USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 241 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 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 27 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 80:sc= -3.75! USER MOD Single : A 14 HIS : no HD1:sc= -0.0858 X(o=-0.086,f=-0.18) USER MOD Single : A 15 ASN : amide:sc= -5.13! K(o=-5.1!,f=-0.92) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 22 ASN : amide:sc= -0.27 K(o=-0.27,f=-6.4!) USER MOD Single : A 23 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 24 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.6) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 18:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 7.091 4.593 -2.119 1.00 0.16 N ATOM 39 CA LEU A 4 6.835 3.289 -1.524 1.00 0.14 C ATOM 40 C LEU A 4 7.917 2.290 -1.922 1.00 0.14 C ATOM 41 O LEU A 4 8.485 2.391 -3.010 1.00 0.17 O ATOM 42 CB LEU A 4 5.470 2.767 -1.976 1.00 0.17 C ATOM 43 CG LEU A 4 4.410 3.839 -2.230 1.00 0.19 C ATOM 44 CD1 LEU A 4 3.587 3.487 -3.460 1.00 0.28 C ATOM 45 CD2 LEU A 4 3.513 4.000 -1.014 1.00 0.23 C ATOM 0 HA LEU A 4 6.843 3.402 -0.440 1.00 0.14 H new ATOM 0 HB2 LEU A 4 5.605 2.190 -2.891 1.00 0.17 H new ATOM 0 HB3 LEU A 4 5.093 2.080 -1.218 1.00 0.17 H new ATOM 0 HG LEU A 4 4.913 4.789 -2.411 1.00 0.19 H new ATOM 0 HD11 LEU A 4 2.836 4.259 -3.629 1.00 0.28 H new ATOM 0 HD12 LEU A 4 4.242 3.421 -4.329 1.00 0.28 H new ATOM 0 HD13 LEU A 4 3.093 2.528 -3.305 1.00 0.28 H new ATOM 0 HD21 LEU A 4 2.765 4.767 -1.213 1.00 0.23 H new ATOM 0 HD22 LEU A 4 3.015 3.054 -0.801 1.00 0.23 H new ATOM 0 HD23 LEU A 4 4.115 4.295 -0.154 1.00 0.23 H new ATOM 57 N PRO A 5 8.200 1.292 -1.061 1.00 0.15 N ATOM 58 CA PRO A 5 9.206 0.263 -1.350 1.00 0.19 C ATOM 59 C PRO A 5 9.010 -0.363 -2.736 1.00 0.18 C ATOM 60 O PRO A 5 7.968 -0.173 -3.364 1.00 0.16 O ATOM 61 CB PRO A 5 8.973 -0.776 -0.252 1.00 0.22 C ATOM 62 CG PRO A 5 8.392 -0.006 0.881 1.00 0.21 C ATOM 63 CD PRO A 5 7.570 1.091 0.262 1.00 0.16 C ATOM 0 HA PRO A 5 10.218 0.668 -1.361 1.00 0.19 H new ATOM 0 HB2 PRO A 5 8.294 -1.560 -0.587 1.00 0.22 H new ATOM 0 HB3 PRO A 5 9.905 -1.263 0.037 1.00 0.22 H new ATOM 0 HG2 PRO A 5 7.775 -0.646 1.512 1.00 0.21 H new ATOM 0 HG3 PRO A 5 9.177 0.406 1.515 1.00 0.21 H new ATOM 0 HD2 PRO A 5 6.523 0.803 0.168 1.00 0.16 H new ATOM 0 HD3 PRO A 5 7.598 2.001 0.862 1.00 0.16 H new ATOM 71 N PRO A 6 10.003 -1.130 -3.231 1.00 0.24 N ATOM 72 CA PRO A 6 9.928 -1.761 -4.557 1.00 0.27 C ATOM 73 C PRO A 6 8.821 -2.810 -4.661 1.00 0.25 C ATOM 74 O PRO A 6 8.730 -3.526 -5.659 1.00 0.41 O ATOM 75 CB PRO A 6 11.301 -2.422 -4.724 1.00 0.38 C ATOM 76 CG PRO A 6 11.823 -2.579 -3.338 1.00 0.38 C ATOM 77 CD PRO A 6 11.288 -1.409 -2.564 1.00 0.29 C ATOM 0 HA PRO A 6 9.691 -1.028 -5.329 1.00 0.27 H new ATOM 0 HB2 PRO A 6 11.217 -3.386 -5.226 1.00 0.38 H new ATOM 0 HB3 PRO A 6 11.965 -1.805 -5.329 1.00 0.38 H new ATOM 0 HG2 PRO A 6 11.493 -3.521 -2.900 1.00 0.38 H new ATOM 0 HG3 PRO A 6 12.913 -2.588 -3.329 1.00 0.38 H new ATOM 0 HD2 PRO A 6 11.152 -1.651 -1.510 1.00 0.29 H new ATOM 0 HD3 PRO A 6 11.961 -0.553 -2.610 1.00 0.29 H new ATOM 85 N GLY A 7 7.975 -2.892 -3.637 1.00 0.31 N ATOM 86 CA GLY A 7 6.892 -3.859 -3.650 1.00 0.29 C ATOM 87 C GLY A 7 5.570 -3.275 -3.184 1.00 0.44 C ATOM 88 O GLY A 7 4.518 -3.882 -3.382 1.00 1.03 O ATOM 0 H GLY A 7 8.020 -2.308 -2.802 1.00 0.31 H new ATOM 0 HA2 GLY A 7 6.774 -4.251 -4.660 1.00 0.29 H new ATOM 0 HA3 GLY A 7 7.156 -4.701 -3.011 1.00 0.29 H new ATOM 92 N TRP A 8 5.621 -2.100 -2.563 1.00 0.14 N ATOM 93 CA TRP A 8 4.417 -1.449 -2.059 1.00 0.09 C ATOM 94 C TRP A 8 3.843 -0.478 -3.085 1.00 0.10 C ATOM 95 O TRP A 8 4.568 0.338 -3.655 1.00 0.18 O ATOM 96 CB TRP A 8 4.727 -0.703 -0.758 1.00 0.13 C ATOM 97 CG TRP A 8 4.784 -1.592 0.447 1.00 0.11 C ATOM 98 CD1 TRP A 8 5.898 -2.157 0.995 1.00 0.11 C ATOM 99 CD2 TRP A 8 3.683 -2.003 1.265 1.00 0.13 C ATOM 100 NE1 TRP A 8 5.559 -2.896 2.097 1.00 0.11 N ATOM 101 CE2 TRP A 8 4.205 -2.814 2.290 1.00 0.11 C ATOM 102 CE3 TRP A 8 2.306 -1.764 1.231 1.00 0.17 C ATOM 103 CZ2 TRP A 8 3.396 -3.400 3.261 1.00 0.13 C ATOM 104 CZ3 TRP A 8 1.506 -2.339 2.200 1.00 0.19 C ATOM 105 CH2 TRP A 8 2.054 -3.147 3.203 1.00 0.16 C ATOM 0 H TRP A 8 6.483 -1.580 -2.397 1.00 0.14 H new ATOM 0 HA TRP A 8 3.673 -2.222 -1.866 1.00 0.09 H new ATOM 0 HB2 TRP A 8 5.682 -0.187 -0.864 1.00 0.13 H new ATOM 0 HB3 TRP A 8 3.967 0.062 -0.598 1.00 0.13 H new ATOM 0 HD1 TRP A 8 6.902 -2.039 0.615 1.00 0.11 H new ATOM 0 HE1 TRP A 8 6.210 -3.423 2.680 1.00 0.11 H new ATOM 0 HE3 TRP A 8 1.875 -1.141 0.461 1.00 0.17 H new ATOM 0 HZ2 TRP A 8 3.814 -4.031 4.031 1.00 0.13 H new ATOM 0 HZ3 TRP A 8 0.441 -2.162 2.183 1.00 0.19 H new ATOM 0 HH2 TRP A 8 1.402 -3.580 3.947 1.00 0.16 H new ATOM 116 N ASP A 9 2.533 -0.560 -3.304 1.00 0.15 N ATOM 117 CA ASP A 9 1.856 0.325 -4.247 1.00 0.16 C ATOM 118 C ASP A 9 0.578 0.890 -3.634 1.00 0.13 C ATOM 119 O ASP A 9 0.056 0.343 -2.664 1.00 0.19 O ATOM 120 CB ASP A 9 1.531 -0.422 -5.541 1.00 0.18 C ATOM 121 CG ASP A 9 0.295 -1.293 -5.417 1.00 1.44 C ATOM 122 OD1 ASP A 9 0.171 -2.004 -4.397 1.00 2.10 O ATOM 123 OD2 ASP A 9 -0.548 -1.263 -6.338 1.00 1.90 O ATOM 0 H ASP A 9 1.919 -1.230 -2.841 1.00 0.15 H new ATOM 0 HA ASP A 9 2.526 1.153 -4.477 1.00 0.16 H new ATOM 0 HB2 ASP A 9 1.384 0.299 -6.345 1.00 0.18 H new ATOM 0 HB3 ASP A 9 2.382 -1.043 -5.821 1.00 0.18 H new ATOM 128 N GLU A 10 0.080 1.984 -4.203 1.00 0.16 N ATOM 129 CA GLU A 10 -1.131 2.625 -3.693 1.00 0.14 C ATOM 130 C GLU A 10 -2.263 2.576 -4.714 1.00 0.13 C ATOM 131 O GLU A 10 -2.058 2.839 -5.900 1.00 0.19 O ATOM 132 CB GLU A 10 -0.850 4.083 -3.313 1.00 0.21 C ATOM 133 CG GLU A 10 0.368 4.675 -4.003 1.00 0.63 C ATOM 134 CD GLU A 10 0.162 6.120 -4.412 1.00 1.07 C ATOM 135 OE1 GLU A 10 -0.679 6.371 -5.301 1.00 1.87 O ATOM 136 OE2 GLU A 10 0.840 7.001 -3.844 1.00 1.53 O ATOM 0 H GLU A 10 0.493 2.445 -5.014 1.00 0.16 H new ATOM 0 HA GLU A 10 -1.441 2.072 -2.806 1.00 0.14 H new ATOM 0 HB2 GLU A 10 -1.724 4.687 -3.558 1.00 0.21 H new ATOM 0 HB3 GLU A 10 -0.711 4.147 -2.234 1.00 0.21 H new ATOM 0 HG2 GLU A 10 1.227 4.609 -3.335 1.00 0.63 H new ATOM 0 HG3 GLU A 10 0.605 4.082 -4.886 1.00 0.63 H new ATOM 143 N TYR A 11 -3.465 2.267 -4.234 1.00 0.15 N ATOM 144 CA TYR A 11 -4.647 2.212 -5.084 1.00 0.23 C ATOM 145 C TYR A 11 -5.909 2.356 -4.244 1.00 0.22 C ATOM 146 O TYR A 11 -5.930 1.968 -3.079 1.00 0.22 O ATOM 147 CB TYR A 11 -4.684 0.900 -5.871 1.00 0.32 C ATOM 148 CG TYR A 11 -4.196 1.030 -7.296 1.00 0.46 C ATOM 149 CD1 TYR A 11 -4.939 1.723 -8.244 1.00 0.61 C ATOM 150 CD2 TYR A 11 -2.993 0.461 -7.694 1.00 0.53 C ATOM 151 CE1 TYR A 11 -4.498 1.844 -9.548 1.00 0.77 C ATOM 152 CE2 TYR A 11 -2.544 0.579 -8.996 1.00 0.69 C ATOM 153 CZ TYR A 11 -3.299 1.270 -9.918 1.00 0.79 C ATOM 154 OH TYR A 11 -2.857 1.389 -11.215 1.00 0.97 O ATOM 0 H TYR A 11 -3.645 2.050 -3.254 1.00 0.15 H new ATOM 0 HA TYR A 11 -4.600 3.039 -5.792 1.00 0.23 H new ATOM 0 HB2 TYR A 11 -4.074 0.159 -5.354 1.00 0.32 H new ATOM 0 HB3 TYR A 11 -5.706 0.521 -5.880 1.00 0.32 H new ATOM 0 HD1 TYR A 11 -5.877 2.175 -7.957 1.00 0.61 H new ATOM 0 HD2 TYR A 11 -2.399 -0.083 -6.974 1.00 0.53 H new ATOM 0 HE1 TYR A 11 -5.088 2.385 -10.273 1.00 0.77 H new ATOM 0 HE2 TYR A 11 -1.606 0.132 -9.289 1.00 0.69 H new ATOM 0 HH TYR A 11 -1.996 0.930 -11.311 1.00 0.97 H new ATOM 164 N LYS A 12 -6.953 2.932 -4.827 1.00 0.25 N ATOM 165 CA LYS A 12 -8.205 3.129 -4.106 1.00 0.28 C ATOM 166 C LYS A 12 -9.186 1.996 -4.384 1.00 0.35 C ATOM 167 O LYS A 12 -9.460 1.667 -5.539 1.00 0.43 O ATOM 168 CB LYS A 12 -8.835 4.470 -4.483 1.00 0.35 C ATOM 169 CG LYS A 12 -8.364 5.631 -3.623 1.00 0.42 C ATOM 170 CD LYS A 12 -9.077 6.922 -3.992 1.00 0.43 C ATOM 171 CE LYS A 12 -8.482 7.551 -5.242 1.00 0.48 C ATOM 172 NZ LYS A 12 -8.693 9.024 -5.276 1.00 1.44 N ATOM 0 H LYS A 12 -6.959 3.269 -5.790 1.00 0.25 H new ATOM 0 HA LYS A 12 -7.978 3.130 -3.040 1.00 0.28 H new ATOM 0 HB2 LYS A 12 -8.608 4.687 -5.527 1.00 0.35 H new ATOM 0 HB3 LYS A 12 -9.919 4.387 -4.403 1.00 0.35 H new ATOM 0 HG2 LYS A 12 -8.543 5.403 -2.572 1.00 0.42 H new ATOM 0 HG3 LYS A 12 -7.288 5.761 -3.743 1.00 0.42 H new ATOM 0 HD2 LYS A 12 -10.136 6.720 -4.154 1.00 0.43 H new ATOM 0 HD3 LYS A 12 -9.010 7.626 -3.162 1.00 0.43 H new ATOM 0 HE2 LYS A 12 -7.414 7.336 -5.284 1.00 0.48 H new ATOM 0 HE3 LYS A 12 -8.933 7.099 -6.126 1.00 0.48 H new ATOM 0 HZ1 LYS A 12 -8.273 9.415 -6.143 1.00 1.44 H new ATOM 0 HZ2 LYS A 12 -9.712 9.229 -5.262 1.00 1.44 H new ATOM 0 HZ3 LYS A 12 -8.241 9.459 -4.446 1.00 1.44 H new ATOM 186 N THR A 13 -9.718 1.410 -3.315 1.00 0.34 N ATOM 187 CA THR A 13 -10.673 0.312 -3.435 1.00 0.43 C ATOM 188 C THR A 13 -12.033 0.813 -3.920 1.00 0.51 C ATOM 189 O THR A 13 -12.141 1.907 -4.474 1.00 0.83 O ATOM 190 CB THR A 13 -10.863 -0.415 -2.090 1.00 0.42 C ATOM 191 OG1 THR A 13 -11.272 0.520 -1.087 1.00 0.73 O ATOM 192 CG2 THR A 13 -9.580 -1.104 -1.657 1.00 0.65 C ATOM 0 H THR A 13 -9.504 1.678 -2.354 1.00 0.34 H new ATOM 0 HA THR A 13 -10.262 -0.384 -4.166 1.00 0.43 H new ATOM 0 HB THR A 13 -11.634 -1.175 -2.218 1.00 0.42 H new ATOM 0 HG1 THR A 13 -12.232 0.696 -1.175 1.00 0.73 H new ATOM 0 HG21 THR A 13 -9.742 -1.609 -0.705 1.00 0.65 H new ATOM 0 HG22 THR A 13 -9.287 -1.835 -2.411 1.00 0.65 H new ATOM 0 HG23 THR A 13 -8.789 -0.363 -1.544 1.00 0.65 H new ATOM 200 N HIS A 14 -13.068 0.002 -3.705 1.00 0.48 N ATOM 201 CA HIS A 14 -14.421 0.359 -4.113 1.00 0.51 C ATOM 202 C HIS A 14 -14.872 1.647 -3.435 1.00 0.53 C ATOM 203 O HIS A 14 -15.270 2.604 -4.101 1.00 0.63 O ATOM 204 CB HIS A 14 -15.392 -0.775 -3.771 1.00 0.58 C ATOM 205 CG HIS A 14 -16.017 -1.413 -4.972 1.00 0.72 C ATOM 206 ND1 HIS A 14 -16.542 -0.688 -6.022 1.00 1.22 N ATOM 207 CD2 HIS A 14 -16.199 -2.716 -5.290 1.00 1.56 C ATOM 208 CE1 HIS A 14 -17.021 -1.517 -6.932 1.00 1.54 C ATOM 209 NE2 HIS A 14 -16.825 -2.753 -6.511 1.00 1.84 N ATOM 0 H HIS A 14 -12.992 -0.908 -3.250 1.00 0.48 H new ATOM 0 HA HIS A 14 -14.419 0.518 -5.191 1.00 0.51 H new ATOM 0 HB2 HIS A 14 -14.861 -1.537 -3.201 1.00 0.58 H new ATOM 0 HB3 HIS A 14 -16.180 -0.385 -3.126 1.00 0.58 H new ATOM 0 HD2 HIS A 14 -15.906 -3.568 -4.694 1.00 1.56 H new ATOM 0 HE1 HIS A 14 -17.492 -1.233 -7.861 1.00 1.54 H new ATOM 0 HE2 HIS A 14 -17.095 -3.599 -7.012 1.00 1.84 H new ATOM 218 N ASN A 15 -14.807 1.666 -2.106 1.00 0.55 N ATOM 219 CA ASN A 15 -15.202 2.841 -1.339 1.00 0.63 C ATOM 220 C ASN A 15 -14.318 4.034 -1.692 1.00 0.59 C ATOM 221 O ASN A 15 -14.792 5.167 -1.781 1.00 0.86 O ATOM 222 CB ASN A 15 -15.132 2.543 0.164 1.00 0.73 C ATOM 223 CG ASN A 15 -14.152 3.435 0.902 1.00 1.18 C ATOM 224 OD1 ASN A 15 -14.515 4.504 1.392 1.00 2.09 O ATOM 225 ND2 ASN A 15 -12.901 2.998 0.986 1.00 1.59 N ATOM 0 H ASN A 15 -14.485 0.881 -1.540 1.00 0.55 H new ATOM 0 HA ASN A 15 -16.231 3.092 -1.595 1.00 0.63 H new ATOM 0 HB2 ASN A 15 -16.124 2.665 0.599 1.00 0.73 H new ATOM 0 HB3 ASN A 15 -14.846 1.501 0.309 1.00 0.73 H new ATOM 0 HD21 ASN A 15 -12.198 3.555 1.471 1.00 1.59 H new ATOM 0 HD22 ASN A 15 -12.643 2.105 0.565 1.00 1.59 H new ATOM 232 N GLY A 16 -13.032 3.766 -1.903 1.00 0.35 N ATOM 233 CA GLY A 16 -12.104 4.820 -2.267 1.00 0.31 C ATOM 234 C GLY A 16 -10.943 4.948 -1.304 1.00 0.25 C ATOM 235 O GLY A 16 -10.285 5.989 -1.259 1.00 0.27 O ATOM 0 H GLY A 16 -12.617 2.837 -1.828 1.00 0.35 H new ATOM 0 HA2 GLY A 16 -11.718 4.627 -3.268 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -12.639 5.769 -2.309 1.00 0.31 H new ATOM 239 N LYS A 17 -10.679 3.899 -0.527 1.00 0.22 N ATOM 240 CA LYS A 17 -9.551 3.915 0.389 1.00 0.19 C ATOM 241 C LYS A 17 -8.268 3.643 -0.387 1.00 0.17 C ATOM 242 O LYS A 17 -8.178 2.657 -1.119 1.00 0.19 O ATOM 243 CB LYS A 17 -9.740 2.890 1.521 1.00 0.21 C ATOM 244 CG LYS A 17 -9.313 1.471 1.177 1.00 0.26 C ATOM 245 CD LYS A 17 -9.933 0.461 2.130 1.00 0.54 C ATOM 246 CE LYS A 17 -11.437 0.341 1.930 1.00 0.72 C ATOM 247 NZ LYS A 17 -11.944 -1.005 2.317 1.00 0.95 N ATOM 0 H LYS A 17 -11.227 3.039 -0.516 1.00 0.22 H new ATOM 0 HA LYS A 17 -9.485 4.899 0.853 1.00 0.19 H new ATOM 0 HB2 LYS A 17 -9.175 3.223 2.391 1.00 0.21 H new ATOM 0 HB3 LYS A 17 -10.791 2.878 1.809 1.00 0.21 H new ATOM 0 HG2 LYS A 17 -9.609 1.238 0.154 1.00 0.26 H new ATOM 0 HG3 LYS A 17 -8.226 1.395 1.220 1.00 0.26 H new ATOM 0 HD2 LYS A 17 -9.468 -0.513 1.979 1.00 0.54 H new ATOM 0 HD3 LYS A 17 -9.726 0.758 3.158 1.00 0.54 H new ATOM 0 HE2 LYS A 17 -11.944 1.103 2.522 1.00 0.72 H new ATOM 0 HE3 LYS A 17 -11.681 0.534 0.885 1.00 0.72 H new ATOM 0 HZ1 LYS A 17 -12.972 -1.045 2.166 1.00 0.95 H new ATOM 0 HZ2 LYS A 17 -11.480 -1.731 1.735 1.00 0.95 H new ATOM 0 HZ3 LYS A 17 -11.735 -1.179 3.321 1.00 0.95 H new ATOM 261 N THR A 18 -7.319 4.570 -0.305 1.00 0.18 N ATOM 262 CA THR A 18 -6.050 4.410 -1.001 1.00 0.20 C ATOM 263 C THR A 18 -5.236 3.312 -0.332 1.00 0.16 C ATOM 264 O THR A 18 -4.277 3.581 0.392 1.00 0.23 O ATOM 265 CB THR A 18 -5.235 5.716 -1.022 1.00 0.27 C ATOM 266 OG1 THR A 18 -6.117 6.844 -1.075 1.00 0.34 O ATOM 267 CG2 THR A 18 -4.292 5.745 -2.217 1.00 0.31 C ATOM 0 H THR A 18 -7.404 5.433 0.232 1.00 0.18 H new ATOM 0 HA THR A 18 -6.270 4.140 -2.034 1.00 0.20 H new ATOM 0 HB THR A 18 -4.641 5.763 -0.109 1.00 0.27 H new ATOM 0 HG1 THR A 18 -5.591 7.671 -1.086 1.00 0.34 H new ATOM 0 HG21 THR A 18 -3.726 6.677 -2.212 1.00 0.31 H new ATOM 0 HG22 THR A 18 -3.603 4.902 -2.158 1.00 0.31 H new ATOM 0 HG23 THR A 18 -4.870 5.677 -3.138 1.00 0.31 H new ATOM 275 N TYR A 19 -5.673 2.076 -0.531 1.00 0.12 N ATOM 276 CA TYR A 19 -5.035 0.928 0.083 1.00 0.14 C ATOM 277 C TYR A 19 -3.657 0.669 -0.518 1.00 0.09 C ATOM 278 O TYR A 19 -3.473 0.708 -1.738 1.00 0.13 O ATOM 279 CB TYR A 19 -5.942 -0.310 -0.045 1.00 0.22 C ATOM 280 CG TYR A 19 -5.684 -1.171 -1.265 1.00 0.26 C ATOM 281 CD1 TYR A 19 -6.271 -0.876 -2.488 1.00 0.33 C ATOM 282 CD2 TYR A 19 -4.876 -2.299 -1.182 1.00 0.33 C ATOM 283 CE1 TYR A 19 -6.044 -1.667 -3.599 1.00 0.43 C ATOM 284 CE2 TYR A 19 -4.645 -3.094 -2.289 1.00 0.42 C ATOM 285 CZ TYR A 19 -5.231 -2.774 -3.494 1.00 0.46 C ATOM 286 OH TYR A 19 -5.004 -3.564 -4.597 1.00 0.57 O ATOM 0 H TYR A 19 -6.474 1.846 -1.119 1.00 0.12 H new ATOM 0 HA TYR A 19 -4.887 1.142 1.142 1.00 0.14 H new ATOM 0 HB2 TYR A 19 -5.820 -0.925 0.847 1.00 0.22 H new ATOM 0 HB3 TYR A 19 -6.981 0.020 -0.065 1.00 0.22 H new ATOM 0 HD1 TYR A 19 -6.916 -0.014 -2.573 1.00 0.33 H new ATOM 0 HD2 TYR A 19 -4.421 -2.558 -0.237 1.00 0.33 H new ATOM 0 HE1 TYR A 19 -6.502 -1.418 -4.545 1.00 0.43 H new ATOM 0 HE2 TYR A 19 -4.008 -3.962 -2.210 1.00 0.42 H new ATOM 0 HH TYR A 19 -4.408 -4.303 -4.353 1.00 0.57 H new ATOM 296 N TYR A 20 -2.691 0.441 0.361 1.00 0.12 N ATOM 297 CA TYR A 20 -1.328 0.140 -0.045 1.00 0.13 C ATOM 298 C TYR A 20 -1.080 -1.359 0.082 1.00 0.13 C ATOM 299 O TYR A 20 -1.432 -1.967 1.092 1.00 0.17 O ATOM 300 CB TYR A 20 -0.330 0.919 0.814 1.00 0.19 C ATOM 301 CG TYR A 20 -0.662 2.389 0.949 1.00 0.19 C ATOM 302 CD1 TYR A 20 -1.489 2.845 1.968 1.00 0.21 C ATOM 303 CD2 TYR A 20 -0.142 3.321 0.060 1.00 0.21 C ATOM 304 CE1 TYR A 20 -1.789 4.188 2.097 1.00 0.25 C ATOM 305 CE2 TYR A 20 -0.438 4.666 0.182 1.00 0.24 C ATOM 306 CZ TYR A 20 -1.263 5.093 1.200 1.00 0.26 C ATOM 307 OH TYR A 20 -1.560 6.431 1.324 1.00 0.32 O ATOM 0 H TYR A 20 -2.830 0.460 1.371 1.00 0.12 H new ATOM 0 HA TYR A 20 -1.190 0.440 -1.084 1.00 0.13 H new ATOM 0 HB2 TYR A 20 -0.292 0.471 1.807 1.00 0.19 H new ATOM 0 HB3 TYR A 20 0.665 0.819 0.381 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -1.904 2.138 2.671 1.00 0.21 H new ATOM 0 HD2 TYR A 20 0.504 2.990 -0.740 1.00 0.21 H new ATOM 0 HE1 TYR A 20 -2.432 4.526 2.896 1.00 0.25 H new ATOM 0 HE2 TYR A 20 -0.025 5.378 -0.517 1.00 0.24 H new ATOM 0 HH TYR A 20 -1.109 6.933 0.614 1.00 0.32 H new ATOM 317 N TYR A 21 -0.521 -1.960 -0.960 1.00 0.11 N ATOM 318 CA TYR A 21 -0.304 -3.401 -0.969 1.00 0.11 C ATOM 319 C TYR A 21 1.105 -3.770 -1.421 1.00 0.09 C ATOM 320 O TYR A 21 1.646 -3.183 -2.360 1.00 0.13 O ATOM 321 CB TYR A 21 -1.333 -4.072 -1.885 1.00 0.16 C ATOM 322 CG TYR A 21 -1.148 -5.567 -2.032 1.00 0.15 C ATOM 323 CD1 TYR A 21 -1.311 -6.415 -0.943 1.00 0.23 C ATOM 324 CD2 TYR A 21 -0.801 -6.128 -3.253 1.00 0.23 C ATOM 325 CE1 TYR A 21 -1.141 -7.780 -1.070 1.00 0.26 C ATOM 326 CE2 TYR A 21 -0.630 -7.493 -3.389 1.00 0.23 C ATOM 327 CZ TYR A 21 -0.817 -8.315 -2.306 1.00 0.20 C ATOM 328 OH TYR A 21 -0.629 -9.673 -2.426 1.00 0.24 O ATOM 0 H TYR A 21 -0.212 -1.477 -1.804 1.00 0.11 H new ATOM 0 HA TYR A 21 -0.423 -3.757 0.054 1.00 0.11 H new ATOM 0 HB2 TYR A 21 -2.332 -3.877 -1.495 1.00 0.16 H new ATOM 0 HB3 TYR A 21 -1.280 -3.611 -2.872 1.00 0.16 H new ATOM 0 HD1 TYR A 21 -1.575 -6.000 0.018 1.00 0.23 H new ATOM 0 HD2 TYR A 21 -0.662 -5.487 -4.111 1.00 0.23 H new ATOM 0 HE1 TYR A 21 -1.260 -8.425 -0.212 1.00 0.26 H new ATOM 0 HE2 TYR A 21 -0.350 -7.911 -4.345 1.00 0.23 H new ATOM 0 HH TYR A 21 -0.408 -9.892 -3.355 1.00 0.24 H new ATOM 338 N ASN A 22 1.671 -4.775 -0.760 1.00 0.09 N ATOM 339 CA ASN A 22 2.991 -5.286 -1.104 1.00 0.11 C ATOM 340 C ASN A 22 2.870 -6.668 -1.732 1.00 0.08 C ATOM 341 O ASN A 22 2.349 -7.594 -1.108 1.00 0.11 O ATOM 342 CB ASN A 22 3.878 -5.363 0.138 1.00 0.19 C ATOM 343 CG ASN A 22 5.347 -5.524 -0.207 1.00 0.31 C ATOM 344 OD1 ASN A 22 5.712 -5.650 -1.375 1.00 0.83 O ATOM 345 ND2 ASN A 22 6.198 -5.522 0.812 1.00 1.06 N ATOM 0 H ASN A 22 1.230 -5.255 0.024 1.00 0.09 H new ATOM 0 HA ASN A 22 3.447 -4.603 -1.820 1.00 0.11 H new ATOM 0 HB2 ASN A 22 3.745 -4.459 0.733 1.00 0.19 H new ATOM 0 HB3 ASN A 22 3.559 -6.202 0.757 1.00 0.19 H new ATOM 0 HD21 ASN A 22 7.198 -5.628 0.641 1.00 1.06 H new ATOM 0 HD22 ASN A 22 5.852 -5.415 1.765 1.00 1.06 H new ATOM 352 N HIS A 23 3.341 -6.797 -2.969 1.00 0.12 N ATOM 353 CA HIS A 23 3.262 -8.059 -3.692 1.00 0.14 C ATOM 354 C HIS A 23 4.474 -8.941 -3.407 1.00 0.14 C ATOM 355 O HIS A 23 4.578 -10.053 -3.925 1.00 0.25 O ATOM 356 CB HIS A 23 3.147 -7.808 -5.200 1.00 0.19 C ATOM 357 CG HIS A 23 2.957 -6.370 -5.575 1.00 0.37 C ATOM 358 ND1 HIS A 23 1.990 -5.566 -5.010 1.00 0.26 N ATOM 359 CD2 HIS A 23 3.611 -5.593 -6.473 1.00 0.96 C ATOM 360 CE1 HIS A 23 2.060 -4.356 -5.538 1.00 0.40 C ATOM 361 NE2 HIS A 23 3.035 -4.348 -6.427 1.00 0.94 N ATOM 0 H HIS A 23 3.782 -6.040 -3.491 1.00 0.12 H new ATOM 0 HA HIS A 23 2.370 -8.580 -3.345 1.00 0.14 H new ATOM 0 HB2 HIS A 23 4.047 -8.182 -5.688 1.00 0.19 H new ATOM 0 HB3 HIS A 23 2.309 -8.386 -5.589 1.00 0.19 H new ATOM 0 HD1 HIS A 23 1.324 -5.859 -4.295 1.00 0.26 H new ATOM 0 HD2 HIS A 23 4.432 -5.897 -7.106 1.00 0.96 H new ATOM 0 HE1 HIS A 23 1.428 -3.518 -5.285 1.00 0.40 H new ATOM 370 N ASN A 24 5.389 -8.442 -2.579 1.00 0.15 N ATOM 371 CA ASN A 24 6.585 -9.197 -2.223 1.00 0.19 C ATOM 372 C ASN A 24 6.353 -10.006 -0.953 1.00 0.19 C ATOM 373 O ASN A 24 6.987 -11.039 -0.737 1.00 0.21 O ATOM 374 CB ASN A 24 7.772 -8.253 -2.021 1.00 0.25 C ATOM 375 CG ASN A 24 8.103 -7.458 -3.267 1.00 0.28 C ATOM 376 OD1 ASN A 24 7.787 -7.867 -4.384 1.00 0.30 O ATOM 377 ND2 ASN A 24 8.749 -6.313 -3.079 1.00 0.34 N ATOM 0 H ASN A 24 5.325 -7.522 -2.144 1.00 0.15 H new ATOM 0 HA ASN A 24 6.808 -9.882 -3.041 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.550 -7.566 -1.204 1.00 0.25 H new ATOM 0 HB3 ASN A 24 8.645 -8.832 -1.722 1.00 0.25 H new ATOM 0 HD21 ASN A 24 9.003 -5.734 -3.879 1.00 0.34 H new ATOM 0 HD22 ASN A 24 8.991 -6.013 -2.135 1.00 0.34 H new ATOM 384 N THR A 25 5.449 -9.518 -0.113 1.00 0.17 N ATOM 385 CA THR A 25 5.128 -10.185 1.141 1.00 0.21 C ATOM 386 C THR A 25 3.620 -10.321 1.308 1.00 0.17 C ATOM 387 O THR A 25 3.136 -10.712 2.371 1.00 0.20 O ATOM 388 CB THR A 25 5.705 -9.419 2.347 1.00 0.26 C ATOM 389 OG1 THR A 25 4.884 -8.283 2.643 1.00 0.24 O ATOM 390 CG2 THR A 25 7.129 -8.961 2.069 1.00 0.33 C ATOM 0 H THR A 25 4.924 -8.660 -0.279 1.00 0.17 H new ATOM 0 HA THR A 25 5.580 -11.176 1.105 1.00 0.21 H new ATOM 0 HB THR A 25 5.718 -10.093 3.204 1.00 0.26 H new ATOM 0 HG1 THR A 25 5.256 -7.802 3.412 1.00 0.24 H new ATOM 0 HG21 THR A 25 7.514 -8.423 2.935 1.00 0.33 H new ATOM 0 HG22 THR A 25 7.758 -9.829 1.872 1.00 0.33 H new ATOM 0 HG23 THR A 25 7.136 -8.303 1.200 1.00 0.33 H new ATOM 398 N LYS A 26 2.886 -9.996 0.244 1.00 0.13 N ATOM 399 CA LYS A 26 1.429 -10.074 0.255 1.00 0.12 C ATOM 400 C LYS A 26 0.857 -9.377 1.486 1.00 0.11 C ATOM 401 O LYS A 26 0.312 -10.023 2.381 1.00 0.15 O ATOM 402 CB LYS A 26 0.973 -11.536 0.212 1.00 0.17 C ATOM 403 CG LYS A 26 1.928 -12.455 -0.538 1.00 0.21 C ATOM 404 CD LYS A 26 2.062 -12.054 -2.000 1.00 0.46 C ATOM 405 CE LYS A 26 2.238 -13.270 -2.895 1.00 0.65 C ATOM 406 NZ LYS A 26 1.506 -13.123 -4.184 1.00 1.29 N ATOM 0 H LYS A 26 3.281 -9.675 -0.640 1.00 0.13 H new ATOM 0 HA LYS A 26 1.054 -9.563 -0.632 1.00 0.12 H new ATOM 0 HB2 LYS A 26 0.858 -11.901 1.233 1.00 0.17 H new ATOM 0 HB3 LYS A 26 -0.009 -11.587 -0.257 1.00 0.17 H new ATOM 0 HG2 LYS A 26 2.908 -12.428 -0.062 1.00 0.21 H new ATOM 0 HG3 LYS A 26 1.570 -13.483 -0.474 1.00 0.21 H new ATOM 0 HD2 LYS A 26 1.177 -11.498 -2.309 1.00 0.46 H new ATOM 0 HD3 LYS A 26 2.915 -11.386 -2.119 1.00 0.46 H new ATOM 0 HE2 LYS A 26 3.299 -13.423 -3.095 1.00 0.65 H new ATOM 0 HE3 LYS A 26 1.881 -14.159 -2.374 1.00 0.65 H new ATOM 0 HZ1 LYS A 26 1.652 -13.973 -4.765 1.00 1.29 H new ATOM 0 HZ2 LYS A 26 0.490 -13.003 -3.995 1.00 1.29 H new ATOM 0 HZ3 LYS A 26 1.864 -12.290 -4.693 1.00 1.29 H new ATOM 420 N THR A 27 0.998 -8.055 1.529 1.00 0.08 N ATOM 421 CA THR A 27 0.513 -7.274 2.663 1.00 0.10 C ATOM 422 C THR A 27 -0.387 -6.127 2.216 1.00 0.11 C ATOM 423 O THR A 27 0.079 -5.154 1.624 1.00 0.14 O ATOM 424 CB THR A 27 1.680 -6.707 3.494 1.00 0.13 C ATOM 425 OG1 THR A 27 2.577 -7.761 3.859 1.00 0.20 O ATOM 426 CG2 THR A 27 1.167 -6.015 4.746 1.00 0.12 C ATOM 0 H THR A 27 1.442 -7.504 0.795 1.00 0.08 H new ATOM 0 HA THR A 27 -0.070 -7.957 3.282 1.00 0.10 H new ATOM 0 HB THR A 27 2.209 -5.974 2.885 1.00 0.13 H new ATOM 0 HG1 THR A 27 3.279 -7.843 3.180 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.009 -5.623 5.316 1.00 0.12 H new ATOM 0 HG22 THR A 27 0.507 -5.195 4.464 1.00 0.12 H new ATOM 0 HG23 THR A 27 0.616 -6.730 5.357 1.00 0.12 H new ATOM 434 N SER A 28 -1.676 -6.239 2.523 1.00 0.10 N ATOM 435 CA SER A 28 -2.642 -5.205 2.167 1.00 0.13 C ATOM 436 C SER A 28 -3.083 -4.427 3.403 1.00 0.12 C ATOM 437 O SER A 28 -3.470 -5.015 4.413 1.00 0.19 O ATOM 438 CB SER A 28 -3.860 -5.827 1.480 1.00 0.16 C ATOM 439 OG SER A 28 -4.628 -6.591 2.395 1.00 1.05 O ATOM 0 H SER A 28 -2.076 -7.036 3.018 1.00 0.10 H new ATOM 0 HA SER A 28 -2.159 -4.514 1.476 1.00 0.13 H new ATOM 0 HB2 SER A 28 -4.479 -5.040 1.049 1.00 0.16 H new ATOM 0 HB3 SER A 28 -3.532 -6.462 0.657 1.00 0.16 H new ATOM 0 HG SER A 28 -4.395 -6.335 3.312 1.00 1.05 H new ATOM 445 N THR A 29 -3.018 -3.101 3.318 1.00 0.13 N ATOM 446 CA THR A 29 -3.399 -2.243 4.434 1.00 0.15 C ATOM 447 C THR A 29 -3.628 -0.808 3.966 1.00 0.17 C ATOM 448 O THR A 29 -3.000 -0.357 3.011 1.00 0.34 O ATOM 449 CB THR A 29 -2.321 -2.255 5.539 1.00 0.20 C ATOM 450 OG1 THR A 29 -2.893 -1.836 6.785 1.00 0.27 O ATOM 451 CG2 THR A 29 -1.151 -1.349 5.181 1.00 0.26 C ATOM 0 H THR A 29 -2.705 -2.598 2.488 1.00 0.13 H new ATOM 0 HA THR A 29 -4.329 -2.638 4.843 1.00 0.15 H new ATOM 0 HB THR A 29 -1.947 -3.274 5.632 1.00 0.20 H new ATOM 0 HG1 THR A 29 -2.204 -1.848 7.482 1.00 0.27 H new ATOM 0 HG21 THR A 29 -0.409 -1.380 5.979 1.00 0.26 H new ATOM 0 HG22 THR A 29 -0.697 -1.691 4.251 1.00 0.26 H new ATOM 0 HG23 THR A 29 -1.507 -0.327 5.056 1.00 0.26 H new ATOM 459 N TRP A 30 -4.521 -0.091 4.644 1.00 0.14 N ATOM 460 CA TRP A 30 -4.803 1.296 4.286 1.00 0.14 C ATOM 461 C TRP A 30 -3.712 2.214 4.826 1.00 0.14 C ATOM 462 O TRP A 30 -3.687 3.408 4.528 1.00 0.19 O ATOM 463 CB TRP A 30 -6.174 1.756 4.806 1.00 0.16 C ATOM 464 CG TRP A 30 -7.119 0.645 5.165 1.00 0.18 C ATOM 465 CD1 TRP A 30 -7.858 0.550 6.307 1.00 0.30 C ATOM 466 CD2 TRP A 30 -7.462 -0.499 4.371 1.00 0.23 C ATOM 467 NE1 TRP A 30 -8.623 -0.591 6.284 1.00 0.40 N ATOM 468 CE2 TRP A 30 -8.396 -1.254 5.106 1.00 0.36 C ATOM 469 CE3 TRP A 30 -7.055 -0.968 3.121 1.00 0.25 C ATOM 470 CZ2 TRP A 30 -8.933 -2.446 4.627 1.00 0.47 C ATOM 471 CZ3 TRP A 30 -7.589 -2.151 2.644 1.00 0.37 C ATOM 472 CH2 TRP A 30 -8.520 -2.879 3.397 1.00 0.46 C ATOM 0 H TRP A 30 -5.057 -0.443 5.437 1.00 0.14 H new ATOM 0 HA TRP A 30 -4.822 1.352 3.198 1.00 0.14 H new ATOM 0 HB2 TRP A 30 -6.022 2.382 5.685 1.00 0.16 H new ATOM 0 HB3 TRP A 30 -6.643 2.382 4.047 1.00 0.16 H new ATOM 0 HD1 TRP A 30 -7.844 1.268 7.113 1.00 0.30 H new ATOM 0 HE1 TRP A 30 -9.257 -0.895 7.023 1.00 0.40 H new ATOM 0 HE3 TRP A 30 -6.335 -0.416 2.536 1.00 0.25 H new ATOM 0 HZ2 TRP A 30 -9.650 -3.009 5.206 1.00 0.47 H new ATOM 0 HZ3 TRP A 30 -7.284 -2.520 1.676 1.00 0.37 H new ATOM 0 HH2 TRP A 30 -8.919 -3.800 2.998 1.00 0.46 H new ATOM 483 N THR A 31 -2.806 1.645 5.618 1.00 0.14 N ATOM 484 CA THR A 31 -1.702 2.409 6.187 1.00 0.19 C ATOM 485 C THR A 31 -0.562 2.540 5.196 1.00 0.15 C ATOM 486 O THR A 31 -0.262 1.616 4.440 1.00 0.15 O ATOM 487 CB THR A 31 -1.160 1.769 7.476 1.00 0.28 C ATOM 488 OG1 THR A 31 -2.234 1.198 8.233 1.00 0.32 O ATOM 489 CG2 THR A 31 -0.423 2.798 8.319 1.00 0.36 C ATOM 0 H THR A 31 -2.816 0.659 5.879 1.00 0.14 H new ATOM 0 HA THR A 31 -2.103 3.394 6.424 1.00 0.19 H new ATOM 0 HB THR A 31 -0.459 0.981 7.199 1.00 0.28 H new ATOM 0 HG1 THR A 31 -1.878 0.792 9.051 1.00 0.32 H new ATOM 0 HG21 THR A 31 -0.048 2.324 9.226 1.00 0.36 H new ATOM 0 HG22 THR A 31 0.413 3.204 7.749 1.00 0.36 H new ATOM 0 HG23 THR A 31 -1.105 3.605 8.587 1.00 0.36 H new ATOM 497 N ASP A 32 0.070 3.700 5.218 1.00 0.19 N ATOM 498 CA ASP A 32 1.178 3.992 4.330 1.00 0.19 C ATOM 499 C ASP A 32 2.363 3.066 4.602 1.00 0.15 C ATOM 500 O ASP A 32 2.747 2.863 5.752 1.00 0.23 O ATOM 501 CB ASP A 32 1.599 5.446 4.508 1.00 0.25 C ATOM 502 CG ASP A 32 1.485 5.913 5.946 1.00 1.42 C ATOM 503 OD1 ASP A 32 2.133 5.303 6.822 1.00 2.10 O ATOM 504 OD2 ASP A 32 0.747 6.889 6.197 1.00 2.13 O ATOM 0 H ASP A 32 -0.170 4.463 5.850 1.00 0.19 H new ATOM 0 HA ASP A 32 0.853 3.826 3.303 1.00 0.19 H new ATOM 0 HB2 ASP A 32 2.629 5.566 4.171 1.00 0.25 H new ATOM 0 HB3 ASP A 32 0.980 6.080 3.874 1.00 0.25 H new ATOM 509 N PRO A 33 2.961 2.491 3.541 1.00 0.13 N ATOM 510 CA PRO A 33 4.116 1.596 3.672 1.00 0.16 C ATOM 511 C PRO A 33 5.301 2.283 4.318 1.00 0.15 C ATOM 512 O PRO A 33 5.828 1.831 5.335 1.00 0.24 O ATOM 513 CB PRO A 33 4.472 1.255 2.225 1.00 0.25 C ATOM 514 CG PRO A 33 3.275 1.553 1.433 1.00 0.27 C ATOM 515 CD PRO A 33 2.575 2.680 2.132 1.00 0.23 C ATOM 0 HA PRO A 33 3.882 0.734 4.297 1.00 0.16 H new ATOM 0 HB2 PRO A 33 5.323 1.845 1.883 1.00 0.25 H new ATOM 0 HB3 PRO A 33 4.752 0.206 2.129 1.00 0.25 H new ATOM 0 HG2 PRO A 33 3.543 1.834 0.415 1.00 0.27 H new ATOM 0 HG3 PRO A 33 2.628 0.678 1.362 1.00 0.27 H new ATOM 0 HD2 PRO A 33 2.896 3.650 1.753 1.00 0.23 H new ATOM 0 HD3 PRO A 33 1.494 2.627 2.000 1.00 0.23 H new ATOM 523 N ARG A 34 5.718 3.361 3.676 1.00 0.22 N ATOM 524 CA ARG A 34 6.871 4.146 4.101 1.00 0.29 C ATOM 525 C ARG A 34 6.956 4.273 5.621 1.00 0.33 C ATOM 526 O ARG A 34 8.049 4.342 6.184 1.00 0.44 O ATOM 527 CB ARG A 34 6.810 5.540 3.474 1.00 0.36 C ATOM 528 CG ARG A 34 6.923 5.532 1.961 1.00 0.64 C ATOM 529 CD ARG A 34 8.066 6.412 1.482 1.00 0.87 C ATOM 530 NE ARG A 34 8.027 7.740 2.091 1.00 1.71 N ATOM 531 CZ ARG A 34 9.111 8.469 2.342 1.00 2.41 C ATOM 532 NH1 ARG A 34 10.315 8.001 2.041 1.00 2.67 N ATOM 533 NH2 ARG A 34 8.992 9.667 2.897 1.00 3.34 N ATOM 0 H ARG A 34 5.263 3.722 2.837 1.00 0.22 H new ATOM 0 HA ARG A 34 7.764 3.620 3.763 1.00 0.29 H new ATOM 0 HB2 ARG A 34 5.871 6.016 3.757 1.00 0.36 H new ATOM 0 HB3 ARG A 34 7.613 6.150 3.887 1.00 0.36 H new ATOM 0 HG2 ARG A 34 7.078 4.511 1.612 1.00 0.64 H new ATOM 0 HG3 ARG A 34 5.987 5.880 1.524 1.00 0.64 H new ATOM 0 HD2 ARG A 34 9.016 5.933 1.718 1.00 0.87 H new ATOM 0 HD3 ARG A 34 8.019 6.509 0.397 1.00 0.87 H new ATOM 0 HE ARG A 34 7.117 8.130 2.337 1.00 1.71 H new ATOM 0 HH11 ARG A 34 10.412 7.079 1.615 1.00 2.67 H new ATOM 0 HH12 ARG A 34 11.144 8.563 2.235 1.00 2.67 H new ATOM 0 HH21 ARG A 34 8.068 10.031 3.132 1.00 3.34 H new ATOM 0 HH22 ARG A 34 9.824 10.225 3.089 1.00 3.34 H new