USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 245 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 NoAdj-H: A 1 CYS H1 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 1 CYS H2 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 6 GLN : amide:sc= 0.54 K(o=0.54,f=-0.92) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0274 (180deg=-0.307) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -90:sc= 0.467 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 1 (180deg=1) USER MOD Single : A 21 ASN : amide:sc= -0.724 K(o=-0.72,f=-10!) USER MOD Single : A 24 ASN : amide:sc= 0.16 X(o=0.16,f=-0.038) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc=-0.000787 (180deg=-0.0274) USER MOD Single : A 31 THR OG1 : rot 63:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.723 8.454 -3.110 1.00 0.00 N ATOM 2 CA CYS A 1 -2.601 7.028 -2.986 1.00 0.00 C ATOM 3 C CYS A 1 -2.605 6.616 -1.539 1.00 0.00 C ATOM 4 O CYS A 1 -2.383 7.443 -0.648 1.00 0.00 O ATOM 5 CB CYS A 1 -1.367 6.491 -3.714 1.00 0.00 C ATOM 6 SG CYS A 1 -1.525 6.482 -5.528 1.00 0.00 S ATOM 0 H3 CYS A 1 -2.718 8.717 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.471 6.583 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.503 7.095 -3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.169 5.475 -3.371 1.00 0.00 H new ATOM 11 N ARG A 2 -2.899 5.361 -1.315 1.00 0.00 N ATOM 12 CA ARG A 2 -2.986 4.775 0.007 1.00 0.00 C ATOM 13 C ARG A 2 -1.627 4.802 0.707 1.00 0.00 C ATOM 14 O ARG A 2 -0.572 4.811 0.048 1.00 0.00 O ATOM 15 CB ARG A 2 -3.443 3.336 -0.156 1.00 0.00 C ATOM 16 CG ARG A 2 -3.852 2.600 1.107 1.00 0.00 C ATOM 17 CD ARG A 2 -5.076 3.226 1.750 1.00 0.00 C ATOM 18 NE ARG A 2 -5.688 2.319 2.719 1.00 0.00 N ATOM 19 CZ ARG A 2 -6.355 2.671 3.826 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.371 3.931 4.240 1.00 0.00 N ATOM 21 NH2 ARG A 2 -6.988 1.747 4.533 1.00 0.00 N ATOM 0 H ARG A 2 -3.091 4.696 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.688 5.344 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.288 3.324 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.637 2.775 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.059 1.557 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.024 2.607 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.794 4.155 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.803 3.483 0.980 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.598 1.320 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.871 4.647 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.883 4.184 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.966 0.772 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.497 2.010 5.377 1.00 0.00 H new ATOM 35 N ILE A 3 -1.666 4.845 2.022 1.00 0.00 N ATOM 36 CA ILE A 3 -0.470 4.787 2.829 1.00 0.00 C ATOM 37 C ILE A 3 0.209 3.418 2.681 1.00 0.00 C ATOM 38 O ILE A 3 -0.457 2.415 2.398 1.00 0.00 O ATOM 39 CB ILE A 3 -0.784 5.014 4.334 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.854 4.004 4.824 1.00 0.00 C ATOM 41 CG2 ILE A 3 -1.206 6.453 4.584 1.00 0.00 C ATOM 42 CD1 ILE A 3 -2.164 4.069 6.303 1.00 0.00 C ATOM 0 H ILE A 3 -2.529 4.921 2.560 1.00 0.00 H new ATOM 0 HA ILE A 3 0.191 5.579 2.477 1.00 0.00 H new ATOM 0 HB ILE A 3 0.123 4.837 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.775 4.175 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.518 2.996 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.421 6.590 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.401 7.125 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.099 6.677 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.923 3.326 6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.258 3.865 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.535 5.063 6.554 1.00 0.00 H new ATOM 69 N ASN A 5 2.557 0.118 4.234 1.00 0.00 N ATOM 70 CA ASN A 5 2.431 -0.752 5.431 1.00 0.00 C ATOM 71 C ASN A 5 1.019 -1.304 5.580 1.00 0.00 C ATOM 72 O ASN A 5 0.676 -1.901 6.599 1.00 0.00 O ATOM 73 CB ASN A 5 2.921 -0.077 6.748 1.00 0.00 C ATOM 74 CG ASN A 5 4.437 0.086 6.837 1.00 0.00 C ATOM 75 OD1 ASN A 5 5.141 0.216 5.826 1.00 0.00 O ATOM 76 ND2 ASN A 5 4.955 0.088 8.036 1.00 0.00 N ATOM 0 HA ASN A 5 3.105 -1.591 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.455 0.904 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.579 -0.670 7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.962 0.198 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.353 -0.021 8.852 1.00 0.00 H new ATOM 83 N GLN A 6 0.209 -1.101 4.554 1.00 0.00 N ATOM 84 CA GLN A 6 -1.129 -1.663 4.483 1.00 0.00 C ATOM 85 C GLN A 6 -1.074 -3.142 4.220 1.00 0.00 C ATOM 86 O GLN A 6 -0.081 -3.648 3.725 1.00 0.00 O ATOM 87 CB GLN A 6 -1.945 -0.991 3.381 1.00 0.00 C ATOM 88 CG GLN A 6 -2.626 0.278 3.806 1.00 0.00 C ATOM 89 CD GLN A 6 -3.639 0.000 4.884 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.335 0.063 6.078 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.826 -0.372 4.485 1.00 0.00 N ATOM 0 H GLN A 6 0.463 -0.538 3.742 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.609 -1.485 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.288 -0.773 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.699 -1.692 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.885 0.990 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.117 0.739 2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.040 -0.412 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.539 -0.623 5.170 1.00 0.00 H new ATOM 100 N LYS A 7 -2.122 -3.827 4.551 1.00 0.00 N ATOM 101 CA LYS A 7 -2.205 -5.235 4.295 1.00 0.00 C ATOM 102 C LYS A 7 -2.804 -5.455 2.945 1.00 0.00 C ATOM 103 O LYS A 7 -3.958 -5.112 2.702 1.00 0.00 O ATOM 104 CB LYS A 7 -3.022 -5.939 5.370 1.00 0.00 C ATOM 105 CG LYS A 7 -2.389 -5.876 6.749 1.00 0.00 C ATOM 106 CD LYS A 7 -1.053 -6.616 6.801 1.00 0.00 C ATOM 107 CE LYS A 7 -1.237 -8.115 6.627 1.00 0.00 C ATOM 108 NZ LYS A 7 -2.005 -8.693 7.743 1.00 0.00 N ATOM 0 H LYS A 7 -2.944 -3.430 5.006 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.201 -5.660 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.014 -5.490 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.156 -6.983 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.237 -4.834 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.071 -6.308 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.395 -6.236 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.563 -6.417 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.752 -8.314 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.262 -8.598 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.887 -9.726 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.659 -8.301 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.012 -8.460 7.629 1.00 0.00 H new ATOM 122 N CYS A 8 -2.024 -5.980 2.070 1.00 0.00 N ATOM 123 CA CYS A 8 -2.465 -6.213 0.738 1.00 0.00 C ATOM 124 C CYS A 8 -2.095 -7.604 0.294 1.00 0.00 C ATOM 125 O CYS A 8 -1.079 -8.165 0.705 1.00 0.00 O ATOM 126 CB CYS A 8 -1.914 -5.153 -0.221 1.00 0.00 C ATOM 127 SG CYS A 8 -0.101 -5.027 -0.255 1.00 0.00 S ATOM 0 H CYS A 8 -1.061 -6.261 2.255 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.552 -6.133 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.268 -5.375 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.327 -4.183 0.056 1.00 0.00 H new ATOM 132 N PHE A 9 -2.928 -8.158 -0.508 1.00 0.00 N ATOM 133 CA PHE A 9 -2.765 -9.480 -1.017 1.00 0.00 C ATOM 134 C PHE A 9 -2.870 -9.391 -2.523 1.00 0.00 C ATOM 135 O PHE A 9 -2.936 -8.279 -3.055 1.00 0.00 O ATOM 136 CB PHE A 9 -3.845 -10.410 -0.418 1.00 0.00 C ATOM 137 CG PHE A 9 -3.761 -10.562 1.091 1.00 0.00 C ATOM 138 CD1 PHE A 9 -4.432 -9.687 1.940 1.00 0.00 C ATOM 139 CD2 PHE A 9 -3.002 -11.572 1.655 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.343 -9.823 3.311 1.00 0.00 C ATOM 141 CE2 PHE A 9 -2.910 -11.710 3.026 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.578 -10.835 3.853 1.00 0.00 C ATOM 0 H PHE A 9 -3.772 -7.693 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.798 -9.901 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.830 -10.022 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.758 -11.395 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.030 -8.891 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.474 -12.262 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.871 -9.138 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.314 -12.505 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.503 -10.941 4.925 1.00 0.00 H new ATOM 152 N GLN A 10 -2.880 -10.509 -3.212 1.00 0.00 N ATOM 153 CA GLN A 10 -2.977 -10.481 -4.671 1.00 0.00 C ATOM 154 C GLN A 10 -4.334 -9.944 -5.099 1.00 0.00 C ATOM 155 O GLN A 10 -4.429 -9.019 -5.891 1.00 0.00 O ATOM 156 CB GLN A 10 -2.771 -11.870 -5.266 1.00 0.00 C ATOM 157 CG GLN A 10 -1.426 -12.493 -4.950 1.00 0.00 C ATOM 158 CD GLN A 10 -1.250 -13.871 -5.557 1.00 0.00 C ATOM 159 OE1 GLN A 10 -1.808 -14.088 -6.717 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 -0.570 -14.722 -4.990 1.00 0.00 N flip ATOM 0 H GLN A 10 -2.823 -11.441 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.190 -9.824 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.558 -12.529 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.884 -11.809 -6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.635 -11.838 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.309 -12.562 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.149 -14.518 -4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.426 -15.633 -5.425 1.00 0.00 H new ATOM 169 N HIS A 11 -5.375 -10.498 -4.520 1.00 0.00 N ATOM 170 CA HIS A 11 -6.735 -10.106 -4.858 1.00 0.00 C ATOM 171 C HIS A 11 -7.153 -8.892 -4.042 1.00 0.00 C ATOM 172 O HIS A 11 -7.985 -8.081 -4.466 1.00 0.00 O ATOM 173 CB HIS A 11 -7.709 -11.277 -4.626 1.00 0.00 C ATOM 174 CG HIS A 11 -7.388 -12.509 -5.434 1.00 0.00 C ATOM 175 ND1 HIS A 11 -6.768 -13.633 -4.918 1.00 0.00 N ATOM 176 CD2 HIS A 11 -7.616 -12.781 -6.739 1.00 0.00 C ATOM 177 CE1 HIS A 11 -6.636 -14.529 -5.896 1.00 0.00 C ATOM 178 NE2 HIS A 11 -7.138 -14.062 -7.032 1.00 0.00 N ATOM 0 H HIS A 11 -5.311 -11.226 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.767 -9.840 -5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.703 -11.537 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.720 -10.949 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.092 -12.115 -7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.182 -15.502 -5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -7.169 -14.539 -7.933 1.00 0.00 H new ATOM 186 N LEU A 12 -6.563 -8.749 -2.882 1.00 0.00 N ATOM 187 CA LEU A 12 -6.875 -7.638 -2.015 1.00 0.00 C ATOM 188 C LEU A 12 -5.834 -6.554 -2.169 1.00 0.00 C ATOM 189 O LEU A 12 -4.891 -6.468 -1.387 1.00 0.00 O ATOM 190 CB LEU A 12 -7.017 -8.040 -0.522 1.00 0.00 C ATOM 191 CG LEU A 12 -8.206 -8.943 -0.116 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.082 -10.352 -0.678 1.00 0.00 C ATOM 193 CD2 LEU A 12 -8.339 -8.989 1.395 1.00 0.00 C ATOM 0 H LEU A 12 -5.861 -9.391 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.851 -7.265 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.098 -8.546 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.080 -7.124 0.065 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.106 -8.503 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.941 -10.946 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.049 -10.308 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.167 -10.813 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.179 -9.628 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.423 -9.390 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.510 -7.982 1.776 1.00 0.00 H new ATOM 205 N ASP A 13 -5.955 -5.789 -3.215 1.00 0.00 N ATOM 206 CA ASP A 13 -5.034 -4.715 -3.465 1.00 0.00 C ATOM 207 C ASP A 13 -5.595 -3.443 -2.878 1.00 0.00 C ATOM 208 O ASP A 13 -6.753 -3.072 -3.133 1.00 0.00 O ATOM 209 CB ASP A 13 -4.730 -4.554 -4.965 1.00 0.00 C ATOM 210 CG ASP A 13 -5.900 -4.058 -5.798 1.00 0.00 C ATOM 211 OD1 ASP A 13 -6.909 -4.771 -5.918 1.00 0.00 O ATOM 212 OD2 ASP A 13 -5.814 -2.945 -6.367 1.00 0.00 O ATOM 0 H ASP A 13 -6.689 -5.890 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.084 -4.948 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.898 -3.859 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.401 -5.515 -5.361 1.00 0.00 H new ATOM 217 N ASP A 14 -4.812 -2.798 -2.061 1.00 0.00 N ATOM 218 CA ASP A 14 -5.279 -1.606 -1.380 1.00 0.00 C ATOM 219 C ASP A 14 -4.457 -0.381 -1.774 1.00 0.00 C ATOM 220 O ASP A 14 -4.697 0.706 -1.304 1.00 0.00 O ATOM 221 CB ASP A 14 -5.256 -1.832 0.150 1.00 0.00 C ATOM 222 CG ASP A 14 -6.014 -0.772 0.934 1.00 0.00 C ATOM 223 OD1 ASP A 14 -7.222 -0.570 0.665 1.00 0.00 O ATOM 224 OD2 ASP A 14 -5.457 -0.181 1.872 1.00 0.00 O ATOM 0 H ASP A 14 -3.852 -3.068 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.307 -1.411 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.683 -2.810 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.221 -1.852 0.490 1.00 0.00 H new ATOM 229 N CYS A 15 -3.525 -0.551 -2.687 1.00 0.00 N ATOM 230 CA CYS A 15 -2.648 0.553 -3.071 1.00 0.00 C ATOM 231 C CYS A 15 -2.586 0.695 -4.589 1.00 0.00 C ATOM 232 O CYS A 15 -2.683 -0.301 -5.297 1.00 0.00 O ATOM 233 CB CYS A 15 -1.246 0.318 -2.528 1.00 0.00 C ATOM 234 SG CYS A 15 -1.155 0.059 -0.738 1.00 0.00 S ATOM 0 H CYS A 15 -3.350 -1.429 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.055 1.472 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.819 -0.551 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.623 1.174 -2.789 1.00 0.00 H new ATOM 239 N CYS A 16 -2.382 1.933 -5.073 1.00 0.00 N ATOM 240 CA CYS A 16 -2.326 2.263 -6.517 1.00 0.00 C ATOM 241 C CYS A 16 -1.348 1.374 -7.279 1.00 0.00 C ATOM 242 O CYS A 16 -1.668 0.827 -8.325 1.00 0.00 O ATOM 243 CB CYS A 16 -1.883 3.721 -6.725 1.00 0.00 C ATOM 244 SG CYS A 16 -2.867 4.987 -5.867 1.00 0.00 S ATOM 0 H CYS A 16 -2.249 2.745 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.333 2.102 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.847 3.814 -6.401 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.903 3.937 -7.793 1.00 0.00 H new ATOM 249 N SER A 17 -0.163 1.198 -6.738 1.00 0.00 N ATOM 250 CA SER A 17 0.847 0.441 -7.434 1.00 0.00 C ATOM 251 C SER A 17 0.702 -1.062 -7.195 1.00 0.00 C ATOM 252 O SER A 17 1.431 -1.852 -7.782 1.00 0.00 O ATOM 253 CB SER A 17 2.228 0.940 -7.034 1.00 0.00 C ATOM 254 OG SER A 17 2.308 2.354 -7.202 1.00 0.00 O ATOM 0 H SER A 17 0.121 1.565 -5.829 1.00 0.00 H new ATOM 0 HA SER A 17 0.714 0.595 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.431 0.678 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.990 0.451 -7.641 1.00 0.00 H new ATOM 0 HG SER A 17 2.623 2.559 -8.107 1.00 0.00 H new ATOM 260 N ARG A 18 -0.272 -1.438 -6.334 1.00 0.00 N ATOM 261 CA ARG A 18 -0.567 -2.841 -5.972 1.00 0.00 C ATOM 262 C ARG A 18 0.682 -3.603 -5.524 1.00 0.00 C ATOM 263 O ARG A 18 0.758 -4.821 -5.634 1.00 0.00 O ATOM 264 CB ARG A 18 -1.249 -3.537 -7.143 1.00 0.00 C ATOM 265 CG ARG A 18 -2.597 -2.942 -7.485 1.00 0.00 C ATOM 266 CD ARG A 18 -3.230 -3.637 -8.660 1.00 0.00 C ATOM 267 NE ARG A 18 -4.635 -3.239 -8.825 1.00 0.00 N ATOM 268 CZ ARG A 18 -5.263 -3.076 -9.994 1.00 0.00 C ATOM 269 NH1 ARG A 18 -4.579 -3.145 -11.135 1.00 0.00 N ATOM 270 NH2 ARG A 18 -6.580 -2.833 -10.020 1.00 0.00 N ATOM 0 H ARG A 18 -0.881 -0.767 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.242 -2.834 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.601 -3.481 -8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.375 -4.594 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.257 -3.015 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.481 -1.882 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.674 -3.400 -9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.170 -4.717 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.176 -3.073 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.575 -3.322 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.060 -3.020 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.105 -2.772 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.058 -2.709 -10.912 1.00 0.00 H new ATOM 284 N LYS A 19 1.619 -2.879 -4.964 1.00 0.00 N ATOM 285 CA LYS A 19 2.877 -3.443 -4.564 1.00 0.00 C ATOM 286 C LYS A 19 2.851 -3.836 -3.122 1.00 0.00 C ATOM 287 O LYS A 19 2.529 -3.046 -2.231 1.00 0.00 O ATOM 288 CB LYS A 19 4.024 -2.487 -4.860 1.00 0.00 C ATOM 289 CG LYS A 19 3.853 -1.145 -4.225 1.00 0.00 C ATOM 290 CD LYS A 19 4.820 -0.105 -4.784 1.00 0.00 C ATOM 291 CE LYS A 19 6.281 -0.442 -4.514 1.00 0.00 C ATOM 292 NZ LYS A 19 7.169 0.574 -5.076 1.00 0.00 N ATOM 0 H LYS A 19 1.528 -1.881 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 19 3.044 -4.347 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.957 -2.930 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.115 -2.362 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.829 -0.803 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.003 -1.234 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.667 -0.016 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.591 0.867 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.447 -0.520 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.518 -1.415 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.158 0.319 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.026 0.630 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.956 1.497 -4.646 1.00 0.00 H new ATOM 306 N CYS A 20 3.187 -5.030 -2.918 1.00 0.00 N ATOM 307 CA CYS A 20 3.215 -5.627 -1.620 1.00 0.00 C ATOM 308 C CYS A 20 4.574 -6.262 -1.420 1.00 0.00 C ATOM 309 O CYS A 20 5.170 -6.782 -2.376 1.00 0.00 O ATOM 310 CB CYS A 20 2.110 -6.690 -1.518 1.00 0.00 C ATOM 311 SG CYS A 20 0.428 -6.075 -1.909 1.00 0.00 S ATOM 0 H CYS A 20 3.466 -5.665 -3.666 1.00 0.00 H new ATOM 0 HA CYS A 20 3.042 -4.875 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.349 -7.511 -2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.108 -7.099 -0.508 1.00 0.00 H new ATOM 316 N ASN A 21 5.102 -6.170 -0.227 1.00 0.00 N ATOM 317 CA ASN A 21 6.372 -6.789 0.089 1.00 0.00 C ATOM 318 C ASN A 21 6.156 -8.267 0.418 1.00 0.00 C ATOM 319 O ASN A 21 5.014 -8.757 0.362 1.00 0.00 O ATOM 320 CB ASN A 21 7.122 -6.038 1.226 1.00 0.00 C ATOM 321 CG ASN A 21 6.446 -6.040 2.602 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.717 -6.966 2.978 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.697 -5.013 3.364 1.00 0.00 N ATOM 0 H ASN A 21 4.671 -5.669 0.550 1.00 0.00 H new ATOM 0 HA ASN A 21 7.017 -6.722 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.113 -6.479 1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.265 -5.003 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.288 -4.958 4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.302 -4.264 3.027 1.00 0.00 H new ATOM 330 N ARG A 22 7.216 -8.969 0.801 1.00 0.00 N ATOM 331 CA ARG A 22 7.142 -10.419 1.043 1.00 0.00 C ATOM 332 C ARG A 22 6.250 -10.784 2.244 1.00 0.00 C ATOM 333 O ARG A 22 5.925 -11.948 2.446 1.00 0.00 O ATOM 334 CB ARG A 22 8.531 -11.013 1.253 1.00 0.00 C ATOM 335 CG ARG A 22 9.169 -10.671 2.588 1.00 0.00 C ATOM 336 CD ARG A 22 10.542 -11.277 2.698 1.00 0.00 C ATOM 337 NE ARG A 22 10.520 -12.736 2.536 1.00 0.00 N ATOM 338 CZ ARG A 22 11.607 -13.503 2.440 1.00 0.00 C ATOM 339 NH1 ARG A 22 12.815 -12.968 2.594 1.00 0.00 N ATOM 340 NH2 ARG A 22 11.480 -14.807 2.201 1.00 0.00 N ATOM 0 H ARG A 22 8.140 -8.565 0.953 1.00 0.00 H new ATOM 0 HA ARG A 22 6.688 -10.845 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.466 -12.097 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.185 -10.666 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.235 -9.589 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.540 -11.036 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.192 -10.839 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.970 -11.028 3.669 1.00 0.00 H new ATOM 0 HE ARG A 22 9.610 -13.195 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.910 -11.971 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.646 -13.555 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.553 -15.218 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.310 -15.395 2.127 1.00 0.00 H new ATOM 354 N PHE A 23 5.862 -9.798 3.028 1.00 0.00 N ATOM 355 CA PHE A 23 5.059 -10.040 4.205 1.00 0.00 C ATOM 356 C PHE A 23 3.619 -9.623 3.974 1.00 0.00 C ATOM 357 O PHE A 23 2.807 -9.694 4.889 1.00 0.00 O ATOM 358 CB PHE A 23 5.620 -9.279 5.409 1.00 0.00 C ATOM 359 CG PHE A 23 7.032 -9.639 5.751 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.341 -10.909 6.192 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.049 -8.711 5.625 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.635 -11.251 6.503 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.348 -9.046 5.937 1.00 0.00 C ATOM 364 CZ PHE A 23 9.643 -10.318 6.378 1.00 0.00 C ATOM 0 H PHE A 23 6.092 -8.817 2.868 1.00 0.00 H new ATOM 0 HA PHE A 23 5.090 -11.110 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.567 -8.209 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.987 -9.471 6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.556 -11.644 6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.823 -7.713 5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.863 -12.250 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.135 -8.313 5.836 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.660 -10.583 6.625 1.00 0.00 H new ATOM 374 N ASN A 24 3.316 -9.198 2.741 1.00 0.00 N ATOM 375 CA ASN A 24 1.969 -8.716 2.344 1.00 0.00 C ATOM 376 C ASN A 24 1.683 -7.320 2.847 1.00 0.00 C ATOM 377 O ASN A 24 0.527 -6.902 2.962 1.00 0.00 O ATOM 378 CB ASN A 24 0.820 -9.688 2.701 1.00 0.00 C ATOM 379 CG ASN A 24 0.768 -10.888 1.790 1.00 0.00 C ATOM 380 OD1 ASN A 24 1.361 -11.937 2.073 1.00 0.00 O ATOM 381 ND2 ASN A 24 0.067 -10.752 0.696 1.00 0.00 N ATOM 0 H ASN A 24 3.995 -9.175 1.981 1.00 0.00 H new ATOM 0 HA ASN A 24 2.002 -8.678 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.941 -10.024 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.130 -9.156 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.007 -11.528 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.407 -9.870 0.500 1.00 0.00 H new ATOM 388 N LYS A 25 2.731 -6.588 3.127 1.00 0.00 N ATOM 389 CA LYS A 25 2.591 -5.208 3.468 1.00 0.00 C ATOM 390 C LYS A 25 2.829 -4.367 2.243 1.00 0.00 C ATOM 391 O LYS A 25 3.779 -4.604 1.501 1.00 0.00 O ATOM 392 CB LYS A 25 3.522 -4.786 4.584 1.00 0.00 C ATOM 393 CG LYS A 25 3.130 -5.303 5.949 1.00 0.00 C ATOM 394 CD LYS A 25 4.060 -4.738 6.986 1.00 0.00 C ATOM 395 CE LYS A 25 3.672 -5.135 8.406 1.00 0.00 C ATOM 396 NZ LYS A 25 3.699 -6.591 8.617 1.00 0.00 N ATOM 0 H LYS A 25 3.691 -6.932 3.124 1.00 0.00 H new ATOM 0 HA LYS A 25 1.576 -5.058 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.529 -5.133 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.560 -3.697 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.102 -5.020 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.172 -6.392 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.075 -5.080 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.068 -3.651 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.352 -4.657 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.672 -4.759 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.510 -6.800 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.971 -7.041 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.635 -6.962 8.356 1.00 0.00 H new ATOM 410 N CYS A 26 1.947 -3.457 2.007 1.00 0.00 N ATOM 411 CA CYS A 26 2.022 -2.555 0.883 1.00 0.00 C ATOM 412 C CYS A 26 3.253 -1.690 0.975 1.00 0.00 C ATOM 413 O CYS A 26 3.539 -1.104 2.035 1.00 0.00 O ATOM 414 CB CYS A 26 0.772 -1.676 0.836 1.00 0.00 C ATOM 415 SG CYS A 26 0.789 -0.415 -0.475 1.00 0.00 S ATOM 0 H CYS A 26 1.129 -3.307 2.598 1.00 0.00 H new ATOM 0 HA CYS A 26 2.082 -3.146 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.101 -2.314 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.655 -1.180 1.799 1.00 0.00 H new ATOM 420 N VAL A 27 3.990 -1.609 -0.099 1.00 0.00 N ATOM 421 CA VAL A 27 5.147 -0.777 -0.117 1.00 0.00 C ATOM 422 C VAL A 27 4.857 0.511 -0.860 1.00 0.00 C ATOM 423 O VAL A 27 3.837 0.601 -1.540 1.00 0.00 O ATOM 424 CB VAL A 27 6.442 -1.508 -0.579 1.00 0.00 C ATOM 425 CG1 VAL A 27 7.018 -2.274 0.591 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.155 -2.502 -1.685 1.00 0.00 C ATOM 0 H VAL A 27 3.805 -2.110 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 27 5.375 -0.507 0.914 1.00 0.00 H new ATOM 0 HB VAL A 27 7.138 -0.755 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.926 -2.790 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.255 -1.581 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.289 -3.004 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.082 -2.993 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.447 -3.249 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.730 -1.980 -2.542 1.00 0.00 H new ATOM 436 N LEU A 28 5.740 1.486 -0.737 1.00 0.00 N ATOM 437 CA LEU A 28 5.477 2.857 -1.204 1.00 0.00 C ATOM 438 C LEU A 28 5.160 2.935 -2.696 1.00 0.00 C ATOM 439 O LEU A 28 6.015 2.628 -3.537 1.00 0.00 O ATOM 440 CB LEU A 28 6.620 3.839 -0.851 1.00 0.00 C ATOM 441 CG LEU A 28 6.918 4.096 0.647 1.00 0.00 C ATOM 442 CD1 LEU A 28 7.569 2.899 1.336 1.00 0.00 C ATOM 443 CD2 LEU A 28 7.767 5.338 0.814 1.00 0.00 C ATOM 0 H LEU A 28 6.660 1.362 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 28 4.584 3.166 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.534 3.469 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.392 4.798 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 28 5.957 4.252 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.754 3.138 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.905 2.037 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.514 2.666 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.966 5.503 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.710 5.208 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.237 6.199 0.406 1.00 0.00 H new ATOM 455 N PRO A 29 3.915 3.327 -3.033 1.00 0.00 N ATOM 456 CA PRO A 29 3.462 3.457 -4.411 1.00 0.00 C ATOM 457 C PRO A 29 4.042 4.687 -5.104 1.00 0.00 C ATOM 458 O PRO A 29 4.505 5.635 -4.446 1.00 0.00 O ATOM 459 CB PRO A 29 1.938 3.601 -4.268 1.00 0.00 C ATOM 460 CG PRO A 29 1.747 4.211 -2.931 1.00 0.00 C ATOM 461 CD PRO A 29 2.844 3.659 -2.073 1.00 0.00 C ATOM 0 HA PRO A 29 3.776 2.611 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.523 4.231 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.440 2.634 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.802 5.298 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.768 3.961 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.180 4.389 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.515 2.778 -1.522 1.00 0.00 H new ATOM 469 N GLU A 30 3.967 4.681 -6.429 1.00 0.00 N ATOM 470 CA GLU A 30 4.478 5.766 -7.262 1.00 0.00 C ATOM 471 C GLU A 30 3.722 7.068 -6.946 1.00 0.00 C ATOM 472 O GLU A 30 4.274 8.166 -7.038 1.00 0.00 O ATOM 473 CB GLU A 30 4.325 5.386 -8.741 1.00 0.00 C ATOM 474 CG GLU A 30 5.005 6.329 -9.715 1.00 0.00 C ATOM 475 CD GLU A 30 4.788 5.918 -11.146 1.00 0.00 C ATOM 476 OE1 GLU A 30 5.467 4.973 -11.627 1.00 0.00 O ATOM 477 OE2 GLU A 30 3.941 6.526 -11.829 1.00 0.00 O ATOM 0 H GLU A 30 3.547 3.919 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 30 5.535 5.928 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.727 4.384 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.263 5.342 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.624 7.339 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.074 6.358 -9.505 1.00 0.00 H new ATOM 484 N THR A 31 2.460 6.900 -6.564 1.00 0.00 N ATOM 485 CA THR A 31 1.574 7.955 -6.130 1.00 0.00 C ATOM 486 C THR A 31 1.068 8.810 -7.289 1.00 0.00 C ATOM 487 O THR A 31 1.805 9.598 -7.883 1.00 0.00 O ATOM 488 CB THR A 31 2.192 8.833 -5.017 1.00 0.00 C ATOM 489 OG1 THR A 31 2.644 7.982 -3.943 1.00 0.00 O ATOM 490 CG2 THR A 31 1.159 9.818 -4.471 1.00 0.00 C ATOM 0 H THR A 31 2.015 5.982 -6.551 1.00 0.00 H new ATOM 0 HA THR A 31 0.709 7.451 -5.699 1.00 0.00 H new ATOM 0 HB THR A 31 3.027 9.395 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.351 7.388 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.614 10.426 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.811 10.464 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.314 9.267 -4.057 1.00 0.00 H new ATOM 498 N GLY A 32 -0.186 8.623 -7.606 1.00 0.00 N ATOM 499 CA GLY A 32 -0.831 9.403 -8.628 1.00 0.00 C ATOM 500 C GLY A 32 -1.691 10.461 -7.999 1.00 0.00 C ATOM 501 O GLY A 32 -2.923 10.410 -8.078 1.00 0.00 O ATOM 0 H GLY A 32 -0.787 7.928 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.082 9.866 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.439 8.757 -9.261 1.00 0.00 H new ATOM 505 N GLY A 33 -1.046 11.390 -7.332 1.00 0.00 N ATOM 506 CA GLY A 33 -1.748 12.435 -6.633 1.00 0.00 C ATOM 507 C GLY A 33 -2.152 11.974 -5.260 1.00 0.00 C ATOM 508 O GLY A 33 -1.588 12.413 -4.249 1.00 0.00 O ATOM 0 H GLY A 33 -0.030 11.441 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.113 13.317 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.632 12.728 -7.199 1.00 0.00 H new ATOM 512 N GLY A 34 -3.086 11.064 -5.224 1.00 0.00 N ATOM 513 CA GLY A 34 -3.546 10.515 -3.994 1.00 0.00 C ATOM 514 C GLY A 34 -3.475 9.013 -4.015 1.00 0.00 C ATOM 515 O GLY A 34 -4.069 8.372 -4.885 1.00 0.00 O ATOM 0 H GLY A 34 -3.546 10.686 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.943 10.900 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.573 10.832 -3.812 1.00 0.00 H new