USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 502 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 26 ASN : amide:sc= -1.01 K(o=-1.1,f=-2.3) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -121:sc= -0.0516 (180deg=-0.0128) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.758 K(o=1.8,f=-0.96) USER MOD Set 2.2: A 24 TYR OH : rot -106:sc= 1.03 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 1 GLN N :NH3+ -151:sc= -1.27 (180deg=-3.09!) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0199) USER MOD Single : A 12 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.8) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.22) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.0099 (180deg=-0.163) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.183 K(o=0.18,f=-0.93) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.119 (180deg=0.119) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.018) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00161 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.0917 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.549 -2.710 -10.262 1.00 0.00 N ATOM 2 CA GLN A 1 -13.142 -2.502 -8.926 1.00 0.00 C ATOM 3 C GLN A 1 -13.137 -3.751 -8.016 1.00 0.00 C ATOM 4 O GLN A 1 -12.982 -3.557 -6.811 1.00 0.00 O ATOM 5 CB GLN A 1 -14.565 -1.921 -9.020 1.00 0.00 C ATOM 6 CG GLN A 1 -14.577 -0.519 -9.655 1.00 0.00 C ATOM 7 CD GLN A 1 -15.944 0.172 -9.582 1.00 0.00 C ATOM 8 OE1 GLN A 1 -16.911 -0.378 -9.057 1.00 0.00 O ATOM 9 NE2 GLN A 1 -16.025 1.398 -10.106 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.145 -1.815 -10.606 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.799 -3.428 -10.201 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.285 -3.033 -10.922 1.00 0.00 H new ATOM 0 HA GLN A 1 -12.484 -1.777 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -15.191 -2.591 -9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -15.002 -1.871 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -13.836 0.105 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.274 -0.599 -10.699 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -15.203 1.825 -10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -16.908 1.907 -10.078 1.00 0.00 H new ATOM 20 N PRO A 2 -13.315 -5.004 -8.501 1.00 0.00 N ATOM 21 CA PRO A 2 -13.314 -6.211 -7.667 1.00 0.00 C ATOM 22 C PRO A 2 -12.144 -6.248 -6.669 1.00 0.00 C ATOM 23 O PRO A 2 -10.981 -6.302 -7.069 1.00 0.00 O ATOM 24 CB PRO A 2 -13.281 -7.392 -8.644 1.00 0.00 C ATOM 25 CG PRO A 2 -14.068 -6.843 -9.831 1.00 0.00 C ATOM 26 CD PRO A 2 -13.620 -5.380 -9.876 1.00 0.00 C ATOM 0 HA PRO A 2 -14.201 -6.243 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.263 -7.665 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.746 -8.283 -8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.829 -7.369 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.144 -6.934 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.745 -5.261 -10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.405 -4.745 -10.288 1.00 0.00 H new ATOM 34 N LEU A 3 -12.472 -6.201 -5.369 1.00 0.00 N ATOM 35 CA LEU A 3 -11.526 -6.200 -4.257 1.00 0.00 C ATOM 36 C LEU A 3 -10.678 -7.478 -4.184 1.00 0.00 C ATOM 37 O LEU A 3 -11.089 -8.539 -4.655 1.00 0.00 O ATOM 38 CB LEU A 3 -12.273 -5.942 -2.931 1.00 0.00 C ATOM 39 CG LEU A 3 -13.131 -7.089 -2.356 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.808 -6.600 -1.065 1.00 0.00 C ATOM 41 CD2 LEU A 3 -14.201 -7.633 -3.316 1.00 0.00 C ATOM 0 H LEU A 3 -13.443 -6.161 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.820 -5.389 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.535 -5.666 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.921 -5.077 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.449 -7.919 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.418 -7.401 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.046 -6.310 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.441 -5.741 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.754 -8.435 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.888 -6.831 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.721 -8.019 -4.215 1.00 0.00 H new ATOM 53 N ARG A 4 -9.484 -7.353 -3.584 1.00 0.00 N ATOM 54 CA ARG A 4 -8.524 -8.438 -3.408 1.00 0.00 C ATOM 55 C ARG A 4 -7.783 -8.324 -2.076 1.00 0.00 C ATOM 56 O ARG A 4 -7.585 -7.229 -1.544 1.00 0.00 O ATOM 57 CB ARG A 4 -7.560 -8.494 -4.606 1.00 0.00 C ATOM 58 CG ARG A 4 -6.668 -7.249 -4.729 1.00 0.00 C ATOM 59 CD ARG A 4 -5.773 -7.300 -5.974 1.00 0.00 C ATOM 60 NE ARG A 4 -4.850 -8.445 -5.936 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.972 -8.778 -6.899 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.857 -8.049 -8.020 1.00 0.00 N ATOM 63 NH2 ARG A 4 -3.196 -9.859 -6.733 1.00 0.00 N ATOM 0 H ARG A 4 -9.157 -6.467 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.071 -9.380 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.928 -9.377 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.138 -8.610 -5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.294 -6.358 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.045 -7.161 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.395 -7.364 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.202 -6.375 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.878 -9.038 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.442 -7.224 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.184 -8.320 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.275 -10.418 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.526 -10.122 -7.456 1.00 0.00 H new ATOM 77 N LYS A 5 -7.370 -9.489 -1.553 1.00 0.00 N ATOM 78 CA LYS A 5 -6.647 -9.618 -0.294 1.00 0.00 C ATOM 79 C LYS A 5 -5.250 -9.003 -0.333 1.00 0.00 C ATOM 80 O LYS A 5 -4.628 -8.881 0.719 1.00 0.00 O ATOM 81 CB LYS A 5 -6.614 -11.093 0.149 1.00 0.00 C ATOM 82 CG LYS A 5 -5.788 -11.988 -0.790 1.00 0.00 C ATOM 83 CD LYS A 5 -5.786 -13.443 -0.297 1.00 0.00 C ATOM 84 CE LYS A 5 -4.913 -14.351 -1.176 1.00 0.00 C ATOM 85 NZ LYS A 5 -5.437 -14.476 -2.548 1.00 0.00 N ATOM 0 H LYS A 5 -7.537 -10.385 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.193 -9.040 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.201 -11.154 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.634 -11.474 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.199 -11.942 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.765 -11.617 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.423 -13.476 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.808 -13.823 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.899 -13.952 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.850 -15.340 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.853 -15.151 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.419 -14.818 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.409 -13.548 -3.016 1.00 0.00 H new ATOM 99 N LEU A 6 -4.753 -8.616 -1.518 1.00 0.00 N ATOM 100 CA LEU A 6 -3.458 -7.959 -1.652 1.00 0.00 C ATOM 101 C LEU A 6 -3.465 -6.639 -0.885 1.00 0.00 C ATOM 102 O LEU A 6 -2.423 -6.221 -0.382 1.00 0.00 O ATOM 103 CB LEU A 6 -3.118 -7.706 -3.127 1.00 0.00 C ATOM 104 CG LEU A 6 -1.695 -7.171 -3.377 1.00 0.00 C ATOM 105 CD1 LEU A 6 -0.633 -8.178 -2.907 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.526 -6.863 -4.872 1.00 0.00 C ATOM 0 H LEU A 6 -5.241 -8.752 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.695 -8.617 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.244 -8.637 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.836 -6.994 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.555 -6.257 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.361 -7.773 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.753 -8.362 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.753 -9.114 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.520 -6.484 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.681 -7.774 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.257 -6.113 -5.174 1.00 0.00 H new ATOM 118 N CYS A 7 -4.648 -6.011 -0.789 1.00 0.00 N ATOM 119 CA CYS A 7 -4.802 -4.743 -0.071 1.00 0.00 C ATOM 120 C CYS A 7 -5.305 -4.986 1.365 1.00 0.00 C ATOM 121 O CYS A 7 -6.016 -4.155 1.926 1.00 0.00 O ATOM 122 CB CYS A 7 -5.685 -3.761 -0.858 1.00 0.00 C ATOM 123 SG CYS A 7 -5.421 -2.050 -0.298 1.00 0.00 S ATOM 0 H CYS A 7 -5.511 -6.365 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.824 -4.270 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.460 -3.838 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.734 -4.030 -0.733 1.00 0.00 H new ATOM 128 N ILE A 8 -4.910 -6.122 1.961 1.00 0.00 N ATOM 129 CA ILE A 8 -5.248 -6.564 3.315 1.00 0.00 C ATOM 130 C ILE A 8 -4.000 -7.147 4.019 1.00 0.00 C ATOM 131 O ILE A 8 -4.022 -7.308 5.239 1.00 0.00 O ATOM 132 CB ILE A 8 -6.412 -7.595 3.253 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.688 -7.025 2.586 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.787 -8.139 4.646 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.401 -5.918 3.377 1.00 0.00 C ATOM 0 H ILE A 8 -4.311 -6.793 1.479 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.583 -5.711 3.905 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.029 -8.409 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.422 -6.634 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.390 -7.843 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.604 -8.854 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.922 -8.633 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.101 -7.315 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.281 -5.586 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.706 -6.304 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.723 -5.077 3.517 1.00 0.00 H new ATOM 147 N LEU A 9 -2.897 -7.420 3.293 1.00 0.00 N ATOM 148 CA LEU A 9 -1.667 -8.001 3.839 1.00 0.00 C ATOM 149 C LEU A 9 -0.797 -7.001 4.623 1.00 0.00 C ATOM 150 O LEU A 9 0.309 -7.374 5.014 1.00 0.00 O ATOM 151 CB LEU A 9 -0.821 -8.595 2.691 1.00 0.00 C ATOM 152 CG LEU A 9 -1.567 -9.484 1.681 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.573 -10.085 0.676 1.00 0.00 C ATOM 154 CD2 LEU A 9 -2.372 -10.606 2.356 1.00 0.00 C ATOM 0 H LEU A 9 -2.842 -7.237 2.291 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.985 -8.769 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.359 -7.772 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.013 -9.180 3.130 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.282 -8.845 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.110 -10.713 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.066 -9.282 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.163 -10.687 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.877 -11.200 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.698 -11.245 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.113 -10.170 3.026 1.00 0.00 H new ATOM 166 N HIS A 10 -1.262 -5.758 4.850 1.00 0.00 N ATOM 167 CA HIS A 10 -0.550 -4.689 5.555 1.00 0.00 C ATOM 168 C HIS A 10 0.610 -4.167 4.684 1.00 0.00 C ATOM 169 O HIS A 10 1.084 -4.859 3.779 1.00 0.00 O ATOM 170 CB HIS A 10 -0.073 -5.159 6.948 1.00 0.00 C ATOM 171 CG HIS A 10 0.347 -4.042 7.874 1.00 0.00 C ATOM 172 ND1 HIS A 10 -0.541 -3.037 8.255 1.00 0.00 N ATOM 173 CD2 HIS A 10 1.556 -3.814 8.478 1.00 0.00 C ATOM 174 CE1 HIS A 10 0.164 -2.244 9.067 1.00 0.00 C ATOM 175 NE2 HIS A 10 1.425 -2.671 9.239 1.00 0.00 N ATOM 0 H HIS A 10 -2.185 -5.464 4.531 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.236 -3.860 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.876 -5.725 7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.766 -5.843 6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.446 -4.417 8.377 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.237 -1.356 9.534 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.144 -2.236 9.818 1.00 0.00 H new ATOM 183 N ARG A 11 1.080 -2.938 4.947 1.00 0.00 N ATOM 184 CA ARG A 11 2.163 -2.316 4.200 1.00 0.00 C ATOM 185 C ARG A 11 3.489 -3.071 4.403 1.00 0.00 C ATOM 186 O ARG A 11 3.645 -3.831 5.361 1.00 0.00 O ATOM 187 CB ARG A 11 2.227 -0.821 4.574 1.00 0.00 C ATOM 188 CG ARG A 11 3.259 -0.360 5.606 1.00 0.00 C ATOM 189 CD ARG A 11 2.954 -0.915 7.003 1.00 0.00 C ATOM 190 NE ARG A 11 3.834 -0.334 8.026 1.00 0.00 N ATOM 191 CZ ARG A 11 3.662 0.857 8.631 1.00 0.00 C ATOM 192 NH1 ARG A 11 2.626 1.655 8.326 1.00 0.00 N ATOM 193 NH2 ARG A 11 4.545 1.254 9.557 1.00 0.00 N ATOM 0 H ARG A 11 0.709 -2.350 5.693 1.00 0.00 H new ATOM 0 HA ARG A 11 1.971 -2.378 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.404 -0.259 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.242 -0.531 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.253 -0.683 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.275 0.729 5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.915 -0.707 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.070 -1.999 6.997 1.00 0.00 H new ATOM 0 HE ARG A 11 4.649 -0.882 8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.948 1.364 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.517 2.553 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.336 0.657 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.426 2.154 10.022 1.00 0.00 H new ATOM 207 N ASN A 12 4.442 -2.870 3.483 1.00 0.00 N ATOM 208 CA ASN A 12 5.748 -3.521 3.515 1.00 0.00 C ATOM 209 C ASN A 12 6.772 -2.630 2.789 1.00 0.00 C ATOM 210 O ASN A 12 6.970 -2.791 1.584 1.00 0.00 O ATOM 211 CB ASN A 12 5.637 -4.946 2.914 1.00 0.00 C ATOM 212 CG ASN A 12 5.274 -4.974 1.425 1.00 0.00 C ATOM 213 OD1 ASN A 12 4.230 -4.460 1.031 1.00 0.00 O ATOM 214 ND2 ASN A 12 6.148 -5.547 0.592 1.00 0.00 N ATOM 0 H ASN A 12 4.321 -2.242 2.688 1.00 0.00 H new ATOM 0 HA ASN A 12 6.098 -3.644 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.587 -5.462 3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.885 -5.505 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.959 -5.568 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.004 -5.963 0.958 1.00 0.00 H new ATOM 221 N PRO A 13 7.429 -1.667 3.471 1.00 0.00 N ATOM 222 CA PRO A 13 8.425 -0.813 2.837 1.00 0.00 C ATOM 223 C PRO A 13 9.577 -1.666 2.307 1.00 0.00 C ATOM 224 O PRO A 13 9.934 -1.587 1.135 1.00 0.00 O ATOM 225 CB PRO A 13 8.855 0.224 3.884 1.00 0.00 C ATOM 226 CG PRO A 13 8.501 -0.442 5.215 1.00 0.00 C ATOM 227 CD PRO A 13 7.267 -1.276 4.862 1.00 0.00 C ATOM 0 HA PRO A 13 8.030 -0.285 1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.920 0.444 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.326 1.168 3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.316 -1.063 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.284 0.293 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.191 -2.152 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.353 -0.698 5.000 1.00 0.00 H new ATOM 235 N GLY A 14 10.089 -2.510 3.203 1.00 0.00 N ATOM 236 CA GLY A 14 11.165 -3.469 3.015 1.00 0.00 C ATOM 237 C GLY A 14 12.558 -2.839 3.102 1.00 0.00 C ATOM 238 O GLY A 14 12.732 -1.644 2.871 1.00 0.00 O ATOM 0 H GLY A 14 9.728 -2.538 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.080 -4.252 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.050 -3.948 2.043 1.00 0.00 H new ATOM 242 N ARG A 15 13.537 -3.650 3.520 1.00 0.00 N ATOM 243 CA ARG A 15 14.948 -3.284 3.638 1.00 0.00 C ATOM 244 C ARG A 15 15.675 -3.630 2.327 1.00 0.00 C ATOM 245 O ARG A 15 15.888 -4.819 2.082 1.00 0.00 O ATOM 246 CB ARG A 15 15.578 -4.009 4.842 1.00 0.00 C ATOM 247 CG ARG A 15 14.945 -3.567 6.174 1.00 0.00 C ATOM 248 CD ARG A 15 15.609 -4.246 7.381 1.00 0.00 C ATOM 249 NE ARG A 15 17.009 -3.827 7.546 1.00 0.00 N ATOM 250 CZ ARG A 15 17.849 -4.261 8.503 1.00 0.00 C ATOM 251 NH1 ARG A 15 17.456 -5.159 9.421 1.00 0.00 N ATOM 252 NH2 ARG A 15 19.103 -3.787 8.542 1.00 0.00 N ATOM 0 H ARG A 15 13.358 -4.616 3.795 1.00 0.00 H new ATOM 0 HA ARG A 15 15.042 -2.212 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.456 -5.085 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.649 -3.810 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.031 -2.485 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.881 -3.803 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.050 -4.006 8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.566 -5.328 7.257 1.00 0.00 H new ATOM 0 HE ARG A 15 17.375 -3.149 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.504 -5.525 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 15 18.109 -5.475 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 15 19.412 -3.104 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.748 -4.109 9.263 1.00 0.00 H new ATOM 266 N CYS A 16 16.059 -2.650 1.484 1.00 0.00 N ATOM 267 CA CYS A 16 16.779 -2.959 0.234 1.00 0.00 C ATOM 268 C CYS A 16 17.732 -1.830 -0.171 1.00 0.00 C ATOM 269 O CYS A 16 18.883 -2.107 -0.504 1.00 0.00 O ATOM 270 CB CYS A 16 15.792 -3.326 -0.888 1.00 0.00 C ATOM 271 SG CYS A 16 16.424 -4.275 -2.298 1.00 0.00 S ATOM 0 H CYS A 16 15.887 -1.657 1.642 1.00 0.00 H new ATOM 0 HA CYS A 16 17.405 -3.833 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.975 -3.894 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.364 -2.400 -1.273 1.00 0.00 H new ATOM 276 N TYR A 17 17.222 -0.592 -0.129 1.00 0.00 N ATOM 277 CA TYR A 17 17.839 0.718 -0.431 1.00 0.00 C ATOM 278 C TYR A 17 17.009 1.525 -1.455 1.00 0.00 C ATOM 279 O TYR A 17 17.280 2.713 -1.634 1.00 0.00 O ATOM 280 CB TYR A 17 19.298 0.605 -0.946 1.00 0.00 C ATOM 281 CG TYR A 17 20.408 0.374 0.079 1.00 0.00 C ATOM 282 CD1 TYR A 17 20.131 0.084 1.438 1.00 0.00 C ATOM 283 CD2 TYR A 17 21.754 0.434 -0.353 1.00 0.00 C ATOM 284 CE1 TYR A 17 21.187 -0.135 2.349 1.00 0.00 C ATOM 285 CE2 TYR A 17 22.809 0.215 0.558 1.00 0.00 C ATOM 286 CZ TYR A 17 22.526 -0.069 1.911 1.00 0.00 C ATOM 287 OH TYR A 17 23.543 -0.281 2.797 1.00 0.00 O ATOM 0 H TYR A 17 16.250 -0.464 0.151 1.00 0.00 H new ATOM 0 HA TYR A 17 17.856 1.245 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.335 -0.212 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.531 1.521 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.107 0.030 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.976 0.649 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.969 -0.354 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.833 0.265 0.220 1.00 0.00 H new ATOM 0 HH TYR A 17 24.403 -0.201 2.334 1.00 0.00 H new ATOM 297 N GLN A 18 16.013 0.917 -2.123 1.00 0.00 N ATOM 298 CA GLN A 18 15.146 1.550 -3.125 1.00 0.00 C ATOM 299 C GLN A 18 14.257 2.641 -2.492 1.00 0.00 C ATOM 300 O GLN A 18 14.429 3.009 -1.331 1.00 0.00 O ATOM 301 CB GLN A 18 14.388 0.411 -3.844 1.00 0.00 C ATOM 302 CG GLN A 18 13.709 0.746 -5.190 1.00 0.00 C ATOM 303 CD GLN A 18 14.622 1.503 -6.158 1.00 0.00 C ATOM 304 OE1 GLN A 18 15.590 0.941 -6.668 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.320 2.779 -6.417 1.00 0.00 N ATOM 0 H GLN A 18 15.784 -0.065 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 18 15.715 2.101 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.090 -0.405 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.622 0.035 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.378 -0.179 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.817 1.344 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.509 3.211 -5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.901 3.321 -7.057 1.00 0.00 H new ATOM 314 N LYS A 19 13.350 3.224 -3.282 1.00 0.00 N ATOM 315 CA LYS A 19 12.421 4.254 -2.951 1.00 0.00 C ATOM 316 C LYS A 19 11.352 4.144 -4.058 1.00 0.00 C ATOM 317 O LYS A 19 11.648 4.094 -5.254 1.00 0.00 O ATOM 318 CB LYS A 19 13.075 5.630 -3.017 1.00 0.00 C ATOM 319 CG LYS A 19 12.366 6.722 -2.218 1.00 0.00 C ATOM 320 CD LYS A 19 12.737 6.634 -0.731 1.00 0.00 C ATOM 321 CE LYS A 19 12.493 7.958 0.008 1.00 0.00 C ATOM 322 NZ LYS A 19 13.441 9.010 -0.399 1.00 0.00 N ATOM 0 H LYS A 19 13.257 2.943 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 19 12.027 4.143 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.100 5.546 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.128 5.941 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.640 7.702 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.287 6.623 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.153 5.844 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.786 6.355 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.475 8.296 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.577 7.793 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.411 9.790 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.403 8.616 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.179 9.368 -1.340 1.00 0.00 H new ATOM 336 N ILE A 20 10.124 4.109 -3.602 1.00 0.00 N ATOM 337 CA ILE A 20 8.869 4.051 -4.359 1.00 0.00 C ATOM 338 C ILE A 20 7.820 4.749 -3.485 1.00 0.00 C ATOM 339 O ILE A 20 6.930 4.085 -2.957 1.00 0.00 O ATOM 340 CB ILE A 20 8.424 2.599 -4.732 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.454 1.726 -5.479 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.145 2.641 -5.596 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.737 2.094 -6.936 1.00 0.00 C ATOM 0 H ILE A 20 9.947 4.121 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 20 8.997 4.544 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 20 8.275 2.128 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.395 1.764 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.109 0.692 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.844 1.625 -5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.345 3.128 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.342 3.200 -6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.476 1.407 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.816 2.025 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.121 3.113 -6.986 1.00 0.00 H new ATOM 355 N PRO A 21 7.868 6.081 -3.292 1.00 0.00 N ATOM 356 CA PRO A 21 6.877 6.726 -2.461 1.00 0.00 C ATOM 357 C PRO A 21 5.517 6.666 -3.143 1.00 0.00 C ATOM 358 O PRO A 21 5.384 6.946 -4.336 1.00 0.00 O ATOM 359 CB PRO A 21 7.324 8.144 -2.190 1.00 0.00 C ATOM 360 CG PRO A 21 8.662 8.286 -2.936 1.00 0.00 C ATOM 361 CD PRO A 21 8.740 7.078 -3.882 1.00 0.00 C ATOM 0 HA PRO A 21 6.777 6.213 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.591 8.865 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.446 8.322 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.703 9.222 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.500 8.293 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.413 7.343 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.762 6.708 -3.966 1.00 0.00 H new ATOM 369 N ALA A 22 4.523 6.294 -2.342 1.00 0.00 N ATOM 370 CA ALA A 22 3.145 6.153 -2.825 1.00 0.00 C ATOM 371 C ALA A 22 2.150 6.224 -1.660 1.00 0.00 C ATOM 372 O ALA A 22 2.309 7.080 -0.791 1.00 0.00 O ATOM 373 CB ALA A 22 3.059 4.847 -3.641 1.00 0.00 C ATOM 0 H ALA A 22 4.643 6.083 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 22 2.870 6.979 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.043 4.717 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.750 4.898 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.323 4.002 -3.005 1.00 0.00 H new ATOM 379 N PHE A 23 1.108 5.373 -1.661 1.00 0.00 N ATOM 380 CA PHE A 23 0.087 5.288 -0.617 1.00 0.00 C ATOM 381 C PHE A 23 -0.214 3.814 -0.298 1.00 0.00 C ATOM 382 O PHE A 23 0.074 2.907 -1.076 1.00 0.00 O ATOM 383 CB PHE A 23 -1.244 5.923 -1.053 1.00 0.00 C ATOM 384 CG PHE A 23 -1.218 7.383 -1.466 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.651 7.768 -2.698 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.766 8.368 -0.614 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.484 9.136 -3.002 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.597 9.736 -0.912 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.946 10.120 -2.103 1.00 0.00 C ATOM 0 H PHE A 23 0.954 4.706 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 23 0.484 5.821 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.636 5.343 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.953 5.818 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.344 7.016 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.316 8.073 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.002 9.430 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.965 10.488 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.801 11.167 -2.326 1.00 0.00 H new ATOM 399 N TYR A 24 -0.847 3.607 0.856 1.00 0.00 N ATOM 400 CA TYR A 24 -1.277 2.324 1.403 1.00 0.00 C ATOM 401 C TYR A 24 -2.548 2.566 2.230 1.00 0.00 C ATOM 402 O TYR A 24 -2.634 3.548 2.967 1.00 0.00 O ATOM 403 CB TYR A 24 -0.128 1.668 2.202 1.00 0.00 C ATOM 404 CG TYR A 24 -0.528 0.924 3.466 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.602 1.594 4.708 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.850 -0.445 3.399 1.00 0.00 C ATOM 407 CE1 TYR A 24 -1.080 0.914 5.849 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.444 -1.089 4.503 1.00 0.00 C ATOM 409 CZ TYR A 24 -1.564 -0.407 5.732 1.00 0.00 C ATOM 410 OH TYR A 24 -2.159 -1.020 6.796 1.00 0.00 O ATOM 0 H TYR A 24 -1.088 4.383 1.473 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.521 1.614 0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.392 0.971 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.587 2.444 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.293 2.626 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.641 -1.004 2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.075 1.404 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.806 -2.102 4.408 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.546 -1.684 7.176 1.00 0.00 H new ATOM 420 N TYR A 25 -3.484 1.605 2.185 1.00 0.00 N ATOM 421 CA TYR A 25 -4.774 1.671 2.867 1.00 0.00 C ATOM 422 C TYR A 25 -4.561 1.352 4.338 1.00 0.00 C ATOM 423 O TYR A 25 -4.302 0.191 4.656 1.00 0.00 O ATOM 424 CB TYR A 25 -5.744 0.653 2.219 1.00 0.00 C ATOM 425 CG TYR A 25 -6.991 0.261 3.014 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.608 1.174 3.899 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.530 -1.041 2.883 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.685 0.759 4.709 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.671 -1.422 3.618 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.228 -0.533 4.562 1.00 0.00 C ATOM 431 OH TYR A 25 -10.294 -0.915 5.324 1.00 0.00 O ATOM 0 H TYR A 25 -3.356 0.741 1.658 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.207 2.667 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.070 1.061 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.183 -0.256 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.254 2.193 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.063 -1.749 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.095 1.434 5.445 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.118 -2.392 3.459 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.545 -1.835 5.097 1.00 0.00 H new ATOM 441 N ASN A 26 -4.700 2.355 5.237 1.00 0.00 N ATOM 442 CA ASN A 26 -4.511 2.048 6.648 1.00 0.00 C ATOM 443 C ASN A 26 -5.789 1.389 7.167 1.00 0.00 C ATOM 444 O ASN A 26 -6.848 2.018 7.215 1.00 0.00 O ATOM 445 CB ASN A 26 -4.185 3.320 7.431 1.00 0.00 C ATOM 446 CG ASN A 26 -2.695 3.657 7.313 1.00 0.00 C ATOM 447 OD1 ASN A 26 -2.208 3.944 6.223 1.00 0.00 O ATOM 448 ND2 ASN A 26 -1.956 3.595 8.424 1.00 0.00 N ATOM 0 H ASN A 26 -4.929 3.324 5.017 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.671 1.365 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.782 4.150 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.452 3.187 8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.956 3.789 8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.392 3.354 9.314 1.00 0.00 H new ATOM 455 N GLN A 27 -5.661 0.113 7.561 1.00 0.00 N ATOM 456 CA GLN A 27 -6.735 -0.730 8.070 1.00 0.00 C ATOM 457 C GLN A 27 -7.008 -0.476 9.565 1.00 0.00 C ATOM 458 O GLN A 27 -7.171 -1.407 10.353 1.00 0.00 O ATOM 459 CB GLN A 27 -6.365 -2.204 7.807 1.00 0.00 C ATOM 460 CG GLN A 27 -5.997 -2.488 6.341 1.00 0.00 C ATOM 461 CD GLN A 27 -5.662 -3.966 6.131 1.00 0.00 C ATOM 462 OE1 GLN A 27 -6.557 -4.808 6.135 1.00 0.00 O ATOM 463 NE2 GLN A 27 -4.376 -4.290 5.956 1.00 0.00 N ATOM 0 H GLN A 27 -4.765 -0.373 7.529 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.660 -0.484 7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.525 -2.480 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.204 -2.838 8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.827 -2.205 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.144 -1.874 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.662 -3.562 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.110 -5.265 5.820 1.00 0.00 H new ATOM 472 N LYS A 28 -7.055 0.808 9.932 1.00 0.00 N ATOM 473 CA LYS A 28 -7.343 1.364 11.259 1.00 0.00 C ATOM 474 C LYS A 28 -8.337 2.515 11.052 1.00 0.00 C ATOM 475 O LYS A 28 -9.275 2.720 11.822 1.00 0.00 O ATOM 476 CB LYS A 28 -6.054 1.787 11.997 1.00 0.00 C ATOM 477 CG LYS A 28 -5.497 3.160 11.581 1.00 0.00 C ATOM 478 CD LYS A 28 -4.160 3.471 12.269 1.00 0.00 C ATOM 479 CE LYS A 28 -3.764 4.948 12.111 1.00 0.00 C ATOM 480 NZ LYS A 28 -3.609 5.344 10.701 1.00 0.00 N ATOM 0 H LYS A 28 -6.878 1.548 9.252 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.789 0.614 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.253 1.800 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.288 1.031 11.824 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.362 3.184 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.222 3.936 11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.231 3.226 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.379 2.839 11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.522 5.576 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.828 5.128 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.642 5.692 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.787 4.523 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.289 6.098 10.475 1.00 0.00 H new ATOM 494 N LYS A 29 -8.085 3.235 9.959 1.00 0.00 N ATOM 495 CA LYS A 29 -8.771 4.345 9.370 1.00 0.00 C ATOM 496 C LYS A 29 -9.797 3.775 8.438 1.00 0.00 C ATOM 497 O LYS A 29 -10.711 3.082 8.891 1.00 0.00 O ATOM 498 CB LYS A 29 -7.688 5.251 8.743 1.00 0.00 C ATOM 499 CG LYS A 29 -8.164 6.588 8.135 1.00 0.00 C ATOM 500 CD LYS A 29 -8.830 7.541 9.144 1.00 0.00 C ATOM 501 CE LYS A 29 -7.963 7.868 10.371 1.00 0.00 C ATOM 502 NZ LYS A 29 -6.649 8.423 10.000 1.00 0.00 N ATOM 0 H LYS A 29 -7.267 3.001 9.396 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.325 4.982 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.945 5.472 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.182 4.684 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.310 7.094 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.870 6.378 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.084 8.471 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.766 7.097 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.490 8.582 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.818 6.963 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.103 8.627 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.133 7.733 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.783 9.301 9.459 1.00 0.00 H new ATOM 516 N LYS A 30 -9.617 4.045 7.152 1.00 0.00 N ATOM 517 CA LYS A 30 -10.582 3.705 6.142 1.00 0.00 C ATOM 518 C LYS A 30 -10.160 4.254 4.762 1.00 0.00 C ATOM 519 O LYS A 30 -11.029 4.407 3.901 1.00 0.00 O ATOM 520 CB LYS A 30 -11.927 4.321 6.589 1.00 0.00 C ATOM 521 CG LYS A 30 -11.799 5.806 6.896 1.00 0.00 C ATOM 522 CD LYS A 30 -13.110 6.498 7.306 1.00 0.00 C ATOM 523 CE LYS A 30 -13.787 5.892 8.546 1.00 0.00 C ATOM 524 NZ LYS A 30 -12.891 5.858 9.717 1.00 0.00 N ATOM 0 H LYS A 30 -8.786 4.511 6.788 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.663 2.623 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.671 4.175 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.289 3.798 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.071 5.935 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.398 6.311 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.906 7.552 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.807 6.455 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.677 6.472 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.119 4.879 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.404 5.473 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.069 5.256 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.567 6.822 9.934 1.00 0.00 H new ATOM 538 N GLN A 31 -8.863 4.547 4.516 1.00 0.00 N ATOM 539 CA GLN A 31 -8.425 5.143 3.253 1.00 0.00 C ATOM 540 C GLN A 31 -6.909 4.997 3.071 1.00 0.00 C ATOM 541 O GLN A 31 -6.184 4.620 4.000 1.00 0.00 O ATOM 542 CB GLN A 31 -8.861 6.630 3.267 1.00 0.00 C ATOM 543 CG GLN A 31 -8.549 7.421 1.987 1.00 0.00 C ATOM 544 CD GLN A 31 -9.301 8.754 1.938 1.00 0.00 C ATOM 545 OE1 GLN A 31 -10.204 8.934 1.124 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.926 9.697 2.807 1.00 0.00 N ATOM 0 H GLN A 31 -8.109 4.377 5.181 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.883 4.630 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.935 6.674 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.375 7.126 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.477 7.607 1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.816 6.822 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.172 9.511 3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.394 10.603 2.809 1.00 0.00 H new ATOM 555 N CYS A 32 -6.435 5.307 1.852 1.00 0.00 N ATOM 556 CA CYS A 32 -5.048 5.239 1.474 1.00 0.00 C ATOM 557 C CYS A 32 -4.328 6.468 1.979 1.00 0.00 C ATOM 558 O CYS A 32 -4.510 7.575 1.472 1.00 0.00 O ATOM 559 CB CYS A 32 -4.909 5.121 -0.040 1.00 0.00 C ATOM 560 SG CYS A 32 -3.785 3.854 -0.673 1.00 0.00 S ATOM 0 H CYS A 32 -7.040 5.619 1.093 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.600 4.352 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.899 4.932 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.580 6.086 -0.425 1.00 0.00 H new ATOM 565 N GLU A 33 -3.538 6.252 3.023 1.00 0.00 N ATOM 566 CA GLU A 33 -2.700 7.228 3.626 1.00 0.00 C ATOM 567 C GLU A 33 -1.379 7.062 2.874 1.00 0.00 C ATOM 568 O GLU A 33 -1.001 5.952 2.494 1.00 0.00 O ATOM 569 CB GLU A 33 -2.571 6.903 5.101 1.00 0.00 C ATOM 570 CG GLU A 33 -3.874 6.527 5.825 1.00 0.00 C ATOM 571 CD GLU A 33 -3.762 6.628 7.355 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.619 6.690 7.862 1.00 0.00 O ATOM 573 OE2 GLU A 33 -4.830 6.640 8.004 1.00 0.00 O ATOM 0 H GLU A 33 -3.476 5.342 3.479 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.065 8.254 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.867 6.078 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.134 7.765 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.676 7.180 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.154 5.509 5.553 1.00 0.00 H new ATOM 580 N GLY A 34 -0.652 8.153 2.678 1.00 0.00 N ATOM 581 CA GLY A 34 0.595 8.075 1.926 1.00 0.00 C ATOM 582 C GLY A 34 1.660 7.313 2.706 1.00 0.00 C ATOM 583 O GLY A 34 1.704 7.436 3.932 1.00 0.00 O ATOM 0 H GLY A 34 -0.895 9.083 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.417 7.581 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.953 9.080 1.704 1.00 0.00 H new ATOM 587 N PHE A 35 2.506 6.523 2.022 1.00 0.00 N ATOM 588 CA PHE A 35 3.529 5.770 2.733 1.00 0.00 C ATOM 589 C PHE A 35 4.762 5.725 1.811 1.00 0.00 C ATOM 590 O PHE A 35 4.626 5.640 0.586 1.00 0.00 O ATOM 591 CB PHE A 35 3.018 4.348 3.080 1.00 0.00 C ATOM 592 CG PHE A 35 3.099 3.214 2.066 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.743 3.379 0.715 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.608 1.966 2.498 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.901 2.313 -0.194 1.00 0.00 C ATOM 596 CE2 PHE A 35 3.753 0.894 1.595 1.00 0.00 C ATOM 597 CZ PHE A 35 3.387 1.065 0.245 1.00 0.00 C ATOM 0 H PHE A 35 2.497 6.397 1.010 1.00 0.00 H new ATOM 0 HA PHE A 35 3.784 6.242 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.561 4.022 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.971 4.446 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.348 4.324 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.889 1.834 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.648 2.454 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.143 -0.054 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.478 0.243 -0.450 1.00 0.00 H new ATOM 607 N THR A 36 5.971 5.807 2.384 1.00 0.00 N ATOM 608 CA THR A 36 7.203 5.757 1.601 1.00 0.00 C ATOM 609 C THR A 36 7.680 4.308 1.576 1.00 0.00 C ATOM 610 O THR A 36 8.008 3.758 2.629 1.00 0.00 O ATOM 611 CB THR A 36 8.292 6.686 2.164 1.00 0.00 C ATOM 612 OG1 THR A 36 7.814 8.016 2.226 1.00 0.00 O ATOM 613 CG2 THR A 36 9.526 6.637 1.242 1.00 0.00 C ATOM 0 H THR A 36 6.117 5.908 3.388 1.00 0.00 H new ATOM 0 HA THR A 36 7.001 6.112 0.591 1.00 0.00 H new ATOM 0 HB THR A 36 8.559 6.354 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.514 8.599 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.301 7.294 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.905 5.616 1.195 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.246 6.966 0.241 1.00 0.00 H new ATOM 621 N TRP A 37 7.718 3.693 0.384 1.00 0.00 N ATOM 622 CA TRP A 37 8.188 2.309 0.244 1.00 0.00 C ATOM 623 C TRP A 37 9.681 2.419 -0.092 1.00 0.00 C ATOM 624 O TRP A 37 10.043 3.287 -0.885 1.00 0.00 O ATOM 625 CB TRP A 37 7.314 1.630 -0.816 1.00 0.00 C ATOM 626 CG TRP A 37 7.555 0.234 -1.306 1.00 0.00 C ATOM 627 CD1 TRP A 37 6.696 -0.800 -1.157 1.00 0.00 C ATOM 628 CD2 TRP A 37 8.634 -0.270 -2.149 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.045 -1.818 -2.020 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.200 -1.511 -2.710 1.00 0.00 C ATOM 631 CE3 TRP A 37 9.869 0.242 -2.616 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.898 -2.133 -3.763 1.00 0.00 C ATOM 633 CZ3 TRP A 37 10.644 -0.467 -3.552 1.00 0.00 C ATOM 634 CH2 TRP A 37 10.134 -1.617 -4.177 1.00 0.00 C ATOM 0 H TRP A 37 7.430 4.130 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 37 8.098 1.686 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.293 1.651 -0.434 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.339 2.274 -1.695 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.865 -0.825 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.518 -2.684 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 37 10.222 1.194 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.483 -3.003 -4.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.640 -0.124 -3.792 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.689 -2.099 -4.969 1.00 0.00 H new ATOM 645 N SER A 38 10.558 1.596 0.511 1.00 0.00 N ATOM 646 CA SER A 38 12.007 1.672 0.266 1.00 0.00 C ATOM 647 C SER A 38 12.683 0.302 0.367 1.00 0.00 C ATOM 648 O SER A 38 13.707 0.180 1.043 1.00 0.00 O ATOM 649 CB SER A 38 12.648 2.629 1.298 1.00 0.00 C ATOM 650 OG SER A 38 12.006 3.884 1.360 1.00 0.00 O ATOM 0 H SER A 38 10.286 0.869 1.173 1.00 0.00 H new ATOM 0 HA SER A 38 12.152 2.042 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.620 2.164 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.698 2.776 1.045 1.00 0.00 H new ATOM 0 HG SER A 38 12.451 4.446 2.028 1.00 0.00 H new ATOM 656 N GLY A 39 12.169 -0.718 -0.335 1.00 0.00 N ATOM 657 CA GLY A 39 12.736 -2.052 -0.234 1.00 0.00 C ATOM 658 C GLY A 39 12.540 -2.975 -1.428 1.00 0.00 C ATOM 659 O GLY A 39 12.422 -2.552 -2.574 1.00 0.00 O ATOM 0 H GLY A 39 11.373 -0.638 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.806 -1.953 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.308 -2.537 0.644 1.00 0.00 H new ATOM 663 N CYS A 40 12.560 -4.270 -1.098 1.00 0.00 N ATOM 664 CA CYS A 40 12.393 -5.435 -1.951 1.00 0.00 C ATOM 665 C CYS A 40 11.681 -6.486 -1.070 1.00 0.00 C ATOM 666 O CYS A 40 12.104 -7.640 -0.999 1.00 0.00 O ATOM 667 CB CYS A 40 13.777 -5.897 -2.465 1.00 0.00 C ATOM 668 SG CYS A 40 14.742 -4.664 -3.411 1.00 0.00 S ATOM 0 H CYS A 40 12.709 -4.548 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 40 11.799 -5.243 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.372 -6.213 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.633 -6.775 -3.095 1.00 0.00 H new ATOM 673 N GLY A 41 10.597 -6.061 -0.391 1.00 0.00 N ATOM 674 CA GLY A 41 9.794 -6.846 0.540 1.00 0.00 C ATOM 675 C GLY A 41 8.886 -7.906 -0.100 1.00 0.00 C ATOM 676 O GLY A 41 8.950 -8.165 -1.302 1.00 0.00 O ATOM 0 H GLY A 41 10.248 -5.108 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.465 -7.343 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.173 -6.164 1.121 1.00 0.00 H new ATOM 680 N GLY A 42 8.033 -8.514 0.740 1.00 0.00 N ATOM 681 CA GLY A 42 7.110 -9.587 0.389 1.00 0.00 C ATOM 682 C GLY A 42 5.760 -9.166 -0.202 1.00 0.00 C ATOM 683 O GLY A 42 5.461 -9.535 -1.338 1.00 0.00 O ATOM 0 H GLY A 42 7.971 -8.254 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.606 -10.242 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.920 -10.179 1.284 1.00 0.00 H new ATOM 687 N ASN A 43 4.935 -8.421 0.555 1.00 0.00 N ATOM 688 CA ASN A 43 3.593 -8.001 0.124 1.00 0.00 C ATOM 689 C ASN A 43 3.650 -6.834 -0.883 1.00 0.00 C ATOM 690 O ASN A 43 4.628 -6.683 -1.616 1.00 0.00 O ATOM 691 CB ASN A 43 2.732 -7.650 1.363 1.00 0.00 C ATOM 692 CG ASN A 43 2.838 -8.655 2.517 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.139 -8.276 3.647 1.00 0.00 O ATOM 694 ND2 ASN A 43 2.589 -9.937 2.237 1.00 0.00 N ATOM 0 H ASN A 43 5.184 -8.092 1.488 1.00 0.00 H new ATOM 0 HA ASN A 43 3.124 -8.833 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.026 -6.666 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.689 -7.577 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.646 -10.640 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.342 -10.213 1.287 1.00 0.00 H new ATOM 701 N SER A 44 2.585 -6.017 -0.930 1.00 0.00 N ATOM 702 CA SER A 44 2.468 -4.855 -1.797 1.00 0.00 C ATOM 703 C SER A 44 1.645 -3.787 -1.069 1.00 0.00 C ATOM 704 O SER A 44 2.210 -2.932 -0.386 1.00 0.00 O ATOM 705 CB SER A 44 1.844 -5.256 -3.148 1.00 0.00 C ATOM 706 OG SER A 44 1.803 -4.151 -4.028 1.00 0.00 O ATOM 0 H SER A 44 1.762 -6.160 -0.344 1.00 0.00 H new ATOM 0 HA SER A 44 3.452 -4.442 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.424 -6.063 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.836 -5.638 -2.989 1.00 0.00 H new ATOM 0 HG SER A 44 1.405 -4.426 -4.880 1.00 0.00 H new ATOM 712 N ASN A 45 0.313 -3.851 -1.225 1.00 0.00 N ATOM 713 CA ASN A 45 -0.680 -2.922 -0.656 1.00 0.00 C ATOM 714 C ASN A 45 -0.304 -1.452 -0.966 1.00 0.00 C ATOM 715 O ASN A 45 -0.648 -0.526 -0.239 1.00 0.00 O ATOM 716 CB ASN A 45 -0.902 -3.360 0.816 1.00 0.00 C ATOM 717 CG ASN A 45 -2.182 -2.925 1.554 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.704 -3.700 2.355 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.696 -1.710 1.352 1.00 0.00 N ATOM 0 H ASN A 45 -0.124 -4.588 -1.779 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.666 -2.969 -1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.865 -4.449 0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.053 -2.999 1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.528 -1.417 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.256 -1.075 0.686 1.00 0.00 H new ATOM 726 N ARG A 46 0.436 -1.285 -2.075 1.00 0.00 N ATOM 727 CA ARG A 46 0.973 -0.095 -2.707 1.00 0.00 C ATOM 728 C ARG A 46 -0.002 0.450 -3.756 1.00 0.00 C ATOM 729 O ARG A 46 -0.406 -0.299 -4.647 1.00 0.00 O ATOM 730 CB ARG A 46 2.314 -0.521 -3.325 1.00 0.00 C ATOM 731 CG ARG A 46 3.174 0.634 -3.868 1.00 0.00 C ATOM 732 CD ARG A 46 2.862 0.994 -5.328 1.00 0.00 C ATOM 733 NE ARG A 46 3.634 2.168 -5.759 1.00 0.00 N ATOM 734 CZ ARG A 46 3.740 2.618 -7.023 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.177 1.958 -8.047 1.00 0.00 N ATOM 736 NH2 ARG A 46 4.419 3.748 -7.264 1.00 0.00 N ATOM 0 H ARG A 46 0.701 -2.108 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 46 1.120 0.717 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.889 -1.060 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.117 -1.221 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.022 1.515 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.227 0.363 -3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.093 0.146 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.796 1.196 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 46 4.133 2.687 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.657 1.098 -7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.270 2.317 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.850 4.259 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.505 4.098 -8.218 1.00 0.00 H new ATOM 750 N PHE A 47 -0.347 1.745 -3.696 1.00 0.00 N ATOM 751 CA PHE A 47 -1.249 2.415 -4.601 1.00 0.00 C ATOM 752 C PHE A 47 -0.762 3.848 -4.858 1.00 0.00 C ATOM 753 O PHE A 47 -0.365 4.543 -3.927 1.00 0.00 O ATOM 754 CB PHE A 47 -2.621 2.350 -3.945 1.00 0.00 C ATOM 755 CG PHE A 47 -3.305 1.009 -4.171 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.961 0.748 -5.397 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.222 -0.007 -3.191 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.535 -0.519 -5.636 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.735 -1.293 -3.462 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.414 -1.542 -4.673 1.00 0.00 C ATOM 0 H PHE A 47 0.020 2.368 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.294 1.945 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.518 2.527 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.249 3.148 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.023 1.519 -6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.766 0.202 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.067 -0.705 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.608 -2.087 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.841 -2.516 -4.863 1.00 0.00 H new ATOM 770 N LYS A 48 -0.811 4.284 -6.127 1.00 0.00 N ATOM 771 CA LYS A 48 -0.380 5.579 -6.624 1.00 0.00 C ATOM 772 C LYS A 48 -1.304 6.725 -6.208 1.00 0.00 C ATOM 773 O LYS A 48 -0.795 7.768 -5.801 1.00 0.00 O ATOM 774 CB LYS A 48 -0.258 5.475 -8.145 1.00 0.00 C ATOM 775 CG LYS A 48 1.115 4.876 -8.477 1.00 0.00 C ATOM 776 CD LYS A 48 1.264 4.537 -9.955 1.00 0.00 C ATOM 777 CE LYS A 48 1.209 5.770 -10.868 1.00 0.00 C ATOM 778 NZ LYS A 48 1.467 5.412 -12.273 1.00 0.00 N ATOM 0 H LYS A 48 -1.179 3.694 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 48 0.583 5.826 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.053 4.848 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.364 6.458 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.894 5.582 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.267 3.974 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.212 4.021 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.474 3.844 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.230 6.242 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.945 6.503 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.423 6.267 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.411 4.984 -12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.750 4.732 -12.595 1.00 0.00 H new ATOM 792 N THR A 49 -2.630 6.573 -6.358 1.00 0.00 N ATOM 793 CA THR A 49 -3.601 7.598 -5.955 1.00 0.00 C ATOM 794 C THR A 49 -4.598 6.965 -4.976 1.00 0.00 C ATOM 795 O THR A 49 -4.823 5.754 -4.985 1.00 0.00 O ATOM 796 CB THR A 49 -4.271 8.308 -7.155 1.00 0.00 C ATOM 797 OG1 THR A 49 -5.339 7.550 -7.674 1.00 0.00 O ATOM 798 CG2 THR A 49 -3.283 8.602 -8.296 1.00 0.00 C ATOM 0 H THR A 49 -3.056 5.738 -6.761 1.00 0.00 H new ATOM 0 HA THR A 49 -3.078 8.406 -5.444 1.00 0.00 H new ATOM 0 HB THR A 49 -4.644 9.254 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.427 7.723 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.807 9.101 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.485 9.247 -7.929 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.856 7.667 -8.657 1.00 0.00 H new ATOM 806 N ILE A 50 -5.201 7.808 -4.131 1.00 0.00 N ATOM 807 CA ILE A 50 -6.150 7.423 -3.089 1.00 0.00 C ATOM 808 C ILE A 50 -7.460 6.842 -3.635 1.00 0.00 C ATOM 809 O ILE A 50 -8.100 6.024 -2.973 1.00 0.00 O ATOM 810 CB ILE A 50 -6.412 8.645 -2.167 1.00 0.00 C ATOM 811 CG1 ILE A 50 -5.086 9.222 -1.615 1.00 0.00 C ATOM 812 CG2 ILE A 50 -7.329 8.251 -0.995 1.00 0.00 C ATOM 813 CD1 ILE A 50 -5.270 10.444 -0.703 1.00 0.00 C ATOM 0 H ILE A 50 -5.033 8.814 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.700 6.613 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.903 9.411 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.565 8.442 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.445 9.499 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.501 9.120 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.282 7.891 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.854 7.463 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.296 10.790 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.762 11.242 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.883 10.169 0.155 1.00 0.00 H new ATOM 825 N GLU A 51 -7.839 7.218 -4.857 1.00 0.00 N ATOM 826 CA GLU A 51 -9.077 6.776 -5.486 1.00 0.00 C ATOM 827 C GLU A 51 -8.900 5.346 -5.935 1.00 0.00 C ATOM 828 O GLU A 51 -9.651 4.460 -5.551 1.00 0.00 O ATOM 829 CB GLU A 51 -9.440 7.721 -6.644 1.00 0.00 C ATOM 830 CG GLU A 51 -9.493 9.182 -6.177 1.00 0.00 C ATOM 831 CD GLU A 51 -10.208 10.077 -7.191 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.559 10.424 -8.202 1.00 0.00 O ATOM 833 OE2 GLU A 51 -11.392 10.392 -6.945 1.00 0.00 O ATOM 0 H GLU A 51 -7.286 7.845 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.908 6.810 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.706 7.619 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.406 7.435 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.006 9.238 -5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.479 9.550 -6.019 1.00 0.00 H new ATOM 840 N GLU A 52 -7.857 5.180 -6.734 1.00 0.00 N ATOM 841 CA GLU A 52 -7.326 3.953 -7.301 1.00 0.00 C ATOM 842 C GLU A 52 -7.109 2.915 -6.197 1.00 0.00 C ATOM 843 O GLU A 52 -7.271 1.717 -6.424 1.00 0.00 O ATOM 844 CB GLU A 52 -6.003 4.340 -7.991 1.00 0.00 C ATOM 845 CG GLU A 52 -6.179 4.649 -9.487 1.00 0.00 C ATOM 846 CD GLU A 52 -7.230 5.727 -9.779 1.00 0.00 C ATOM 847 OE1 GLU A 52 -8.426 5.365 -9.830 1.00 0.00 O ATOM 848 OE2 GLU A 52 -6.823 6.896 -9.961 1.00 0.00 O ATOM 0 H GLU A 52 -7.306 5.986 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.011 3.502 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.580 5.212 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.286 3.527 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.221 4.969 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.458 3.733 -10.007 1.00 0.00 H new ATOM 855 N CYS A 53 -6.732 3.390 -5.004 1.00 0.00 N ATOM 856 CA CYS A 53 -6.545 2.575 -3.827 1.00 0.00 C ATOM 857 C CYS A 53 -7.927 2.119 -3.388 1.00 0.00 C ATOM 858 O CYS A 53 -8.207 0.925 -3.433 1.00 0.00 O ATOM 859 CB CYS A 53 -5.866 3.394 -2.733 1.00 0.00 C ATOM 860 SG CYS A 53 -5.075 2.458 -1.398 1.00 0.00 S ATOM 0 H CYS A 53 -6.547 4.380 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.908 1.715 -4.032 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.112 4.028 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.610 4.057 -2.291 1.00 0.00 H new ATOM 865 N ARG A 54 -8.805 3.079 -3.042 1.00 0.00 N ATOM 866 CA ARG A 54 -10.154 2.740 -2.585 1.00 0.00 C ATOM 867 C ARG A 54 -10.976 1.937 -3.618 1.00 0.00 C ATOM 868 O ARG A 54 -11.885 1.222 -3.206 1.00 0.00 O ATOM 869 CB ARG A 54 -10.913 3.987 -2.113 1.00 0.00 C ATOM 870 CG ARG A 54 -10.291 4.632 -0.855 1.00 0.00 C ATOM 871 CD ARG A 54 -11.345 5.426 -0.071 1.00 0.00 C ATOM 872 NE ARG A 54 -11.755 6.636 -0.797 1.00 0.00 N ATOM 873 CZ ARG A 54 -12.643 7.546 -0.357 1.00 0.00 C ATOM 874 NH1 ARG A 54 -13.241 7.415 0.838 1.00 0.00 N ATOM 875 NH2 ARG A 54 -12.934 8.605 -1.126 1.00 0.00 N ATOM 0 H ARG A 54 -8.604 4.079 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.021 2.075 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.932 4.721 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.948 3.718 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.864 3.858 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.474 5.292 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.216 4.796 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.943 5.703 0.904 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.331 6.800 -1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.025 6.614 1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.911 8.117 1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.484 8.715 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.606 9.301 -0.802 1.00 0.00 H new ATOM 889 N ARG A 55 -10.691 2.011 -4.931 1.00 0.00 N ATOM 890 CA ARG A 55 -11.406 1.255 -5.957 1.00 0.00 C ATOM 891 C ARG A 55 -11.411 -0.261 -5.709 1.00 0.00 C ATOM 892 O ARG A 55 -12.382 -0.932 -6.045 1.00 0.00 O ATOM 893 CB ARG A 55 -10.721 1.489 -7.313 1.00 0.00 C ATOM 894 CG ARG A 55 -11.169 2.790 -8.000 1.00 0.00 C ATOM 895 CD ARG A 55 -11.072 2.703 -9.529 1.00 0.00 C ATOM 896 NE ARG A 55 -9.707 2.384 -9.975 1.00 0.00 N ATOM 897 CZ ARG A 55 -9.291 2.346 -11.253 1.00 0.00 C ATOM 898 NH1 ARG A 55 -10.121 2.641 -12.266 1.00 0.00 N ATOM 899 NH2 ARG A 55 -8.023 2.003 -11.521 1.00 0.00 N ATOM 0 H ARG A 55 -9.950 2.604 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.438 1.606 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.641 1.515 -7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.934 0.646 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.197 3.013 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.553 3.617 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.760 1.941 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.385 3.651 -9.967 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.017 2.174 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.089 2.900 -12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.784 2.606 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.385 1.774 -10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.697 1.971 -12.487 1.00 0.00 H new ATOM 913 N THR A 56 -10.307 -0.772 -5.159 1.00 0.00 N ATOM 914 CA THR A 56 -10.019 -2.174 -4.870 1.00 0.00 C ATOM 915 C THR A 56 -9.980 -2.460 -3.363 1.00 0.00 C ATOM 916 O THR A 56 -10.560 -3.439 -2.902 1.00 0.00 O ATOM 917 CB THR A 56 -8.657 -2.502 -5.528 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.755 -2.328 -6.930 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.175 -3.935 -5.262 1.00 0.00 C ATOM 0 H THR A 56 -9.533 -0.167 -4.884 1.00 0.00 H new ATOM 0 HA THR A 56 -10.813 -2.804 -5.272 1.00 0.00 H new ATOM 0 HB THR A 56 -7.933 -1.820 -5.082 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.892 -2.534 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.215 -4.093 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.063 -4.088 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.905 -4.643 -5.655 1.00 0.00 H new ATOM 927 N CYS A 57 -9.291 -1.615 -2.590 1.00 0.00 N ATOM 928 CA CYS A 57 -9.094 -1.717 -1.164 1.00 0.00 C ATOM 929 C CYS A 57 -10.380 -1.522 -0.383 1.00 0.00 C ATOM 930 O CYS A 57 -10.623 -2.218 0.603 1.00 0.00 O ATOM 931 CB CYS A 57 -8.063 -0.653 -0.785 1.00 0.00 C ATOM 932 SG CYS A 57 -6.438 -0.839 -1.567 1.00 0.00 S ATOM 0 H CYS A 57 -8.831 -0.793 -2.981 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.747 -2.719 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.463 0.327 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.931 -0.667 0.297 1.00 0.00 H new ATOM 937 N ILE A 58 -11.179 -0.561 -0.848 1.00 0.00 N ATOM 938 CA ILE A 58 -12.464 -0.198 -0.247 1.00 0.00 C ATOM 939 C ILE A 58 -13.662 -0.654 -1.101 1.00 0.00 C ATOM 940 O ILE A 58 -14.790 -0.711 -0.612 1.00 0.00 O ATOM 941 CB ILE A 58 -12.515 1.309 0.070 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.263 1.806 0.826 1.00 0.00 C ATOM 943 CG2 ILE A 58 -13.743 1.663 0.930 1.00 0.00 C ATOM 944 CD1 ILE A 58 -10.945 1.107 2.139 1.00 0.00 C ATOM 0 H ILE A 58 -10.947 -0.002 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.547 -0.738 0.696 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.569 1.801 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.402 1.702 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.385 2.871 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.747 2.734 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.653 1.392 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.699 1.114 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.046 1.543 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.780 1.231 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.781 0.045 1.956 1.00 0.00 H new ATOM 956 N ARG A 59 -13.409 -1.009 -2.364 1.00 0.00 N ATOM 957 CA ARG A 59 -14.361 -1.447 -3.368 1.00 0.00 C ATOM 958 C ARG A 59 -15.303 -0.280 -3.713 1.00 0.00 C ATOM 959 O ARG A 59 -16.523 -0.389 -3.593 1.00 0.00 O ATOM 960 CB ARG A 59 -15.061 -2.749 -2.923 1.00 0.00 C ATOM 961 CG ARG A 59 -15.236 -3.691 -4.120 1.00 0.00 C ATOM 962 CD ARG A 59 -16.161 -3.144 -5.217 1.00 0.00 C ATOM 963 NE ARG A 59 -16.227 -4.047 -6.376 1.00 0.00 N ATOM 964 CZ ARG A 59 -16.954 -5.175 -6.466 1.00 0.00 C ATOM 965 NH1 ARG A 59 -17.691 -5.618 -5.435 1.00 0.00 N ATOM 966 NH2 ARG A 59 -16.943 -5.871 -7.611 1.00 0.00 N ATOM 0 H ARG A 59 -12.458 -0.994 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.857 -1.713 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.473 -3.240 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.033 -2.518 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.257 -3.896 -4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.633 -4.642 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.162 -3.001 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.805 -2.165 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.667 -3.793 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.708 -5.096 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.234 -6.476 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.388 -5.544 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.490 -6.728 -7.692 1.00 0.00 H new ATOM 980 N LYS A 60 -14.710 0.846 -4.147 1.00 0.00 N ATOM 981 CA LYS A 60 -15.406 2.073 -4.522 1.00 0.00 C ATOM 982 C LYS A 60 -15.938 1.936 -5.956 1.00 0.00 C ATOM 983 O LYS A 60 -17.177 1.991 -6.116 1.00 0.00 O ATOM 984 CB LYS A 60 -14.440 3.269 -4.378 1.00 0.00 C ATOM 985 CG LYS A 60 -15.130 4.642 -4.467 1.00 0.00 C ATOM 986 CD LYS A 60 -15.946 5.031 -3.222 1.00 0.00 C ATOM 987 CE LYS A 60 -15.069 5.221 -1.973 1.00 0.00 C ATOM 988 NZ LYS A 60 -15.834 5.789 -0.850 1.00 0.00 N ATOM 989 OXT LYS A 60 -15.100 1.770 -6.871 1.00 0.00 O ATOM 0 H LYS A 60 -13.698 0.921 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.258 2.248 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.924 3.194 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.679 3.205 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.371 5.405 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.791 4.646 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.490 5.954 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.690 4.259 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.646 4.261 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.233 5.878 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.209 5.902 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.217 6.716 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.617 5.150 -0.605 1.00 0.00 H new TER 1003 LYS A 60