USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= -1.03 F(o=-2.4!,f=-1) USER MOD Set 2.1: A 3 SER OG : rot 72:sc= 1.91 USER MOD Set 2.2: A 80 THR OG1 : rot 137:sc= -0.13 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.19) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.835 K(o=0.83,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.811) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.32 (180deg=1.05) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= -0.124 (180deg=-0.557) USER MOD Single : A 45 THR OG1 : rot -160:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0.623 (180deg=0.374) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.304) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 131:sc= 1.08 USER MOD Single : A 91 SER OG : rot 87:sc= 1.16 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc=-0.00231 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 79.829 -10.048 -6.003 1.00 0.00 N ATOM 21 CA ASN A 2 81.154 -10.367 -6.517 1.00 0.00 C ATOM 22 C ASN A 2 81.848 -9.081 -6.949 1.00 0.00 C ATOM 23 O ASN A 2 81.265 -7.999 -6.848 1.00 0.00 O ATOM 24 CB ASN A 2 81.086 -11.354 -7.692 1.00 0.00 C ATOM 25 CG ASN A 2 80.698 -12.767 -7.284 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.918 -12.982 -6.358 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.255 -13.746 -7.973 1.00 0.00 N ATOM 0 HA ASN A 2 81.724 -10.848 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.366 -10.986 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.056 -11.382 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.042 -14.717 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 2 81.898 -13.532 -8.735 1.00 0.00 H new ATOM 34 N SER A 3 83.075 -9.196 -7.447 1.00 0.00 N ATOM 35 CA SER A 3 83.871 -8.028 -7.819 1.00 0.00 C ATOM 36 C SER A 3 83.174 -7.205 -8.899 1.00 0.00 C ATOM 37 O SER A 3 83.224 -5.975 -8.890 1.00 0.00 O ATOM 38 CB SER A 3 85.244 -8.473 -8.321 1.00 0.00 C ATOM 39 OG SER A 3 85.796 -9.455 -7.463 1.00 0.00 O ATOM 0 H SER A 3 83.542 -10.089 -7.603 1.00 0.00 H new ATOM 0 HA SER A 3 83.987 -7.403 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.155 -8.874 -9.331 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.913 -7.614 -8.376 1.00 0.00 H new ATOM 0 HG SER A 3 85.308 -10.298 -7.574 1.00 0.00 H new ATOM 45 N GLU A 4 82.516 -7.897 -9.819 1.00 0.00 N ATOM 46 CA GLU A 4 81.822 -7.251 -10.924 1.00 0.00 C ATOM 47 C GLU A 4 80.668 -6.391 -10.405 1.00 0.00 C ATOM 48 O GLU A 4 80.395 -5.313 -10.932 1.00 0.00 O ATOM 49 CB GLU A 4 81.312 -8.323 -11.884 1.00 0.00 C ATOM 50 CG GLU A 4 80.793 -7.792 -13.205 1.00 0.00 C ATOM 51 CD GLU A 4 80.597 -8.906 -14.207 1.00 0.00 C ATOM 52 OE1 GLU A 4 81.573 -9.256 -14.903 1.00 0.00 O ATOM 53 OE2 GLU A 4 79.481 -9.463 -14.280 1.00 0.00 O ATOM 0 H GLU A 4 82.448 -8.915 -9.821 1.00 0.00 H new ATOM 0 HA GLU A 4 82.511 -6.593 -11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.119 -9.028 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.515 -8.882 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.847 -7.274 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 4 81.494 -7.059 -13.605 1.00 0.00 H new ATOM 60 N VAL A 5 80.015 -6.870 -9.350 1.00 0.00 N ATOM 61 CA VAL A 5 78.930 -6.133 -8.712 1.00 0.00 C ATOM 62 C VAL A 5 79.455 -4.836 -8.105 1.00 0.00 C ATOM 63 O VAL A 5 78.815 -3.786 -8.204 1.00 0.00 O ATOM 64 CB VAL A 5 78.245 -6.984 -7.618 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.232 -6.165 -6.826 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.578 -8.198 -8.244 1.00 0.00 C ATOM 0 H VAL A 5 80.220 -7.771 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 5 78.191 -5.898 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 5 79.012 -7.320 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 5 76.770 -6.795 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.737 -5.327 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.463 -5.787 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.098 -8.791 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 76.828 -7.870 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.328 -8.804 -8.752 1.00 0.00 H new ATOM 76 N ILE A 6 80.632 -4.919 -7.496 1.00 0.00 N ATOM 77 CA ILE A 6 81.283 -3.750 -6.921 1.00 0.00 C ATOM 78 C ILE A 6 81.599 -2.733 -8.012 1.00 0.00 C ATOM 79 O ILE A 6 81.317 -1.545 -7.863 1.00 0.00 O ATOM 80 CB ILE A 6 82.585 -4.132 -6.181 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.291 -5.171 -5.094 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.240 -2.894 -5.574 1.00 0.00 C ATOM 83 CD1 ILE A 6 83.526 -5.662 -4.369 1.00 0.00 C ATOM 0 H ILE A 6 81.156 -5.787 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 6 80.594 -3.312 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 6 83.278 -4.567 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 6 81.602 -4.739 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 6 81.784 -6.023 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.155 -3.183 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.479 -2.184 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.554 -2.430 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.238 -6.395 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.207 -6.125 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.023 -4.821 -3.886 1.00 0.00 H new ATOM 95 N LYS A 7 82.164 -3.215 -9.118 1.00 0.00 N ATOM 96 CA LYS A 7 82.483 -2.358 -10.258 1.00 0.00 C ATOM 97 C LYS A 7 81.238 -1.629 -10.746 1.00 0.00 C ATOM 98 O LYS A 7 81.251 -0.412 -10.930 1.00 0.00 O ATOM 99 CB LYS A 7 83.075 -3.177 -11.408 1.00 0.00 C ATOM 100 CG LYS A 7 84.417 -3.813 -11.095 1.00 0.00 C ATOM 101 CD LYS A 7 84.972 -4.542 -12.308 1.00 0.00 C ATOM 102 CE LYS A 7 86.360 -5.093 -12.039 1.00 0.00 C ATOM 103 NZ LYS A 7 86.970 -5.687 -13.258 1.00 0.00 N ATOM 0 H LYS A 7 82.410 -4.196 -9.249 1.00 0.00 H new ATOM 0 HA LYS A 7 83.221 -1.627 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.369 -3.961 -11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.186 -2.531 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.121 -3.045 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.308 -4.511 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 7 84.302 -5.357 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.008 -3.861 -13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.001 -4.294 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.304 -5.849 -11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.864 -6.156 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.317 -6.385 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.157 -4.937 -13.954 1.00 0.00 H new ATOM 117 N GLU A 8 80.167 -2.388 -10.938 1.00 0.00 N ATOM 118 CA GLU A 8 78.897 -1.843 -11.400 1.00 0.00 C ATOM 119 C GLU A 8 78.382 -0.758 -10.454 1.00 0.00 C ATOM 120 O GLU A 8 77.956 0.312 -10.892 1.00 0.00 O ATOM 121 CB GLU A 8 77.870 -2.967 -11.519 1.00 0.00 C ATOM 122 CG GLU A 8 76.501 -2.498 -11.968 1.00 0.00 C ATOM 123 CD GLU A 8 75.524 -3.637 -12.111 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.567 -4.333 -13.147 1.00 0.00 O ATOM 125 OE2 GLU A 8 74.704 -3.840 -11.186 1.00 0.00 O ATOM 0 H GLU A 8 80.154 -3.395 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 8 79.054 -1.387 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 8 78.239 -3.711 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 8 77.775 -3.464 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 8 76.112 -1.777 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.592 -1.979 -12.922 1.00 0.00 H new ATOM 132 N PHE A 9 78.435 -1.040 -9.156 1.00 0.00 N ATOM 133 CA PHE A 9 77.997 -0.088 -8.140 1.00 0.00 C ATOM 134 C PHE A 9 78.795 1.208 -8.248 1.00 0.00 C ATOM 135 O PHE A 9 78.247 2.304 -8.130 1.00 0.00 O ATOM 136 CB PHE A 9 78.160 -0.698 -6.743 1.00 0.00 C ATOM 137 CG PHE A 9 77.771 0.225 -5.621 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.437 0.450 -5.320 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.741 0.868 -4.867 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.079 1.297 -4.289 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.388 1.716 -3.836 1.00 0.00 C ATOM 142 CZ PHE A 9 77.055 1.932 -3.547 1.00 0.00 C ATOM 0 H PHE A 9 78.779 -1.924 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 9 76.944 0.140 -8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.556 -1.603 -6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.199 -0.998 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.669 -0.042 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.785 0.704 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.036 1.462 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.154 2.210 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 76.777 2.596 -2.742 1.00 0.00 H new ATOM 152 N LEU A 10 80.090 1.070 -8.490 1.00 0.00 N ATOM 153 CA LEU A 10 80.971 2.216 -8.633 1.00 0.00 C ATOM 154 C LEU A 10 80.623 3.017 -9.884 1.00 0.00 C ATOM 155 O LEU A 10 80.564 4.246 -9.845 1.00 0.00 O ATOM 156 CB LEU A 10 82.426 1.754 -8.680 1.00 0.00 C ATOM 157 CG LEU A 10 82.889 0.988 -7.440 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.272 0.405 -7.657 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.880 1.893 -6.218 1.00 0.00 C ATOM 0 H LEU A 10 80.555 0.168 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 10 80.835 2.867 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.564 1.120 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.067 2.626 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 10 82.193 0.167 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.583 -0.136 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.250 -0.279 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.979 1.210 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.212 1.330 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.552 2.735 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.869 2.263 -6.047 1.00 0.00 H new ATOM 171 N GLU A 11 80.372 2.318 -10.987 1.00 0.00 N ATOM 172 CA GLU A 11 80.002 2.974 -12.238 1.00 0.00 C ATOM 173 C GLU A 11 78.688 3.732 -12.079 1.00 0.00 C ATOM 174 O GLU A 11 78.495 4.793 -12.670 1.00 0.00 O ATOM 175 CB GLU A 11 79.883 1.955 -13.373 1.00 0.00 C ATOM 176 CG GLU A 11 81.178 1.217 -13.668 1.00 0.00 C ATOM 177 CD GLU A 11 81.064 0.280 -14.852 1.00 0.00 C ATOM 178 OE1 GLU A 11 80.284 -0.694 -14.775 1.00 0.00 O ATOM 179 OE2 GLU A 11 81.764 0.505 -15.863 1.00 0.00 O ATOM 0 H GLU A 11 80.418 1.300 -11.041 1.00 0.00 H new ATOM 0 HA GLU A 11 80.790 3.684 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.111 1.229 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.553 2.467 -14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.969 1.943 -13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.475 0.647 -12.787 1.00 0.00 H new ATOM 186 N ASP A 12 77.791 3.182 -11.271 1.00 0.00 N ATOM 187 CA ASP A 12 76.504 3.817 -11.011 1.00 0.00 C ATOM 188 C ASP A 12 76.675 5.127 -10.253 1.00 0.00 C ATOM 189 O ASP A 12 76.147 6.160 -10.663 1.00 0.00 O ATOM 190 CB ASP A 12 75.591 2.883 -10.220 1.00 0.00 C ATOM 191 CG ASP A 12 74.283 3.549 -9.838 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.448 3.781 -10.737 1.00 0.00 O ATOM 193 OD2 ASP A 12 74.081 3.829 -8.637 1.00 0.00 O ATOM 0 H ASP A 12 77.930 2.297 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 12 76.047 4.033 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.384 1.992 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.106 2.553 -9.318 1.00 0.00 H new ATOM 198 N ILE A 13 77.428 5.086 -9.160 1.00 0.00 N ATOM 199 CA ILE A 13 77.618 6.268 -8.324 1.00 0.00 C ATOM 200 C ILE A 13 78.594 7.258 -8.960 1.00 0.00 C ATOM 201 O ILE A 13 78.792 8.361 -8.448 1.00 0.00 O ATOM 202 CB ILE A 13 78.109 5.902 -6.906 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.445 5.154 -6.969 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.059 5.067 -6.185 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.036 4.840 -5.609 1.00 0.00 C ATOM 0 H ILE A 13 77.915 4.252 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 13 76.639 6.741 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 13 78.265 6.824 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.303 4.222 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.159 5.752 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.417 4.815 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.133 5.636 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.875 4.151 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.980 4.310 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.211 5.768 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.342 4.215 -5.046 1.00 0.00 H new ATOM 217 N GLY A 14 79.211 6.853 -10.066 1.00 0.00 N ATOM 218 CA GLY A 14 80.091 7.742 -10.802 1.00 0.00 C ATOM 219 C GLY A 14 81.512 7.718 -10.280 1.00 0.00 C ATOM 220 O GLY A 14 82.270 8.668 -10.471 1.00 0.00 O ATOM 0 H GLY A 14 79.116 5.920 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 14 80.090 7.459 -11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.704 8.759 -10.745 1.00 0.00 H new ATOM 224 N GLU A 15 81.880 6.624 -9.637 1.00 0.00 N ATOM 225 CA GLU A 15 83.198 6.493 -9.042 1.00 0.00 C ATOM 226 C GLU A 15 84.182 5.895 -10.047 1.00 0.00 C ATOM 227 O GLU A 15 83.785 5.189 -10.977 1.00 0.00 O ATOM 228 CB GLU A 15 83.114 5.623 -7.783 1.00 0.00 C ATOM 229 CG GLU A 15 84.408 5.557 -6.988 1.00 0.00 C ATOM 230 CD GLU A 15 84.956 6.931 -6.671 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.486 7.558 -5.706 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.855 7.396 -7.403 1.00 0.00 O ATOM 0 H GLU A 15 81.280 5.808 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 15 83.561 7.482 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.324 6.009 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.825 4.612 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.234 5.014 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 15 85.151 4.993 -7.552 1.00 0.00 H new ATOM 239 N ASP A 16 85.460 6.195 -9.866 1.00 0.00 N ATOM 240 CA ASP A 16 86.505 5.653 -10.721 1.00 0.00 C ATOM 241 C ASP A 16 87.240 4.539 -10.004 1.00 0.00 C ATOM 242 O ASP A 16 87.781 4.741 -8.916 1.00 0.00 O ATOM 243 CB ASP A 16 87.511 6.731 -11.131 1.00 0.00 C ATOM 244 CG ASP A 16 86.951 7.719 -12.128 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.923 7.401 -13.336 1.00 0.00 O ATOM 246 OD2 ASP A 16 86.565 8.829 -11.714 1.00 0.00 O ATOM 0 H ASP A 16 85.799 6.815 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 16 86.024 5.266 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.840 7.269 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.392 6.253 -11.559 1.00 0.00 H new ATOM 251 N TYR A 17 87.255 3.370 -10.609 1.00 0.00 N ATOM 252 CA TYR A 17 87.985 2.247 -10.057 1.00 0.00 C ATOM 253 C TYR A 17 89.115 1.855 -10.987 1.00 0.00 C ATOM 254 O TYR A 17 88.935 1.767 -12.202 1.00 0.00 O ATOM 255 CB TYR A 17 87.058 1.051 -9.803 1.00 0.00 C ATOM 256 CG TYR A 17 86.267 0.597 -11.012 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.051 1.188 -11.329 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.731 -0.427 -11.830 1.00 0.00 C ATOM 259 CE1 TYR A 17 84.322 0.775 -12.425 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.005 -0.846 -12.928 1.00 0.00 C ATOM 261 CZ TYR A 17 84.802 -0.241 -13.222 1.00 0.00 C ATOM 262 OH TYR A 17 84.072 -0.661 -14.310 1.00 0.00 O ATOM 0 H TYR A 17 86.770 3.172 -11.484 1.00 0.00 H new ATOM 0 HA TYR A 17 88.404 2.551 -9.098 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.657 0.215 -9.442 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.361 1.311 -9.006 1.00 0.00 H new ATOM 0 HD1 TYR A 17 84.670 1.984 -10.707 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.674 -0.902 -11.603 1.00 0.00 H new ATOM 0 HE1 TYR A 17 83.379 1.246 -12.657 1.00 0.00 H new ATOM 0 HE2 TYR A 17 86.378 -1.644 -13.553 1.00 0.00 H new ATOM 0 HH TYR A 17 84.551 -1.384 -14.766 1.00 0.00 H new ATOM 272 N ILE A 18 90.289 1.657 -10.423 1.00 0.00 N ATOM 273 CA ILE A 18 91.421 1.211 -11.204 1.00 0.00 C ATOM 274 C ILE A 18 91.715 -0.243 -10.884 1.00 0.00 C ATOM 275 O ILE A 18 92.433 -0.550 -9.931 1.00 0.00 O ATOM 276 CB ILE A 18 92.675 2.072 -10.939 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.346 3.553 -11.140 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.816 1.648 -11.857 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.519 4.476 -10.899 1.00 0.00 C ATOM 0 H ILE A 18 90.482 1.797 -9.431 1.00 0.00 H new ATOM 0 HA ILE A 18 91.166 1.316 -12.259 1.00 0.00 H new ATOM 0 HB ILE A 18 92.993 1.922 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 18 91.983 3.700 -12.157 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.534 3.830 -10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.692 2.265 -11.657 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.060 0.601 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.513 1.774 -12.896 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.209 5.508 -11.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.870 4.359 -9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.325 4.227 -11.589 1.00 0.00 H new ATOM 291 N GLU A 19 91.122 -1.136 -11.659 1.00 0.00 N ATOM 292 CA GLU A 19 91.303 -2.558 -11.448 1.00 0.00 C ATOM 293 C GLU A 19 92.362 -3.084 -12.400 1.00 0.00 C ATOM 294 O GLU A 19 92.139 -3.190 -13.609 1.00 0.00 O ATOM 295 CB GLU A 19 89.975 -3.307 -11.612 1.00 0.00 C ATOM 296 CG GLU A 19 90.002 -4.750 -11.114 1.00 0.00 C ATOM 297 CD GLU A 19 90.462 -5.744 -12.162 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.616 -6.189 -12.967 1.00 0.00 O ATOM 299 OE2 GLU A 19 91.661 -6.088 -12.188 1.00 0.00 O ATOM 0 H GLU A 19 90.511 -0.898 -12.440 1.00 0.00 H new ATOM 0 HA GLU A 19 91.644 -2.728 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.197 -2.764 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 19 89.697 -3.304 -12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.662 -4.815 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.004 -5.028 -10.775 1.00 0.00 H new ATOM 306 N LEU A 20 93.521 -3.378 -11.844 1.00 0.00 N ATOM 307 CA LEU A 20 94.648 -3.866 -12.613 1.00 0.00 C ATOM 308 C LEU A 20 95.145 -5.172 -12.026 1.00 0.00 C ATOM 309 O LEU A 20 95.483 -5.228 -10.846 1.00 0.00 O ATOM 310 CB LEU A 20 95.785 -2.843 -12.604 1.00 0.00 C ATOM 311 CG LEU A 20 95.464 -1.496 -13.253 1.00 0.00 C ATOM 312 CD1 LEU A 20 96.631 -0.536 -13.082 1.00 0.00 C ATOM 313 CD2 LEU A 20 95.131 -1.677 -14.727 1.00 0.00 C ATOM 0 H LEU A 20 93.708 -3.285 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 20 94.322 -4.026 -13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.084 -2.667 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.645 -3.277 -13.115 1.00 0.00 H new ATOM 0 HG LEU A 20 94.591 -1.072 -12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 20 96.388 0.419 -13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.823 -0.382 -12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.519 -0.955 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 94.906 -0.707 -15.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 95.983 -2.122 -15.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 94.265 -2.332 -14.827 1.00 0.00 H new ATOM 325 N GLU A 21 95.162 -6.218 -12.846 1.00 0.00 N ATOM 326 CA GLU A 21 95.699 -7.515 -12.440 1.00 0.00 C ATOM 327 C GLU A 21 94.965 -8.057 -11.216 1.00 0.00 C ATOM 328 O GLU A 21 95.572 -8.685 -10.346 1.00 0.00 O ATOM 329 CB GLU A 21 97.195 -7.392 -12.143 1.00 0.00 C ATOM 330 CG GLU A 21 97.998 -6.821 -13.298 1.00 0.00 C ATOM 331 CD GLU A 21 99.471 -6.733 -12.982 1.00 0.00 C ATOM 332 OE1 GLU A 21 100.156 -7.774 -13.046 1.00 0.00 O ATOM 333 OE2 GLU A 21 99.956 -5.627 -12.664 1.00 0.00 O ATOM 0 H GLU A 21 94.808 -6.193 -13.802 1.00 0.00 H new ATOM 0 HA GLU A 21 95.551 -8.216 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.332 -6.758 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.589 -8.376 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 21 97.854 -7.444 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 21 97.621 -5.828 -13.544 1.00 0.00 H new ATOM 340 N ASN A 22 93.655 -7.806 -11.169 1.00 0.00 N ATOM 341 CA ASN A 22 92.793 -8.246 -10.069 1.00 0.00 C ATOM 342 C ASN A 22 93.029 -7.406 -8.817 1.00 0.00 C ATOM 343 O ASN A 22 92.796 -7.862 -7.700 1.00 0.00 O ATOM 344 CB ASN A 22 92.974 -9.743 -9.753 1.00 0.00 C ATOM 345 CG ASN A 22 92.272 -10.661 -10.744 1.00 0.00 C ATOM 346 OD1 ASN A 22 92.163 -10.235 -11.993 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 91.834 -11.753 -10.386 1.00 0.00 N flip ATOM 0 H ASN A 22 93.160 -7.290 -11.896 1.00 0.00 H new ATOM 0 HA ASN A 22 91.764 -8.101 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.038 -9.978 -9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 22 92.594 -9.944 -8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 22 91.935 -12.050 -9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 22 91.369 -12.362 -11.060 1.00 0.00 H new ATOM 354 N GLU A 23 93.495 -6.178 -9.008 1.00 0.00 N ATOM 355 CA GLU A 23 93.586 -5.216 -7.918 1.00 0.00 C ATOM 356 C GLU A 23 92.648 -4.045 -8.172 1.00 0.00 C ATOM 357 O GLU A 23 92.862 -3.275 -9.103 1.00 0.00 O ATOM 358 CB GLU A 23 95.008 -4.669 -7.775 1.00 0.00 C ATOM 359 CG GLU A 23 96.031 -5.658 -7.248 1.00 0.00 C ATOM 360 CD GLU A 23 97.392 -5.011 -7.081 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.442 -3.827 -6.666 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.415 -5.664 -7.382 1.00 0.00 O ATOM 0 H GLU A 23 93.816 -5.825 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 23 93.307 -5.736 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.342 -4.310 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.983 -3.807 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.695 -6.055 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.109 -6.502 -7.933 1.00 0.00 H new ATOM 369 N ILE A 24 91.625 -3.894 -7.346 1.00 0.00 N ATOM 370 CA ILE A 24 90.713 -2.767 -7.477 1.00 0.00 C ATOM 371 C ILE A 24 91.195 -1.613 -6.613 1.00 0.00 C ATOM 372 O ILE A 24 91.032 -1.628 -5.398 1.00 0.00 O ATOM 373 CB ILE A 24 89.262 -3.125 -7.082 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.740 -4.289 -7.930 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.357 -1.909 -7.243 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.322 -4.704 -7.592 1.00 0.00 C ATOM 0 H ILE A 24 91.405 -4.533 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 24 90.707 -2.483 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 24 89.257 -3.433 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 24 88.786 -4.009 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.400 -5.146 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.338 -2.174 -6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.713 -1.103 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.372 -1.579 -8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.023 -5.533 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.273 -5.017 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.649 -3.861 -7.750 1.00 0.00 H new ATOM 388 N HIS A 25 91.821 -0.634 -7.240 1.00 0.00 N ATOM 389 CA HIS A 25 92.315 0.535 -6.525 1.00 0.00 C ATOM 390 C HIS A 25 91.213 1.585 -6.431 1.00 0.00 C ATOM 391 O HIS A 25 90.681 2.024 -7.454 1.00 0.00 O ATOM 392 CB HIS A 25 93.549 1.112 -7.227 1.00 0.00 C ATOM 393 CG HIS A 25 94.765 0.229 -7.153 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.019 0.708 -6.849 1.00 0.00 N ATOM 395 CD2 HIS A 25 94.916 -1.104 -7.356 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.886 -0.288 -6.865 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.245 -1.399 -7.168 1.00 0.00 N ATOM 0 H HIS A 25 92.001 -0.622 -8.244 1.00 0.00 H new ATOM 0 HA HIS A 25 92.606 0.237 -5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.307 1.292 -8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.787 2.079 -6.784 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.136 -1.804 -7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.944 -0.206 -6.663 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.666 -2.325 -7.249 1.00 0.00 H new ATOM 406 N LEU A 26 90.868 1.969 -5.206 1.00 0.00 N ATOM 407 CA LEU A 26 89.763 2.896 -4.970 1.00 0.00 C ATOM 408 C LEU A 26 90.168 4.044 -4.050 1.00 0.00 C ATOM 409 O LEU A 26 91.332 4.178 -3.670 1.00 0.00 O ATOM 410 CB LEU A 26 88.573 2.157 -4.352 1.00 0.00 C ATOM 411 CG LEU A 26 87.801 1.244 -5.303 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.693 0.512 -4.559 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.225 2.055 -6.451 1.00 0.00 C ATOM 0 H LEU A 26 91.338 1.652 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 26 89.483 3.313 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.934 1.559 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.882 2.894 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 26 88.488 0.501 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.154 -0.134 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.127 -0.093 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.003 1.238 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.677 1.395 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.550 2.814 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.035 2.538 -6.998 1.00 0.00 H new ATOM 425 N LYS A 27 89.185 4.870 -3.703 1.00 0.00 N ATOM 426 CA LYS A 27 89.387 5.981 -2.785 1.00 0.00 C ATOM 427 C LYS A 27 89.084 5.541 -1.354 1.00 0.00 C ATOM 428 O LYS A 27 88.182 4.735 -1.132 1.00 0.00 O ATOM 429 CB LYS A 27 88.488 7.160 -3.170 1.00 0.00 C ATOM 430 CG LYS A 27 88.801 7.755 -4.533 1.00 0.00 C ATOM 431 CD LYS A 27 87.819 8.858 -4.891 1.00 0.00 C ATOM 432 CE LYS A 27 88.163 9.510 -6.221 1.00 0.00 C ATOM 433 NZ LYS A 27 88.201 8.527 -7.336 1.00 0.00 N ATOM 0 H LYS A 27 88.230 4.787 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 27 90.428 6.298 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.449 6.831 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.584 7.939 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.816 8.154 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.765 6.973 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.811 8.446 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.818 9.613 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.428 10.283 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.131 10.004 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.066 9.022 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.121 8.043 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.443 7.827 -7.208 1.00 0.00 H new ATOM 447 N PRO A 28 89.835 6.070 -0.371 1.00 0.00 N ATOM 448 CA PRO A 28 89.714 5.679 1.044 1.00 0.00 C ATOM 449 C PRO A 28 88.280 5.703 1.573 1.00 0.00 C ATOM 450 O PRO A 28 87.841 4.755 2.224 1.00 0.00 O ATOM 451 CB PRO A 28 90.566 6.720 1.767 1.00 0.00 C ATOM 452 CG PRO A 28 91.585 7.124 0.764 1.00 0.00 C ATOM 453 CD PRO A 28 90.887 7.087 -0.566 1.00 0.00 C ATOM 0 HA PRO A 28 90.033 4.648 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.966 7.571 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.031 6.302 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.969 8.122 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.438 6.445 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.465 8.058 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.569 6.811 -1.370 1.00 0.00 H new ATOM 461 N GLU A 29 87.552 6.778 1.290 1.00 0.00 N ATOM 462 CA GLU A 29 86.185 6.916 1.787 1.00 0.00 C ATOM 463 C GLU A 29 85.264 5.887 1.136 1.00 0.00 C ATOM 464 O GLU A 29 84.370 5.342 1.784 1.00 0.00 O ATOM 465 CB GLU A 29 85.659 8.334 1.546 1.00 0.00 C ATOM 466 CG GLU A 29 84.283 8.574 2.144 1.00 0.00 C ATOM 467 CD GLU A 29 83.863 10.027 2.094 1.00 0.00 C ATOM 468 OE1 GLU A 29 83.409 10.486 1.027 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.962 10.714 3.132 1.00 0.00 O ATOM 0 H GLU A 29 87.880 7.561 0.724 1.00 0.00 H new ATOM 0 HA GLU A 29 86.198 6.733 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.362 9.052 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.619 8.522 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.550 7.971 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.279 8.236 3.180 1.00 0.00 H new ATOM 476 N VAL A 30 85.504 5.607 -0.138 1.00 0.00 N ATOM 477 CA VAL A 30 84.710 4.628 -0.867 1.00 0.00 C ATOM 478 C VAL A 30 84.981 3.228 -0.328 1.00 0.00 C ATOM 479 O VAL A 30 84.061 2.432 -0.147 1.00 0.00 O ATOM 480 CB VAL A 30 85.016 4.672 -2.378 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.136 3.695 -3.143 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.843 6.085 -2.913 1.00 0.00 C ATOM 0 H VAL A 30 86.243 6.045 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 30 83.658 4.876 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 30 86.053 4.371 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.373 3.747 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.315 2.683 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.088 3.954 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.063 6.099 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.816 6.413 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.526 6.757 -2.393 1.00 0.00 H new ATOM 492 N PHE A 31 86.252 2.953 -0.056 1.00 0.00 N ATOM 493 CA PHE A 31 86.674 1.681 0.521 1.00 0.00 C ATOM 494 C PHE A 31 85.931 1.418 1.829 1.00 0.00 C ATOM 495 O PHE A 31 85.478 0.305 2.085 1.00 0.00 O ATOM 496 CB PHE A 31 88.188 1.708 0.763 1.00 0.00 C ATOM 497 CG PHE A 31 88.762 0.429 1.310 1.00 0.00 C ATOM 498 CD1 PHE A 31 89.093 -0.615 0.463 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.980 0.276 2.670 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.631 -1.786 0.961 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.518 -0.892 3.174 1.00 0.00 C ATOM 502 CZ PHE A 31 89.843 -1.925 2.318 1.00 0.00 C ATOM 0 H PHE A 31 87.018 3.604 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 31 86.436 0.876 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.688 1.942 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.417 2.518 1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.929 -0.513 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.726 1.080 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.886 -2.592 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.684 -0.997 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 31 90.262 -2.840 2.709 1.00 0.00 H new ATOM 512 N TYR A 32 85.797 2.465 2.635 1.00 0.00 N ATOM 513 CA TYR A 32 85.098 2.384 3.915 1.00 0.00 C ATOM 514 C TYR A 32 83.634 1.976 3.726 1.00 0.00 C ATOM 515 O TYR A 32 83.120 1.112 4.441 1.00 0.00 O ATOM 516 CB TYR A 32 85.190 3.736 4.630 1.00 0.00 C ATOM 517 CG TYR A 32 84.424 3.811 5.931 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.858 3.127 7.059 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.271 4.579 6.033 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.165 3.208 8.251 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.573 4.663 7.221 1.00 0.00 C ATOM 522 CZ TYR A 32 83.024 3.975 8.325 1.00 0.00 C ATOM 523 OH TYR A 32 82.335 4.059 9.513 1.00 0.00 O ATOM 0 H TYR A 32 86.168 3.391 2.422 1.00 0.00 H new ATOM 0 HA TYR A 32 85.575 1.616 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.239 3.958 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.821 4.513 3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.751 2.522 7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.915 5.119 5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.516 2.672 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.678 5.265 7.284 1.00 0.00 H new ATOM 0 HH TYR A 32 81.554 4.640 9.398 1.00 0.00 H new ATOM 533 N GLU A 33 82.976 2.593 2.754 1.00 0.00 N ATOM 534 CA GLU A 33 81.573 2.306 2.471 1.00 0.00 C ATOM 535 C GLU A 33 81.402 0.901 1.899 1.00 0.00 C ATOM 536 O GLU A 33 80.483 0.173 2.281 1.00 0.00 O ATOM 537 CB GLU A 33 81.004 3.348 1.508 1.00 0.00 C ATOM 538 CG GLU A 33 80.860 4.728 2.129 1.00 0.00 C ATOM 539 CD GLU A 33 79.782 4.775 3.194 1.00 0.00 C ATOM 540 OE1 GLU A 33 80.047 4.364 4.342 1.00 0.00 O ATOM 541 OE2 GLU A 33 78.657 5.219 2.882 1.00 0.00 O ATOM 0 H GLU A 33 83.392 3.298 2.145 1.00 0.00 H new ATOM 0 HA GLU A 33 81.021 2.355 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.652 3.417 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 33 80.029 3.012 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.812 5.027 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.627 5.452 1.348 1.00 0.00 H new ATOM 548 N VAL A 34 82.292 0.517 0.991 1.00 0.00 N ATOM 549 CA VAL A 34 82.258 -0.820 0.408 1.00 0.00 C ATOM 550 C VAL A 34 82.537 -1.869 1.481 1.00 0.00 C ATOM 551 O VAL A 34 81.935 -2.945 1.484 1.00 0.00 O ATOM 552 CB VAL A 34 83.275 -0.969 -0.747 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.257 -2.382 -1.310 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.982 0.037 -1.850 1.00 0.00 C ATOM 0 H VAL A 34 83.045 1.111 0.643 1.00 0.00 H new ATOM 0 HA VAL A 34 81.260 -0.973 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 34 84.269 -0.772 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.981 -2.460 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.516 -3.091 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.261 -2.610 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.708 -0.083 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.978 -0.132 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.050 1.048 -1.448 1.00 0.00 H new ATOM 564 N TRP A 35 83.435 -1.530 2.399 1.00 0.00 N ATOM 565 CA TRP A 35 83.765 -2.389 3.530 1.00 0.00 C ATOM 566 C TRP A 35 82.500 -2.795 4.282 1.00 0.00 C ATOM 567 O TRP A 35 82.261 -3.978 4.515 1.00 0.00 O ATOM 568 CB TRP A 35 84.741 -1.657 4.460 1.00 0.00 C ATOM 569 CG TRP A 35 85.125 -2.424 5.690 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.578 -3.711 5.752 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.114 -1.937 7.038 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.831 -4.060 7.058 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.558 -2.986 7.865 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.765 -0.718 7.626 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.667 -2.850 9.248 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.875 -0.584 8.998 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.321 -1.645 9.796 1.00 0.00 C ATOM 0 H TRP A 35 83.954 -0.652 2.380 1.00 0.00 H new ATOM 0 HA TRP A 35 84.241 -3.298 3.163 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.645 -1.417 3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.293 -0.711 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.717 -4.360 4.900 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.167 -4.970 7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.416 0.105 7.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.012 -3.667 9.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.612 0.355 9.462 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.393 -1.509 10.865 1.00 0.00 H new ATOM 588 N LYS A 36 81.678 -1.815 4.631 1.00 0.00 N ATOM 589 CA LYS A 36 80.428 -2.087 5.329 1.00 0.00 C ATOM 590 C LYS A 36 79.413 -2.763 4.408 1.00 0.00 C ATOM 591 O LYS A 36 78.637 -3.612 4.849 1.00 0.00 O ATOM 592 CB LYS A 36 79.838 -0.800 5.908 1.00 0.00 C ATOM 593 CG LYS A 36 80.604 -0.263 7.107 1.00 0.00 C ATOM 594 CD LYS A 36 79.994 1.032 7.620 1.00 0.00 C ATOM 595 CE LYS A 36 80.662 1.502 8.901 1.00 0.00 C ATOM 596 NZ LYS A 36 80.381 0.599 10.047 1.00 0.00 N ATOM 0 H LYS A 36 81.853 -0.828 4.443 1.00 0.00 H new ATOM 0 HA LYS A 36 80.652 -2.770 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.818 -0.037 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.804 -0.984 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.605 -1.007 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.644 -0.092 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.087 1.805 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.929 0.886 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.739 1.563 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.317 2.508 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.711 1.043 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.358 0.425 10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.878 -0.304 9.907 1.00 0.00 H new ATOM 610 N TYR A 37 79.425 -2.392 3.132 1.00 0.00 N ATOM 611 CA TYR A 37 78.516 -2.979 2.148 1.00 0.00 C ATOM 612 C TYR A 37 78.686 -4.495 2.071 1.00 0.00 C ATOM 613 O TYR A 37 77.705 -5.237 2.042 1.00 0.00 O ATOM 614 CB TYR A 37 78.742 -2.357 0.762 1.00 0.00 C ATOM 615 CG TYR A 37 78.019 -3.083 -0.360 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.649 -2.934 -0.547 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.707 -3.933 -1.221 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.989 -3.610 -1.558 1.00 0.00 C ATOM 619 CE2 TYR A 37 78.055 -4.605 -2.235 1.00 0.00 C ATOM 620 CZ TYR A 37 76.698 -4.445 -2.398 1.00 0.00 C ATOM 621 OH TYR A 37 76.047 -5.132 -3.398 1.00 0.00 O ATOM 0 H TYR A 37 80.055 -1.686 2.752 1.00 0.00 H new ATOM 0 HA TYR A 37 77.498 -2.764 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.412 -1.318 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.811 -2.348 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.091 -2.280 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.771 -4.069 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.924 -3.485 -1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.608 -5.254 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 37 76.694 -5.673 -3.897 1.00 0.00 H new ATOM 631 N VAL A 38 79.930 -4.952 2.064 1.00 0.00 N ATOM 632 CA VAL A 38 80.219 -6.372 1.895 1.00 0.00 C ATOM 633 C VAL A 38 80.090 -7.145 3.212 1.00 0.00 C ATOM 634 O VAL A 38 80.535 -8.289 3.320 1.00 0.00 O ATOM 635 CB VAL A 38 81.623 -6.589 1.286 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.733 -5.890 -0.061 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.714 -6.102 2.225 1.00 0.00 C ATOM 0 H VAL A 38 80.755 -4.363 2.173 1.00 0.00 H new ATOM 0 HA VAL A 38 79.473 -6.763 1.203 1.00 0.00 H new ATOM 0 HB VAL A 38 81.760 -7.660 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.728 -6.053 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.985 -6.294 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.565 -4.821 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.689 -6.269 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.581 -5.037 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.656 -6.650 3.165 1.00 0.00 H new ATOM 647 N GLY A 39 79.469 -6.523 4.209 1.00 0.00 N ATOM 648 CA GLY A 39 79.208 -7.207 5.462 1.00 0.00 C ATOM 649 C GLY A 39 80.181 -6.819 6.554 1.00 0.00 C ATOM 650 O GLY A 39 80.114 -7.345 7.668 1.00 0.00 O ATOM 0 H GLY A 39 79.142 -5.558 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.193 -6.982 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.260 -8.284 5.301 1.00 0.00 H new ATOM 654 N GLU A 40 81.083 -5.901 6.225 1.00 0.00 N ATOM 655 CA GLU A 40 82.083 -5.406 7.166 1.00 0.00 C ATOM 656 C GLU A 40 82.930 -6.558 7.719 1.00 0.00 C ATOM 657 O GLU A 40 82.798 -6.947 8.883 1.00 0.00 O ATOM 658 CB GLU A 40 81.402 -4.628 8.298 1.00 0.00 C ATOM 659 CG GLU A 40 82.353 -3.789 9.130 1.00 0.00 C ATOM 660 CD GLU A 40 81.649 -3.049 10.244 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.161 -1.925 10.007 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.573 -3.590 11.363 1.00 0.00 O ATOM 0 H GLU A 40 81.142 -5.478 5.299 1.00 0.00 H new ATOM 0 HA GLU A 40 82.754 -4.728 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 80.639 -3.977 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.889 -5.333 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 40 83.123 -4.433 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 40 82.859 -3.071 8.484 1.00 0.00 H new ATOM 669 N PRO A 41 83.790 -7.145 6.871 1.00 0.00 N ATOM 670 CA PRO A 41 84.643 -8.261 7.254 1.00 0.00 C ATOM 671 C PRO A 41 85.973 -7.796 7.840 1.00 0.00 C ATOM 672 O PRO A 41 86.121 -6.636 8.239 1.00 0.00 O ATOM 673 CB PRO A 41 84.860 -8.974 5.923 1.00 0.00 C ATOM 674 CG PRO A 41 84.859 -7.880 4.908 1.00 0.00 C ATOM 675 CD PRO A 41 83.997 -6.770 5.462 1.00 0.00 C ATOM 0 HA PRO A 41 84.201 -8.885 8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.802 -9.522 5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.069 -9.698 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.873 -7.525 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.465 -8.236 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.490 -5.802 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.051 -6.695 4.926 1.00 0.00 H new ATOM 683 N GLU A 42 86.941 -8.697 7.888 1.00 0.00 N ATOM 684 CA GLU A 42 88.246 -8.363 8.426 1.00 0.00 C ATOM 685 C GLU A 42 89.140 -7.800 7.329 1.00 0.00 C ATOM 686 O GLU A 42 89.062 -8.220 6.170 1.00 0.00 O ATOM 687 CB GLU A 42 88.895 -9.586 9.076 1.00 0.00 C ATOM 688 CG GLU A 42 90.086 -9.232 9.949 1.00 0.00 C ATOM 689 CD GLU A 42 89.737 -8.178 10.980 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.296 -8.547 12.089 1.00 0.00 O ATOM 691 OE2 GLU A 42 89.887 -6.974 10.677 1.00 0.00 O ATOM 0 H GLU A 42 86.847 -9.659 7.563 1.00 0.00 H new ATOM 0 HA GLU A 42 88.117 -7.601 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.152 -10.107 9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.215 -10.278 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 90.445 -10.129 10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 42 90.901 -8.871 9.322 1.00 0.00 H new ATOM 698 N LEU A 43 89.985 -6.851 7.702 1.00 0.00 N ATOM 699 CA LEU A 43 90.828 -6.151 6.743 1.00 0.00 C ATOM 700 C LEU A 43 92.199 -6.803 6.622 1.00 0.00 C ATOM 701 O LEU A 43 92.651 -7.512 7.526 1.00 0.00 O ATOM 702 CB LEU A 43 90.989 -4.685 7.152 1.00 0.00 C ATOM 703 CG LEU A 43 89.702 -3.859 7.131 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.957 -2.465 7.679 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.147 -3.781 5.717 1.00 0.00 C ATOM 0 H LEU A 43 90.106 -6.546 8.668 1.00 0.00 H new ATOM 0 HA LEU A 43 90.338 -6.207 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.409 -4.649 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.714 -4.216 6.487 1.00 0.00 H new ATOM 0 HG LEU A 43 88.965 -4.350 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 89.031 -1.890 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 90.315 -2.538 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.709 -1.966 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.231 -3.190 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.882 -3.311 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.930 -4.786 5.355 1.00 0.00 H new ATOM 717 N LYS A 44 92.847 -6.562 5.491 1.00 0.00 N ATOM 718 CA LYS A 44 94.195 -7.046 5.248 1.00 0.00 C ATOM 719 C LYS A 44 95.088 -5.872 4.874 1.00 0.00 C ATOM 720 O LYS A 44 94.624 -4.904 4.273 1.00 0.00 O ATOM 721 CB LYS A 44 94.194 -8.095 4.133 1.00 0.00 C ATOM 722 CG LYS A 44 93.291 -9.280 4.428 1.00 0.00 C ATOM 723 CD LYS A 44 93.350 -10.330 3.334 1.00 0.00 C ATOM 724 CE LYS A 44 92.522 -11.553 3.699 1.00 0.00 C ATOM 725 NZ LYS A 44 92.958 -12.146 4.993 1.00 0.00 N ATOM 0 H LYS A 44 92.452 -6.026 4.718 1.00 0.00 H new ATOM 0 HA LYS A 44 94.578 -7.517 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.875 -7.626 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.212 -8.452 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.582 -9.730 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.264 -8.933 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 44 92.984 -9.906 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.386 -10.626 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 44 91.470 -11.275 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 92.607 -12.299 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.958 -13.183 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 93.918 -11.816 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.304 -11.854 5.747 1.00 0.00 H new ATOM 739 N THR A 45 96.357 -5.947 5.232 1.00 0.00 N ATOM 740 CA THR A 45 97.271 -4.839 5.003 1.00 0.00 C ATOM 741 C THR A 45 98.648 -5.329 4.572 1.00 0.00 C ATOM 742 O THR A 45 99.052 -6.447 4.901 1.00 0.00 O ATOM 743 CB THR A 45 97.414 -3.972 6.270 1.00 0.00 C ATOM 744 OG1 THR A 45 97.578 -4.811 7.422 1.00 0.00 O ATOM 745 CG2 THR A 45 96.206 -3.065 6.465 1.00 0.00 C ATOM 0 H THR A 45 96.779 -6.760 5.681 1.00 0.00 H new ATOM 0 HA THR A 45 96.846 -4.238 4.199 1.00 0.00 H new ATOM 0 HB THR A 45 98.295 -3.342 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.353 -4.304 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.341 -2.468 7.367 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.105 -2.404 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.307 -3.673 6.563 1.00 0.00 H new ATOM 753 N TYR A 46 99.362 -4.492 3.830 1.00 0.00 N ATOM 754 CA TYR A 46 100.724 -4.803 3.424 1.00 0.00 C ATOM 755 C TYR A 46 101.557 -3.529 3.391 1.00 0.00 C ATOM 756 O TYR A 46 101.032 -2.443 3.132 1.00 0.00 O ATOM 757 CB TYR A 46 100.747 -5.495 2.051 1.00 0.00 C ATOM 758 CG TYR A 46 100.504 -4.572 0.872 1.00 0.00 C ATOM 759 CD1 TYR A 46 99.231 -4.099 0.578 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.554 -4.180 0.049 1.00 0.00 C ATOM 761 CE1 TYR A 46 99.012 -3.262 -0.499 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.343 -3.345 -1.029 1.00 0.00 C ATOM 763 CZ TYR A 46 100.072 -2.889 -1.299 1.00 0.00 C ATOM 764 OH TYR A 46 99.860 -2.058 -2.375 1.00 0.00 O ATOM 0 H TYR A 46 99.018 -3.591 3.497 1.00 0.00 H new ATOM 0 HA TYR A 46 101.153 -5.491 4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.714 -5.982 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.991 -6.280 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.399 -4.391 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.552 -4.535 0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 46 98.017 -2.902 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 46 102.170 -3.051 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 46 100.710 -1.892 -2.833 1.00 0.00 H new ATOM 774 N VAL A 47 102.842 -3.656 3.671 1.00 0.00 N ATOM 775 CA VAL A 47 103.737 -2.510 3.659 1.00 0.00 C ATOM 776 C VAL A 47 104.561 -2.500 2.376 1.00 0.00 C ATOM 777 O VAL A 47 105.268 -3.462 2.077 1.00 0.00 O ATOM 778 CB VAL A 47 104.681 -2.518 4.881 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.549 -1.272 4.903 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.887 -2.636 6.174 1.00 0.00 C ATOM 0 H VAL A 47 103.290 -4.541 3.910 1.00 0.00 H new ATOM 0 HA VAL A 47 103.124 -1.610 3.707 1.00 0.00 H new ATOM 0 HB VAL A 47 105.333 -3.387 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.205 -1.301 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.151 -1.232 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.914 -0.387 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.572 -2.640 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.206 -1.790 6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.314 -3.563 6.166 1.00 0.00 H new ATOM 790 N ILE A 48 104.458 -1.416 1.623 1.00 0.00 N ATOM 791 CA ILE A 48 105.159 -1.297 0.353 1.00 0.00 C ATOM 792 C ILE A 48 106.290 -0.271 0.462 1.00 0.00 C ATOM 793 O ILE A 48 106.215 0.671 1.256 1.00 0.00 O ATOM 794 CB ILE A 48 104.180 -0.920 -0.788 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.897 -0.896 -2.142 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.517 0.419 -0.506 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.969 -0.691 -3.321 1.00 0.00 C ATOM 0 H ILE A 48 103.894 -0.603 1.870 1.00 0.00 H new ATOM 0 HA ILE A 48 105.595 -2.266 0.111 1.00 0.00 H new ATOM 0 HB ILE A 48 103.404 -1.684 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.641 -0.100 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.436 -1.834 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.834 0.665 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.961 0.360 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.280 1.193 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 104.549 -0.685 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.240 -1.501 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.449 0.261 -3.214 1.00 0.00 H new ATOM 809 N GLU A 49 107.342 -0.472 -0.321 1.00 0.00 N ATOM 810 CA GLU A 49 108.533 0.364 -0.249 1.00 0.00 C ATOM 811 C GLU A 49 108.408 1.590 -1.153 1.00 0.00 C ATOM 812 O GLU A 49 108.672 1.512 -2.358 1.00 0.00 O ATOM 813 CB GLU A 49 109.758 -0.456 -0.662 1.00 0.00 C ATOM 814 CG GLU A 49 111.092 0.198 -0.333 1.00 0.00 C ATOM 815 CD GLU A 49 111.489 0.014 1.116 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.911 -1.105 1.476 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.398 0.979 1.900 1.00 0.00 O ATOM 0 H GLU A 49 107.394 -1.214 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 49 108.645 0.711 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.712 -1.428 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.712 -0.640 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.867 -0.223 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 49 111.036 1.263 -0.558 1.00 0.00 H new ATOM 1177 N LYS A 72 108.355 3.426 4.028 1.00 0.00 N ATOM 1178 CA LYS A 72 107.533 2.253 3.798 1.00 0.00 C ATOM 1179 C LYS A 72 106.085 2.553 4.157 1.00 0.00 C ATOM 1180 O LYS A 72 105.760 2.780 5.324 1.00 0.00 O ATOM 1181 CB LYS A 72 108.061 1.083 4.628 1.00 0.00 C ATOM 1182 CG LYS A 72 109.562 0.891 4.496 1.00 0.00 C ATOM 1183 CD LYS A 72 110.063 -0.261 5.347 1.00 0.00 C ATOM 1184 CE LYS A 72 111.581 -0.262 5.429 1.00 0.00 C ATOM 1185 NZ LYS A 72 112.222 -0.429 4.098 1.00 0.00 N ATOM 0 HA LYS A 72 107.577 1.983 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.812 1.247 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.555 0.168 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.814 0.707 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 72 110.072 1.808 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.642 -0.186 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.718 -1.205 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.918 0.673 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.906 -1.067 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 113.254 -0.491 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.871 -1.300 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.990 0.387 3.496 1.00 0.00 H new ATOM 1199 N ILE A 73 105.224 2.572 3.154 1.00 0.00 N ATOM 1200 CA ILE A 73 103.828 2.914 3.362 1.00 0.00 C ATOM 1201 C ILE A 73 102.972 1.658 3.461 1.00 0.00 C ATOM 1202 O ILE A 73 102.998 0.797 2.582 1.00 0.00 O ATOM 1203 CB ILE A 73 103.284 3.819 2.234 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.088 5.122 2.165 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.806 4.114 2.458 1.00 0.00 C ATOM 1206 CD1 ILE A 73 103.617 6.073 1.084 1.00 0.00 C ATOM 0 H ILE A 73 105.467 2.355 2.188 1.00 0.00 H new ATOM 0 HA ILE A 73 103.773 3.465 4.301 1.00 0.00 H new ATOM 0 HB ILE A 73 103.391 3.296 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.030 5.626 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.137 4.882 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.437 4.753 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.245 3.179 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.677 4.622 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.233 6.972 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 73 103.701 5.589 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 73 102.577 6.344 1.265 1.00 0.00 H new ATOM 1218 N LYS A 74 102.225 1.560 4.544 1.00 0.00 N ATOM 1219 CA LYS A 74 101.323 0.443 4.756 1.00 0.00 C ATOM 1220 C LYS A 74 99.971 0.745 4.117 1.00 0.00 C ATOM 1221 O LYS A 74 99.351 1.761 4.420 1.00 0.00 O ATOM 1222 CB LYS A 74 101.173 0.189 6.259 1.00 0.00 C ATOM 1223 CG LYS A 74 100.293 -0.997 6.616 1.00 0.00 C ATOM 1224 CD LYS A 74 100.358 -1.291 8.107 1.00 0.00 C ATOM 1225 CE LYS A 74 99.406 -2.405 8.506 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.527 -2.750 9.946 1.00 0.00 N ATOM 0 H LYS A 74 102.225 2.247 5.298 1.00 0.00 H new ATOM 0 HA LYS A 74 101.729 -0.455 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.163 0.032 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.761 1.084 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.263 -0.791 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.613 -1.874 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.376 -1.569 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.115 -0.388 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.382 -2.101 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.610 -3.290 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.860 -3.514 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.498 -3.065 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.308 -1.913 10.523 1.00 0.00 H new ATOM 1240 N LYS A 75 99.537 -0.123 3.214 1.00 0.00 N ATOM 1241 CA LYS A 75 98.261 0.051 2.531 1.00 0.00 C ATOM 1242 C LYS A 75 97.281 -1.045 2.945 1.00 0.00 C ATOM 1243 O LYS A 75 97.690 -2.087 3.464 1.00 0.00 O ATOM 1244 CB LYS A 75 98.460 0.051 1.010 1.00 0.00 C ATOM 1245 CG LYS A 75 99.154 1.302 0.480 1.00 0.00 C ATOM 1246 CD LYS A 75 99.311 1.254 -1.034 1.00 0.00 C ATOM 1247 CE LYS A 75 99.733 2.603 -1.604 1.00 0.00 C ATOM 1248 NZ LYS A 75 101.077 3.035 -1.132 1.00 0.00 N ATOM 0 H LYS A 75 100.052 -0.959 2.936 1.00 0.00 H new ATOM 0 HA LYS A 75 97.842 1.015 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 75 99.046 -0.824 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.488 -0.047 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.579 2.185 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.135 1.400 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 75 100.052 0.500 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.368 0.947 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.736 2.547 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 75 98.996 3.356 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.990 3.930 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 101.476 2.306 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 101.705 3.171 -1.950 1.00 0.00 H new ATOM 1262 N VAL A 76 95.993 -0.809 2.712 1.00 0.00 N ATOM 1263 CA VAL A 76 94.951 -1.730 3.149 1.00 0.00 C ATOM 1264 C VAL A 76 94.177 -2.287 1.954 1.00 0.00 C ATOM 1265 O VAL A 76 93.990 -1.599 0.949 1.00 0.00 O ATOM 1266 CB VAL A 76 93.974 -1.035 4.133 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.245 0.122 3.463 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.983 -2.029 4.721 1.00 0.00 C ATOM 0 H VAL A 76 95.646 0.015 2.221 1.00 0.00 H new ATOM 0 HA VAL A 76 95.438 -2.557 3.666 1.00 0.00 H new ATOM 0 HB VAL A 76 94.569 -0.629 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.568 0.589 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.971 0.858 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.674 -0.251 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.312 -1.511 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.402 -2.482 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.524 -2.806 5.261 1.00 0.00 H new ATOM 1278 N TYR A 77 93.755 -3.539 2.055 1.00 0.00 N ATOM 1279 CA TYR A 77 92.978 -4.171 1.003 1.00 0.00 C ATOM 1280 C TYR A 77 92.122 -5.301 1.563 1.00 0.00 C ATOM 1281 O TYR A 77 92.391 -5.815 2.650 1.00 0.00 O ATOM 1282 CB TYR A 77 93.901 -4.706 -0.104 1.00 0.00 C ATOM 1283 CG TYR A 77 94.835 -5.818 0.332 1.00 0.00 C ATOM 1284 CD1 TYR A 77 96.017 -5.539 1.007 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.535 -7.148 0.057 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.873 -6.553 1.395 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.385 -8.165 0.445 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.552 -7.862 1.113 1.00 0.00 C ATOM 1289 OH TYR A 77 97.403 -8.873 1.497 1.00 0.00 O ATOM 0 H TYR A 77 93.940 -4.138 2.859 1.00 0.00 H new ATOM 0 HA TYR A 77 92.317 -3.417 0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.286 -5.069 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.497 -3.880 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.271 -4.514 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.623 -7.389 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.789 -6.319 1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 77 95.136 -9.193 0.226 1.00 0.00 H new ATOM 0 HH TYR A 77 97.029 -9.737 1.224 1.00 0.00 H new ATOM 1299 N PHE A 78 91.084 -5.675 0.832 1.00 0.00 N ATOM 1300 CA PHE A 78 90.316 -6.864 1.162 1.00 0.00 C ATOM 1301 C PHE A 78 90.095 -7.680 -0.102 1.00 0.00 C ATOM 1302 O PHE A 78 90.082 -7.132 -1.207 1.00 0.00 O ATOM 1303 CB PHE A 78 88.979 -6.520 1.845 1.00 0.00 C ATOM 1304 CG PHE A 78 87.928 -5.928 0.944 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.868 -4.564 0.727 1.00 0.00 C ATOM 1306 CD2 PHE A 78 86.987 -6.742 0.329 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.895 -4.019 -0.089 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.011 -6.204 -0.486 1.00 0.00 C ATOM 1309 CZ PHE A 78 85.965 -4.840 -0.696 1.00 0.00 C ATOM 0 H PHE A 78 90.755 -5.173 0.007 1.00 0.00 H new ATOM 0 HA PHE A 78 90.883 -7.455 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.577 -7.427 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.175 -5.819 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.591 -3.916 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.019 -7.809 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.862 -2.952 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.285 -6.849 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.203 -4.416 -1.334 1.00 0.00 H new ATOM 1319 N GLU A 79 89.943 -8.983 0.055 1.00 0.00 N ATOM 1320 CA GLU A 79 89.856 -9.873 -1.088 1.00 0.00 C ATOM 1321 C GLU A 79 88.420 -10.330 -1.314 1.00 0.00 C ATOM 1322 O GLU A 79 87.689 -10.620 -0.364 1.00 0.00 O ATOM 1323 CB GLU A 79 90.790 -11.064 -0.883 1.00 0.00 C ATOM 1324 CG GLU A 79 92.198 -10.642 -0.488 1.00 0.00 C ATOM 1325 CD GLU A 79 93.186 -11.784 -0.515 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.727 -12.081 -1.598 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.432 -12.389 0.545 1.00 0.00 O ATOM 0 H GLU A 79 89.877 -9.447 0.961 1.00 0.00 H new ATOM 0 HA GLU A 79 90.169 -9.334 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.379 -11.714 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.834 -11.649 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.539 -9.858 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.175 -10.212 0.513 1.00 0.00 H new ATOM 1334 N THR A 80 88.023 -10.372 -2.576 1.00 0.00 N ATOM 1335 CA THR A 80 86.657 -10.691 -2.947 1.00 0.00 C ATOM 1336 C THR A 80 86.501 -12.161 -3.332 1.00 0.00 C ATOM 1337 O THR A 80 87.409 -12.970 -3.142 1.00 0.00 O ATOM 1338 CB THR A 80 86.205 -9.819 -4.132 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.075 -10.038 -5.249 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.211 -8.344 -3.760 1.00 0.00 C ATOM 0 H THR A 80 88.638 -10.186 -3.368 1.00 0.00 H new ATOM 0 HA THR A 80 86.036 -10.491 -2.074 1.00 0.00 H new ATOM 0 HB THR A 80 85.186 -10.101 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.543 -10.106 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.887 -7.752 -4.616 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.531 -8.177 -2.925 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.219 -8.045 -3.472 1.00 0.00 H new ATOM 1348 N LEU A 81 85.340 -12.482 -3.894 1.00 0.00 N ATOM 1349 CA LEU A 81 85.014 -13.841 -4.312 1.00 0.00 C ATOM 1350 C LEU A 81 85.845 -14.256 -5.520 1.00 0.00 C ATOM 1351 O LEU A 81 86.143 -15.436 -5.710 1.00 0.00 O ATOM 1352 CB LEU A 81 83.522 -13.943 -4.671 1.00 0.00 C ATOM 1353 CG LEU A 81 82.534 -13.942 -3.495 1.00 0.00 C ATOM 1354 CD1 LEU A 81 82.830 -15.092 -2.556 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.562 -12.618 -2.743 1.00 0.00 C ATOM 0 H LEU A 81 84.597 -11.806 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 81 85.240 -14.508 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.271 -13.110 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.370 -14.858 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 81 81.531 -14.070 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 81 82.121 -15.077 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 81 82.739 -16.035 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.844 -14.993 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.851 -12.653 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 81 83.564 -12.443 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.291 -11.809 -3.421 1.00 0.00 H new ATOM 1367 N ASP A 82 86.232 -13.274 -6.320 1.00 0.00 N ATOM 1368 CA ASP A 82 86.889 -13.532 -7.598 1.00 0.00 C ATOM 1369 C ASP A 82 88.404 -13.463 -7.459 1.00 0.00 C ATOM 1370 O ASP A 82 89.116 -13.298 -8.451 1.00 0.00 O ATOM 1371 CB ASP A 82 86.421 -12.515 -8.643 1.00 0.00 C ATOM 1372 CG ASP A 82 84.911 -12.411 -8.730 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.297 -13.171 -9.507 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.331 -11.554 -8.025 1.00 0.00 O ATOM 0 H ASP A 82 86.103 -12.285 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 82 86.618 -14.537 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 82 86.834 -11.536 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 82 86.818 -12.795 -9.619 1.00 0.00 H new ATOM 1379 N ASN A 83 88.884 -13.594 -6.220 1.00 0.00 N ATOM 1380 CA ASN A 83 90.320 -13.533 -5.905 1.00 0.00 C ATOM 1381 C ASN A 83 90.870 -12.139 -6.185 1.00 0.00 C ATOM 1382 O ASN A 83 92.084 -11.939 -6.280 1.00 0.00 O ATOM 1383 CB ASN A 83 91.126 -14.575 -6.698 1.00 0.00 C ATOM 1384 CG ASN A 83 90.586 -15.984 -6.554 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.903 -16.693 -5.599 1.00 0.00 O ATOM 1386 ND2 ASN A 83 89.785 -16.406 -7.518 1.00 0.00 N ATOM 0 H ASN A 83 88.291 -13.746 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 83 90.426 -13.760 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.126 -14.299 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.163 -14.554 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 83 89.405 -17.352 -7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 83 89.547 -15.785 -8.292 1.00 0.00 H new ATOM 1393 N VAL A 84 89.967 -11.177 -6.301 1.00 0.00 N ATOM 1394 CA VAL A 84 90.337 -9.802 -6.582 1.00 0.00 C ATOM 1395 C VAL A 84 90.608 -9.056 -5.281 1.00 0.00 C ATOM 1396 O VAL A 84 89.886 -9.218 -4.299 1.00 0.00 O ATOM 1397 CB VAL A 84 89.228 -9.081 -7.384 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.585 -7.626 -7.629 1.00 0.00 C ATOM 1399 CG2 VAL A 84 88.982 -9.793 -8.703 1.00 0.00 C ATOM 0 H VAL A 84 88.963 -11.328 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 84 91.244 -9.811 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 84 88.313 -9.108 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.787 -7.146 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.710 -7.116 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.515 -7.570 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.199 -9.274 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.900 -9.797 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.670 -10.819 -8.510 1.00 0.00 H new ATOM 1409 N ARG A 85 91.658 -8.254 -5.276 1.00 0.00 N ATOM 1410 CA ARG A 85 92.054 -7.524 -4.087 1.00 0.00 C ATOM 1411 C ARG A 85 91.743 -6.044 -4.244 1.00 0.00 C ATOM 1412 O ARG A 85 92.320 -5.367 -5.092 1.00 0.00 O ATOM 1413 CB ARG A 85 93.547 -7.728 -3.817 1.00 0.00 C ATOM 1414 CG ARG A 85 93.915 -9.179 -3.557 1.00 0.00 C ATOM 1415 CD ARG A 85 95.401 -9.350 -3.290 1.00 0.00 C ATOM 1416 NE ARG A 85 95.697 -10.662 -2.717 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.900 -11.232 -2.721 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.914 -10.666 -3.367 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.079 -12.394 -2.110 1.00 0.00 N ATOM 0 H ARG A 85 92.254 -8.092 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 85 91.488 -7.907 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.117 -7.363 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.840 -7.126 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.348 -9.549 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.629 -9.785 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.955 -9.225 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.741 -8.570 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 85 94.929 -11.176 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.774 -9.787 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.832 -11.110 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.297 -12.848 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.999 -12.834 -2.111 1.00 0.00 H new ATOM 1433 N VAL A 86 90.816 -5.550 -3.440 1.00 0.00 N ATOM 1434 CA VAL A 86 90.474 -4.137 -3.457 1.00 0.00 C ATOM 1435 C VAL A 86 91.458 -3.366 -2.588 1.00 0.00 C ATOM 1436 O VAL A 86 91.371 -3.399 -1.363 1.00 0.00 O ATOM 1437 CB VAL A 86 89.034 -3.889 -2.959 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.682 -2.410 -3.037 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.042 -4.722 -3.759 1.00 0.00 C ATOM 0 H VAL A 86 90.287 -6.106 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 86 90.532 -3.790 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 86 88.976 -4.195 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.663 -2.259 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.372 -1.839 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.759 -2.072 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.032 -4.535 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.104 -4.449 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.279 -5.780 -3.644 1.00 0.00 H new ATOM 1449 N VAL A 87 92.401 -2.692 -3.233 1.00 0.00 N ATOM 1450 CA VAL A 87 93.480 -2.016 -2.529 1.00 0.00 C ATOM 1451 C VAL A 87 93.199 -0.523 -2.415 1.00 0.00 C ATOM 1452 O VAL A 87 92.751 0.112 -3.373 1.00 0.00 O ATOM 1453 CB VAL A 87 94.834 -2.221 -3.246 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.976 -1.636 -2.426 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.078 -3.696 -3.533 1.00 0.00 C ATOM 0 H VAL A 87 92.439 -2.599 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 87 93.537 -2.453 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 87 94.794 -1.692 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.918 -1.793 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.812 -0.568 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 87 96.016 -2.129 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.037 -3.815 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.090 -4.252 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.282 -4.079 -4.172 1.00 0.00 H new ATOM 1465 N THR A 88 93.447 0.027 -1.239 1.00 0.00 N ATOM 1466 CA THR A 88 93.255 1.443 -0.995 1.00 0.00 C ATOM 1467 C THR A 88 94.294 1.949 0.014 1.00 0.00 C ATOM 1468 O THR A 88 94.870 1.164 0.771 1.00 0.00 O ATOM 1469 CB THR A 88 91.823 1.709 -0.482 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.872 1.172 -1.410 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.558 3.192 -0.308 1.00 0.00 C ATOM 0 H THR A 88 93.786 -0.494 -0.430 1.00 0.00 H new ATOM 0 HA THR A 88 93.389 1.984 -1.932 1.00 0.00 H new ATOM 0 HB THR A 88 91.723 1.225 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.211 0.634 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.541 3.340 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.263 3.606 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.679 3.698 -1.266 1.00 0.00 H new ATOM 1479 N ASP A 89 94.555 3.251 0.001 1.00 0.00 N ATOM 1480 CA ASP A 89 95.527 3.844 0.909 1.00 0.00 C ATOM 1481 C ASP A 89 95.057 3.774 2.360 1.00 0.00 C ATOM 1482 O ASP A 89 93.990 4.282 2.714 1.00 0.00 O ATOM 1483 CB ASP A 89 95.811 5.293 0.529 1.00 0.00 C ATOM 1484 CG ASP A 89 96.643 5.993 1.579 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.764 5.519 1.873 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.178 7.013 2.124 1.00 0.00 O ATOM 0 H ASP A 89 94.106 3.916 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 89 96.446 3.265 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.332 5.323 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 89 94.869 5.826 0.396 1.00 0.00 H new ATOM 1491 N TYR A 90 95.880 3.150 3.191 1.00 0.00 N ATOM 1492 CA TYR A 90 95.574 2.964 4.603 1.00 0.00 C ATOM 1493 C TYR A 90 95.834 4.247 5.384 1.00 0.00 C ATOM 1494 O TYR A 90 95.292 4.437 6.472 1.00 0.00 O ATOM 1495 CB TYR A 90 96.420 1.810 5.153 1.00 0.00 C ATOM 1496 CG TYR A 90 96.086 1.378 6.566 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.845 0.837 6.875 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.026 1.485 7.584 1.00 0.00 C ATOM 1499 CE1 TYR A 90 94.548 0.418 8.158 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.736 1.071 8.870 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.497 0.536 9.152 1.00 0.00 C ATOM 1502 OH TYR A 90 95.204 0.117 10.431 1.00 0.00 O ATOM 0 H TYR A 90 96.778 2.759 2.906 1.00 0.00 H new ATOM 0 HA TYR A 90 94.518 2.719 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.307 0.951 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.470 2.102 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.099 0.742 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 90 98.000 1.899 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.577 0.000 8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.476 1.166 9.651 1.00 0.00 H new ATOM 0 HH TYR A 90 95.980 0.268 11.011 1.00 0.00 H new ATOM 1512 N SER A 91 96.644 5.135 4.813 1.00 0.00 N ATOM 1513 CA SER A 91 96.958 6.403 5.454 1.00 0.00 C ATOM 1514 C SER A 91 95.690 7.235 5.629 1.00 0.00 C ATOM 1515 O SER A 91 95.287 7.546 6.753 1.00 0.00 O ATOM 1516 CB SER A 91 97.983 7.179 4.623 1.00 0.00 C ATOM 1517 OG SER A 91 99.025 6.327 4.168 1.00 0.00 O ATOM 0 H SER A 91 97.093 4.997 3.908 1.00 0.00 H new ATOM 0 HA SER A 91 97.384 6.199 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.488 7.641 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.405 7.986 5.222 1.00 0.00 H new ATOM 0 HG SER A 91 98.763 5.915 3.318 1.00 0.00 H new ATOM 1523 N GLU A 92 95.045 7.573 4.516 1.00 0.00 N ATOM 1524 CA GLU A 92 93.821 8.360 4.564 1.00 0.00 C ATOM 1525 C GLU A 92 92.664 7.541 5.115 1.00 0.00 C ATOM 1526 O GLU A 92 91.753 8.093 5.729 1.00 0.00 O ATOM 1527 CB GLU A 92 93.458 8.918 3.189 1.00 0.00 C ATOM 1528 CG GLU A 92 94.470 9.911 2.650 1.00 0.00 C ATOM 1529 CD GLU A 92 93.836 10.943 1.744 1.00 0.00 C ATOM 1530 OE1 GLU A 92 93.705 10.688 0.530 1.00 0.00 O ATOM 1531 OE2 GLU A 92 93.455 12.021 2.252 1.00 0.00 O ATOM 0 H GLU A 92 95.348 7.315 3.577 1.00 0.00 H new ATOM 0 HA GLU A 92 94.006 9.199 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.362 8.092 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.483 9.402 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.961 10.415 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.244 9.375 2.101 1.00 0.00 H new ATOM 1538 N PHE A 93 92.698 6.227 4.906 1.00 0.00 N ATOM 1539 CA PHE A 93 91.674 5.352 5.468 1.00 0.00 C ATOM 1540 C PHE A 93 91.641 5.493 6.989 1.00 0.00 C ATOM 1541 O PHE A 93 90.574 5.626 7.588 1.00 0.00 O ATOM 1542 CB PHE A 93 91.927 3.896 5.070 1.00 0.00 C ATOM 1543 CG PHE A 93 90.877 2.944 5.570 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.570 3.032 5.116 1.00 0.00 C ATOM 1545 CD2 PHE A 93 91.196 1.965 6.496 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.602 2.163 5.578 1.00 0.00 C ATOM 1547 CE2 PHE A 93 90.232 1.093 6.962 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.934 1.190 6.501 1.00 0.00 C ATOM 0 H PHE A 93 93.414 5.750 4.359 1.00 0.00 H new ATOM 0 HA PHE A 93 90.705 5.649 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.978 3.829 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.899 3.587 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.306 3.789 4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 93 92.210 1.883 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.587 2.244 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 93 90.493 0.336 7.686 1.00 0.00 H new ATOM 0 HZ PHE A 93 88.180 0.506 6.861 1.00 0.00 H new ATOM 1558 N GLN A 94 92.822 5.490 7.600 1.00 0.00 N ATOM 1559 CA GLN A 94 92.951 5.699 9.038 1.00 0.00 C ATOM 1560 C GLN A 94 92.429 7.076 9.441 1.00 0.00 C ATOM 1561 O GLN A 94 91.764 7.225 10.468 1.00 0.00 O ATOM 1562 CB GLN A 94 94.414 5.552 9.459 1.00 0.00 C ATOM 1563 CG GLN A 94 94.875 4.111 9.596 1.00 0.00 C ATOM 1564 CD GLN A 94 94.177 3.377 10.723 1.00 0.00 C ATOM 1565 OE1 GLN A 94 93.068 2.727 10.413 1.00 0.00 O flip ATOM 1566 NE2 GLN A 94 94.638 3.382 11.863 1.00 0.00 N flip ATOM 0 H GLN A 94 93.709 5.344 7.118 1.00 0.00 H new ATOM 0 HA GLN A 94 92.351 4.944 9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 94 95.045 6.057 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.561 6.062 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 94 94.693 3.585 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 94 95.951 4.093 9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 94 95.496 3.895 12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 94 94.162 2.873 12.608 1.00 0.00 H new ATOM 1575 N LYS A 95 92.728 8.077 8.622 1.00 0.00 N ATOM 1576 CA LYS A 95 92.297 9.444 8.891 1.00 0.00 C ATOM 1577 C LYS A 95 90.774 9.555 8.833 1.00 0.00 C ATOM 1578 O LYS A 95 90.159 10.225 9.661 1.00 0.00 O ATOM 1579 CB LYS A 95 92.936 10.407 7.887 1.00 0.00 C ATOM 1580 CG LYS A 95 94.453 10.314 7.850 1.00 0.00 C ATOM 1581 CD LYS A 95 95.063 11.278 6.843 1.00 0.00 C ATOM 1582 CE LYS A 95 96.556 11.030 6.686 1.00 0.00 C ATOM 1583 NZ LYS A 95 97.205 12.026 5.793 1.00 0.00 N ATOM 0 H LYS A 95 93.269 7.968 7.764 1.00 0.00 H new ATOM 0 HA LYS A 95 92.622 9.714 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 95 92.541 10.199 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.647 11.428 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.853 10.526 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.747 9.295 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.568 11.163 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.893 12.304 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 95 97.032 11.061 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 95 96.715 10.029 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 98.221 11.815 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 96.771 11.981 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 97.078 12.980 6.187 1.00 0.00 H new ATOM 1597 N ILE A 96 90.172 8.882 7.863 1.00 0.00 N ATOM 1598 CA ILE A 96 88.724 8.913 7.691 1.00 0.00 C ATOM 1599 C ILE A 96 88.017 8.130 8.800 1.00 0.00 C ATOM 1600 O ILE A 96 86.906 8.480 9.206 1.00 0.00 O ATOM 1601 CB ILE A 96 88.316 8.380 6.298 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.862 9.314 5.213 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.801 8.244 6.179 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.532 8.878 3.804 1.00 0.00 C ATOM 0 H ILE A 96 90.664 8.306 7.180 1.00 0.00 H new ATOM 0 HA ILE A 96 88.407 9.954 7.760 1.00 0.00 H new ATOM 0 HB ILE A 96 88.744 7.386 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.463 10.315 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.945 9.382 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.546 7.867 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.437 7.549 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.335 9.218 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.953 9.590 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.955 7.890 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.450 8.838 3.679 1.00 0.00 H new ATOM 1616 N LEU A 97 88.667 7.090 9.309 1.00 0.00 N ATOM 1617 CA LEU A 97 88.120 6.340 10.435 1.00 0.00 C ATOM 1618 C LEU A 97 87.979 7.242 11.657 1.00 0.00 C ATOM 1619 O LEU A 97 86.967 7.210 12.352 1.00 0.00 O ATOM 1620 CB LEU A 97 88.996 5.130 10.772 1.00 0.00 C ATOM 1621 CG LEU A 97 89.012 4.021 9.719 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.827 2.838 10.209 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.596 3.586 9.381 1.00 0.00 C ATOM 0 H LEU A 97 89.564 6.749 8.965 1.00 0.00 H new ATOM 0 HA LEU A 97 87.134 5.976 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 97 90.018 5.475 10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.654 4.707 11.717 1.00 0.00 H new ATOM 0 HG LEU A 97 89.477 4.412 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.829 2.057 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.851 3.157 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.388 2.449 11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.627 2.796 8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.106 3.213 10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 97 87.038 4.437 8.990 1.00 0.00 H new ATOM 1635 N LYS A 98 88.989 8.067 11.896 1.00 0.00 N ATOM 1636 CA LYS A 98 88.955 9.019 13.002 1.00 0.00 C ATOM 1637 C LYS A 98 88.011 10.177 12.683 1.00 0.00 C ATOM 1638 O LYS A 98 87.530 10.872 13.578 1.00 0.00 O ATOM 1639 CB LYS A 98 90.364 9.546 13.290 1.00 0.00 C ATOM 1640 CG LYS A 98 91.347 8.456 13.683 1.00 0.00 C ATOM 1641 CD LYS A 98 92.749 9.007 13.890 1.00 0.00 C ATOM 1642 CE LYS A 98 93.724 7.906 14.270 1.00 0.00 C ATOM 1643 NZ LYS A 98 95.108 8.417 14.447 1.00 0.00 N ATOM 0 H LYS A 98 89.843 8.098 11.340 1.00 0.00 H new ATOM 0 HA LYS A 98 88.584 8.506 13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.739 10.062 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.311 10.284 14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.007 7.974 14.599 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.369 7.690 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.088 9.497 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.732 9.766 14.672 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.392 7.433 15.194 1.00 0.00 H new ATOM 0 HE3 LYS A 98 93.719 7.136 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 95.738 7.631 14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 95.436 8.846 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 95.120 9.133 15.201 1.00 0.00 H new ATOM 1657 N LYS A 99 87.748 10.363 11.397 1.00 0.00 N ATOM 1658 CA LYS A 99 86.872 11.426 10.923 1.00 0.00 C ATOM 1659 C LYS A 99 85.406 11.100 11.203 1.00 0.00 C ATOM 1660 O LYS A 99 84.637 11.963 11.629 1.00 0.00 O ATOM 1661 CB LYS A 99 87.092 11.630 9.421 1.00 0.00 C ATOM 1662 CG LYS A 99 86.254 12.734 8.803 1.00 0.00 C ATOM 1663 CD LYS A 99 86.483 12.815 7.304 1.00 0.00 C ATOM 1664 CE LYS A 99 85.667 13.928 6.666 1.00 0.00 C ATOM 1665 NZ LYS A 99 86.092 15.272 7.137 1.00 0.00 N ATOM 0 H LYS A 99 88.135 9.782 10.653 1.00 0.00 H new ATOM 0 HA LYS A 99 87.115 12.344 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.145 11.852 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.874 10.695 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.199 12.550 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.505 13.689 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.542 12.982 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.220 11.862 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 99 85.768 13.875 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 99 84.612 13.781 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 85.646 16.004 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 85.802 15.401 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 87.126 15.354 7.066 1.00 0.00 H new ATOM 1679 N ARG A 100 85.021 9.852 10.961 1.00 0.00 N ATOM 1680 CA ARG A 100 83.635 9.436 11.146 1.00 0.00 C ATOM 1681 C ARG A 100 83.438 8.732 12.485 1.00 0.00 C ATOM 1682 O ARG A 100 82.317 8.372 12.851 1.00 0.00 O ATOM 1683 CB ARG A 100 83.196 8.523 10.001 1.00 0.00 C ATOM 1684 CG ARG A 100 83.188 9.214 8.646 1.00 0.00 C ATOM 1685 CD ARG A 100 82.647 8.307 7.553 1.00 0.00 C ATOM 1686 NE ARG A 100 82.592 8.990 6.261 1.00 0.00 N ATOM 1687 CZ ARG A 100 81.632 8.800 5.353 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.645 7.946 5.586 1.00 0.00 N ATOM 1689 NH2 ARG A 100 81.656 9.468 4.210 1.00 0.00 N ATOM 0 H ARG A 100 85.646 9.113 10.638 1.00 0.00 H new ATOM 0 HA ARG A 100 83.016 10.333 11.144 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.862 7.662 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.197 8.143 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.581 10.117 8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.201 9.526 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.277 7.422 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 100 81.649 7.964 7.826 1.00 0.00 H new ATOM 0 HE ARG A 100 83.334 9.654 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.615 7.428 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.915 7.807 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 100 82.409 10.130 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 100 80.921 9.321 3.518 1.00 0.00 H new ATOM 1703 N GLY A 101 84.528 8.535 13.209 1.00 0.00 N ATOM 1704 CA GLY A 101 84.450 7.916 14.517 1.00 0.00 C ATOM 1705 C GLY A 101 84.263 6.414 14.440 1.00 0.00 C ATOM 1706 O GLY A 101 83.259 5.880 14.916 1.00 0.00 O ATOM 0 H GLY A 101 85.470 8.793 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.360 8.137 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.621 8.354 15.073 1.00 0.00 H new