USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 240 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 Single : A 1 CYS N :NH3+ -131:sc= 0.198 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=-0.26) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -6.6! C(o=-7.4!,f=-6.6!) USER MOD Single : A 12 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.21) USER MOD Single : A 21 THR OG1 : rot 6:sc= 0.619 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00186 X(o=-0.0019,f=-0.044) USER MOD Single : A 32 TYR OH : rot 168:sc= -0.743 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.275 -7.661 8.145 1.00 0.00 N ATOM 2 CA CYS A 1 -3.215 -7.447 7.175 1.00 0.00 C ATOM 3 C CYS A 1 -3.707 -6.427 6.144 1.00 0.00 C ATOM 4 O CYS A 1 -4.757 -5.813 6.326 1.00 0.00 O ATOM 5 CB CYS A 1 -2.776 -8.756 6.517 1.00 0.00 C ATOM 6 SG CYS A 1 -4.086 -9.615 5.571 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.887 -7.582 9.107 1.00 0.00 H new ATOM 0 H2 CYS A 1 -5.017 -6.945 8.012 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.681 -8.609 8.012 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.331 -7.057 7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.941 -8.548 5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.405 -9.429 7.290 1.00 0.00 H new ATOM 11 N VAL A 2 -2.924 -6.280 5.084 1.00 0.00 N ATOM 12 CA VAL A 2 -3.267 -5.346 4.025 1.00 0.00 C ATOM 13 C VAL A 2 -3.068 -6.026 2.669 1.00 0.00 C ATOM 14 O VAL A 2 -2.012 -6.599 2.405 1.00 0.00 O ATOM 15 CB VAL A 2 -2.449 -4.062 4.176 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.799 -3.668 2.847 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.313 -2.923 4.722 1.00 0.00 C ATOM 0 H VAL A 2 -2.054 -6.792 4.937 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.316 -5.057 4.093 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.653 -4.254 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.223 -2.752 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.137 -4.468 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.573 -3.503 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.708 -2.022 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.139 -2.732 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.708 -3.202 5.699 1.00 0.00 H new ATOM 27 N ARG A 3 -4.102 -5.940 1.844 1.00 0.00 N ATOM 28 CA ARG A 3 -4.054 -6.539 0.521 1.00 0.00 C ATOM 29 C ARG A 3 -3.223 -5.672 -0.425 1.00 0.00 C ATOM 30 O ARG A 3 -2.782 -4.586 -0.053 1.00 0.00 O ATOM 31 CB ARG A 3 -5.461 -6.709 -0.057 1.00 0.00 C ATOM 32 CG ARG A 3 -5.900 -8.174 -0.011 1.00 0.00 C ATOM 33 CD ARG A 3 -6.885 -8.414 1.136 1.00 0.00 C ATOM 34 NE ARG A 3 -6.249 -8.077 2.428 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.893 -8.063 3.602 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.198 -8.368 3.654 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.236 -7.744 4.725 1.00 0.00 N ATOM 0 H ARG A 3 -4.977 -5.465 2.066 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.592 -7.521 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.166 -6.097 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.480 -6.352 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.365 -8.448 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.028 -8.815 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.779 -7.807 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.205 -9.456 1.140 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.257 -7.840 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.699 -8.611 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.689 -8.357 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.244 -7.511 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.728 -7.734 5.618 1.00 0.00 H new ATOM 51 N LEU A 4 -3.031 -6.184 -1.632 1.00 0.00 N ATOM 52 CA LEU A 4 -2.260 -5.470 -2.635 1.00 0.00 C ATOM 53 C LEU A 4 -2.965 -4.155 -2.974 1.00 0.00 C ATOM 54 O LEU A 4 -2.358 -3.086 -2.909 1.00 0.00 O ATOM 55 CB LEU A 4 -2.005 -6.362 -3.851 1.00 0.00 C ATOM 56 CG LEU A 4 -0.573 -6.370 -4.391 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.049 -7.763 -4.274 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.523 -5.838 -5.824 1.00 0.00 C ATOM 0 H LEU A 4 -3.397 -7.086 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.275 -5.213 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.279 -7.384 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.673 -6.048 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 4 0.026 -5.697 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.066 -7.741 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.069 -8.066 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.544 -8.476 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.506 -5.855 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.141 -6.465 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.898 -4.815 -5.846 1.00 0.00 H new ATOM 70 N HIS A 5 -4.236 -4.275 -3.328 1.00 0.00 N ATOM 71 CA HIS A 5 -5.030 -3.111 -3.676 1.00 0.00 C ATOM 72 C HIS A 5 -5.619 -2.492 -2.407 1.00 0.00 C ATOM 73 O HIS A 5 -6.801 -2.156 -2.367 1.00 0.00 O ATOM 74 CB HIS A 5 -6.099 -3.472 -4.711 1.00 0.00 C ATOM 75 CG HIS A 5 -5.755 -3.052 -6.121 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.401 -1.755 -6.451 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.717 -3.768 -7.280 1.00 0.00 C ATOM 78 CE1 HIS A 5 -5.161 -1.707 -7.753 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.358 -2.955 -8.265 1.00 0.00 N ATOM 0 H HIS A 5 -4.736 -5.163 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.394 -2.359 -4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.259 -4.550 -4.693 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.041 -3.005 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.941 -4.820 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.862 -0.832 -8.311 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.248 -3.220 -9.244 1.00 0.00 H new ATOM 88 N GLU A 6 -4.766 -2.360 -1.402 1.00 0.00 N ATOM 89 CA GLU A 6 -5.186 -1.787 -0.134 1.00 0.00 C ATOM 90 C GLU A 6 -4.128 -0.813 0.385 1.00 0.00 C ATOM 91 O GLU A 6 -3.037 -1.226 0.774 1.00 0.00 O ATOM 92 CB GLU A 6 -5.474 -2.883 0.894 1.00 0.00 C ATOM 93 CG GLU A 6 -6.773 -3.622 0.559 1.00 0.00 C ATOM 94 CD GLU A 6 -7.294 -4.393 1.773 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.445 -4.773 2.609 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.526 -4.586 1.837 1.00 0.00 O ATOM 0 H GLU A 6 -3.786 -2.640 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.111 -1.234 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.645 -3.590 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.548 -2.443 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.526 -2.908 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.601 -4.311 -0.267 1.00 0.00 H new ATOM 103 N SER A 7 -4.487 0.462 0.375 1.00 0.00 N ATOM 104 CA SER A 7 -3.582 1.498 0.840 1.00 0.00 C ATOM 105 C SER A 7 -2.687 0.951 1.954 1.00 0.00 C ATOM 106 O SER A 7 -3.121 0.125 2.754 1.00 0.00 O ATOM 107 CB SER A 7 -4.354 2.723 1.335 1.00 0.00 C ATOM 108 OG SER A 7 -3.742 3.315 2.479 1.00 0.00 O ATOM 0 H SER A 7 -5.393 0.801 0.052 1.00 0.00 H new ATOM 0 HA SER A 7 -2.959 1.808 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.415 3.460 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.376 2.433 1.580 1.00 0.00 H new ATOM 0 HG SER A 7 -4.264 4.094 2.763 1.00 0.00 H new ATOM 114 N CYS A 8 -1.453 1.432 1.968 1.00 0.00 N ATOM 115 CA CYS A 8 -0.493 1.001 2.970 1.00 0.00 C ATOM 116 C CYS A 8 -0.015 2.233 3.739 1.00 0.00 C ATOM 117 O CYS A 8 0.815 2.123 4.642 1.00 0.00 O ATOM 118 CB CYS A 8 0.673 0.231 2.343 1.00 0.00 C ATOM 119 SG CYS A 8 2.154 0.081 3.405 1.00 0.00 S ATOM 0 H CYS A 8 -1.096 2.116 1.301 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.972 0.306 3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.329 -0.769 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.958 0.725 1.414 1.00 0.00 H new ATOM 124 N LEU A 9 -0.555 3.379 3.353 1.00 0.00 N ATOM 125 CA LEU A 9 -0.195 4.632 3.996 1.00 0.00 C ATOM 126 C LEU A 9 -0.655 4.603 5.454 1.00 0.00 C ATOM 127 O LEU A 9 -1.850 4.507 5.730 1.00 0.00 O ATOM 128 CB LEU A 9 -0.742 5.818 3.202 1.00 0.00 C ATOM 129 CG LEU A 9 -2.081 6.384 3.676 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.886 7.337 4.857 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.838 7.047 2.524 1.00 0.00 C ATOM 0 H LEU A 9 -1.240 3.467 2.602 1.00 0.00 H new ATOM 0 HA LEU A 9 0.888 4.757 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.003 6.618 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.847 5.514 2.160 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.695 5.555 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.854 7.725 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.421 6.801 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.244 8.165 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.786 7.440 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.240 7.862 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.028 6.311 1.742 1.00 0.00 H new ATOM 143 N GLY A 10 0.317 4.688 6.351 1.00 0.00 N ATOM 144 CA GLY A 10 0.026 4.674 7.774 1.00 0.00 C ATOM 145 C GLY A 10 -0.608 3.344 8.191 1.00 0.00 C ATOM 146 O GLY A 10 -1.446 3.306 9.090 1.00 0.00 O ATOM 0 H GLY A 10 1.307 4.767 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.944 4.836 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.648 5.495 8.019 1.00 0.00 H new ATOM 150 N GLN A 11 -0.181 2.285 7.517 1.00 0.00 N ATOM 151 CA GLN A 11 -0.696 0.959 7.805 1.00 0.00 C ATOM 152 C GLN A 11 -0.094 0.427 9.109 1.00 0.00 C ATOM 153 O GLN A 11 1.122 0.458 9.293 1.00 0.00 O ATOM 154 CB GLN A 11 -0.424 -0.001 6.645 1.00 0.00 C ATOM 155 CG GLN A 11 0.826 -0.843 6.912 1.00 0.00 C ATOM 156 CD GLN A 11 1.069 -1.839 5.775 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.015 -2.518 5.412 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 2.167 -1.981 5.264 1.00 0.00 N flip ATOM 0 H GLN A 11 0.516 2.320 6.773 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.777 1.030 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.284 -0.655 6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.295 0.565 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.692 -0.190 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.713 -1.381 7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.958 -1.426 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.295 -2.655 4.509 1.00 0.00 H new ATOM 167 N GLN A 12 -0.973 -0.048 9.979 1.00 0.00 N ATOM 168 CA GLN A 12 -0.544 -0.585 11.259 1.00 0.00 C ATOM 169 C GLN A 12 -0.399 -2.106 11.175 1.00 0.00 C ATOM 170 O GLN A 12 0.033 -2.745 12.133 1.00 0.00 O ATOM 171 CB GLN A 12 -1.513 -0.187 12.374 1.00 0.00 C ATOM 172 CG GLN A 12 -0.761 0.396 13.572 1.00 0.00 C ATOM 173 CD GLN A 12 -0.446 1.877 13.354 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.298 2.675 12.998 1.00 0.00 O ATOM 175 NE2 GLN A 12 0.823 2.200 13.585 1.00 0.00 N ATOM 0 H GLN A 12 -1.981 -0.072 9.823 1.00 0.00 H new ATOM 0 HA GLN A 12 0.430 -0.160 11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.226 0.546 11.996 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.087 -1.058 12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.360 0.277 14.475 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.165 -0.157 13.729 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.486 1.483 13.881 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.134 3.164 13.466 1.00 0.00 H new ATOM 184 N VAL A 13 -0.768 -2.641 10.021 1.00 0.00 N ATOM 185 CA VAL A 13 -0.685 -4.073 9.798 1.00 0.00 C ATOM 186 C VAL A 13 0.163 -4.345 8.555 1.00 0.00 C ATOM 187 O VAL A 13 0.280 -3.488 7.681 1.00 0.00 O ATOM 188 CB VAL A 13 -2.090 -4.672 9.705 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.333 -5.680 10.830 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.156 -3.573 9.716 1.00 0.00 C ATOM 0 H VAL A 13 -1.126 -2.107 9.229 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.193 -4.561 10.640 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.165 -5.204 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.339 -6.090 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.604 -6.487 10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.229 -5.182 11.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.145 -4.025 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.080 -3.002 10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.002 -2.909 8.866 1.00 0.00 H new ATOM 200 N PRO A 14 0.748 -5.572 8.513 1.00 0.00 N ATOM 201 CA PRO A 14 1.582 -5.966 7.391 1.00 0.00 C ATOM 202 C PRO A 14 0.730 -6.294 6.163 1.00 0.00 C ATOM 203 O PRO A 14 -0.493 -6.397 6.262 1.00 0.00 O ATOM 204 CB PRO A 14 2.382 -7.158 7.895 1.00 0.00 C ATOM 205 CG PRO A 14 1.635 -7.675 9.114 1.00 0.00 C ATOM 206 CD PRO A 14 0.631 -6.612 9.531 1.00 0.00 C ATOM 0 HA PRO A 14 2.247 -5.168 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.459 -7.929 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.399 -6.864 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.126 -8.610 8.881 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.330 -7.884 9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.381 -7.016 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.857 -6.222 10.523 1.00 0.00 H new ATOM 214 N CYS A 15 1.408 -6.450 5.037 1.00 0.00 N ATOM 215 CA CYS A 15 0.729 -6.764 3.791 1.00 0.00 C ATOM 216 C CYS A 15 0.675 -8.286 3.643 1.00 0.00 C ATOM 217 O CYS A 15 1.713 -8.943 3.573 1.00 0.00 O ATOM 218 CB CYS A 15 1.408 -6.098 2.592 1.00 0.00 C ATOM 219 SG CYS A 15 0.345 -5.911 1.115 1.00 0.00 S ATOM 0 H CYS A 15 2.422 -6.365 4.960 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.285 -6.366 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.763 -5.113 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.286 -6.683 2.319 1.00 0.00 H new ATOM 224 N CYS A 16 -0.544 -8.801 3.602 1.00 0.00 N ATOM 225 CA CYS A 16 -0.748 -10.234 3.463 1.00 0.00 C ATOM 226 C CYS A 16 0.106 -10.730 2.295 1.00 0.00 C ATOM 227 O CYS A 16 0.584 -11.863 2.307 1.00 0.00 O ATOM 228 CB CYS A 16 -2.227 -10.580 3.278 1.00 0.00 C ATOM 229 SG CYS A 16 -3.050 -11.252 4.768 1.00 0.00 S ATOM 0 H CYS A 16 -1.402 -8.252 3.663 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.437 -10.739 4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.758 -9.683 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.317 -11.307 2.471 1.00 0.00 H new ATOM 234 N ASP A 17 0.272 -9.855 1.313 1.00 0.00 N ATOM 235 CA ASP A 17 1.060 -10.190 0.139 1.00 0.00 C ATOM 236 C ASP A 17 2.514 -9.778 0.371 1.00 0.00 C ATOM 237 O ASP A 17 2.803 -8.603 0.596 1.00 0.00 O ATOM 238 CB ASP A 17 0.551 -9.446 -1.097 1.00 0.00 C ATOM 239 CG ASP A 17 -0.637 -10.105 -1.805 1.00 0.00 C ATOM 240 OD1 ASP A 17 -0.384 -11.066 -2.561 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.770 -9.632 -1.571 1.00 0.00 O ATOM 0 H ASP A 17 -0.125 -8.916 1.307 1.00 0.00 H new ATOM 0 HA ASP A 17 0.977 -11.264 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.265 -8.436 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.371 -9.350 -1.808 1.00 0.00 H new ATOM 246 N PRO A 18 3.417 -10.795 0.308 1.00 0.00 N ATOM 247 CA PRO A 18 4.835 -10.549 0.510 1.00 0.00 C ATOM 248 C PRO A 18 5.455 -9.876 -0.716 1.00 0.00 C ATOM 249 O PRO A 18 6.452 -9.165 -0.602 1.00 0.00 O ATOM 250 CB PRO A 18 5.432 -11.915 0.802 1.00 0.00 C ATOM 251 CG PRO A 18 4.419 -12.930 0.299 1.00 0.00 C ATOM 252 CD PRO A 18 3.113 -12.196 0.045 1.00 0.00 C ATOM 0 HA PRO A 18 5.030 -9.859 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.391 -12.038 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.614 -12.041 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.775 -13.404 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.275 -13.722 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.770 -12.341 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.321 -12.559 0.700 1.00 0.00 H new ATOM 260 N ALA A 19 4.838 -10.123 -1.863 1.00 0.00 N ATOM 261 CA ALA A 19 5.316 -9.551 -3.109 1.00 0.00 C ATOM 262 C ALA A 19 4.747 -8.140 -3.269 1.00 0.00 C ATOM 263 O ALA A 19 4.971 -7.488 -4.288 1.00 0.00 O ATOM 264 CB ALA A 19 4.934 -10.468 -4.273 1.00 0.00 C ATOM 0 H ALA A 19 4.010 -10.712 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 19 6.403 -9.470 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.293 -10.038 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.387 -11.449 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.850 -10.571 -4.314 1.00 0.00 H new ATOM 270 N ALA A 20 4.021 -7.709 -2.247 1.00 0.00 N ATOM 271 CA ALA A 20 3.417 -6.388 -2.261 1.00 0.00 C ATOM 272 C ALA A 20 4.397 -5.380 -1.659 1.00 0.00 C ATOM 273 O ALA A 20 4.927 -5.597 -0.570 1.00 0.00 O ATOM 274 CB ALA A 20 2.085 -6.427 -1.511 1.00 0.00 C ATOM 0 H ALA A 20 3.838 -8.252 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 20 3.205 -6.073 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.632 -5.436 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.415 -7.137 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.257 -6.736 -0.480 1.00 0.00 H new ATOM 280 N THR A 21 4.609 -4.298 -2.394 1.00 0.00 N ATOM 281 CA THR A 21 5.516 -3.254 -1.945 1.00 0.00 C ATOM 282 C THR A 21 4.739 -1.975 -1.624 1.00 0.00 C ATOM 283 O THR A 21 3.946 -1.505 -2.438 1.00 0.00 O ATOM 284 CB THR A 21 6.585 -3.062 -3.023 1.00 0.00 C ATOM 285 OG1 THR A 21 5.916 -2.334 -4.050 1.00 0.00 O ATOM 286 CG2 THR A 21 6.982 -4.377 -3.695 1.00 0.00 C ATOM 0 H THR A 21 4.169 -4.121 -3.297 1.00 0.00 H new ATOM 0 HA THR A 21 6.016 -3.535 -1.018 1.00 0.00 H new ATOM 0 HB THR A 21 7.468 -2.601 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.017 -2.090 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.743 -4.184 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.380 -5.062 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.107 -4.823 -4.167 1.00 0.00 H new ATOM 294 N CYS A 22 4.996 -1.447 -0.435 1.00 0.00 N ATOM 295 CA CYS A 22 4.331 -0.233 0.004 1.00 0.00 C ATOM 296 C CYS A 22 4.791 0.918 -0.895 1.00 0.00 C ATOM 297 O CYS A 22 5.681 1.682 -0.523 1.00 0.00 O ATOM 298 CB CYS A 22 4.599 0.056 1.482 1.00 0.00 C ATOM 299 SG CYS A 22 3.463 1.271 2.246 1.00 0.00 S ATOM 0 H CYS A 22 5.656 -1.839 0.237 1.00 0.00 H new ATOM 0 HA CYS A 22 3.251 -0.354 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.535 -0.879 2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.621 0.420 1.587 1.00 0.00 H new ATOM 304 N TYR A 23 4.164 1.004 -2.059 1.00 0.00 N ATOM 305 CA TYR A 23 4.498 2.047 -3.012 1.00 0.00 C ATOM 306 C TYR A 23 3.544 3.236 -2.880 1.00 0.00 C ATOM 307 O TYR A 23 2.358 3.059 -2.602 1.00 0.00 O ATOM 308 CB TYR A 23 4.326 1.424 -4.398 1.00 0.00 C ATOM 309 CG TYR A 23 5.111 2.134 -5.502 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.465 2.356 -5.354 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.464 2.556 -6.647 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.203 3.025 -6.394 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.202 3.226 -7.686 1.00 0.00 C ATOM 314 CZ TYR A 23 6.535 3.427 -7.509 1.00 0.00 C ATOM 315 OH TYR A 23 7.232 4.059 -8.490 1.00 0.00 O ATOM 0 H TYR A 23 3.427 0.368 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 23 5.510 2.413 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.639 0.381 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.268 1.429 -4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.971 2.028 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.404 2.383 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.263 3.204 -6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.708 3.561 -8.586 1.00 0.00 H new ATOM 0 HH TYR A 23 6.627 4.288 -9.226 1.00 0.00 H new ATOM 325 N CYS A 24 4.095 4.424 -3.087 1.00 0.00 N ATOM 326 CA CYS A 24 3.308 5.641 -2.993 1.00 0.00 C ATOM 327 C CYS A 24 3.588 6.490 -4.235 1.00 0.00 C ATOM 328 O CYS A 24 4.735 6.846 -4.502 1.00 0.00 O ATOM 329 CB CYS A 24 3.600 6.407 -1.702 1.00 0.00 C ATOM 330 SG CYS A 24 4.214 5.375 -0.321 1.00 0.00 S ATOM 0 H CYS A 24 5.078 4.569 -3.320 1.00 0.00 H new ATOM 0 HA CYS A 24 2.248 5.389 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.337 7.181 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.689 6.913 -1.382 1.00 0.00 H new ATOM 335 N ARG A 25 2.521 6.789 -4.962 1.00 0.00 N ATOM 336 CA ARG A 25 2.637 7.588 -6.169 1.00 0.00 C ATOM 337 C ARG A 25 3.132 8.995 -5.829 1.00 0.00 C ATOM 338 O ARG A 25 4.091 9.482 -6.425 1.00 0.00 O ATOM 339 CB ARG A 25 1.294 7.689 -6.895 1.00 0.00 C ATOM 340 CG ARG A 25 1.498 7.927 -8.393 1.00 0.00 C ATOM 341 CD ARG A 25 2.613 8.945 -8.641 1.00 0.00 C ATOM 342 NE ARG A 25 3.933 8.287 -8.524 1.00 0.00 N ATOM 343 CZ ARG A 25 4.577 7.706 -9.545 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.027 7.700 -10.766 1.00 0.00 N ATOM 345 NH2 ARG A 25 5.771 7.133 -9.345 1.00 0.00 N ATOM 0 H ARG A 25 1.572 6.492 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 25 3.355 7.095 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.724 6.772 -6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.707 8.503 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.745 6.986 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.569 8.284 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.503 9.384 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.539 9.761 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 25 4.381 8.275 -7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.118 8.138 -10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.517 7.258 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.190 7.139 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.261 6.691 -10.123 1.00 0.00 H new ATOM 359 N PHE A 26 2.456 9.610 -4.869 1.00 0.00 N ATOM 360 CA PHE A 26 2.813 10.952 -4.440 1.00 0.00 C ATOM 361 C PHE A 26 3.695 10.911 -3.192 1.00 0.00 C ATOM 362 O PHE A 26 4.342 9.902 -2.916 1.00 0.00 O ATOM 363 CB PHE A 26 1.509 11.678 -4.107 1.00 0.00 C ATOM 364 CG PHE A 26 1.465 13.130 -4.586 1.00 0.00 C ATOM 365 CD1 PHE A 26 1.757 13.429 -5.879 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.136 14.123 -3.717 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.716 14.777 -6.324 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.095 15.472 -4.160 1.00 0.00 C ATOM 369 CZ PHE A 26 1.386 15.771 -5.454 1.00 0.00 C ATOM 0 H PHE A 26 1.662 9.203 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 26 3.369 11.459 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.678 11.133 -4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.359 11.658 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.020 12.641 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.906 13.886 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.947 15.014 -7.352 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.833 16.260 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.355 16.796 -5.792 1.00 0.00 H new ATOM 379 N PHE A 27 3.691 12.020 -2.468 1.00 0.00 N ATOM 380 CA PHE A 27 4.482 12.125 -1.253 1.00 0.00 C ATOM 381 C PHE A 27 3.809 11.386 -0.095 1.00 0.00 C ATOM 382 O PHE A 27 4.373 10.441 0.455 1.00 0.00 O ATOM 383 CB PHE A 27 4.578 13.612 -0.908 1.00 0.00 C ATOM 384 CG PHE A 27 5.921 14.027 -0.304 1.00 0.00 C ATOM 385 CD1 PHE A 27 7.013 14.168 -1.104 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.025 14.254 1.033 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.260 14.552 -0.545 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.272 14.638 1.593 1.00 0.00 C ATOM 389 CZ PHE A 27 8.363 14.779 0.793 1.00 0.00 C ATOM 0 H PHE A 27 3.152 12.855 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 27 5.465 11.680 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.402 14.196 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.783 13.863 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.931 13.987 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.159 14.142 1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.126 14.664 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.354 14.818 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.311 15.071 1.220 1.00 0.00 H new ATOM 399 N ASN A 28 2.614 11.845 0.242 1.00 0.00 N ATOM 400 CA ASN A 28 1.856 11.240 1.325 1.00 0.00 C ATOM 401 C ASN A 28 0.363 11.326 1.009 1.00 0.00 C ATOM 402 O ASN A 28 -0.347 12.160 1.569 1.00 0.00 O ATOM 403 CB ASN A 28 2.103 11.973 2.645 1.00 0.00 C ATOM 404 CG ASN A 28 1.997 11.014 3.833 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.731 10.047 3.950 1.00 0.00 O ATOM 406 ND2 ASN A 28 1.046 11.335 4.704 1.00 0.00 N ATOM 0 H ASN A 28 2.150 12.630 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 28 2.176 10.203 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.092 12.432 2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.379 12.780 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.896 10.757 5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.466 12.159 4.545 1.00 0.00 H new ATOM 413 N ALA A 29 -0.071 10.453 0.110 1.00 0.00 N ATOM 414 CA ALA A 29 -1.468 10.420 -0.287 1.00 0.00 C ATOM 415 C ALA A 29 -1.811 9.024 -0.811 1.00 0.00 C ATOM 416 O ALA A 29 -2.412 8.220 -0.098 1.00 0.00 O ATOM 417 CB ALA A 29 -1.729 11.513 -1.325 1.00 0.00 C ATOM 0 H ALA A 29 0.521 9.764 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.115 10.620 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.777 11.489 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.497 12.487 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.099 11.343 -2.198 1.00 0.00 H new ATOM 423 N PHE A 30 -1.416 8.778 -2.051 1.00 0.00 N ATOM 424 CA PHE A 30 -1.674 7.494 -2.678 1.00 0.00 C ATOM 425 C PHE A 30 -0.530 6.513 -2.412 1.00 0.00 C ATOM 426 O PHE A 30 0.531 6.610 -3.027 1.00 0.00 O ATOM 427 CB PHE A 30 -1.776 7.743 -4.184 1.00 0.00 C ATOM 428 CG PHE A 30 -3.103 8.364 -4.624 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.278 7.829 -4.195 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.109 9.448 -5.446 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.511 8.404 -4.603 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.341 10.022 -5.853 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.516 9.488 -5.424 1.00 0.00 C ATOM 0 H PHE A 30 -0.919 9.447 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.589 7.061 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.961 8.399 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.638 6.797 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.273 6.967 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.176 9.871 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.444 7.981 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.346 10.884 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.453 9.925 -5.735 1.00 0.00 H new ATOM 443 N CYS A 31 -0.785 5.591 -1.495 1.00 0.00 N ATOM 444 CA CYS A 31 0.211 4.595 -1.139 1.00 0.00 C ATOM 445 C CYS A 31 -0.516 3.292 -0.796 1.00 0.00 C ATOM 446 O CYS A 31 -1.394 3.275 0.065 1.00 0.00 O ATOM 447 CB CYS A 31 1.103 5.070 0.008 1.00 0.00 C ATOM 448 SG CYS A 31 2.714 4.212 0.134 1.00 0.00 S ATOM 0 H CYS A 31 -1.667 5.513 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 31 0.879 4.427 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.285 6.138 -0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.564 4.940 0.946 1.00 0.00 H new ATOM 453 N TYR A 32 -0.120 2.233 -1.487 1.00 0.00 N ATOM 454 CA TYR A 32 -0.723 0.929 -1.267 1.00 0.00 C ATOM 455 C TYR A 32 0.300 -0.190 -1.474 1.00 0.00 C ATOM 456 O TYR A 32 1.500 0.070 -1.557 1.00 0.00 O ATOM 457 CB TYR A 32 -1.828 0.792 -2.316 1.00 0.00 C ATOM 458 CG TYR A 32 -1.865 1.934 -3.334 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.972 1.946 -4.386 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.791 2.948 -3.201 1.00 0.00 C ATOM 461 CE1 TYR A 32 -1.006 3.019 -5.346 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.824 4.022 -4.160 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.931 4.005 -5.186 1.00 0.00 C ATOM 464 OH TYR A 32 -1.962 5.019 -6.091 1.00 0.00 O ATOM 0 H TYR A 32 0.610 2.251 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.101 0.849 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.696 -0.150 -2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.792 0.739 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.248 1.151 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.491 2.936 -2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.313 3.041 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.542 4.823 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.781 5.543 -5.968 1.00 0.00 H new ATOM 474 N CYS A 33 -0.212 -1.409 -1.550 1.00 0.00 N ATOM 475 CA CYS A 33 0.642 -2.568 -1.746 1.00 0.00 C ATOM 476 C CYS A 33 0.707 -2.871 -3.244 1.00 0.00 C ATOM 477 O CYS A 33 -0.185 -3.518 -3.789 1.00 0.00 O ATOM 478 CB CYS A 33 0.154 -3.774 -0.941 1.00 0.00 C ATOM 479 SG CYS A 33 0.778 -3.855 0.778 1.00 0.00 S ATOM 0 H CYS A 33 -1.208 -1.620 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 33 1.644 -2.349 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.936 -3.760 -0.916 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.449 -4.684 -1.463 1.00 0.00 H new ATOM 484 N ARG A 34 1.772 -2.388 -3.867 1.00 0.00 N ATOM 485 CA ARG A 34 1.964 -2.597 -5.292 1.00 0.00 C ATOM 486 C ARG A 34 3.191 -3.478 -5.538 1.00 0.00 C ATOM 487 O ARG A 34 3.362 -4.506 -4.885 1.00 0.00 O ATOM 488 CB ARG A 34 2.145 -1.268 -6.027 1.00 0.00 C ATOM 489 CG ARG A 34 2.537 -1.495 -7.487 1.00 0.00 C ATOM 490 CD ARG A 34 1.397 -2.155 -8.265 1.00 0.00 C ATOM 491 NE ARG A 34 1.944 -3.113 -9.252 1.00 0.00 N ATOM 492 CZ ARG A 34 2.208 -4.399 -8.982 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.975 -4.889 -7.757 1.00 0.00 N ATOM 494 NH2 ARG A 34 2.703 -5.195 -9.939 1.00 0.00 N ATOM 0 H ARG A 34 2.511 -1.853 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 34 1.072 -3.092 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.219 -0.694 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.912 -0.675 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.794 -0.543 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.426 -2.123 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.728 -2.672 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.805 -1.394 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 34 2.132 -2.774 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.596 -4.283 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.176 -5.868 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.879 -4.822 -10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.904 -6.174 -9.735 1.00 0.00 H new