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+ -136:sc= 1.17 (180deg=0.0434) USER MOD Single : A 5 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.35) USER MOD Single : A 7 SER OG : rot -170:sc= 0.0425 USER MOD Single : A 11 GLN :FLIP amide:sc= -3.87! C(o=-4.6!,f=-3.9!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 120:sc= 0.281 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.565 -8.035 7.672 1.00 0.00 N ATOM 2 CA CYS A 1 -2.560 -7.573 6.730 1.00 0.00 C ATOM 3 C CYS A 1 -3.245 -6.668 5.704 1.00 0.00 C ATOM 4 O CYS A 1 -4.471 -6.594 5.655 1.00 0.00 O ATOM 5 CB CYS A 1 -1.829 -8.740 6.062 1.00 0.00 C ATOM 6 SG CYS A 1 -2.765 -10.313 6.028 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.190 -7.970 8.640 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.416 -7.443 7.590 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.810 -9.024 7.461 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.794 -7.007 7.261 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.582 -8.458 5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.886 -8.906 6.583 1.00 0.00 H new ATOM 11 N VAL A 2 -2.420 -5.999 4.908 1.00 0.00 N ATOM 12 CA VAL A 2 -2.931 -5.102 3.886 1.00 0.00 C ATOM 13 C VAL A 2 -2.783 -5.761 2.515 1.00 0.00 C ATOM 14 O VAL A 2 -1.732 -6.320 2.200 1.00 0.00 O ATOM 15 CB VAL A 2 -2.226 -3.748 3.980 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.400 -2.949 2.686 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.723 -2.951 5.188 1.00 0.00 C ATOM 0 H VAL A 2 -1.403 -6.061 4.951 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.993 -4.911 4.040 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.161 -3.935 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.889 -1.990 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.974 -3.508 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.461 -2.779 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.205 -1.993 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.795 -2.780 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.523 -3.512 6.101 1.00 0.00 H new ATOM 27 N ARG A 3 -3.849 -5.674 1.732 1.00 0.00 N ATOM 28 CA ARG A 3 -3.850 -6.255 0.401 1.00 0.00 C ATOM 29 C ARG A 3 -3.254 -5.270 -0.609 1.00 0.00 C ATOM 30 O ARG A 3 -3.222 -4.066 -0.361 1.00 0.00 O ATOM 31 CB ARG A 3 -5.268 -6.628 -0.036 1.00 0.00 C ATOM 32 CG ARG A 3 -5.480 -8.141 0.023 1.00 0.00 C ATOM 33 CD ARG A 3 -6.291 -8.534 1.260 1.00 0.00 C ATOM 34 NE ARG A 3 -6.016 -7.589 2.365 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.875 -7.326 3.358 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.069 -7.936 3.392 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.543 -6.453 4.320 1.00 0.00 N ATOM 0 H ARG A 3 -4.718 -5.209 1.995 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.242 -7.159 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.993 -6.130 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.445 -6.272 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.998 -8.475 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.515 -8.647 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.355 -8.531 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.035 -9.549 1.566 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.116 -7.108 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.323 -8.601 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.723 -7.735 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.635 -5.988 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.198 -6.253 5.076 1.00 0.00 H new ATOM 51 N LEU A 4 -2.799 -5.820 -1.725 1.00 0.00 N ATOM 52 CA LEU A 4 -2.207 -5.005 -2.772 1.00 0.00 C ATOM 53 C LEU A 4 -3.101 -3.793 -3.037 1.00 0.00 C ATOM 54 O LEU A 4 -2.607 -2.687 -3.248 1.00 0.00 O ATOM 55 CB LEU A 4 -1.934 -5.850 -4.018 1.00 0.00 C ATOM 56 CG LEU A 4 -0.633 -5.544 -4.764 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.388 -6.666 -4.568 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.903 -5.266 -6.244 1.00 0.00 C ATOM 0 H LEU A 4 -2.828 -6.819 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.237 -4.623 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.924 -6.900 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.766 -5.720 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.200 -4.638 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.303 -6.424 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.611 -6.774 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.022 -7.601 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.038 -5.051 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.370 -6.140 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.569 -4.409 -6.337 1.00 0.00 H new ATOM 70 N HIS A 5 -4.402 -4.041 -3.014 1.00 0.00 N ATOM 71 CA HIS A 5 -5.371 -2.984 -3.249 1.00 0.00 C ATOM 72 C HIS A 5 -5.849 -2.419 -1.910 1.00 0.00 C ATOM 73 O HIS A 5 -7.047 -2.243 -1.698 1.00 0.00 O ATOM 74 CB HIS A 5 -6.521 -3.483 -4.126 1.00 0.00 C ATOM 75 CG HIS A 5 -6.425 -3.051 -5.570 1.00 0.00 C ATOM 76 ND1 HIS A 5 -6.200 -1.738 -5.946 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.525 -3.771 -6.724 1.00 0.00 C ATOM 78 CE1 HIS A 5 -6.168 -1.682 -7.269 1.00 0.00 C ATOM 79 NE2 HIS A 5 -6.370 -2.943 -7.749 1.00 0.00 N ATOM 0 H HIS A 5 -4.808 -4.960 -2.836 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.899 -2.171 -3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.550 -4.572 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.463 -3.123 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.701 -4.834 -6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.010 -0.794 -7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.397 -3.206 -8.734 1.00 0.00 H new ATOM 88 N GLU A 6 -4.886 -2.151 -1.040 1.00 0.00 N ATOM 89 CA GLU A 6 -5.194 -1.610 0.274 1.00 0.00 C ATOM 90 C GLU A 6 -4.108 -0.625 0.710 1.00 0.00 C ATOM 91 O GLU A 6 -2.991 -1.029 1.032 1.00 0.00 O ATOM 92 CB GLU A 6 -5.363 -2.731 1.302 1.00 0.00 C ATOM 93 CG GLU A 6 -6.662 -3.502 1.064 1.00 0.00 C ATOM 94 CD GLU A 6 -7.083 -4.267 2.321 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.323 -4.196 3.309 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.156 -4.906 2.263 1.00 0.00 O ATOM 0 H GLU A 6 -3.893 -2.298 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.140 -1.073 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.515 -3.413 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.365 -2.310 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.452 -2.810 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.529 -4.199 0.237 1.00 0.00 H new ATOM 103 N SER A 7 -4.472 0.649 0.706 1.00 0.00 N ATOM 104 CA SER A 7 -3.544 1.695 1.096 1.00 0.00 C ATOM 105 C SER A 7 -2.794 1.281 2.365 1.00 0.00 C ATOM 106 O SER A 7 -3.285 0.465 3.142 1.00 0.00 O ATOM 107 CB SER A 7 -4.270 3.023 1.317 1.00 0.00 C ATOM 108 OG SER A 7 -3.824 3.686 2.498 1.00 0.00 O ATOM 0 H SER A 7 -5.399 0.980 0.438 1.00 0.00 H new ATOM 0 HA SER A 7 -2.827 1.836 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.110 3.671 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.343 2.843 1.386 1.00 0.00 H new ATOM 0 HG SER A 7 -4.414 4.444 2.690 1.00 0.00 H new ATOM 114 N CYS A 8 -1.617 1.867 2.536 1.00 0.00 N ATOM 115 CA CYS A 8 -0.795 1.569 3.696 1.00 0.00 C ATOM 116 C CYS A 8 -0.632 2.854 4.510 1.00 0.00 C ATOM 117 O CYS A 8 -0.034 2.840 5.586 1.00 0.00 O ATOM 118 CB CYS A 8 0.555 0.972 3.296 1.00 0.00 C ATOM 119 SG CYS A 8 1.015 1.220 1.542 1.00 0.00 S ATOM 0 H CYS A 8 -1.214 2.546 1.891 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.285 0.811 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.330 1.409 3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.540 -0.098 3.505 1.00 0.00 H new ATOM 124 N LEU A 9 -1.174 3.934 3.967 1.00 0.00 N ATOM 125 CA LEU A 9 -1.096 5.225 4.630 1.00 0.00 C ATOM 126 C LEU A 9 -1.284 5.032 6.136 1.00 0.00 C ATOM 127 O LEU A 9 -2.369 4.671 6.591 1.00 0.00 O ATOM 128 CB LEU A 9 -2.090 6.208 4.008 1.00 0.00 C ATOM 129 CG LEU A 9 -1.628 6.909 2.729 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.806 7.570 2.011 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.505 7.905 3.025 1.00 0.00 C ATOM 0 H LEU A 9 -1.669 3.942 3.075 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.111 5.669 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.014 5.672 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.330 6.970 4.750 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.221 6.156 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.451 8.061 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.543 6.812 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.265 8.309 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.195 8.389 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.863 8.659 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.344 7.378 3.460 1.00 0.00 H new ATOM 143 N GLY A 10 -0.209 5.282 6.871 1.00 0.00 N ATOM 144 CA GLY A 10 -0.240 5.139 8.316 1.00 0.00 C ATOM 145 C GLY A 10 -0.911 3.826 8.724 1.00 0.00 C ATOM 146 O GLY A 10 -1.834 3.822 9.537 1.00 0.00 O ATOM 0 H GLY A 10 0.689 5.583 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.776 5.170 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.778 5.978 8.756 1.00 0.00 H new ATOM 150 N GLN A 11 -0.419 2.743 8.140 1.00 0.00 N ATOM 151 CA GLN A 11 -0.958 1.426 8.434 1.00 0.00 C ATOM 152 C GLN A 11 -0.214 0.796 9.613 1.00 0.00 C ATOM 153 O GLN A 11 0.797 1.328 10.067 1.00 0.00 O ATOM 154 CB GLN A 11 -0.896 0.521 7.200 1.00 0.00 C ATOM 155 CG GLN A 11 0.537 0.413 6.673 1.00 0.00 C ATOM 156 CD GLN A 11 1.038 -1.032 6.738 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.489 -1.394 7.936 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 1.016 -1.768 5.766 1.00 0.00 N flip ATOM 0 H GLN A 11 0.346 2.751 7.465 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.006 1.539 8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.271 -0.471 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.546 0.918 6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.578 0.770 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.193 1.056 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.656 -1.426 4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.357 -2.726 5.844 1.00 0.00 H new ATOM 167 N GLN A 12 -0.745 -0.327 10.075 1.00 0.00 N ATOM 168 CA GLN A 12 -0.143 -1.034 11.192 1.00 0.00 C ATOM 169 C GLN A 12 -0.050 -2.530 10.887 1.00 0.00 C ATOM 170 O GLN A 12 0.475 -3.300 11.690 1.00 0.00 O ATOM 171 CB GLN A 12 -0.925 -0.785 12.484 1.00 0.00 C ATOM 172 CG GLN A 12 0.022 -0.612 13.674 1.00 0.00 C ATOM 173 CD GLN A 12 -0.760 -0.343 14.961 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.831 0.242 14.957 1.00 0.00 O ATOM 175 NE2 GLN A 12 -0.168 -0.801 16.060 1.00 0.00 N ATOM 0 H GLN A 12 -1.585 -0.764 9.696 1.00 0.00 H new ATOM 0 HA GLN A 12 0.867 -0.650 11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.542 0.106 12.373 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.601 -1.620 12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.629 -1.509 13.794 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.707 0.213 13.481 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.729 -1.282 15.993 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.611 -0.671 16.970 1.00 0.00 H new ATOM 184 N VAL A 13 -0.568 -2.897 9.724 1.00 0.00 N ATOM 185 CA VAL A 13 -0.551 -4.287 9.303 1.00 0.00 C ATOM 186 C VAL A 13 0.348 -4.431 8.072 1.00 0.00 C ATOM 187 O VAL A 13 0.434 -3.519 7.253 1.00 0.00 O ATOM 188 CB VAL A 13 -1.979 -4.778 9.061 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.358 -5.874 10.059 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.974 -3.618 9.115 1.00 0.00 C ATOM 0 H VAL A 13 -1.002 -2.256 9.060 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.133 -4.919 10.087 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.021 -5.208 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.378 -6.206 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.676 -6.717 9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.291 -5.481 11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.982 -3.995 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.929 -3.145 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.722 -2.886 8.348 1.00 0.00 H new ATOM 200 N PRO A 14 1.011 -5.615 7.981 1.00 0.00 N ATOM 201 CA PRO A 14 1.900 -5.890 6.865 1.00 0.00 C ATOM 202 C PRO A 14 1.105 -6.198 5.594 1.00 0.00 C ATOM 203 O PRO A 14 -0.103 -6.424 5.653 1.00 0.00 O ATOM 204 CB PRO A 14 2.760 -7.056 7.326 1.00 0.00 C ATOM 205 CG PRO A 14 2.015 -7.689 8.489 1.00 0.00 C ATOM 206 CD PRO A 14 0.933 -6.718 8.935 1.00 0.00 C ATOM 0 HA PRO A 14 2.521 -5.034 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.908 -7.774 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.748 -6.715 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.574 -8.639 8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.699 -7.901 9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.051 -7.187 8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.106 -6.373 9.955 1.00 0.00 H new ATOM 214 N CYS A 15 1.815 -6.196 4.476 1.00 0.00 N ATOM 215 CA CYS A 15 1.192 -6.473 3.194 1.00 0.00 C ATOM 216 C CYS A 15 0.850 -7.965 3.135 1.00 0.00 C ATOM 217 O CYS A 15 1.745 -8.808 3.133 1.00 0.00 O ATOM 218 CB CYS A 15 2.084 -6.047 2.026 1.00 0.00 C ATOM 219 SG CYS A 15 2.159 -4.241 1.739 1.00 0.00 S ATOM 0 H CYS A 15 2.816 -6.007 4.432 1.00 0.00 H new ATOM 0 HA CYS A 15 0.277 -5.888 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.094 -6.415 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.725 -6.531 1.118 1.00 0.00 H new ATOM 224 N CYS A 16 -0.443 -8.241 3.091 1.00 0.00 N ATOM 225 CA CYS A 16 -0.913 -9.616 3.033 1.00 0.00 C ATOM 226 C CYS A 16 -0.266 -10.295 1.825 1.00 0.00 C ATOM 227 O CYS A 16 -0.055 -11.507 1.829 1.00 0.00 O ATOM 228 CB CYS A 16 -2.440 -9.690 2.981 1.00 0.00 C ATOM 229 SG CYS A 16 -3.195 -10.843 4.185 1.00 0.00 S ATOM 0 H CYS A 16 -1.181 -7.537 3.094 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.621 -10.141 3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.844 -8.692 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.741 -9.987 1.977 1.00 0.00 H new ATOM 234 N ASP A 17 0.031 -9.484 0.821 1.00 0.00 N ATOM 235 CA ASP A 17 0.651 -9.990 -0.393 1.00 0.00 C ATOM 236 C ASP A 17 2.062 -10.485 -0.071 1.00 0.00 C ATOM 237 O ASP A 17 2.651 -10.082 0.931 1.00 0.00 O ATOM 238 CB ASP A 17 0.763 -8.894 -1.454 1.00 0.00 C ATOM 239 CG ASP A 17 -0.371 -8.869 -2.480 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.485 -8.465 -2.084 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.097 -9.254 -3.638 1.00 0.00 O ATOM 0 H ASP A 17 -0.146 -8.479 0.823 1.00 0.00 H new ATOM 0 HA ASP A 17 0.029 -10.799 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.801 -7.927 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.708 -9.016 -1.983 1.00 0.00 H new ATOM 246 N PRO A 18 2.577 -11.372 -0.964 1.00 0.00 N ATOM 247 CA PRO A 18 3.908 -11.926 -0.784 1.00 0.00 C ATOM 248 C PRO A 18 4.983 -10.895 -1.138 1.00 0.00 C ATOM 249 O PRO A 18 5.494 -10.199 -0.262 1.00 0.00 O ATOM 250 CB PRO A 18 3.948 -13.154 -1.679 1.00 0.00 C ATOM 251 CG PRO A 18 2.810 -12.983 -2.673 1.00 0.00 C ATOM 252 CD PRO A 18 1.909 -11.871 -2.160 1.00 0.00 C ATOM 0 HA PRO A 18 4.114 -12.197 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.906 -13.232 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.823 -14.066 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.199 -12.735 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.250 -13.912 -2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.790 -11.084 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.912 -12.245 -1.929 1.00 0.00 H new ATOM 260 N ALA A 19 5.292 -10.829 -2.425 1.00 0.00 N ATOM 261 CA ALA A 19 6.297 -9.895 -2.905 1.00 0.00 C ATOM 262 C ALA A 19 5.648 -8.528 -3.132 1.00 0.00 C ATOM 263 O ALA A 19 5.830 -7.918 -4.184 1.00 0.00 O ATOM 264 CB ALA A 19 6.946 -10.451 -4.174 1.00 0.00 C ATOM 0 H ALA A 19 4.865 -11.406 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 19 7.087 -9.766 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.700 -9.751 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.417 -11.409 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.184 -10.590 -4.941 1.00 0.00 H new ATOM 270 N ALA A 20 4.906 -8.087 -2.128 1.00 0.00 N ATOM 271 CA ALA A 20 4.228 -6.803 -2.205 1.00 0.00 C ATOM 272 C ALA A 20 5.084 -5.738 -1.515 1.00 0.00 C ATOM 273 O ALA A 20 5.871 -6.052 -0.624 1.00 0.00 O ATOM 274 CB ALA A 20 2.835 -6.924 -1.585 1.00 0.00 C ATOM 0 H ALA A 20 4.759 -8.595 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 20 4.097 -6.499 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.326 -5.962 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.258 -7.672 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.926 -7.224 -0.541 1.00 0.00 H new ATOM 280 N THR A 21 4.900 -4.501 -1.953 1.00 0.00 N ATOM 281 CA THR A 21 5.644 -3.389 -1.389 1.00 0.00 C ATOM 282 C THR A 21 4.764 -2.139 -1.320 1.00 0.00 C ATOM 283 O THR A 21 4.186 -1.726 -2.324 1.00 0.00 O ATOM 284 CB THR A 21 6.911 -3.195 -2.225 1.00 0.00 C ATOM 285 OG1 THR A 21 7.969 -3.544 -1.336 1.00 0.00 O ATOM 286 CG2 THR A 21 7.173 -1.726 -2.558 1.00 0.00 C ATOM 0 H THR A 21 4.246 -4.245 -2.693 1.00 0.00 H new ATOM 0 HA THR A 21 5.944 -3.594 -0.361 1.00 0.00 H new ATOM 0 HB THR A 21 6.828 -3.767 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.829 -3.448 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.083 -1.644 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.332 -1.326 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.290 -1.159 -1.635 1.00 0.00 H new ATOM 294 N CYS A 22 4.691 -1.570 -0.125 1.00 0.00 N ATOM 295 CA CYS A 22 3.892 -0.375 0.088 1.00 0.00 C ATOM 296 C CYS A 22 4.415 0.723 -0.839 1.00 0.00 C ATOM 297 O CYS A 22 5.281 1.506 -0.453 1.00 0.00 O ATOM 298 CB CYS A 22 3.905 0.059 1.553 1.00 0.00 C ATOM 299 SG CYS A 22 3.075 1.656 1.887 1.00 0.00 S ATOM 0 H CYS A 22 5.172 -1.915 0.706 1.00 0.00 H new ATOM 0 HA CYS A 22 2.849 -0.583 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.426 -0.716 2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.940 0.126 1.888 1.00 0.00 H new ATOM 304 N TYR A 23 3.867 0.746 -2.045 1.00 0.00 N ATOM 305 CA TYR A 23 4.267 1.737 -3.031 1.00 0.00 C ATOM 306 C TYR A 23 3.345 2.958 -2.988 1.00 0.00 C ATOM 307 O TYR A 23 2.129 2.817 -2.874 1.00 0.00 O ATOM 308 CB TYR A 23 4.129 1.056 -4.394 1.00 0.00 C ATOM 309 CG TYR A 23 4.981 1.689 -5.495 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.351 1.532 -5.482 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.378 2.416 -6.501 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.154 2.128 -6.520 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.181 3.012 -7.539 1.00 0.00 C ATOM 314 CZ TYR A 23 6.529 2.839 -7.497 1.00 0.00 C ATOM 315 OH TYR A 23 7.286 3.401 -8.475 1.00 0.00 O ATOM 0 H TYR A 23 3.149 0.094 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 23 5.283 2.082 -2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.405 0.006 -4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.083 1.083 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.822 0.963 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.305 2.538 -6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.228 2.013 -6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.722 3.583 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 23 7.016 3.041 -9.345 1.00 0.00 H new ATOM 325 N CYS A 24 3.960 4.127 -3.079 1.00 0.00 N ATOM 326 CA CYS A 24 3.210 5.371 -3.053 1.00 0.00 C ATOM 327 C CYS A 24 3.606 6.197 -4.278 1.00 0.00 C ATOM 328 O CYS A 24 4.781 6.507 -4.469 1.00 0.00 O ATOM 329 CB CYS A 24 3.436 6.140 -1.749 1.00 0.00 C ATOM 330 SG CYS A 24 4.036 5.121 -0.352 1.00 0.00 S ATOM 0 H CYS A 24 4.970 4.239 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 24 2.142 5.156 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.155 6.938 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.500 6.616 -1.457 1.00 0.00 H new ATOM 335 N ARG A 25 2.602 6.531 -5.077 1.00 0.00 N ATOM 336 CA ARG A 25 2.831 7.316 -6.278 1.00 0.00 C ATOM 337 C ARG A 25 3.337 8.711 -5.911 1.00 0.00 C ATOM 338 O ARG A 25 4.061 9.336 -6.686 1.00 0.00 O ATOM 339 CB ARG A 25 1.549 7.446 -7.103 1.00 0.00 C ATOM 340 CG ARG A 25 1.783 7.006 -8.550 1.00 0.00 C ATOM 341 CD ARG A 25 3.093 7.578 -9.093 1.00 0.00 C ATOM 342 NE ARG A 25 4.151 6.544 -9.053 1.00 0.00 N ATOM 343 CZ ARG A 25 5.240 6.553 -9.834 1.00 0.00 C ATOM 344 NH1 ARG A 25 5.420 7.539 -10.722 1.00 0.00 N ATOM 345 NH2 ARG A 25 6.148 5.573 -9.728 1.00 0.00 N ATOM 0 H ARG A 25 1.629 6.272 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 25 3.583 6.799 -6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.762 6.838 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.203 8.480 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.808 5.918 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.952 7.337 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.951 7.926 -10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.395 8.442 -8.502 1.00 0.00 H new ATOM 0 HE ARG A 25 4.045 5.777 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.728 8.284 -10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.249 7.545 -11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.010 4.821 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.977 5.579 -10.322 1.00 0.00 H new ATOM 359 N PHE A 26 2.937 9.161 -4.732 1.00 0.00 N ATOM 360 CA PHE A 26 3.342 10.472 -4.253 1.00 0.00 C ATOM 361 C PHE A 26 3.851 10.397 -2.812 1.00 0.00 C ATOM 362 O PHE A 26 4.115 9.310 -2.299 1.00 0.00 O ATOM 363 CB PHE A 26 2.102 11.367 -4.298 1.00 0.00 C ATOM 364 CG PHE A 26 2.274 12.628 -5.147 1.00 0.00 C ATOM 365 CD1 PHE A 26 3.493 13.227 -5.233 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.210 13.151 -5.813 1.00 0.00 C ATOM 367 CE1 PHE A 26 3.654 14.399 -6.021 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.371 14.322 -6.600 1.00 0.00 C ATOM 369 CZ PHE A 26 2.589 14.921 -6.687 1.00 0.00 C ATOM 0 H PHE A 26 2.336 8.641 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 26 4.148 10.862 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.264 10.790 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.841 11.659 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.338 12.812 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.243 12.676 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.621 14.875 -6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.526 14.737 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.711 15.812 -7.285 1.00 0.00 H new ATOM 379 N PHE A 27 3.972 11.566 -2.200 1.00 0.00 N ATOM 380 CA PHE A 27 4.443 11.647 -0.828 1.00 0.00 C ATOM 381 C PHE A 27 3.323 11.312 0.158 1.00 0.00 C ATOM 382 O PHE A 27 3.501 10.483 1.049 1.00 0.00 O ATOM 383 CB PHE A 27 4.898 13.089 -0.595 1.00 0.00 C ATOM 384 CG PHE A 27 6.239 13.210 0.130 1.00 0.00 C ATOM 385 CD1 PHE A 27 7.399 13.174 -0.575 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.269 13.355 1.483 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.645 13.285 0.099 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.513 13.468 2.157 1.00 0.00 C ATOM 389 CZ PHE A 27 8.675 13.430 1.450 1.00 0.00 C ATOM 0 H PHE A 27 3.752 12.465 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 27 5.253 10.935 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.970 13.596 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.136 13.610 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.375 13.061 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.346 13.384 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.567 13.254 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.537 13.584 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.622 13.515 1.963 1.00 0.00 H new ATOM 399 N ASN A 28 2.190 11.973 -0.036 1.00 0.00 N ATOM 400 CA ASN A 28 1.040 11.756 0.826 1.00 0.00 C ATOM 401 C ASN A 28 -0.242 11.938 0.012 1.00 0.00 C ATOM 402 O ASN A 28 -0.925 12.953 0.141 1.00 0.00 O ATOM 403 CB ASN A 28 1.017 12.763 1.977 1.00 0.00 C ATOM 404 CG ASN A 28 0.452 12.128 3.250 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.171 11.605 4.085 1.00 0.00 O ATOM 406 ND2 ASN A 28 -0.872 12.204 3.350 1.00 0.00 N ATOM 0 H ASN A 28 2.044 12.659 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 28 1.108 10.747 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.027 13.128 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.413 13.626 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.345 11.810 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.414 12.656 2.614 1.00 0.00 H new ATOM 413 N ALA A 29 -0.531 10.938 -0.808 1.00 0.00 N ATOM 414 CA ALA A 29 -1.720 10.975 -1.642 1.00 0.00 C ATOM 415 C ALA A 29 -2.134 9.545 -1.996 1.00 0.00 C ATOM 416 O ALA A 29 -3.286 9.162 -1.800 1.00 0.00 O ATOM 417 CB ALA A 29 -1.447 11.826 -2.883 1.00 0.00 C ATOM 0 H ALA A 29 0.038 10.098 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.550 11.436 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.339 11.854 -3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.186 12.840 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.621 11.392 -3.447 1.00 0.00 H new ATOM 423 N PHE A 30 -1.171 8.795 -2.512 1.00 0.00 N ATOM 424 CA PHE A 30 -1.421 7.416 -2.895 1.00 0.00 C ATOM 425 C PHE A 30 -0.314 6.494 -2.380 1.00 0.00 C ATOM 426 O PHE A 30 0.835 6.598 -2.808 1.00 0.00 O ATOM 427 CB PHE A 30 -1.434 7.372 -4.424 1.00 0.00 C ATOM 428 CG PHE A 30 -2.784 7.737 -5.045 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.304 8.981 -4.861 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.465 6.818 -5.783 1.00 0.00 C ATOM 431 CE1 PHE A 30 -4.557 9.319 -5.436 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.718 7.156 -6.358 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.237 8.400 -6.174 1.00 0.00 C ATOM 0 H PHE A 30 -0.217 9.116 -2.674 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.366 7.078 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.674 8.055 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.154 6.371 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.763 9.711 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.052 5.831 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.971 10.306 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.259 6.426 -6.941 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.189 8.658 -6.614 1.00 0.00 H new ATOM 443 N CYS A 31 -0.697 5.613 -1.468 1.00 0.00 N ATOM 444 CA CYS A 31 0.249 4.674 -0.889 1.00 0.00 C ATOM 445 C CYS A 31 -0.502 3.387 -0.541 1.00 0.00 C ATOM 446 O CYS A 31 -1.375 3.390 0.325 1.00 0.00 O ATOM 447 CB CYS A 31 0.961 5.266 0.327 1.00 0.00 C ATOM 448 SG CYS A 31 2.562 4.478 0.739 1.00 0.00 S ATOM 0 H CYS A 31 -1.650 5.529 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 31 1.033 4.451 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.130 6.328 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.301 5.188 1.191 1.00 0.00 H new ATOM 453 N TYR A 32 -0.137 2.320 -1.237 1.00 0.00 N ATOM 454 CA TYR A 32 -0.766 1.030 -1.012 1.00 0.00 C ATOM 455 C TYR A 32 0.228 -0.111 -1.235 1.00 0.00 C ATOM 456 O TYR A 32 1.382 0.127 -1.590 1.00 0.00 O ATOM 457 CB TYR A 32 -1.888 0.923 -2.045 1.00 0.00 C ATOM 458 CG TYR A 32 -1.749 1.894 -3.219 1.00 0.00 C ATOM 459 CD1 TYR A 32 -2.274 3.168 -3.126 1.00 0.00 C ATOM 460 CD2 TYR A 32 -1.099 1.497 -4.370 1.00 0.00 C ATOM 461 CE1 TYR A 32 -2.143 4.082 -4.232 1.00 0.00 C ATOM 462 CE2 TYR A 32 -0.968 2.412 -5.474 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.497 3.658 -5.351 1.00 0.00 C ATOM 464 OH TYR A 32 -1.373 4.522 -6.394 1.00 0.00 O ATOM 0 H TYR A 32 0.586 2.323 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.132 0.954 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.916 -0.096 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.842 1.103 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.782 3.479 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.689 0.501 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.549 5.081 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.461 2.115 -6.380 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.889 4.085 -7.125 1.00 0.00 H new ATOM 474 N CYS A 33 -0.254 -1.325 -1.020 1.00 0.00 N ATOM 475 CA CYS A 33 0.577 -2.504 -1.195 1.00 0.00 C ATOM 476 C CYS A 33 0.732 -2.766 -2.693 1.00 0.00 C ATOM 477 O CYS A 33 -0.233 -2.668 -3.448 1.00 0.00 O ATOM 478 CB CYS A 33 0.001 -3.717 -0.461 1.00 0.00 C ATOM 479 SG CYS A 33 0.292 -3.730 1.346 1.00 0.00 S ATOM 0 H CYS A 33 -1.211 -1.519 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 33 1.558 -2.327 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.073 -3.757 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.431 -4.622 -0.891 1.00 0.00 H new ATOM 484 N ARG A 34 1.956 -3.092 -3.081 1.00 0.00 N ATOM 485 CA ARG A 34 2.251 -3.368 -4.478 1.00 0.00 C ATOM 486 C ARG A 34 3.052 -4.665 -4.605 1.00 0.00 C ATOM 487 O ARG A 34 4.281 -4.641 -4.607 1.00 0.00 O ATOM 488 CB ARG A 34 3.044 -2.222 -5.109 1.00 0.00 C ATOM 489 CG ARG A 34 2.556 -1.936 -6.530 1.00 0.00 C ATOM 490 CD ARG A 34 3.590 -2.381 -7.566 1.00 0.00 C ATOM 491 NE ARG A 34 2.912 -3.021 -8.716 1.00 0.00 N ATOM 492 CZ ARG A 34 2.575 -4.319 -8.762 1.00 0.00 C ATOM 493 NH1 ARG A 34 2.852 -5.120 -7.726 1.00 0.00 N ATOM 494 NH2 ARG A 34 1.961 -4.812 -9.848 1.00 0.00 N ATOM 0 H ARG A 34 2.756 -3.171 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 34 1.302 -3.471 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.942 -1.325 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.104 -2.476 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.614 -2.455 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.359 -0.870 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.169 -1.522 -7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.293 -3.080 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 34 2.687 -2.439 -9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.319 -4.744 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.596 -6.107 -7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.751 -4.200 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.704 -5.798 -9.885 1.00 0.00 H new