USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 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 13 HIS : no HD1:sc= -0.484 K(o=0.22,f=-2.6!) USER MOD Set 1.2: A 17 THR OG1 : rot 78:sc= 0.707 USER MOD Single : A 5 SER OG : rot -34:sc= 0.0277 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 111:sc= 0.84 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.000835 X(o=-0.00084,f=0) USER MOD Single : A 26 SER OG : rot 170:sc= 0.828 USER MOD Single : A 27 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.5) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.988 K(o=0.99,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 2.415 26.804 -10.028 1.00 0.00 N ATOM 44 CA SER A 5 2.226 25.413 -9.605 1.00 0.00 C ATOM 45 C SER A 5 3.339 24.940 -8.663 1.00 0.00 C ATOM 46 O SER A 5 3.619 23.744 -8.580 1.00 0.00 O ATOM 47 CB SER A 5 2.161 24.498 -10.833 1.00 0.00 C ATOM 48 OG SER A 5 3.391 24.507 -11.543 1.00 0.00 O ATOM 0 HA SER A 5 1.286 25.363 -9.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.925 23.481 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.355 24.824 -11.491 1.00 0.00 H new ATOM 0 HG SER A 5 3.793 25.399 -11.489 1.00 0.00 H new ATOM 54 N LEU A 6 3.965 25.874 -7.940 1.00 0.00 N ATOM 55 CA LEU A 6 5.032 25.525 -7.002 1.00 0.00 C ATOM 56 C LEU A 6 4.459 24.794 -5.796 1.00 0.00 C ATOM 57 O LEU A 6 4.794 23.639 -5.535 1.00 0.00 O ATOM 58 CB LEU A 6 5.792 26.780 -6.552 1.00 0.00 C ATOM 59 CG LEU A 6 6.367 27.637 -7.681 1.00 0.00 C ATOM 60 CD1 LEU A 6 6.256 29.114 -7.339 1.00 0.00 C ATOM 61 CD2 LEU A 6 7.815 27.261 -7.950 1.00 0.00 C ATOM 0 H LEU A 6 3.752 26.870 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 6 5.733 24.864 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.120 27.397 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.609 26.475 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 6 5.788 27.448 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.670 29.708 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.208 29.376 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.810 29.318 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.208 27.881 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.406 27.421 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.871 26.211 -8.239 1.00 0.00 H new ATOM 73 N SER A 7 3.573 25.472 -5.076 1.00 0.00 N ATOM 74 CA SER A 7 2.923 24.886 -3.903 1.00 0.00 C ATOM 75 C SER A 7 1.850 23.880 -4.319 1.00 0.00 C ATOM 76 O SER A 7 1.513 22.972 -3.559 1.00 0.00 O ATOM 77 CB SER A 7 2.304 25.979 -3.024 1.00 0.00 C ATOM 78 OG SER A 7 3.269 26.542 -2.150 1.00 0.00 O ATOM 0 H SER A 7 3.286 26.429 -5.282 1.00 0.00 H new ATOM 0 HA SER A 7 3.685 24.362 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.881 26.761 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.483 25.560 -2.442 1.00 0.00 H new ATOM 0 HG SER A 7 2.848 27.237 -1.602 1.00 0.00 H new ATOM 84 N ILE A 8 1.321 24.041 -5.532 1.00 0.00 N ATOM 85 CA ILE A 8 0.288 23.141 -6.050 1.00 0.00 C ATOM 86 C ILE A 8 0.869 21.793 -6.476 1.00 0.00 C ATOM 87 O ILE A 8 0.136 20.829 -6.671 1.00 0.00 O ATOM 88 CB ILE A 8 -0.480 23.769 -7.238 1.00 0.00 C ATOM 89 CG1 ILE A 8 -0.872 25.218 -6.931 1.00 0.00 C ATOM 90 CG2 ILE A 8 -1.721 22.950 -7.565 1.00 0.00 C ATOM 91 CD1 ILE A 8 -1.286 26.005 -8.155 1.00 0.00 C ATOM 0 H ILE A 8 1.590 24.786 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.410 22.977 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 8 0.181 23.767 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.693 25.220 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.030 25.720 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.248 23.407 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.427 21.935 -7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.378 22.921 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.550 27.021 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.460 26.035 -8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.147 25.527 -8.621 1.00 0.00 H new ATOM 103 N ASP A 9 2.182 21.725 -6.604 1.00 0.00 N ATOM 104 CA ASP A 9 2.838 20.480 -6.989 1.00 0.00 C ATOM 105 C ASP A 9 2.956 19.528 -5.798 1.00 0.00 C ATOM 106 O ASP A 9 2.493 18.387 -5.851 1.00 0.00 O ATOM 107 CB ASP A 9 4.223 20.769 -7.583 1.00 0.00 C ATOM 108 CG ASP A 9 4.874 19.535 -8.174 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.415 18.719 -7.398 1.00 0.00 O ATOM 110 OD2 ASP A 9 4.844 19.386 -9.412 1.00 0.00 O ATOM 0 H ASP A 9 2.815 22.510 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 9 2.224 19.995 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.130 21.532 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.869 21.179 -6.806 1.00 0.00 H new ATOM 115 N LEU A 10 3.581 20.007 -4.733 1.00 0.00 N ATOM 116 CA LEU A 10 3.785 19.209 -3.520 1.00 0.00 C ATOM 117 C LEU A 10 2.492 19.010 -2.718 1.00 0.00 C ATOM 118 O LEU A 10 2.146 17.882 -2.363 1.00 0.00 O ATOM 119 CB LEU A 10 4.860 19.856 -2.636 1.00 0.00 C ATOM 120 CG LEU A 10 4.575 21.298 -2.198 1.00 0.00 C ATOM 121 CD1 LEU A 10 4.068 21.333 -0.765 1.00 0.00 C ATOM 122 CD2 LEU A 10 5.824 22.152 -2.337 1.00 0.00 C ATOM 0 H LEU A 10 3.961 20.952 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 10 4.117 18.222 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.990 19.243 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.807 19.839 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 10 3.800 21.706 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.872 22.365 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.148 20.754 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.821 20.906 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.604 23.172 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.617 21.742 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.148 22.156 -3.378 1.00 0.00 H new ATOM 134 N THR A 11 1.789 20.105 -2.419 1.00 0.00 N ATOM 135 CA THR A 11 0.548 20.038 -1.635 1.00 0.00 C ATOM 136 C THR A 11 -0.486 19.131 -2.286 1.00 0.00 C ATOM 137 O THR A 11 -0.990 18.207 -1.646 1.00 0.00 O ATOM 138 CB THR A 11 -0.043 21.437 -1.424 1.00 0.00 C ATOM 139 OG1 THR A 11 0.979 22.410 -1.328 1.00 0.00 O ATOM 140 CG2 THR A 11 -0.885 21.548 -0.175 1.00 0.00 C ATOM 0 H THR A 11 2.055 21.047 -2.706 1.00 0.00 H new ATOM 0 HA THR A 11 0.807 19.612 -0.666 1.00 0.00 H new ATOM 0 HB THR A 11 -0.676 21.611 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.958 22.986 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.272 22.563 -0.086 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.717 20.846 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.274 21.315 0.697 1.00 0.00 H new ATOM 148 N PHE A 12 -0.801 19.383 -3.560 1.00 0.00 N ATOM 149 CA PHE A 12 -1.774 18.569 -4.275 1.00 0.00 C ATOM 150 C PHE A 12 -1.299 17.119 -4.408 1.00 0.00 C ATOM 151 O PHE A 12 -2.108 16.216 -4.618 1.00 0.00 O ATOM 152 CB PHE A 12 -2.042 19.179 -5.643 1.00 0.00 C ATOM 153 CG PHE A 12 -3.438 19.702 -5.797 1.00 0.00 C ATOM 154 CD1 PHE A 12 -3.751 20.985 -5.382 1.00 0.00 C ATOM 155 CD2 PHE A 12 -4.436 18.916 -6.350 1.00 0.00 C ATOM 156 CE1 PHE A 12 -5.036 21.476 -5.515 1.00 0.00 C ATOM 157 CE2 PHE A 12 -5.723 19.402 -6.487 1.00 0.00 C ATOM 158 CZ PHE A 12 -6.023 20.684 -6.067 1.00 0.00 C ATOM 0 H PHE A 12 -0.396 20.141 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.702 18.554 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.336 19.992 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.856 18.428 -6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.983 21.609 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.206 17.913 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.268 22.479 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.492 18.781 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.028 21.066 -6.170 1.00 0.00 H new ATOM 168 N HIS A 13 0.009 16.900 -4.263 1.00 0.00 N ATOM 169 CA HIS A 13 0.576 15.558 -4.340 1.00 0.00 C ATOM 170 C HIS A 13 0.527 14.888 -2.967 1.00 0.00 C ATOM 171 O HIS A 13 0.060 13.754 -2.841 1.00 0.00 O ATOM 172 CB HIS A 13 2.022 15.604 -4.843 1.00 0.00 C ATOM 173 CG HIS A 13 2.564 14.271 -5.271 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.070 13.062 -4.812 1.00 0.00 N ATOM 175 CD2 HIS A 13 3.570 13.962 -6.121 1.00 0.00 C ATOM 176 CE1 HIS A 13 2.753 12.074 -5.363 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.668 12.593 -6.160 1.00 0.00 N ATOM 0 H HIS A 13 0.693 17.637 -4.092 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.018 14.978 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.081 16.295 -5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.657 16.006 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.183 14.663 -6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.590 11.020 -5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.340 12.063 -6.715 1.00 0.00 H new ATOM 186 N LEU A 14 1.017 15.592 -1.943 1.00 0.00 N ATOM 187 CA LEU A 14 1.034 15.055 -0.581 1.00 0.00 C ATOM 188 C LEU A 14 -0.384 14.817 -0.052 1.00 0.00 C ATOM 189 O LEU A 14 -0.680 13.735 0.465 1.00 0.00 O ATOM 190 CB LEU A 14 1.826 15.977 0.360 1.00 0.00 C ATOM 191 CG LEU A 14 1.209 17.350 0.625 1.00 0.00 C ATOM 192 CD1 LEU A 14 0.340 17.320 1.871 1.00 0.00 C ATOM 193 CD2 LEU A 14 2.298 18.399 0.766 1.00 0.00 C ATOM 0 H LEU A 14 1.405 16.531 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 14 1.537 14.088 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.953 15.467 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.822 16.122 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 14 0.578 17.611 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.088 18.308 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.462 16.594 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.947 17.036 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.844 19.372 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.951 18.136 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.882 18.443 -0.153 1.00 0.00 H new ATOM 205 N LEU A 15 -1.266 15.814 -0.189 1.00 0.00 N ATOM 206 CA LEU A 15 -2.645 15.668 0.281 1.00 0.00 C ATOM 207 C LEU A 15 -3.375 14.592 -0.515 1.00 0.00 C ATOM 208 O LEU A 15 -4.137 13.802 0.043 1.00 0.00 O ATOM 209 CB LEU A 15 -3.396 17.008 0.221 1.00 0.00 C ATOM 210 CG LEU A 15 -3.823 17.474 -1.176 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.158 16.858 -1.566 1.00 0.00 C ATOM 212 CD2 LEU A 15 -3.910 18.991 -1.224 1.00 0.00 C ATOM 0 H LEU A 15 -1.053 16.716 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.615 15.354 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.286 16.932 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.762 17.778 0.662 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.070 17.142 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.441 17.203 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.070 15.772 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.921 17.158 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.214 19.307 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.643 19.337 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.935 19.419 -0.989 1.00 0.00 H new ATOM 224 N ARG A 16 -3.111 14.545 -1.816 1.00 0.00 N ATOM 225 CA ARG A 16 -3.714 13.539 -2.679 1.00 0.00 C ATOM 226 C ARG A 16 -3.289 12.152 -2.214 1.00 0.00 C ATOM 227 O ARG A 16 -4.126 11.285 -1.962 1.00 0.00 O ATOM 228 CB ARG A 16 -3.298 13.771 -4.127 1.00 0.00 C ATOM 229 CG ARG A 16 -3.533 12.574 -5.029 1.00 0.00 C ATOM 230 CD ARG A 16 -4.127 12.987 -6.367 1.00 0.00 C ATOM 231 NE ARG A 16 -3.481 14.187 -6.915 1.00 0.00 N ATOM 232 CZ ARG A 16 -3.828 14.764 -8.056 1.00 0.00 C ATOM 233 NH1 ARG A 16 -4.815 14.271 -8.779 1.00 0.00 N ATOM 234 NH2 ARG A 16 -3.189 15.841 -8.470 1.00 0.00 N ATOM 0 H ARG A 16 -2.484 15.192 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.800 13.615 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.848 14.625 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.240 14.033 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.590 12.052 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.204 11.871 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.025 12.166 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.194 13.174 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.716 14.603 -6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.316 13.441 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.078 14.720 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.428 16.229 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.455 16.286 -9.348 1.00 0.00 H new ATOM 248 N THR A 17 -1.980 11.959 -2.083 1.00 0.00 N ATOM 249 CA THR A 17 -1.432 10.684 -1.625 1.00 0.00 C ATOM 250 C THR A 17 -2.021 10.286 -0.269 1.00 0.00 C ATOM 251 O THR A 17 -2.280 9.107 -0.027 1.00 0.00 O ATOM 252 CB THR A 17 0.097 10.762 -1.527 1.00 0.00 C ATOM 253 OG1 THR A 17 0.675 10.959 -2.806 1.00 0.00 O ATOM 254 CG2 THR A 17 0.731 9.522 -0.932 1.00 0.00 C ATOM 0 H THR A 17 -1.277 12.669 -2.288 1.00 0.00 H new ATOM 0 HA THR A 17 -1.704 9.922 -2.356 1.00 0.00 H new ATOM 0 HB THR A 17 0.293 11.605 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.586 11.900 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.813 9.649 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.348 9.366 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.489 8.657 -1.550 1.00 0.00 H new ATOM 262 N LEU A 18 -2.230 11.270 0.616 1.00 0.00 N ATOM 263 CA LEU A 18 -2.784 10.996 1.944 1.00 0.00 C ATOM 264 C LEU A 18 -4.243 10.516 1.878 1.00 0.00 C ATOM 265 O LEU A 18 -4.718 9.849 2.799 1.00 0.00 O ATOM 266 CB LEU A 18 -2.651 12.238 2.846 1.00 0.00 C ATOM 267 CG LEU A 18 -3.931 13.054 3.069 1.00 0.00 C ATOM 268 CD1 LEU A 18 -4.735 12.488 4.229 1.00 0.00 C ATOM 269 CD2 LEU A 18 -3.595 14.513 3.329 1.00 0.00 C ATOM 0 H LEU A 18 -2.025 12.253 0.437 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.205 10.182 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.276 11.917 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.896 12.896 2.414 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.535 12.990 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.638 13.082 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.009 11.456 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.134 12.520 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.515 15.076 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.968 14.589 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.060 14.922 2.472 1.00 0.00 H new ATOM 281 N LEU A 19 -4.956 10.853 0.799 1.00 0.00 N ATOM 282 CA LEU A 19 -6.357 10.443 0.657 1.00 0.00 C ATOM 283 C LEU A 19 -6.550 9.351 -0.404 1.00 0.00 C ATOM 284 O LEU A 19 -7.404 8.476 -0.248 1.00 0.00 O ATOM 285 CB LEU A 19 -7.249 11.654 0.350 1.00 0.00 C ATOM 286 CG LEU A 19 -6.933 12.405 -0.947 1.00 0.00 C ATOM 287 CD1 LEU A 19 -7.786 11.884 -2.092 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.151 13.897 -0.761 1.00 0.00 C ATOM 0 H LEU A 19 -4.592 11.402 0.020 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.656 10.013 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.285 11.317 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.175 12.356 1.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.886 12.234 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.545 12.431 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.585 10.823 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.840 12.023 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.922 14.417 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.190 14.082 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.497 14.264 0.030 1.00 0.00 H new ATOM 315 N LEU A 21 -4.529 7.020 -1.063 1.00 0.00 N ATOM 316 CA LEU A 21 -3.812 5.807 -0.656 1.00 0.00 C ATOM 317 C LEU A 21 -4.783 4.631 -0.518 1.00 0.00 C ATOM 318 O LEU A 21 -4.400 3.475 -0.714 1.00 0.00 O ATOM 319 CB LEU A 21 -3.044 6.033 0.656 1.00 0.00 C ATOM 320 CG LEU A 21 -3.880 6.509 1.849 1.00 0.00 C ATOM 321 CD1 LEU A 21 -4.417 5.324 2.636 1.00 0.00 C ATOM 322 CD2 LEU A 21 -3.048 7.406 2.750 1.00 0.00 C ATOM 0 HA LEU A 21 -3.086 5.567 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.552 5.100 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.258 6.766 0.473 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.727 7.081 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.008 5.684 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.044 4.711 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.584 4.726 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.654 7.737 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.185 6.852 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.707 8.274 2.185 1.00 0.00 H new ATOM 334 N ALA A 22 -6.052 4.934 -0.209 1.00 0.00 N ATOM 335 CA ALA A 22 -7.081 3.902 -0.079 1.00 0.00 C ATOM 336 C ALA A 22 -7.144 3.042 -1.338 1.00 0.00 C ATOM 337 O ALA A 22 -7.291 1.819 -1.263 1.00 0.00 O ATOM 338 CB ALA A 22 -8.436 4.538 0.207 1.00 0.00 C ATOM 0 H ALA A 22 -6.386 5.884 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.819 3.257 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.191 3.758 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.383 5.106 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.704 5.206 -0.611 1.00 0.00 H new ATOM 344 N ARG A 23 -6.998 3.689 -2.496 1.00 0.00 N ATOM 345 CA ARG A 23 -7.004 2.982 -3.777 1.00 0.00 C ATOM 346 C ARG A 23 -5.875 1.954 -3.785 1.00 0.00 C ATOM 347 O ARG A 23 -6.092 0.769 -4.052 1.00 0.00 O ATOM 348 CB ARG A 23 -6.831 3.955 -4.949 1.00 0.00 C ATOM 349 CG ARG A 23 -7.660 5.223 -4.850 1.00 0.00 C ATOM 350 CD ARG A 23 -9.112 4.954 -4.480 1.00 0.00 C ATOM 351 NE ARG A 23 -9.825 6.216 -4.300 1.00 0.00 N ATOM 352 CZ ARG A 23 -11.126 6.347 -4.081 1.00 0.00 C ATOM 353 NH1 ARG A 23 -11.901 5.290 -3.945 1.00 0.00 N ATOM 354 NH2 ARG A 23 -11.640 7.556 -3.980 1.00 0.00 N ATOM 0 H ARG A 23 -6.875 4.699 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.966 2.483 -3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.779 4.230 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.091 3.439 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.217 5.884 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.625 5.749 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.592 4.364 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.159 4.366 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.273 7.072 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.502 4.353 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.900 5.408 -3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.039 8.375 -4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.639 7.673 -3.812 1.00 0.00 H new ATOM 368 N THR A 24 -4.669 2.423 -3.441 1.00 0.00 N ATOM 369 CA THR A 24 -3.493 1.557 -3.353 1.00 0.00 C ATOM 370 C THR A 24 -3.769 0.460 -2.334 1.00 0.00 C ATOM 371 O THR A 24 -3.529 -0.722 -2.595 1.00 0.00 O ATOM 372 CB THR A 24 -2.259 2.371 -2.947 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.925 3.308 -3.955 1.00 0.00 O ATOM 374 CG2 THR A 24 -1.032 1.523 -2.684 1.00 0.00 C ATOM 0 H THR A 24 -4.485 3.401 -3.219 1.00 0.00 H new ATOM 0 HA THR A 24 -3.292 1.109 -4.326 1.00 0.00 H new ATOM 0 HB THR A 24 -2.538 2.868 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.136 3.819 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.199 2.166 -2.402 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.240 0.823 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.773 0.968 -3.586 1.00 0.00 H new ATOM 382 N GLN A 25 -4.326 0.865 -1.185 1.00 0.00 N ATOM 383 CA GLN A 25 -4.698 -0.081 -0.143 1.00 0.00 C ATOM 384 C GLN A 25 -5.570 -1.162 -0.765 1.00 0.00 C ATOM 385 O GLN A 25 -5.250 -2.344 -0.701 1.00 0.00 O ATOM 386 CB GLN A 25 -5.455 0.632 0.983 1.00 0.00 C ATOM 387 CG GLN A 25 -5.071 0.164 2.378 1.00 0.00 C ATOM 388 CD GLN A 25 -4.640 1.307 3.273 1.00 0.00 C ATOM 389 OE1 GLN A 25 -5.423 2.202 3.574 1.00 0.00 O ATOM 390 NE2 GLN A 25 -3.387 1.287 3.698 1.00 0.00 N ATOM 0 H GLN A 25 -4.526 1.840 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.802 -0.528 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.273 1.704 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.525 0.480 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.919 -0.349 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.261 -0.562 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.768 0.524 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.040 2.035 4.299 1.00 0.00 H new ATOM 399 N SER A 26 -6.648 -0.723 -1.415 1.00 0.00 N ATOM 400 CA SER A 26 -7.567 -1.622 -2.116 1.00 0.00 C ATOM 401 C SER A 26 -6.796 -2.524 -3.068 1.00 0.00 C ATOM 402 O SER A 26 -6.980 -3.743 -3.078 1.00 0.00 O ATOM 403 CB SER A 26 -8.587 -0.815 -2.917 1.00 0.00 C ATOM 404 OG SER A 26 -9.506 -1.670 -3.586 1.00 0.00 O ATOM 0 H SER A 26 -6.909 0.262 -1.471 1.00 0.00 H new ATOM 0 HA SER A 26 -8.083 -2.230 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.129 -0.144 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.070 -0.191 -3.646 1.00 0.00 H new ATOM 0 HG SER A 26 -10.239 -1.136 -3.957 1.00 0.00 H new ATOM 410 N GLN A 27 -5.937 -1.899 -3.874 1.00 0.00 N ATOM 411 CA GLN A 27 -5.115 -2.617 -4.848 1.00 0.00 C ATOM 412 C GLN A 27 -4.367 -3.780 -4.194 1.00 0.00 C ATOM 413 O GLN A 27 -4.348 -4.890 -4.726 1.00 0.00 O ATOM 414 CB GLN A 27 -4.126 -1.656 -5.514 1.00 0.00 C ATOM 415 CG GLN A 27 -3.843 -1.987 -6.972 1.00 0.00 C ATOM 416 CD GLN A 27 -5.061 -1.816 -7.860 1.00 0.00 C ATOM 417 OE1 GLN A 27 -5.843 -2.745 -8.050 1.00 0.00 O ATOM 418 NE2 GLN A 27 -5.231 -0.624 -8.412 1.00 0.00 N ATOM 0 H GLN A 27 -5.792 -0.889 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.777 -3.031 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.519 -0.641 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.188 -1.670 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.040 -1.346 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.488 -3.015 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.560 0.122 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.033 -0.453 -9.019 1.00 0.00 H new ATOM 427 N ARG A 28 -3.767 -3.527 -3.036 1.00 0.00 N ATOM 428 CA ARG A 28 -3.038 -4.563 -2.312 1.00 0.00 C ATOM 429 C ARG A 28 -3.992 -5.430 -1.488 1.00 0.00 C ATOM 430 O ARG A 28 -3.865 -6.655 -1.458 1.00 0.00 O ATOM 431 CB ARG A 28 -1.964 -3.945 -1.426 1.00 0.00 C ATOM 432 CG ARG A 28 -2.488 -3.402 -0.112 1.00 0.00 C ATOM 433 CD ARG A 28 -1.354 -3.072 0.843 1.00 0.00 C ATOM 434 NE ARG A 28 -0.173 -3.896 0.572 1.00 0.00 N ATOM 435 CZ ARG A 28 -0.066 -5.184 0.889 1.00 0.00 C ATOM 436 NH1 ARG A 28 -1.033 -5.811 1.522 1.00 0.00 N ATOM 437 NH2 ARG A 28 1.014 -5.857 0.558 1.00 0.00 N ATOM 0 H ARG A 28 -3.771 -2.615 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.548 -5.206 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.201 -4.696 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.476 -3.138 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.082 -2.507 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.151 -4.135 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.093 -2.018 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.683 -3.231 1.870 1.00 0.00 H new ATOM 0 HE ARG A 28 0.620 -3.453 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.884 -5.310 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.933 -6.799 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.771 -5.392 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.094 -6.844 0.802 1.00 0.00 H new ATOM 451 N GLU A 29 -4.954 -4.780 -0.831 1.00 0.00 N ATOM 452 CA GLU A 29 -5.944 -5.466 -0.014 1.00 0.00 C ATOM 453 C GLU A 29 -6.585 -6.605 -0.791 1.00 0.00 C ATOM 454 O GLU A 29 -6.568 -7.751 -0.351 1.00 0.00 O ATOM 455 CB GLU A 29 -7.013 -4.472 0.442 1.00 0.00 C ATOM 456 CG GLU A 29 -7.357 -4.583 1.914 1.00 0.00 C ATOM 457 CD GLU A 29 -8.844 -4.486 2.171 1.00 0.00 C ATOM 458 OE1 GLU A 29 -9.357 -3.349 2.250 1.00 0.00 O ATOM 459 OE2 GLU A 29 -9.498 -5.545 2.286 1.00 0.00 O ATOM 0 H GLU A 29 -5.065 -3.766 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.447 -5.886 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.668 -3.459 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.917 -4.628 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.986 -5.533 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.844 -3.794 2.464 1.00 0.00 H new ATOM 466 N ARG A 30 -7.131 -6.278 -1.958 1.00 0.00 N ATOM 467 CA ARG A 30 -7.770 -7.267 -2.826 1.00 0.00 C ATOM 468 C ARG A 30 -6.844 -8.451 -3.110 1.00 0.00 C ATOM 469 O ARG A 30 -7.308 -9.581 -3.260 1.00 0.00 O ATOM 470 CB ARG A 30 -8.197 -6.619 -4.140 1.00 0.00 C ATOM 471 CG ARG A 30 -7.021 -6.220 -5.013 1.00 0.00 C ATOM 472 CD ARG A 30 -7.449 -5.320 -6.153 1.00 0.00 C ATOM 473 NE ARG A 30 -8.138 -4.124 -5.668 1.00 0.00 N ATOM 474 CZ ARG A 30 -8.768 -3.265 -6.450 1.00 0.00 C ATOM 475 NH1 ARG A 30 -8.785 -3.443 -7.758 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.378 -2.221 -5.924 1.00 0.00 N ATOM 0 H ARG A 30 -7.144 -5.328 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.649 -7.644 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.833 -7.312 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.799 -5.736 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.274 -5.708 -4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.546 -7.115 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.574 -5.026 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.106 -5.871 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.132 -3.942 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.310 -4.247 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.273 -2.777 -8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.363 -2.077 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.865 -1.557 -6.527 1.00 0.00 H new ATOM 490 N ALA A 31 -5.537 -8.187 -3.170 1.00 0.00 N ATOM 491 CA ALA A 31 -4.549 -9.232 -3.422 1.00 0.00 C ATOM 492 C ALA A 31 -4.329 -10.069 -2.168 1.00 0.00 C ATOM 493 O ALA A 31 -4.351 -11.300 -2.215 1.00 0.00 O ATOM 494 CB ALA A 31 -3.238 -8.618 -3.900 1.00 0.00 C ATOM 0 H ALA A 31 -5.140 -7.256 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.926 -9.887 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.511 -9.409 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.411 -8.063 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.853 -7.942 -3.136 1.00 0.00 H new ATOM 500 N GLU A 32 -4.147 -9.386 -1.044 1.00 0.00 N ATOM 501 CA GLU A 32 -3.953 -10.055 0.242 1.00 0.00 C ATOM 502 C GLU A 32 -5.239 -10.743 0.657 1.00 0.00 C ATOM 503 O GLU A 32 -5.263 -11.942 0.913 1.00 0.00 O ATOM 504 CB GLU A 32 -3.538 -9.051 1.317 1.00 0.00 C ATOM 505 CG GLU A 32 -2.296 -9.464 2.107 1.00 0.00 C ATOM 506 CD GLU A 32 -1.008 -9.358 1.314 1.00 0.00 C ATOM 507 OE1 GLU A 32 -0.388 -8.273 1.333 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.608 -10.365 0.690 1.00 0.00 O ATOM 0 H GLU A 32 -4.129 -8.367 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.159 -10.794 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.352 -8.086 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.368 -8.913 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.217 -8.839 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.419 -10.492 2.449 1.00 0.00 H new ATOM 515 N GLN A 33 -6.320 -9.981 0.693 1.00 0.00 N ATOM 516 CA GLN A 33 -7.620 -10.534 1.045 1.00 0.00 C ATOM 517 C GLN A 33 -7.910 -11.765 0.185 1.00 0.00 C ATOM 518 O GLN A 33 -8.485 -12.744 0.661 1.00 0.00 O ATOM 519 CB GLN A 33 -8.717 -9.480 0.876 1.00 0.00 C ATOM 520 CG GLN A 33 -9.188 -8.877 2.192 1.00 0.00 C ATOM 521 CD GLN A 33 -10.157 -9.776 2.935 1.00 0.00 C ATOM 522 OE1 GLN A 33 -9.759 -10.585 3.770 1.00 0.00 O ATOM 523 NE2 GLN A 33 -11.440 -9.639 2.634 1.00 0.00 N ATOM 0 H GLN A 33 -6.325 -8.983 0.484 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.605 -10.836 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.347 -8.682 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.569 -9.932 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.324 -8.679 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.666 -7.917 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.730 -8.955 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.138 -10.217 3.102 1.00 0.00 H new ATOM 532 N ASN A 34 -7.468 -11.721 -1.076 1.00 0.00 N ATOM 533 CA ASN A 34 -7.642 -12.838 -1.989 1.00 0.00 C ATOM 534 C ASN A 34 -6.999 -14.097 -1.405 1.00 0.00 C ATOM 535 O ASN A 34 -7.643 -15.143 -1.327 1.00 0.00 O ATOM 536 CB ASN A 34 -7.024 -12.504 -3.349 1.00 0.00 C ATOM 537 CG ASN A 34 -8.053 -12.450 -4.462 1.00 0.00 C ATOM 538 OD1 ASN A 34 -8.360 -13.458 -5.091 1.00 0.00 O ATOM 539 ND2 ASN A 34 -8.591 -11.267 -4.711 1.00 0.00 N ATOM 0 H ASN A 34 -6.987 -10.918 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.707 -13.023 -2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.513 -11.543 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.269 -13.251 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.288 -11.169 -5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.308 -10.453 -4.165 1.00 0.00 H new ATOM 546 N ARG A 35 -5.736 -13.984 -0.964 1.00 0.00 N ATOM 547 CA ARG A 35 -5.038 -15.117 -0.363 1.00 0.00 C ATOM 548 C ARG A 35 -5.544 -15.363 1.060 1.00 0.00 C ATOM 549 O ARG A 35 -5.648 -16.508 1.500 1.00 0.00 O ATOM 550 CB ARG A 35 -3.518 -14.898 -0.394 1.00 0.00 C ATOM 551 CG ARG A 35 -3.030 -13.862 0.599 1.00 0.00 C ATOM 552 CD ARG A 35 -1.652 -13.323 0.242 1.00 0.00 C ATOM 553 NE ARG A 35 -0.568 -14.159 0.770 1.00 0.00 N ATOM 554 CZ ARG A 35 0.621 -13.695 1.157 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.885 -12.399 1.138 1.00 0.00 N ATOM 556 NH2 ARG A 35 1.546 -14.535 1.578 1.00 0.00 N ATOM 0 H ARG A 35 -5.187 -13.126 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.251 -16.010 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.019 -15.846 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.225 -14.592 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.741 -13.037 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.998 -14.304 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.561 -13.257 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.549 -12.311 0.633 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.735 -15.162 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.174 -11.738 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.799 -12.060 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.351 -15.536 1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.457 -14.184 1.875 1.00 0.00 H new ATOM 570 N ILE A 36 -5.892 -14.283 1.759 1.00 0.00 N ATOM 571 CA ILE A 36 -6.425 -14.379 3.121 1.00 0.00 C ATOM 572 C ILE A 36 -7.728 -15.175 3.125 1.00 0.00 C ATOM 573 O ILE A 36 -7.944 -16.038 3.979 1.00 0.00 O ATOM 574 CB ILE A 36 -6.671 -12.981 3.739 1.00 0.00 C ATOM 575 CG1 ILE A 36 -5.344 -12.236 3.932 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.413 -13.096 5.066 1.00 0.00 C ATOM 577 CD1 ILE A 36 -4.468 -12.824 5.016 1.00 0.00 C ATOM 0 H ILE A 36 -5.815 -13.329 1.405 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.679 -14.893 3.727 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.293 -12.411 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.795 -12.241 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.554 -11.194 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.574 -12.101 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.375 -13.582 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.821 -13.688 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.548 -12.245 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.998 -12.794 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.226 -13.857 4.768 1.00 0.00 H new ATOM 589 N ILE A 37 -8.583 -14.887 2.149 1.00 0.00 N ATOM 590 CA ILE A 37 -9.858 -15.581 2.011 1.00 0.00 C ATOM 591 C ILE A 37 -9.645 -16.979 1.432 1.00 0.00 C ATOM 592 O ILE A 37 -10.144 -17.962 1.976 1.00 0.00 O ATOM 593 CB ILE A 37 -10.840 -14.791 1.113 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.195 -13.449 1.761 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.102 -15.604 0.847 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.966 -13.583 3.058 1.00 0.00 C ATOM 0 H ILE A 37 -8.415 -14.174 1.439 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.295 -15.663 3.006 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.351 -14.598 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.277 -12.893 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.784 -12.861 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.778 -15.030 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.836 -16.534 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.595 -15.831 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.181 -12.592 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.902 -14.110 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.371 -14.143 3.779 1.00 0.00 H new ATOM 608 N PHE A 38 -8.882 -17.066 0.338 1.00 0.00 N ATOM 609 CA PHE A 38 -8.595 -18.352 -0.300 1.00 0.00 C ATOM 610 C PHE A 38 -8.097 -19.377 0.719 1.00 0.00 C ATOM 611 O PHE A 38 -8.501 -20.539 0.692 1.00 0.00 O ATOM 612 CB PHE A 38 -7.557 -18.173 -1.412 1.00 0.00 C ATOM 613 CG PHE A 38 -8.074 -18.526 -2.777 1.00 0.00 C ATOM 614 CD1 PHE A 38 -8.223 -19.852 -3.153 1.00 0.00 C ATOM 615 CD2 PHE A 38 -8.415 -17.534 -3.682 1.00 0.00 C ATOM 616 CE1 PHE A 38 -8.700 -20.180 -4.407 1.00 0.00 C ATOM 617 CE2 PHE A 38 -8.893 -17.856 -4.937 1.00 0.00 C ATOM 618 CZ PHE A 38 -9.035 -19.181 -5.301 1.00 0.00 C ATOM 0 H PHE A 38 -8.454 -16.263 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.523 -18.725 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.217 -17.137 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.688 -18.792 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.963 -20.637 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.306 -16.496 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.811 -21.217 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.155 -17.073 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.407 -19.436 -6.282 1.00 0.00 H new