00 1.00 N ATOM 712 CA PHE A 50 1.935 3.328 2.806 1.00 1.00 C ATOM 713 C PHE A 50 3.123 4.106 3.298 1.00 1.00 C ATOM 714 O PHE A 50 3.657 5.015 2.645 1.00 1.00 O ATOM 715 CB PHE A 50 2.282 2.005 2.107 1.00 1.00 C ATOM 716 CG PHE A 50 1.083 1.077 2.034 1.00 1.00 C ATOM 717 CD1 PHE A 50 0.120 1.232 1.017 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.881 0.111 3.039 1.00 1.00 C ATOM 719 CE1 PHE A 50 -1.025 0.414 0.999 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.263 -0.707 3.018 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.214 -0.557 1.995 1.00 1.00 C ATOM 0 H PHE A 50 1.677 4.517 1.140 1.00 1.00 H new ATOM 0 HA PHE A 50 1.344 2.987 3.656 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.645 2.210 1.100 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.092 1.511 2.644 1.00 1.00 H new ATOM 0 HD1 PHE A 50 0.261 1.980 0.250 1.00 1.00 H new ATOM 0 HD2 PHE A 50 1.608 -0.002 3.830 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.760 0.534 0.217 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -0.410 -1.450 3.788 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.090 -1.188 1.975 1.00 1.00 H new ATOM 731 N HIS A 51 3.671 3.539 4.357 1.00 1.00 N ATOM 732 CA HIS A 51 4.729 4.124 5.148 1.00 1.00 C ATOM 733 C HIS A 51 6.067 3.631 4.606 1.00 1.00 C ATOM 734 O HIS A 51 7.096 4.254 4.834 1.00 1.00 O ATOM 735 CB HIS A 51 4.574 3.484 6.547 1.00 1.00 C ATOM 736 CG HIS A 51 3.135 3.267 6.999 1.00 1.00 C ATOM 737 ND1 HIS A 51 2.579 1.996 7.067 1.00 1.00 N ATOM 738 CD2 HIS A 51 2.106 4.178 7.030 1.00 1.00 C ATOM 739 CE1 HIS A 51 1.244 2.130 7.150 1.00 1.00 C ATOM 740 NE2 HIS A 51 0.935 3.437 7.135 1.00 1.00 N ATOM 0 H HIS A 51 3.378 2.624 4.700 1.00 1.00 H new ATOM 0 HA HIS A 51 4.687 5.213 5.146 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.089 2.523 6.550 1.00 1.00 H new ATOM 0 HB3 HIS A 51 5.077 4.117 7.278 1.00 1.00 H new ATOM 0 HD2 HIS A 51 2.191 5.254 6.982 1.00 1.00 H new ATOM 0 HE1 HIS A 51 0.535 1.318 7.218 1.00 1.00 H new ATOM 0 HE2 HIS A 51 -0.007 3.823 7.192 1.00 1.00 H new ATOM 749 N SER A 52 6.055 2.514 3.879 1.00 1.00 N ATOM 750 CA SER A 52 7.247 1.867 3.373 1.00 1.00 C ATOM 751 C SER A 52 6.834 0.779 2.410 1.00 1.00 C ATOM 752 O SER A 52 5.679 0.345 2.390 1.00 1.00 O ATOM 753 CB SER A 52 8.033 1.220 4.527 1.00 1.00 C ATOM 754 OG SER A 52 7.150 0.629 5.476 1.00 1.00 O ATOM 0 H SER A 52 5.194 2.030 3.625 1.00 1.00 H new ATOM 0 HA SER A 52 7.874 2.609 2.879 1.00 1.00 H new ATOM 0 HB2 SER A 52 8.709 0.462 4.132 1.00 1.00 H new ATOM 0 HB3 SER A 52 8.650 1.972 5.018 1.00 1.00 H new ATOM 0 HG SER A 52 7.642 -0.022 6.019 1.00 1.00 H new ATOM 760 N ARG A 53 7.809 0.299 1.640 1.00 1.00 N ATOM 761 CA ARG A 53 7.568 -0.839 0.788 1.00 1.00 C ATOM 762 C ARG A 53 7.300 -2.041 1.686 1.00 1.00 C ATOM 763 O ARG A 53 6.381 -2.800 1.429 1.00 1.00 O ATOM 764 CB ARG A 53 8.762 -1.089 -0.096 1.00 1.00 C ATOM 765 CG ARG A 53 8.233 -1.907 -1.278 1.00 1.00 C ATOM 766 CD ARG A 53 9.257 -1.771 -2.376 1.00 1.00 C ATOM 767 NE ARG A 53 10.371 -2.726 -2.202 1.00 1.00 N ATOM 768 CZ ARG A 53 10.143 -4.046 -2.237 1.00 1.00 C ATOM 769 NH1 ARG A 53 9.240 -4.555 -3.061 1.00 1.00 N ATOM 770 NH2 ARG A 53 10.752 -4.861 -1.386 1.00 1.00 N ATOM 0 H ARG A 53 8.754 0.680 1.596 1.00 1.00 H new ATOM 0 HA ARG A 53 6.711 -0.658 0.139 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.203 -0.151 -0.434 1.00 1.00 H new ATOM 0 HB3 ARG A 53 9.540 -1.632 0.440 1.00 1.00 H new ATOM 0 HG2 ARG A 53 8.098 -2.952 -0.999 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.261 -1.536 -1.604 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.780 -1.939 -3.342 1.00 1.00 H new ATOM 0 HD3 ARG A 53 9.648 -0.753 -2.386 1.00 1.00 H new ATOM 0 HE ARG A 53 11.319 -2.379 -2.054 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.709 -3.941 -3.678 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.075 -5.561 -3.078 1.00 1.00 H new ATOM 0 HH21 ARG A 53 11.402 -4.485 -0.696 1.00 1.00 H new ATOM 0 HH22 ARG A 53 10.571 -5.864 -1.422 1.00 1.00 H new ATOM 784 N GLU A 54 8.100 -2.152 2.753 1.00 1.00 N ATOM 785 CA GLU A 54 8.016 -3.133 3.818 1.00 1.00 C ATOM 786 C GLU A 54 6.587 -3.261 4.302 1.00 1.00 C ATOM 787 O GLU A 54 5.986 -4.302 4.081 1.00 1.00 O ATOM 788 CB GLU A 54 8.991 -2.700 4.929 1.00 1.00 C ATOM 789 CG GLU A 54 8.841 -3.356 6.319 1.00 1.00 C ATOM 790 CD GLU A 54 7.870 -2.614 7.255 1.00 1.00 C ATOM 791 OE1 GLU A 54 7.727 -1.378 7.082 1.00 1.00 O ATOM 792 OE2 GLU A 54 7.230 -3.296 8.088 1.00 1.00 O ATOM 0 H GLU A 54 8.877 -1.507 2.896 1.00 1.00 H new ATOM 0 HA GLU A 54 8.303 -4.125 3.470 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.005 -2.891 4.577 1.00 1.00 H new ATOM 0 HB3 GLU A 54 8.895 -1.622 5.056 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.495 -4.382 6.191 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.821 -3.407 6.794 1.00 1.00 H new ATOM 799 N SER A 55 6.044 -2.211 4.909 1.00 1.00 N ATOM 800 CA SER A 55 4.718 -2.286 5.521 1.00 1.00 C ATOM 801 C SER A 55 3.644 -2.698 4.511 1.00 1.00 C ATOM 802 O SER A 55 2.722 -3.426 4.854 1.00 1.00 O ATOM 803 CB SER A 55 4.366 -0.988 6.266 1.00 1.00 C ATOM 804 OG SER A 55 4.487 0.195 5.495 1.00 1.00 O ATOM 0 H SER A 55 6.497 -1.301 4.991 1.00 1.00 H new ATOM 0 HA SER A 55 4.748 -3.077 6.271 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.342 -1.063 6.632 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.011 -0.902 7.140 1.00 1.00 H new ATOM 0 HG SER A 55 5.416 0.507 5.519 1.00 1.00 H new ATOM 810 N CYS A 56 3.789 -2.274 3.258 1.00 1.00 N ATOM 811 CA CYS A 56 2.860 -2.568 2.183 1.00 1.00 C ATOM 812 C CYS A 56 2.924 -4.019 1.738 1.00 1.00 C ATOM 813 O CYS A 56 1.895 -4.675 1.621 1.00 1.00 O ATOM 814 CB CYS A 56 3.233 -1.627 1.041 1.00 1.00 C ATOM 815 SG CYS A 56 2.032 -1.469 -0.285 1.00 1.00 S ATOM 0 H CYS A 56 4.579 -1.702 2.960 1.00 1.00 H new ATOM 0 HA CYS A 56 1.833 -2.417 2.516 1.00 1.00 H new ATOM 0 HB2 CYS A 56 3.413 -0.637 1.459 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.175 -1.968 0.611 1.00 1.00 H new ATOM 820 N GLU A 57 4.131 -4.522 1.500 1.00 1.00 N ATOM 821 CA GLU A 57 4.356 -5.935 1.198 1.00 1.00 C ATOM 822 C GLU A 57 3.895 -6.794 2.375 1.00 1.00 C ATOM 823 O GLU A 57 3.524 -7.954 2.217 1.00 1.00 O ATOM 824 CB GLU A 57 5.853 -6.221 0.989 1.00 1.00 C ATOM 825 CG GLU A 57 6.527 -5.728 -0.291 1.00 1.00 C ATOM 826 CD GLU A 57 8.011 -6.132 -0.310 1.00 1.00 C ATOM 827 OE1 GLU A 57 8.710 -5.978 0.722 1.00 1.00 O ATOM 828 OE2 GLU A 57 8.511 -6.528 -1.388 1.00 1.00 O ATOM 0 H GLU A 57 4.983 -3.962 1.511 1.00 1.00 H new ATOM 0 HA GLU A 57 3.798 -6.170 0.292 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.392 -5.790 1.833 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.993 -7.301 1.040 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.019 -6.146 -1.160 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.438 -4.644 -0.361 1.00 1.00 H new ATOM 835 N ASP A 58 4.048 -6.268 3.590 1.00 1.00 N ATOM 836 CA ASP A 58 3.752 -7.004 4.800 1.00 1.00 C ATOM 837 C ASP A 58 2.237 -6.961 5.044 1.00 1.00 C ATOM 838 O ASP A 58 1.725 -7.821 5.752 1.00 1.00 O ATOM 839 CB ASP A 58 4.549 -6.447 5.972 1.00 1.00 C ATOM 840 CG ASP A 58 4.661 -7.510 7.048 1.00 1.00 C ATOM 841 OD1 ASP A 58 5.688 -8.240 6.988 1.00 1.00 O ATOM 842 OD2 ASP A 58 3.877 -7.559 8.011 1.00 1.00 O ATOM 0 H ASP A 58 4.381 -5.318 3.754 1.00 1.00 H new ATOM 0 HA ASP A 58 4.051 -8.047 4.693 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.542 -6.142 5.640 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.059 -5.559 6.371 1.00 1.00 H new ATOM 847 N ALA A 59 1.519 -5.962 4.502 1.00 1.00 N ATOM 848 CA ALA A 59 0.068 -5.892 4.557 1.00 1.00 C ATOM 849 C ALA A 59 -0.587 -6.710 3.433 1.00 1.00 C ATOM 850 O ALA A 59 -1.257 -7.709 3.708 1.00 1.00 O ATOM 851 CB ALA A 59 -0.378 -4.425 4.483 1.00 1.00 C ATOM 0 H ALA A 59 1.945 -5.177 4.010 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.257 -6.326 5.502 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.466 -4.373 4.524 1.00 1.00 H new ATOM 0 HB2 ALA A 59 0.044 -3.874 5.323 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -0.029 -3.985 3.549 1.00 1.00 H new ATOM 857 N CYS A 60 -0.355 -6.351 2.166 1.00 1.00 N ATOM 858 CA CYS A 60 -1.027 -6.949 1.012 1.00 1.00 C ATOM 859 C CYS A 60 -0.191 -8.011 0.293 1.00 1.00 C ATOM 860 O CYS A 60 0.999 -8.142 0.576 1.00 1.00 O ATOM 861 CB CYS A 60 -1.502 -5.809 0.098 1.00 1.00 C ATOM 862 SG CYS A 60 -3.045 -5.107 0.725 1.00 1.00 S ATOM 0 H CYS A 60 0.315 -5.626 1.912 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.892 -7.517 1.355 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.737 -5.034 0.044 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.649 -6.183 -0.915 1.00 1.00 H new ATOM 867 N PRO A 61 -0.798 -8.828 -0.594 1.00 1.00 N ATOM 868 CA PRO A 61 -0.100 -9.931 -1.241 1.00 1.00 C ATOM 869 C PRO A 61 0.971 -9.440 -2.219 1.00 1.00 C ATOM 870 O PRO A 61 0.670 -8.885 -3.277 1.00 1.00 O ATOM 871 CB PRO A 61 -1.174 -10.795 -1.914 1.00 1.00 C ATOM 872 CG PRO A 61 -2.347 -9.838 -2.104 1.00 1.00 C ATOM 873 CD PRO A 61 -2.222 -8.898 -0.908 1.00 1.00 C ATOM 0 HA PRO A 61 0.453 -10.523 -0.512 1.00 1.00 H new ATOM 0 HB2 PRO A 61 -0.826 -11.195 -2.866 1.00 1.00 H new ATOM 0 HB3 PRO A 61 -1.450 -11.647 -1.292 1.00 1.00 H new ATOM 0 HG2 PRO A 61 -2.279 -9.299 -3.049 1.00 1.00 H new ATOM 0 HG3 PRO A 61 -3.301 -10.365 -2.105 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -2.617 -7.910 -1.146 1.00 1.00 H new ATOM 0 HD3 PRO A 61 -2.791 -9.273 -0.057 1.00 1.00 H new ATOM 881 N VAL A 62 2.221 -9.633 -1.819 1.00 1.00 N ATOM 882 CA VAL A 62 3.485 -9.421 -2.514 1.00 1.00 C ATOM 883 C VAL A 62 4.375 -10.549 -1.957 1.00 1.00 C ATOM 884 O VAL A 62 3.879 -11.426 -1.237 1.00 1.00 O ATOM 885 CB VAL A 62 4.068 -8.008 -2.239 1.00 1.00 C ATOM 886 CG1 VAL A 62 5.160 -7.642 -3.265 1.00 1.00 C ATOM 887 CG2 VAL A 62 3.028 -6.880 -2.291 1.00 1.00 C ATOM 0 H VAL A 62 2.394 -9.988 -0.878 1.00 1.00 H new ATOM 0 HA VAL A 62 3.393 -9.456 -3.600 1.00 1.00 H new ATOM 0 HB VAL A 62 4.466 -8.080 -1.227 1.00 1.00 H new ATOM 0 HG11 VAL A 62 5.547 -6.647 -3.045 1.00 1.00 H new ATOM 0 HG12 VAL A 62 5.971 -8.368 -3.208 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.734 -7.652 -4.268 1.00 1.00 H new ATOM 0 HG21 VAL A 62 3.515 -5.926 -2.088 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.571 -6.851 -3.280 1.00 1.00 H new ATOM 0 HG23 VAL A 62 2.258 -7.060 -1.541 1.00 1.00 H new ATOM 897 N VAL A 63 5.665 -10.600 -2.302 1.00 1.00 N ATOM 898 CA VAL A 63 6.551 -11.571 -1.669 1.00 1.00 C ATOM 899 C VAL A 63 6.522 -11.164 -0.192 1.00 1.00 C ATOM 900 O VAL A 63 6.730 -9.999 0.158 1.00 1.00 O ATOM 901 CB VAL A 63 7.989 -11.560 -2.204 1.00 1.00 C ATOM 902 CG1 VAL A 63 8.678 -12.897 -1.895 1.00 1.00 C ATOM 903 CG2 VAL A 63 8.093 -11.262 -3.710 1.00 1.00 C ATOM 0 H VAL A 63 6.106 -9.997 -2.996 1.00 1.00 H new ATOM 0 HA VAL A 63 6.214 -12.589 -1.866 1.00 1.00 H new ATOM 0 HB VAL A 63 8.493 -10.741 -1.691 1.00 1.00 H new ATOM 0 HG11 VAL A 63 9.698 -12.878 -2.279 1.00 1.00 H new ATOM 0 HG12 VAL A 63 8.699 -13.055 -0.817 1.00 1.00 H new ATOM 0 HG13 VAL A 63 8.127 -13.709 -2.370 1.00 1.00 H new ATOM 0 HG21 VAL A 63 9.140 -11.272 -4.011 1.00 1.00 H new ATOM 0 HG22 VAL A 63 7.547 -12.022 -4.270 1.00 1.00 H new ATOM 0 HG23 VAL A 63 7.665 -10.281 -3.917 1.00 1.00 H new ATOM 913 N ASP A 64 6.229 -12.127 0.663 1.00 1.00 N ATOM 914 CA ASP A 64 6.024 -11.880 2.079 1.00 1.00 C ATOM 915 C ASP A 64 7.286 -12.168 2.868 1.00 1.00 C ATOM 916 O ASP A 64 7.935 -13.195 2.680 1.00 1.00 O ATOM 917 CB ASP A 64 4.867 -12.717 2.636 1.00 1.00 C ATOM 918 CG ASP A 64 4.669 -12.439 4.129 1.00 1.00 C ATOM 919 OD1 ASP A 64 4.956 -11.308 4.596 1.00 1.00 O ATOM 920 OD2 ASP A 64 4.179 -13.312 4.870 1.00 1.00 O ATOM 0 H ASP A 64 6.126 -13.106 0.394 1.00 1.00 H new ATOM 0 HA ASP A 64 5.769 -10.826 2.185 1.00 1.00 H new ATOM 0 HB2 ASP A 64 3.950 -12.486 2.093 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.071 -13.777 2.482 1.00 1.00 H new ATOM 925 N HIS A 65 7.615 -11.258 3.783 1.00 1.00 N ATOM 926 CA HIS A 65 8.695 -11.401 4.728 1.00 1.00 C ATOM 927 C HIS A 65 8.242 -12.585 5.593 1.00 1.00 C ATOM 928 O HIS A 65 8.900 -13.622 5.644 1.00 1.00 O ATOM 929 CB HIS A 65 8.856 -10.100 5.544 1.00 1.00 C ATOM 930 CG HIS A 65 8.643 -8.844 4.735 1.00 1.00 C ATOM 931 ND1 HIS A 65 7.553 -8.012 4.920 1.00 1.00 N ATOM 932 CD2 HIS A 65 9.278 -8.476 3.575 1.00 1.00 C ATOM 933 CE1 HIS A 65 7.533 -7.153 3.889 1.00 1.00 C ATOM 934 NE2 HIS A 65 8.570 -7.402 3.063 1.00 1.00 N ATOM 0 H HIS A 65 7.114 -10.375 3.881 1.00 1.00 H new ATOM 0 HA HIS A 65 9.670 -11.578 4.275 1.00 1.00 H new ATOM 0 HB2 HIS A 65 8.148 -10.112 6.373 1.00 1.00 H new ATOM 0 HB3 HIS A 65 9.855 -10.076 5.979 1.00 1.00 H new ATOM 0 HD1 HIS A 65 6.890 -8.045 5.694 1.00 1.00 H new ATOM 0 HD2 HIS A 65 10.157 -8.934 3.146 1.00 1.00 H new ATOM 0 HE1 HIS A 65 6.796 -6.377 3.742 1.00 1.00 H new ATOM 0 HE2 HIS A 65 8.793 -6.889 2.210 1.00 1.00 H new ATOM 943 N HIS A 66 7.162 -12.358 6.348 1.00 1.00 N ATOM 944 CA HIS A 66 6.321 -13.194 7.200 1.00 1.00 C ATOM 945 C HIS A 66 5.398 -12.169 7.864 1.00 1.00 C ATOM 946 O HIS A 66 5.849 -11.569 8.839 1.00 1.00 O ATOM 947 CB HIS A 66 7.074 -14.124 8.170 1.00 1.00 C ATOM 948 CG HIS A 66 7.145 -15.540 7.629 1.00 1.00 C ATOM 949 ND1 HIS A 66 7.831 -15.934 6.496 1.00 1.00 N ATOM 950 CD2 HIS A 66 6.434 -16.619 8.084 1.00 1.00 C ATOM 951 CE1 HIS A 66 7.546 -17.227 6.261 1.00 1.00 C ATOM 952 NE2 HIS A 66 6.704 -17.669 7.220 1.00 1.00 N ATOM 0 H HIS A 66 6.799 -11.405 6.373 1.00 1.00 H new ATOM 0 HA HIS A 66 5.775 -13.948 6.633 1.00 1.00 H new ATOM 0 HB2 HIS A 66 8.082 -13.744 8.334 1.00 1.00 H new ATOM 0 HB3 HIS A 66 6.573 -14.126 9.138 1.00 1.00 H new ATOM 0 HD1 HIS A 66 8.447 -15.346 5.935 1.00 1.00 H new ATOM 0 HD2 HIS A 66 5.788 -16.646 8.949 1.00 1.00 H new ATOM 0 HE1 HIS A 66 7.928 -17.816 5.440 1.00 1.00 H new ATOM 961 N HIS A 67 4.194 -11.919 7.329 1.00 1.00 N ATOM 962 CA HIS A 67 3.234 -10.883 7.751 1.00 1.00 C ATOM 963 C HIS A 67 3.266 -10.665 9.274 1.00 1.00 C ATOM 964 O HIS A 67 2.650 -11.440 10.013 1.00 1.00 O ATOM 965 CB HIS A 67 1.809 -11.227 7.259 1.00 1.00 C ATOM 966 CG HIS A 67 1.450 -10.822 5.840 1.00 1.00 C ATOM 967 ND1 HIS A 67 2.312 -10.623 4.774 1.00 1.00 N ATOM 968 CD2 HIS A 67 0.207 -10.402 5.443 1.00 1.00 C ATOM 969 CE1 HIS A 67 1.610 -10.080 3.759 1.00 1.00 C ATOM 970 NE2 HIS A 67 0.327 -9.937 4.148 1.00 1.00 N ATOM 0 H HIS A 67 3.841 -12.466 6.543 1.00 1.00 H new ATOM 0 HA HIS A 67 3.533 -9.942 7.289 1.00 1.00 H new ATOM 0 HB2 HIS A 67 1.671 -12.305 7.348 1.00 1.00 H new ATOM 0 HB3 HIS A 67 1.095 -10.757 7.936 1.00 1.00 H new ATOM 0 HD1 HIS A 67 3.307 -10.848 4.759 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -0.697 -10.430 6.033 1.00 1.00 H new ATOM 0 HE1 HIS A 67 2.009 -9.805 2.794 1.00 1.00 H new ATOM 0 HE2 HIS A 67 -0.428 -9.550 3.581 1.00 1.00 H new ATOM 979 N HIS A 68 3.948 -9.627 9.770 1.00 1.00 N ATOM 980 CA HIS A 68 4.169 -9.365 11.197 1.00 1.00 C ATOM 981 C HIS A 68 2.979 -8.647 11.839 1.00 1.00 C ATOM 982 O HIS A 68 3.150 -7.692 12.599 1.00 1.00 O ATOM 983 CB HIS A 68 5.541 -8.696 11.454 1.00 1.00 C ATOM 984 CG HIS A 68 5.852 -7.397 10.734 1.00 1.00 C ATOM 985 ND1 HIS A 68 6.384 -7.302 9.462 1.00 1.00 N ATOM 986 CD2 HIS A 68 5.744 -6.125 11.238 1.00 1.00 C ATOM 987 CE1 HIS A 68 6.583 -5.999 9.195 1.00 1.00 C ATOM 988 NE2 HIS A 68 6.210 -5.262 10.253 1.00 1.00 N ATOM 0 H HIS A 68 4.376 -8.922 9.169 1.00 1.00 H new ATOM 0 HA HIS A 68 4.224 -10.325 11.711 1.00 1.00 H new ATOM 0 HB2 HIS A 68 5.626 -8.512 12.525 1.00 1.00 H new ATOM 0 HB3 HIS A 68 6.317 -9.416 11.192 1.00 1.00 H new ATOM 0 HD1 HIS A 68 6.589 -8.081 8.837 1.00 1.00 H new ATOM 0 HD2 HIS A 68 5.369 -5.848 12.212 1.00 1.00 H new ATOM 0 HE1 HIS A 68 6.982 -5.606 8.271 1.00 1.00 H new ATOM 997 N HIS A 69 1.765 -9.116 11.534 1.00 1.00 N ATOM 998 CA HIS A 69 0.521 -8.651 12.138 1.00 1.00 C ATOM 999 C HIS A 69 0.422 -9.152 13.587 1.00 1.00 C ATOM 1000 O HIS A 69 1.389 -9.627 14.190 1.00 1.00 O ATOM 1001 CB HIS A 69 -0.689 -9.095 11.270 1.00 1.00 C ATOM 1002 CG HIS A 69 -1.216 -10.503 11.511 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -2.363 -10.819 12.226 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -0.601 -11.681 11.175 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -2.403 -12.152 12.378 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -1.360 -12.702 11.726 1.00 1.00 N ATOM 0 H HIS A 69 1.621 -9.850 10.840 1.00 1.00 H new ATOM 0 HA HIS A 69 0.510 -7.562 12.172 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -1.505 -8.392 11.437 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -0.406 -9.011 10.221 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -3.054 -10.155 12.575 1.00 1.00 H new ATOM 0 HD2 HIS A 69 0.302 -11.792 10.593 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -3.152 -12.697 12.934 1.00 1.00 H new ATOM 1015 N HIS A 70 -0.739 -8.966 14.194 1.00 1.00 N ATOM 1016 CA HIS A 70 -1.158 -9.456 15.492 1.00 1.00 C ATOM 1017 C HIS A 70 -2.482 -10.085 15.108 1.00 1.00 C ATOM 1018 O HIS A 70 -3.223 -9.408 14.356 1.00 1.00 O ATOM 1019 CB HIS A 70 -1.303 -8.347 16.538 1.00 1.00 C ATOM 1020 CG HIS A 70 0.010 -7.925 17.156 1.00 1.00 C ATOM 1021 ND1 HIS A 70 1.274 -8.282 16.717 1.00 1.00 N ATOM 1022 CD2 HIS A 70 0.146 -7.171 18.289 1.00 1.00 C ATOM 1023 CE1 HIS A 70 2.166 -7.743 17.573 1.00 1.00 C ATOM 1024 NE2 HIS A 70 1.503 -7.063 18.534 1.00 1.00 N ATOM 1025 OXT HIS A 70 -2.567 -11.317 15.227 1.00 1.00 O ATOM 0 H HIS A 70 -1.476 -8.419 13.749 1.00 1.00 H new ATOM 0 HA HIS A 70 -0.451 -10.129 15.977 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -1.772 -7.480 16.074 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -1.974 -8.688 17.327 1.00 1.00 H new ATOM 0 HD1 HIS A 70 1.491 -8.849 15.897 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -0.652 -6.743 18.878 1.00 1.00 H new ATOM 0 HE1 HIS A 70 3.239 -7.840 17.502 1.00 1.00 H new TER 1034 HIS A 70