USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.252) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.515 USER MOD Single : A 14 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.3) USER MOD Single : A 15 MET CE :methyl 154:sc= -0.334 (180deg=-1.53!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.518 4.142 2.705 1.00 0.00 N ATOM 2 CA MET A 1 -22.100 3.345 3.821 1.00 0.00 C ATOM 3 C MET A 1 -21.167 3.410 5.033 1.00 0.00 C ATOM 4 O MET A 1 -21.423 4.118 5.987 1.00 0.00 O ATOM 5 CB MET A 1 -22.265 1.889 3.379 1.00 0.00 C ATOM 6 CG MET A 1 -23.126 1.836 2.116 1.00 0.00 C ATOM 7 SD MET A 1 -23.969 0.236 2.027 1.00 0.00 S ATOM 8 CE MET A 1 -24.961 0.587 0.556 1.00 0.00 C ATOM 0 H1 MET A 1 -22.256 4.342 2.000 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.143 5.038 3.077 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.748 3.604 2.258 1.00 0.00 H new ATOM 0 HA MET A 1 -23.074 3.753 4.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.289 1.443 3.186 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.730 1.306 4.174 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.857 2.644 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.504 1.981 1.233 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.572 -0.282 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.608 1.443 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.302 0.812 -0.282 1.00 0.00 H new ATOM 20 N SER A 2 -20.085 2.680 5.005 1.00 0.00 N ATOM 21 CA SER A 2 -19.142 2.709 6.156 1.00 0.00 C ATOM 22 C SER A 2 -18.672 4.145 6.386 1.00 0.00 C ATOM 23 O SER A 2 -18.565 4.930 5.463 1.00 0.00 O ATOM 24 CB SER A 2 -17.935 1.819 5.856 1.00 0.00 C ATOM 25 OG SER A 2 -18.187 0.508 6.342 1.00 0.00 O ATOM 0 H SER A 2 -19.815 2.067 4.236 1.00 0.00 H new ATOM 0 HA SER A 2 -19.647 2.340 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.746 1.792 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.041 2.228 6.326 1.00 0.00 H new ATOM 0 HG SER A 2 -17.416 -0.066 6.150 1.00 0.00 H new ATOM 31 N TRP A 3 -18.391 4.497 7.609 1.00 0.00 N ATOM 32 CA TRP A 3 -17.927 5.882 7.897 1.00 0.00 C ATOM 33 C TRP A 3 -16.404 5.889 8.026 1.00 0.00 C ATOM 34 O TRP A 3 -15.727 5.032 7.493 1.00 0.00 O ATOM 35 CB TRP A 3 -18.560 6.366 9.203 1.00 0.00 C ATOM 36 CG TRP A 3 -19.325 7.624 8.946 1.00 0.00 C ATOM 37 CD1 TRP A 3 -20.532 7.922 9.479 1.00 0.00 C ATOM 38 CD2 TRP A 3 -18.960 8.752 8.100 1.00 0.00 C ATOM 39 NE1 TRP A 3 -20.930 9.164 9.015 1.00 0.00 N ATOM 40 CE2 TRP A 3 -19.994 9.716 8.162 1.00 0.00 C ATOM 41 CE3 TRP A 3 -17.841 9.031 7.294 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -19.922 10.913 7.449 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -17.766 10.235 6.575 1.00 0.00 C ATOM 44 CH2 TRP A 3 -18.804 11.174 6.653 1.00 0.00 C ATOM 0 H TRP A 3 -18.463 3.885 8.422 1.00 0.00 H new ATOM 0 HA TRP A 3 -18.223 6.546 7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -19.223 5.600 9.605 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.787 6.543 9.951 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -21.093 7.294 10.155 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -21.807 9.616 9.272 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -17.035 8.315 7.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -20.725 11.633 7.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -16.903 10.439 5.958 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -18.739 12.098 6.098 1.00 0.00 H new ATOM 55 N ALA A 4 -15.855 6.841 8.728 1.00 0.00 N ATOM 56 CA ALA A 4 -14.374 6.880 8.879 1.00 0.00 C ATOM 57 C ALA A 4 -13.726 7.223 7.537 1.00 0.00 C ATOM 58 O ALA A 4 -12.709 6.671 7.188 1.00 0.00 O ATOM 59 CB ALA A 4 -13.880 5.507 9.339 1.00 0.00 C ATOM 0 H ALA A 4 -16.363 7.588 9.200 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.105 7.638 9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.796 5.529 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.339 5.257 10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.153 4.755 8.598 1.00 0.00 H new ATOM 65 N LEU A 5 -14.299 8.123 6.777 1.00 0.00 N ATOM 66 CA LEU A 5 -13.690 8.475 5.464 1.00 0.00 C ATOM 67 C LEU A 5 -12.257 8.970 5.685 1.00 0.00 C ATOM 68 O LEU A 5 -11.390 8.779 4.855 1.00 0.00 O ATOM 69 CB LEU A 5 -14.514 9.577 4.796 1.00 0.00 C ATOM 70 CG LEU A 5 -14.243 9.577 3.291 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.484 10.069 2.546 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.064 10.503 2.987 1.00 0.00 C ATOM 0 H LEU A 5 -15.156 8.624 7.009 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.677 7.595 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.576 9.417 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.257 10.547 5.222 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.005 8.564 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.289 10.068 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.324 9.409 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.725 11.081 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.869 10.504 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.303 11.515 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.179 10.150 3.516 1.00 0.00 H new ATOM 84 N GLU A 6 -12.002 9.600 6.798 1.00 0.00 N ATOM 85 CA GLU A 6 -10.625 10.102 7.072 1.00 0.00 C ATOM 86 C GLU A 6 -9.631 8.946 6.957 1.00 0.00 C ATOM 87 O GLU A 6 -8.624 9.044 6.283 1.00 0.00 O ATOM 88 CB GLU A 6 -10.568 10.687 8.484 1.00 0.00 C ATOM 89 CG GLU A 6 -11.421 11.956 8.543 1.00 0.00 C ATOM 90 CD GLU A 6 -11.058 12.759 9.793 1.00 0.00 C ATOM 91 OE1 GLU A 6 -9.950 12.598 10.277 1.00 0.00 O ATOM 92 OE2 GLU A 6 -11.896 13.521 10.247 1.00 0.00 O ATOM 0 H GLU A 6 -12.687 9.789 7.530 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.368 10.876 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.932 9.957 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.537 10.916 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.256 12.559 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.479 11.695 8.560 1.00 0.00 H new ATOM 99 N MET A 7 -9.909 7.847 7.602 1.00 0.00 N ATOM 100 CA MET A 7 -8.989 6.681 7.523 1.00 0.00 C ATOM 101 C MET A 7 -9.151 6.018 6.157 1.00 0.00 C ATOM 102 O MET A 7 -8.225 5.455 5.608 1.00 0.00 O ATOM 103 CB MET A 7 -9.345 5.678 8.623 1.00 0.00 C ATOM 104 CG MET A 7 -8.106 5.385 9.472 1.00 0.00 C ATOM 105 SD MET A 7 -7.179 4.017 8.734 1.00 0.00 S ATOM 106 CE MET A 7 -7.829 2.701 9.792 1.00 0.00 C ATOM 0 H MET A 7 -10.736 7.707 8.182 1.00 0.00 H new ATOM 0 HA MET A 7 -7.958 7.010 7.655 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.141 6.078 9.250 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.721 4.756 8.180 1.00 0.00 H new ATOM 0 HG2 MET A 7 -7.477 6.273 9.535 1.00 0.00 H new ATOM 0 HG3 MET A 7 -8.401 5.131 10.490 1.00 0.00 H new ATOM 0 HE1 MET A 7 -7.382 1.749 9.505 1.00 0.00 H new ATOM 0 HE2 MET A 7 -7.586 2.917 10.832 1.00 0.00 H new ATOM 0 HE3 MET A 7 -8.911 2.643 9.677 1.00 0.00 H new ATOM 116 N ALA A 8 -10.332 6.085 5.607 1.00 0.00 N ATOM 117 CA ALA A 8 -10.579 5.466 4.275 1.00 0.00 C ATOM 118 C ALA A 8 -9.605 6.047 3.249 1.00 0.00 C ATOM 119 O ALA A 8 -9.202 5.375 2.324 1.00 0.00 O ATOM 120 CB ALA A 8 -12.016 5.759 3.838 1.00 0.00 C ATOM 0 H ALA A 8 -11.141 6.545 6.026 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.430 4.388 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.199 5.307 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.710 5.342 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.163 6.837 3.771 1.00 0.00 H new ATOM 126 N ASP A 9 -9.223 7.286 3.401 1.00 0.00 N ATOM 127 CA ASP A 9 -8.273 7.895 2.426 1.00 0.00 C ATOM 128 C ASP A 9 -7.041 6.997 2.287 1.00 0.00 C ATOM 129 O ASP A 9 -6.716 6.528 1.211 1.00 0.00 O ATOM 130 CB ASP A 9 -7.843 9.274 2.927 1.00 0.00 C ATOM 131 CG ASP A 9 -7.593 10.199 1.733 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.847 9.806 0.851 1.00 0.00 O ATOM 133 OD2 ASP A 9 -8.152 11.282 1.722 1.00 0.00 O ATOM 0 H ASP A 9 -9.526 7.901 4.156 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.762 7.996 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.615 9.695 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.938 9.188 3.529 1.00 0.00 H new ATOM 138 N THR A 10 -6.355 6.750 3.369 1.00 0.00 N ATOM 139 CA THR A 10 -5.150 5.880 3.297 1.00 0.00 C ATOM 140 C THR A 10 -5.514 4.593 2.555 1.00 0.00 C ATOM 141 O THR A 10 -4.754 4.091 1.752 1.00 0.00 O ATOM 142 CB THR A 10 -4.666 5.537 4.709 1.00 0.00 C ATOM 143 OG1 THR A 10 -5.344 6.352 5.657 1.00 0.00 O ATOM 144 CG2 THR A 10 -3.159 5.786 4.807 1.00 0.00 C ATOM 0 H THR A 10 -6.577 7.112 4.296 1.00 0.00 H new ATOM 0 HA THR A 10 -4.353 6.403 2.769 1.00 0.00 H new ATOM 0 HB THR A 10 -4.876 4.488 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.264 6.032 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.814 5.542 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.639 5.159 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.949 6.835 4.596 1.00 0.00 H new ATOM 152 N PHE A 11 -6.678 4.061 2.814 1.00 0.00 N ATOM 153 CA PHE A 11 -7.095 2.813 2.117 1.00 0.00 C ATOM 154 C PHE A 11 -7.070 3.058 0.609 1.00 0.00 C ATOM 155 O PHE A 11 -6.608 2.236 -0.158 1.00 0.00 O ATOM 156 CB PHE A 11 -8.511 2.433 2.551 1.00 0.00 C ATOM 157 CG PHE A 11 -8.755 0.974 2.252 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.970 -0.008 2.870 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.764 0.602 1.356 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.196 -1.362 2.591 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.989 -0.750 1.078 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.206 -1.733 1.694 1.00 0.00 C ATOM 0 H PHE A 11 -7.356 4.437 3.477 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.413 2.001 2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.639 2.623 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.241 3.050 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.191 0.279 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.369 1.359 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.592 -2.120 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.768 -1.036 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.380 -2.777 1.478 1.00 0.00 H new ATOM 172 N LEU A 12 -7.549 4.192 0.178 1.00 0.00 N ATOM 173 CA LEU A 12 -7.541 4.501 -1.275 1.00 0.00 C ATOM 174 C LEU A 12 -6.094 4.497 -1.761 1.00 0.00 C ATOM 175 O LEU A 12 -5.800 4.095 -2.869 1.00 0.00 O ATOM 176 CB LEU A 12 -8.157 5.882 -1.506 1.00 0.00 C ATOM 177 CG LEU A 12 -9.606 5.726 -1.974 1.00 0.00 C ATOM 178 CD1 LEU A 12 -9.624 5.221 -3.417 1.00 0.00 C ATOM 179 CD2 LEU A 12 -10.329 4.721 -1.073 1.00 0.00 C ATOM 0 H LEU A 12 -7.946 4.919 0.773 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.121 3.757 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.122 6.465 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.580 6.429 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.111 6.691 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.656 5.110 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.110 5.936 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.119 4.257 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.361 4.610 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.825 3.756 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.317 5.080 -0.044 1.00 0.00 H new ATOM 191 N ASP A 13 -5.187 4.939 -0.933 1.00 0.00 N ATOM 192 CA ASP A 13 -3.753 4.956 -1.337 1.00 0.00 C ATOM 193 C ASP A 13 -3.265 3.519 -1.554 1.00 0.00 C ATOM 194 O ASP A 13 -2.469 3.250 -2.431 1.00 0.00 O ATOM 195 CB ASP A 13 -2.919 5.615 -0.237 1.00 0.00 C ATOM 196 CG ASP A 13 -2.139 6.793 -0.823 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.764 7.653 -1.421 1.00 0.00 O ATOM 198 OD2 ASP A 13 -0.929 6.815 -0.666 1.00 0.00 O ATOM 0 H ASP A 13 -5.377 5.289 0.006 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.645 5.521 -2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.568 5.959 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.231 4.889 0.196 1.00 0.00 H new ATOM 203 N ASN A 14 -3.733 2.594 -0.758 1.00 0.00 N ATOM 204 CA ASN A 14 -3.295 1.179 -0.915 1.00 0.00 C ATOM 205 C ASN A 14 -4.199 0.471 -1.928 1.00 0.00 C ATOM 206 O ASN A 14 -4.136 -0.729 -2.099 1.00 0.00 O ATOM 207 CB ASN A 14 -3.391 0.467 0.437 1.00 0.00 C ATOM 208 CG ASN A 14 -2.945 -0.988 0.288 1.00 0.00 C ATOM 209 OD1 ASN A 14 -1.947 -1.269 -0.346 1.00 0.00 O ATOM 210 ND2 ASN A 14 -3.647 -1.933 0.850 1.00 0.00 N ATOM 0 H ASN A 14 -4.401 2.759 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.265 1.154 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.766 0.975 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.415 0.507 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.358 -2.907 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.485 -1.698 1.382 1.00 0.00 H new ATOM 217 N MET A 15 -5.037 1.208 -2.603 1.00 0.00 N ATOM 218 CA MET A 15 -5.942 0.582 -3.607 1.00 0.00 C ATOM 219 C MET A 15 -5.275 0.639 -4.980 1.00 0.00 C ATOM 220 O MET A 15 -5.802 1.201 -5.920 1.00 0.00 O ATOM 221 CB MET A 15 -7.269 1.340 -3.644 1.00 0.00 C ATOM 222 CG MET A 15 -8.256 0.683 -2.678 1.00 0.00 C ATOM 223 SD MET A 15 -9.932 1.264 -3.036 1.00 0.00 S ATOM 224 CE MET A 15 -10.125 0.427 -4.629 1.00 0.00 C ATOM 0 H MET A 15 -5.134 2.218 -2.502 1.00 0.00 H new ATOM 0 HA MET A 15 -6.134 -0.456 -3.336 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.113 2.383 -3.368 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.675 1.335 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 15 -8.208 -0.402 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.989 0.924 -1.649 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.183 0.251 -4.821 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.711 1.052 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.597 -0.526 -4.606 1.00 0.00 H new ATOM 234 N ARG A 16 -4.114 0.060 -5.096 1.00 0.00 N ATOM 235 CA ARG A 16 -3.393 0.070 -6.398 1.00 0.00 C ATOM 236 C ARG A 16 -3.812 -1.148 -7.218 1.00 0.00 C ATOM 237 O ARG A 16 -3.016 -2.022 -7.483 1.00 0.00 O ATOM 238 CB ARG A 16 -1.884 0.024 -6.148 1.00 0.00 C ATOM 239 CG ARG A 16 -1.382 1.428 -5.802 1.00 0.00 C ATOM 240 CD ARG A 16 -0.028 1.327 -5.096 1.00 0.00 C ATOM 241 NE ARG A 16 -0.200 0.650 -3.780 1.00 0.00 N ATOM 242 CZ ARG A 16 0.844 0.361 -3.053 1.00 0.00 C ATOM 243 NH1 ARG A 16 1.966 0.023 -3.627 1.00 0.00 N ATOM 244 NH2 ARG A 16 0.766 0.407 -1.750 1.00 0.00 N ATOM 0 H ARG A 16 -3.630 -0.423 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.641 0.980 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.660 -0.665 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.369 -0.350 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.288 2.026 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.102 1.935 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.675 0.769 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.394 2.322 -4.952 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.134 0.412 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.027 -0.015 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.782 -0.203 -3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.111 0.669 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.582 0.181 -1.182 1.00 0.00 H new ATOM 258 N VAL A 17 -5.062 -1.188 -7.611 1.00 0.00 N ATOM 259 CA VAL A 17 -5.606 -2.325 -8.430 1.00 0.00 C ATOM 260 C VAL A 17 -6.325 -3.334 -7.528 1.00 0.00 C ATOM 261 O VAL A 17 -6.932 -4.273 -8.002 1.00 0.00 O ATOM 262 CB VAL A 17 -4.483 -3.019 -9.228 1.00 0.00 C ATOM 263 CG1 VAL A 17 -3.897 -4.198 -8.437 1.00 0.00 C ATOM 264 CG2 VAL A 17 -5.056 -3.539 -10.549 1.00 0.00 C ATOM 0 H VAL A 17 -5.747 -0.464 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.324 -1.918 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.690 -2.295 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.107 -4.671 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.485 -3.835 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.683 -4.926 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.268 -4.031 -11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.854 -4.252 -10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.454 -2.705 -11.126 1.00 0.00 H new ATOM 274 N GLY A 18 -6.271 -3.153 -6.238 1.00 0.00 N ATOM 275 CA GLY A 18 -6.967 -4.110 -5.333 1.00 0.00 C ATOM 276 C GLY A 18 -8.404 -4.312 -5.829 1.00 0.00 C ATOM 277 O GLY A 18 -9.051 -3.367 -6.233 1.00 0.00 O ATOM 0 H GLY A 18 -5.779 -2.390 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.438 -5.063 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.971 -3.728 -4.312 1.00 0.00 H new ATOM 281 N PRO A 19 -8.860 -5.538 -5.791 1.00 0.00 N ATOM 282 CA PRO A 19 -10.218 -5.891 -6.240 1.00 0.00 C ATOM 283 C PRO A 19 -11.258 -5.502 -5.184 1.00 0.00 C ATOM 284 O PRO A 19 -11.687 -6.316 -4.391 1.00 0.00 O ATOM 285 CB PRO A 19 -10.156 -7.411 -6.415 1.00 0.00 C ATOM 286 CG PRO A 19 -8.981 -7.903 -5.537 1.00 0.00 C ATOM 287 CD PRO A 19 -8.069 -6.684 -5.299 1.00 0.00 C ATOM 0 HA PRO A 19 -10.512 -5.373 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.092 -7.876 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.997 -7.676 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.345 -8.305 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.435 -8.704 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.821 -6.573 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.127 -6.779 -5.840 1.00 0.00 H new ATOM 294 N ARG A 20 -11.669 -4.264 -5.172 1.00 0.00 N ATOM 295 CA ARG A 20 -12.683 -3.823 -4.175 1.00 0.00 C ATOM 296 C ARG A 20 -13.969 -3.424 -4.909 1.00 0.00 C ATOM 297 O ARG A 20 -14.347 -4.041 -5.885 1.00 0.00 O ATOM 298 CB ARG A 20 -12.138 -2.627 -3.391 1.00 0.00 C ATOM 299 CG ARG A 20 -10.816 -3.016 -2.724 1.00 0.00 C ATOM 300 CD ARG A 20 -11.095 -3.954 -1.548 1.00 0.00 C ATOM 301 NE ARG A 20 -9.979 -4.932 -1.417 1.00 0.00 N ATOM 302 CZ ARG A 20 -10.238 -6.208 -1.321 1.00 0.00 C ATOM 303 NH1 ARG A 20 -11.122 -6.632 -0.461 1.00 0.00 N ATOM 304 NH2 ARG A 20 -9.614 -7.060 -2.089 1.00 0.00 N ATOM 0 H ARG A 20 -11.345 -3.538 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.900 -4.636 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.985 -1.779 -4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.860 -2.313 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.162 -3.505 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.296 -2.124 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.199 -3.379 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.037 -4.480 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.013 -4.605 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.612 -5.967 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.324 -7.629 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.924 -6.729 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.816 -8.057 -2.014 1.00 0.00 H new ATOM 318 N THR A 21 -14.646 -2.402 -4.455 1.00 0.00 N ATOM 319 CA THR A 21 -15.900 -1.985 -5.142 1.00 0.00 C ATOM 320 C THR A 21 -16.445 -0.709 -4.493 1.00 0.00 C ATOM 321 O THR A 21 -15.812 -0.114 -3.643 1.00 0.00 O ATOM 322 CB THR A 21 -16.939 -3.101 -5.021 1.00 0.00 C ATOM 323 OG1 THR A 21 -16.375 -4.197 -4.314 1.00 0.00 O ATOM 324 CG2 THR A 21 -17.366 -3.557 -6.417 1.00 0.00 C ATOM 0 H THR A 21 -14.386 -1.842 -3.643 1.00 0.00 H new ATOM 0 HA THR A 21 -15.689 -1.792 -6.194 1.00 0.00 H new ATOM 0 HB THR A 21 -17.810 -2.730 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.040 -4.912 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 21 -18.106 -4.352 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.799 -2.716 -6.958 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.497 -3.929 -6.960 1.00 0.00 H new ATOM 332 N TYR A 22 -17.615 -0.285 -4.891 1.00 0.00 N ATOM 333 CA TYR A 22 -18.214 0.951 -4.306 1.00 0.00 C ATOM 334 C TYR A 22 -17.341 2.163 -4.641 1.00 0.00 C ATOM 335 O TYR A 22 -17.549 3.248 -4.131 1.00 0.00 O ATOM 336 CB TYR A 22 -18.320 0.802 -2.783 1.00 0.00 C ATOM 337 CG TYR A 22 -19.485 -0.096 -2.432 1.00 0.00 C ATOM 338 CD1 TYR A 22 -20.050 -0.935 -3.402 1.00 0.00 C ATOM 339 CD2 TYR A 22 -20.000 -0.091 -1.129 1.00 0.00 C ATOM 340 CE1 TYR A 22 -21.127 -1.765 -3.069 1.00 0.00 C ATOM 341 CE2 TYR A 22 -21.077 -0.922 -0.797 1.00 0.00 C ATOM 342 CZ TYR A 22 -21.641 -1.758 -1.768 1.00 0.00 C ATOM 343 OH TYR A 22 -22.703 -2.577 -1.442 1.00 0.00 O ATOM 0 H TYR A 22 -18.185 -0.745 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 22 -19.209 1.098 -4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -17.395 0.384 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -18.452 1.781 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -19.654 -0.941 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -19.566 0.555 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -21.561 -2.411 -3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -21.472 -0.918 0.208 1.00 0.00 H new ATOM 0 HH TYR A 22 -22.936 -2.451 -0.499 1.00 0.00 H new ATOM 353 N ALA A 23 -16.370 1.995 -5.498 1.00 0.00 N ATOM 354 CA ALA A 23 -15.497 3.145 -5.860 1.00 0.00 C ATOM 355 C ALA A 23 -16.291 4.130 -6.707 1.00 0.00 C ATOM 356 O ALA A 23 -16.126 5.329 -6.620 1.00 0.00 O ATOM 357 CB ALA A 23 -14.288 2.642 -6.650 1.00 0.00 C ATOM 0 H ALA A 23 -16.145 1.114 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 23 -15.150 3.641 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.650 3.485 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.723 1.936 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.628 2.146 -7.559 1.00 0.00 H new ATOM 363 N ASP A 24 -17.156 3.619 -7.520 1.00 0.00 N ATOM 364 CA ASP A 24 -17.986 4.498 -8.390 1.00 0.00 C ATOM 365 C ASP A 24 -19.189 5.008 -7.596 1.00 0.00 C ATOM 366 O ASP A 24 -19.435 6.195 -7.515 1.00 0.00 O ATOM 367 CB ASP A 24 -18.474 3.699 -9.600 1.00 0.00 C ATOM 368 CG ASP A 24 -17.324 3.523 -10.593 1.00 0.00 C ATOM 369 OD1 ASP A 24 -16.455 4.379 -10.623 1.00 0.00 O ATOM 370 OD2 ASP A 24 -17.331 2.534 -11.308 1.00 0.00 O ATOM 0 H ASP A 24 -17.331 2.620 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.390 5.345 -8.730 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -18.845 2.725 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -19.306 4.215 -10.079 1.00 0.00 H new ATOM 375 N VAL A 25 -19.940 4.120 -7.006 1.00 0.00 N ATOM 376 CA VAL A 25 -21.122 4.555 -6.215 1.00 0.00 C ATOM 377 C VAL A 25 -20.699 5.654 -5.239 1.00 0.00 C ATOM 378 O VAL A 25 -21.344 6.676 -5.120 1.00 0.00 O ATOM 379 CB VAL A 25 -21.678 3.366 -5.431 1.00 0.00 C ATOM 380 CG1 VAL A 25 -23.108 3.669 -4.986 1.00 0.00 C ATOM 381 CG2 VAL A 25 -21.677 2.124 -6.324 1.00 0.00 C ATOM 0 H VAL A 25 -19.785 3.112 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 25 -21.890 4.937 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 25 -21.056 3.187 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.503 2.820 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -23.111 4.555 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.731 3.848 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -22.073 1.275 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -22.300 2.305 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.658 1.905 -6.642 1.00 0.00 H new ATOM 391 N ARG A 26 -19.616 5.451 -4.537 1.00 0.00 N ATOM 392 CA ARG A 26 -19.154 6.486 -3.570 1.00 0.00 C ATOM 393 C ARG A 26 -18.584 7.690 -4.327 1.00 0.00 C ATOM 394 O ARG A 26 -18.771 8.824 -3.932 1.00 0.00 O ATOM 395 CB ARG A 26 -18.070 5.891 -2.669 1.00 0.00 C ATOM 396 CG ARG A 26 -18.713 4.939 -1.659 1.00 0.00 C ATOM 397 CD ARG A 26 -18.538 5.501 -0.247 1.00 0.00 C ATOM 398 NE ARG A 26 -19.075 6.890 -0.194 1.00 0.00 N ATOM 399 CZ ARG A 26 -20.004 7.198 0.670 1.00 0.00 C ATOM 400 NH1 ARG A 26 -19.741 8.029 1.641 1.00 0.00 N ATOM 401 NH2 ARG A 26 -21.195 6.676 0.563 1.00 0.00 N ATOM 0 H ARG A 26 -19.034 4.615 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 26 -19.998 6.812 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.334 5.357 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.538 6.687 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -19.772 4.814 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -18.254 3.953 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.059 4.871 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.484 5.497 0.029 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.717 7.600 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.810 8.437 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.466 8.270 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.401 6.027 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.920 6.917 1.239 1.00 0.00 H new ATOM 415 N ASP A 27 -17.892 7.458 -5.411 1.00 0.00 N ATOM 416 CA ASP A 27 -17.318 8.597 -6.179 1.00 0.00 C ATOM 417 C ASP A 27 -18.451 9.424 -6.788 1.00 0.00 C ATOM 418 O ASP A 27 -18.255 10.546 -7.212 1.00 0.00 O ATOM 419 CB ASP A 27 -16.417 8.063 -7.296 1.00 0.00 C ATOM 420 CG ASP A 27 -14.972 7.989 -6.796 1.00 0.00 C ATOM 421 OD1 ASP A 27 -14.433 9.027 -6.451 1.00 0.00 O ATOM 422 OD2 ASP A 27 -14.428 6.898 -6.767 1.00 0.00 O ATOM 0 H ASP A 27 -17.701 6.533 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.729 9.224 -5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.755 7.075 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.478 8.713 -8.169 1.00 0.00 H new ATOM 427 N GLU A 28 -19.640 8.885 -6.830 1.00 0.00 N ATOM 428 CA GLU A 28 -20.781 9.649 -7.405 1.00 0.00 C ATOM 429 C GLU A 28 -21.098 10.827 -6.489 1.00 0.00 C ATOM 430 O GLU A 28 -21.514 11.884 -6.935 1.00 0.00 O ATOM 431 CB GLU A 28 -22.008 8.739 -7.518 1.00 0.00 C ATOM 432 CG GLU A 28 -22.600 8.850 -8.924 1.00 0.00 C ATOM 433 CD GLU A 28 -23.964 8.159 -8.964 1.00 0.00 C ATOM 434 OE1 GLU A 28 -24.013 6.972 -8.687 1.00 0.00 O ATOM 435 OE2 GLU A 28 -24.936 8.829 -9.270 1.00 0.00 O ATOM 0 H GLU A 28 -19.869 7.950 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.517 10.013 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.728 7.706 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -22.753 9.022 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.704 9.898 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.928 8.392 -9.649 1.00 0.00 H new ATOM 442 N ILE A 29 -20.897 10.662 -5.207 1.00 0.00 N ATOM 443 CA ILE A 29 -21.186 11.779 -4.261 1.00 0.00 C ATOM 444 C ILE A 29 -20.126 12.889 -4.367 1.00 0.00 C ATOM 445 O ILE A 29 -20.059 13.776 -3.540 1.00 0.00 O ATOM 446 CB ILE A 29 -21.232 11.234 -2.832 1.00 0.00 C ATOM 447 CG1 ILE A 29 -21.941 12.242 -1.925 1.00 0.00 C ATOM 448 CG2 ILE A 29 -19.807 11.003 -2.322 1.00 0.00 C ATOM 449 CD1 ILE A 29 -23.320 11.702 -1.546 1.00 0.00 C ATOM 0 H ILE A 29 -20.547 9.806 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 29 -22.151 12.213 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 29 -21.776 10.289 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -21.349 12.420 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -22.041 13.200 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.843 10.615 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.302 10.284 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -19.260 11.946 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -23.826 12.419 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -23.911 11.547 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -23.207 10.755 -1.019 1.00 0.00 H new ATOM 461 N ASN A 30 -19.324 12.858 -5.388 1.00 0.00 N ATOM 462 CA ASN A 30 -18.292 13.912 -5.581 1.00 0.00 C ATOM 463 C ASN A 30 -18.771 14.861 -6.680 1.00 0.00 C ATOM 464 O ASN A 30 -19.032 16.024 -6.442 1.00 0.00 O ATOM 465 CB ASN A 30 -16.969 13.267 -6.002 1.00 0.00 C ATOM 466 CG ASN A 30 -15.807 14.187 -5.621 1.00 0.00 C ATOM 467 OD1 ASN A 30 -15.701 15.288 -6.123 1.00 0.00 O ATOM 468 ND2 ASN A 30 -14.925 13.778 -4.751 1.00 0.00 N ATOM 0 H ASN A 30 -19.338 12.137 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.138 14.460 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.854 12.298 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.966 13.087 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.146 14.383 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.015 12.853 -4.330 1.00 0.00 H new ATOM 475 N LYS A 31 -18.909 14.365 -7.881 1.00 0.00 N ATOM 476 CA LYS A 31 -19.393 15.224 -8.992 1.00 0.00 C ATOM 477 C LYS A 31 -20.851 15.593 -8.722 1.00 0.00 C ATOM 478 O LYS A 31 -21.347 16.598 -9.192 1.00 0.00 O ATOM 479 CB LYS A 31 -19.293 14.449 -10.308 1.00 0.00 C ATOM 480 CG LYS A 31 -19.922 15.266 -11.437 1.00 0.00 C ATOM 481 CD LYS A 31 -19.282 14.866 -12.768 1.00 0.00 C ATOM 482 CE LYS A 31 -17.954 15.607 -12.939 1.00 0.00 C ATOM 483 NZ LYS A 31 -18.148 16.768 -13.853 1.00 0.00 N ATOM 0 H LYS A 31 -18.706 13.399 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.789 16.129 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.249 14.237 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.800 13.489 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.998 15.093 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.776 16.331 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.116 13.789 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.953 15.105 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.589 15.950 -11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.199 14.933 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.246 17.272 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.478 16.429 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.856 17.414 -13.448 1.00 0.00 H new ATOM 497 N ARG A 32 -21.542 14.786 -7.958 1.00 0.00 N ATOM 498 CA ARG A 32 -22.966 15.092 -7.651 1.00 0.00 C ATOM 499 C ARG A 32 -23.086 15.536 -6.192 1.00 0.00 C ATOM 500 O ARG A 32 -23.989 15.139 -5.483 1.00 0.00 O ATOM 501 CB ARG A 32 -23.816 13.840 -7.875 1.00 0.00 C ATOM 502 CG ARG A 32 -24.950 14.163 -8.848 1.00 0.00 C ATOM 503 CD ARG A 32 -25.078 13.039 -9.876 1.00 0.00 C ATOM 504 NE ARG A 32 -26.233 12.170 -9.519 1.00 0.00 N ATOM 505 CZ ARG A 32 -26.434 11.050 -10.158 1.00 0.00 C ATOM 506 NH1 ARG A 32 -25.548 10.614 -11.012 1.00 0.00 N ATOM 507 NH2 ARG A 32 -27.522 10.362 -9.942 1.00 0.00 N ATOM 0 H ARG A 32 -21.180 13.931 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 32 -23.317 15.890 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.199 13.035 -8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -24.224 13.490 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -25.887 14.281 -8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.753 15.109 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.218 13.457 -10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.161 12.450 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 32 -26.869 12.451 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -24.696 11.149 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.708 9.738 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -28.215 10.700 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.679 9.487 -10.441 1.00 0.00 H new ATOM 521 N GLY A 33 -22.179 16.360 -5.736 1.00 0.00 N ATOM 522 CA GLY A 33 -22.241 16.828 -4.322 1.00 0.00 C ATOM 523 C GLY A 33 -21.507 18.163 -4.192 1.00 0.00 C ATOM 524 O GLY A 33 -21.030 18.519 -3.133 1.00 0.00 O ATOM 0 H GLY A 33 -21.400 16.728 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.279 16.940 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.789 16.087 -3.663 1.00 0.00 H new ATOM 528 N ARG A 34 -21.411 18.905 -5.261 1.00 0.00 N ATOM 529 CA ARG A 34 -20.707 20.217 -5.196 1.00 0.00 C ATOM 530 C ARG A 34 -21.611 21.248 -4.517 1.00 0.00 C ATOM 531 O ARG A 34 -21.859 21.099 -3.331 1.00 0.00 O ATOM 532 CB ARG A 34 -20.373 20.687 -6.612 1.00 0.00 C ATOM 533 CG ARG A 34 -19.028 21.417 -6.602 1.00 0.00 C ATOM 534 CD ARG A 34 -18.522 21.578 -8.038 1.00 0.00 C ATOM 535 NE ARG A 34 -17.968 22.949 -8.215 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.194 23.214 -9.231 1.00 0.00 C ATOM 537 NH1 ARG A 34 -17.211 22.441 -10.283 1.00 0.00 N ATOM 538 NH2 ARG A 34 -16.401 24.248 -9.195 1.00 0.00 N ATOM 539 OXT ARG A 34 -22.040 22.168 -5.193 1.00 0.00 O ATOM 0 H ARG A 34 -21.789 18.660 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.786 20.107 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -20.331 19.834 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -21.156 21.349 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -19.136 22.394 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -18.303 20.858 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.755 20.833 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -19.335 21.408 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.194 23.681 -7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.829 21.630 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.606 22.648 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.385 24.850 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.796 24.455 -9.990 1.00 0.00 H new TER 553 ARG A 34