USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 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 84 LYS NZ :NH3+ -132:sc= 0.0426 (180deg=-0.313) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.742 K(o=-0.7,f=-3.8!) USER MOD Set 2.1: A 15 THR OG1 : rot -103:sc= 0.274 USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -0.56 F(o=-1,f=-0.29) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.3) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0786 K(o=-0.079,f=-1.7!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -82:sc= 1.08 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -104:sc= -1.83 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 140:sc= -0.243 (180deg=-1.37) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.188 F(o=-0.99,f=-0.19) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.271 K(o=0.27,f=-1.2) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0354 F(o=-1.2,f=-0.035) USER MOD Single : A 79 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.96) USER MOD Single : A 80 SER OG : rot 180:sc= -1.41 USER MOD Single : A 86 ASN : amide:sc= -4.15 K(o=-4.1,f=-5.3!) USER MOD Single : A 93 SER OG : rot -160:sc= -0.957 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.557 -4.319 1.018 1.00 0.00 N ATOM 102 CA ALA A 11 -13.183 -3.838 1.099 1.00 0.00 C ATOM 103 C ALA A 11 -12.422 -4.535 2.221 1.00 0.00 C ATOM 104 O ALA A 11 -11.202 -4.686 2.156 1.00 0.00 O ATOM 105 CB ALA A 11 -13.163 -2.330 1.302 1.00 0.00 C ATOM 0 HA ALA A 11 -12.686 -4.074 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.131 -1.984 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.661 -1.843 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.682 -2.081 2.227 1.00 0.00 H new ATOM 111 N ARG A 12 -13.150 -4.957 3.250 1.00 0.00 N ATOM 112 CA ARG A 12 -12.542 -5.636 4.388 1.00 0.00 C ATOM 113 C ARG A 12 -11.820 -6.905 3.942 1.00 0.00 C ATOM 114 O ARG A 12 -10.999 -7.454 4.677 1.00 0.00 O ATOM 115 CB ARG A 12 -13.607 -5.983 5.430 1.00 0.00 C ATOM 116 CG ARG A 12 -14.597 -7.037 4.963 1.00 0.00 C ATOM 117 CD ARG A 12 -14.122 -8.440 5.308 1.00 0.00 C ATOM 118 NE ARG A 12 -14.502 -8.828 6.664 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.701 -9.301 6.984 1.00 0.00 C ATOM 120 NH1 ARG A 12 -16.632 -9.444 6.050 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.971 -9.633 8.240 1.00 0.00 N ATOM 0 H ARG A 12 -14.161 -4.841 3.319 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.812 -4.961 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.115 -6.336 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.152 -5.077 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.567 -6.856 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.737 -6.954 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.543 -9.150 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.038 -8.491 5.207 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.809 -8.730 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.428 -9.190 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.552 -9.808 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.257 -9.525 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.892 -9.996 8.485 1.00 0.00 H new ATOM 135 N ARG A 13 -12.133 -7.364 2.735 1.00 0.00 N ATOM 136 CA ARG A 13 -11.516 -8.568 2.192 1.00 0.00 C ATOM 137 C ARG A 13 -10.169 -8.247 1.552 1.00 0.00 C ATOM 138 O ARG A 13 -9.386 -9.146 1.243 1.00 0.00 O ATOM 139 CB ARG A 13 -12.440 -9.220 1.162 1.00 0.00 C ATOM 140 CG ARG A 13 -13.809 -9.581 1.714 1.00 0.00 C ATOM 141 CD ARG A 13 -14.863 -9.605 0.618 1.00 0.00 C ATOM 142 NE ARG A 13 -16.146 -10.105 1.103 1.00 0.00 N ATOM 143 CZ ARG A 13 -17.215 -10.260 0.330 1.00 0.00 C ATOM 144 NH1 ARG A 13 -17.154 -9.956 -0.959 1.00 0.00 N ATOM 145 NH2 ARG A 13 -18.347 -10.721 0.845 1.00 0.00 N ATOM 0 H ARG A 13 -12.810 -6.920 2.114 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.351 -9.264 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.565 -8.542 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.963 -10.122 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.762 -10.557 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.095 -8.860 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.994 -8.599 0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.517 -10.232 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.226 -10.349 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.285 -9.602 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.976 -10.076 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.398 -10.957 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.167 -10.839 0.250 1.00 0.00 H new ATOM 159 N LEU A 14 -9.905 -6.960 1.354 1.00 0.00 N ATOM 160 CA LEU A 14 -8.653 -6.519 0.750 1.00 0.00 C ATOM 161 C LEU A 14 -7.491 -6.681 1.725 1.00 0.00 C ATOM 162 O LEU A 14 -7.619 -6.392 2.915 1.00 0.00 O ATOM 163 CB LEU A 14 -8.763 -5.059 0.308 1.00 0.00 C ATOM 164 CG LEU A 14 -9.951 -4.718 -0.592 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.014 -3.220 -0.848 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.861 -5.481 -1.906 1.00 0.00 C ATOM 0 H LEU A 14 -10.542 -6.203 1.603 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.460 -7.143 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.817 -4.434 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.846 -4.789 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.866 -5.018 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.866 -2.996 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.126 -2.693 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.096 -2.896 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.715 -5.226 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.939 -5.212 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.865 -6.552 -1.706 1.00 0.00 H new ATOM 178 N THR A 15 -6.355 -7.144 1.212 1.00 0.00 N ATOM 179 CA THR A 15 -5.170 -7.343 2.037 1.00 0.00 C ATOM 180 C THR A 15 -3.902 -6.972 1.276 1.00 0.00 C ATOM 181 O THR A 15 -3.911 -6.862 0.050 1.00 0.00 O ATOM 182 CB THR A 15 -5.058 -8.803 2.517 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.042 -9.688 1.392 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.218 -9.161 3.433 1.00 0.00 C ATOM 0 H THR A 15 -6.231 -7.388 0.229 1.00 0.00 H new ATOM 0 HA THR A 15 -5.275 -6.690 2.904 1.00 0.00 H new ATOM 0 HB THR A 15 -4.128 -8.909 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.922 -10.107 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.118 -10.196 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.211 -8.504 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.158 -9.040 2.894 1.00 0.00 H new ATOM 192 N VAL A 16 -2.811 -6.782 2.011 1.00 0.00 N ATOM 193 CA VAL A 16 -1.534 -6.425 1.404 1.00 0.00 C ATOM 194 C VAL A 16 -0.372 -7.071 2.150 1.00 0.00 C ATOM 195 O VAL A 16 -0.142 -6.792 3.328 1.00 0.00 O ATOM 196 CB VAL A 16 -1.330 -4.898 1.382 1.00 0.00 C ATOM 197 CG1 VAL A 16 -0.162 -4.528 0.480 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.603 -4.198 0.935 1.00 0.00 C ATOM 0 H VAL A 16 -2.786 -6.869 3.027 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.556 -6.796 0.379 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.096 -4.565 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.033 -3.446 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.748 -5.001 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.363 -4.872 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.441 -3.120 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.870 -4.534 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.412 -4.437 1.626 1.00 0.00 H new ATOM 208 N THR A 17 0.361 -7.937 1.457 1.00 0.00 N ATOM 209 CA THR A 17 1.500 -8.624 2.053 1.00 0.00 C ATOM 210 C THR A 17 2.814 -8.124 1.464 1.00 0.00 C ATOM 211 O THR A 17 3.675 -7.617 2.183 1.00 0.00 O ATOM 212 CB THR A 17 1.406 -10.148 1.850 1.00 0.00 C ATOM 213 OG1 THR A 17 0.198 -10.647 2.436 1.00 0.00 O ATOM 214 CG2 THR A 17 2.604 -10.852 2.468 1.00 0.00 C ATOM 0 H THR A 17 0.186 -8.179 0.482 1.00 0.00 H new ATOM 0 HA THR A 17 1.477 -8.405 3.121 1.00 0.00 H new ATOM 0 HB THR A 17 1.400 -10.349 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.145 -11.616 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.515 -11.927 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.520 -10.492 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.638 -10.642 3.537 1.00 0.00 H new ATOM 222 N SER A 18 2.962 -8.270 0.151 1.00 0.00 N ATOM 223 CA SER A 18 4.173 -7.836 -0.535 1.00 0.00 C ATOM 224 C SER A 18 4.732 -6.566 0.101 1.00 0.00 C ATOM 225 O SER A 18 5.943 -6.425 0.274 1.00 0.00 O ATOM 226 CB SER A 18 3.886 -7.593 -2.018 1.00 0.00 C ATOM 227 OG SER A 18 4.008 -8.792 -2.763 1.00 0.00 O ATOM 0 H SER A 18 2.258 -8.686 -0.459 1.00 0.00 H new ATOM 0 HA SER A 18 4.917 -8.627 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.881 -7.188 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.578 -6.846 -2.408 1.00 0.00 H new ATOM 0 HG SER A 18 3.818 -8.611 -3.707 1.00 0.00 H new ATOM 233 N LEU A 19 3.840 -5.644 0.447 1.00 0.00 N ATOM 234 CA LEU A 19 4.242 -4.385 1.064 1.00 0.00 C ATOM 235 C LEU A 19 5.217 -4.628 2.212 1.00 0.00 C ATOM 236 O LEU A 19 4.996 -5.500 3.051 1.00 0.00 O ATOM 237 CB LEU A 19 3.014 -3.629 1.574 1.00 0.00 C ATOM 238 CG LEU A 19 3.294 -2.387 2.421 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.946 -1.302 1.579 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.010 -1.874 3.056 1.00 0.00 C ATOM 0 H LEU A 19 2.834 -5.745 0.311 1.00 0.00 H new ATOM 0 HA LEU A 19 4.744 -3.782 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.413 -3.330 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.408 -4.317 2.163 1.00 0.00 H new ATOM 0 HG LEU A 19 3.985 -2.663 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.138 -0.426 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.887 -1.673 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.281 -1.028 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.228 -0.990 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.296 -1.615 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.585 -2.649 3.694 1.00 0.00 H new ATOM 252 N GLN A 20 6.293 -3.849 2.243 1.00 0.00 N ATOM 253 CA GLN A 20 7.300 -3.979 3.289 1.00 0.00 C ATOM 254 C GLN A 20 7.095 -2.929 4.376 1.00 0.00 C ATOM 255 O GLN A 20 7.234 -1.731 4.129 1.00 0.00 O ATOM 256 CB GLN A 20 8.704 -3.847 2.695 1.00 0.00 C ATOM 257 CG GLN A 20 9.775 -4.565 3.499 1.00 0.00 C ATOM 258 CD GLN A 20 11.108 -4.618 2.780 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.198 -4.305 1.592 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.153 -5.015 3.497 1.00 0.00 N ATOM 0 H GLN A 20 6.490 -3.121 1.556 1.00 0.00 H new ATOM 0 HA GLN A 20 7.194 -4.966 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.698 -4.242 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.962 -2.790 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.903 -4.061 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.442 -5.580 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.033 -5.265 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.076 -5.070 3.066 1.00 0.00 H new ATOM 269 N GLU A 21 6.763 -3.386 5.579 1.00 0.00 N ATOM 270 CA GLU A 21 6.538 -2.485 6.703 1.00 0.00 C ATOM 271 C GLU A 21 7.760 -1.605 6.949 1.00 0.00 C ATOM 272 O GLU A 21 7.642 -0.391 7.118 1.00 0.00 O ATOM 273 CB GLU A 21 6.207 -3.283 7.967 1.00 0.00 C ATOM 274 CG GLU A 21 4.797 -3.848 7.978 1.00 0.00 C ATOM 275 CD GLU A 21 4.362 -4.303 9.358 1.00 0.00 C ATOM 276 OE1 GLU A 21 5.240 -4.666 10.168 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.143 -4.296 9.627 1.00 0.00 O ATOM 0 H GLU A 21 6.644 -4.375 5.800 1.00 0.00 H new ATOM 0 HA GLU A 21 5.693 -1.842 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.919 -4.103 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.339 -2.640 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.103 -3.090 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.741 -4.690 7.288 1.00 0.00 H new ATOM 284 N THR A 22 8.935 -2.227 6.968 1.00 0.00 N ATOM 285 CA THR A 22 10.179 -1.503 7.195 1.00 0.00 C ATOM 286 C THR A 22 11.292 -2.026 6.294 1.00 0.00 C ATOM 287 O THR A 22 11.330 -3.210 5.961 1.00 0.00 O ATOM 288 CB THR A 22 10.631 -1.608 8.664 1.00 0.00 C ATOM 289 OG1 THR A 22 11.146 -2.919 8.925 1.00 0.00 O ATOM 290 CG2 THR A 22 9.475 -1.314 9.608 1.00 0.00 C ATOM 0 H THR A 22 9.051 -3.231 6.829 1.00 0.00 H new ATOM 0 HA THR A 22 9.984 -0.457 6.957 1.00 0.00 H new ATOM 0 HB THR A 22 11.415 -0.870 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.433 -2.978 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.818 -1.394 10.639 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.104 -0.305 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.673 -2.032 9.436 1.00 0.00 H new ATOM 298 N GLY A 23 12.198 -1.135 5.902 1.00 0.00 N ATOM 299 CA GLY A 23 13.301 -1.527 5.043 1.00 0.00 C ATOM 300 C GLY A 23 13.427 -0.640 3.821 1.00 0.00 C ATOM 301 O GLY A 23 14.534 -0.339 3.373 1.00 0.00 O ATOM 0 H GLY A 23 12.188 -0.149 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.230 -1.492 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.161 -2.560 4.725 1.00 0.00 H new ATOM 305 N LEU A 24 12.290 -0.220 3.277 1.00 0.00 N ATOM 306 CA LEU A 24 12.277 0.638 2.096 1.00 0.00 C ATOM 307 C LEU A 24 13.159 1.864 2.305 1.00 0.00 C ATOM 308 O LEU A 24 12.927 2.662 3.213 1.00 0.00 O ATOM 309 CB LEU A 24 10.847 1.073 1.773 1.00 0.00 C ATOM 310 CG LEU A 24 9.831 -0.053 1.575 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.432 0.516 1.396 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.216 -0.915 0.381 1.00 0.00 C ATOM 0 H LEU A 24 11.365 -0.459 3.634 1.00 0.00 H new ATOM 0 HA LEU A 24 12.674 0.066 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.494 1.717 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.869 1.679 0.867 1.00 0.00 H new ATOM 0 HG LEU A 24 9.834 -0.681 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.723 -0.300 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.156 1.089 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.413 1.167 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.482 -1.711 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.242 -0.300 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.200 -1.352 0.550 1.00 0.00 H new ATOM 324 N LYS A 25 14.171 2.010 1.456 1.00 0.00 N ATOM 325 CA LYS A 25 15.087 3.142 1.544 1.00 0.00 C ATOM 326 C LYS A 25 14.645 4.272 0.621 1.00 0.00 C ATOM 327 O LYS A 25 13.746 4.100 -0.203 1.00 0.00 O ATOM 328 CB LYS A 25 16.508 2.702 1.185 1.00 0.00 C ATOM 329 CG LYS A 25 17.272 2.103 2.353 1.00 0.00 C ATOM 330 CD LYS A 25 18.414 1.220 1.878 1.00 0.00 C ATOM 331 CE LYS A 25 18.789 0.182 2.924 1.00 0.00 C ATOM 332 NZ LYS A 25 19.405 0.804 4.128 1.00 0.00 N ATOM 0 H LYS A 25 14.378 1.358 0.699 1.00 0.00 H new ATOM 0 HA LYS A 25 15.075 3.509 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.460 1.970 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.060 3.561 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.666 2.903 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.592 1.518 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.127 0.719 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.282 1.838 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.899 -0.375 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.485 -0.536 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.646 0.063 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.268 1.314 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.732 1.470 4.558 1.00 0.00 H new ATOM 346 N VAL A 26 15.283 5.430 0.762 1.00 0.00 N ATOM 347 CA VAL A 26 14.957 6.588 -0.061 1.00 0.00 C ATOM 348 C VAL A 26 15.201 6.299 -1.538 1.00 0.00 C ATOM 349 O VAL A 26 16.017 5.447 -1.887 1.00 0.00 O ATOM 350 CB VAL A 26 15.783 7.821 0.353 1.00 0.00 C ATOM 351 CG1 VAL A 26 17.168 7.770 -0.272 1.00 0.00 C ATOM 352 CG2 VAL A 26 15.060 9.101 -0.037 1.00 0.00 C ATOM 0 H VAL A 26 16.029 5.591 1.439 1.00 0.00 H new ATOM 0 HA VAL A 26 13.899 6.799 0.095 1.00 0.00 H new ATOM 0 HB VAL A 26 15.899 7.812 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.737 8.649 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.685 6.870 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.077 7.754 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.657 9.962 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.912 9.121 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.092 9.139 0.463 1.00 0.00 H new ATOM 362 N ASN A 27 14.488 7.016 -2.401 1.00 0.00 N ATOM 363 CA ASN A 27 14.627 6.836 -3.841 1.00 0.00 C ATOM 364 C ASN A 27 14.677 5.355 -4.203 1.00 0.00 C ATOM 365 O ASN A 27 15.603 4.901 -4.874 1.00 0.00 O ATOM 366 CB ASN A 27 15.890 7.538 -4.344 1.00 0.00 C ATOM 367 CG ASN A 27 15.915 9.011 -3.985 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.817 9.476 -3.287 1.00 0.00 O ATOM 369 ND2 ASN A 27 14.922 9.753 -4.461 1.00 0.00 N ATOM 0 H ASN A 27 13.809 7.726 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 27 13.756 7.280 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.767 7.049 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.956 7.430 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.885 10.751 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.196 9.325 -5.035 1.00 0.00 H new ATOM 376 N GLN A 28 13.674 4.607 -3.753 1.00 0.00 N ATOM 377 CA GLN A 28 13.604 3.177 -4.029 1.00 0.00 C ATOM 378 C GLN A 28 12.230 2.793 -4.568 1.00 0.00 C ATOM 379 O GLN A 28 11.195 3.148 -4.004 1.00 0.00 O ATOM 380 CB GLN A 28 13.911 2.376 -2.762 1.00 0.00 C ATOM 381 CG GLN A 28 15.378 2.400 -2.367 1.00 0.00 C ATOM 382 CD GLN A 28 16.174 1.282 -3.012 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.614 0.275 -3.444 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.489 1.455 -3.080 1.00 0.00 N ATOM 0 H GLN A 28 12.899 4.968 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 28 14.350 2.942 -4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.315 2.771 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.601 1.342 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.811 3.359 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.460 2.321 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.911 2.306 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.077 0.737 -3.503 1.00 0.00 H new ATOM 393 N PRO A 29 12.218 2.051 -5.685 1.00 0.00 N ATOM 394 CA PRO A 29 10.978 1.603 -6.324 1.00 0.00 C ATOM 395 C PRO A 29 10.249 0.548 -5.499 1.00 0.00 C ATOM 396 O PRO A 29 10.485 -0.649 -5.656 1.00 0.00 O ATOM 397 CB PRO A 29 11.457 1.006 -7.650 1.00 0.00 C ATOM 398 CG PRO A 29 12.866 0.596 -7.393 1.00 0.00 C ATOM 399 CD PRO A 29 13.415 1.592 -6.410 1.00 0.00 C ATOM 0 HA PRO A 29 10.263 2.418 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.844 0.154 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.398 1.736 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.910 -0.416 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.447 0.597 -8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.141 1.135 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.921 2.416 -6.913 1.00 0.00 H new ATOM 407 N ALA A 30 9.361 1.001 -4.620 1.00 0.00 N ATOM 408 CA ALA A 30 8.595 0.096 -3.771 1.00 0.00 C ATOM 409 C ALA A 30 7.252 -0.247 -4.407 1.00 0.00 C ATOM 410 O ALA A 30 6.396 0.620 -4.578 1.00 0.00 O ATOM 411 CB ALA A 30 8.388 0.711 -2.395 1.00 0.00 C ATOM 0 H ALA A 30 9.154 1.990 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 30 9.163 -0.828 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.815 0.024 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.356 0.899 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.844 1.651 -2.494 1.00 0.00 H new ATOM 417 N SER A 31 7.075 -1.518 -4.755 1.00 0.00 N ATOM 418 CA SER A 31 5.838 -1.975 -5.376 1.00 0.00 C ATOM 419 C SER A 31 5.323 -3.240 -4.695 1.00 0.00 C ATOM 420 O SER A 31 6.104 -4.074 -4.238 1.00 0.00 O ATOM 421 CB SER A 31 6.057 -2.238 -6.867 1.00 0.00 C ATOM 422 OG SER A 31 6.674 -3.496 -7.078 1.00 0.00 O ATOM 0 H SER A 31 7.773 -2.249 -4.617 1.00 0.00 H new ATOM 0 HA SER A 31 5.091 -1.190 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.101 -2.206 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.678 -1.449 -7.291 1.00 0.00 H new ATOM 0 HG SER A 31 6.801 -3.641 -8.039 1.00 0.00 H new ATOM 428 N PHE A 32 4.003 -3.375 -4.632 1.00 0.00 N ATOM 429 CA PHE A 32 3.382 -4.537 -4.007 1.00 0.00 C ATOM 430 C PHE A 32 2.036 -4.849 -4.654 1.00 0.00 C ATOM 431 O PHE A 32 1.541 -4.084 -5.482 1.00 0.00 O ATOM 432 CB PHE A 32 3.196 -4.297 -2.507 1.00 0.00 C ATOM 433 CG PHE A 32 2.881 -2.869 -2.163 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.872 -1.901 -2.194 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.595 -2.496 -1.809 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.585 -0.587 -1.877 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.302 -1.183 -1.491 1.00 0.00 C ATOM 438 CZ PHE A 32 2.298 -0.227 -1.526 1.00 0.00 C ATOM 0 H PHE A 32 3.342 -2.694 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 32 4.042 -5.392 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.392 -4.936 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.104 -4.597 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.879 -2.176 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.812 -3.239 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.366 0.158 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.295 -0.905 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.071 0.800 -1.280 1.00 0.00 H new ATOM 448 N ALA A 33 1.449 -5.977 -4.270 1.00 0.00 N ATOM 449 CA ALA A 33 0.160 -6.391 -4.811 1.00 0.00 C ATOM 450 C ALA A 33 -0.902 -6.446 -3.718 1.00 0.00 C ATOM 451 O ALA A 33 -0.619 -6.832 -2.583 1.00 0.00 O ATOM 452 CB ALA A 33 0.285 -7.742 -5.498 1.00 0.00 C ATOM 0 H ALA A 33 1.846 -6.621 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.152 -5.650 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.685 -8.038 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.006 -7.671 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.624 -8.487 -4.778 1.00 0.00 H new ATOM 458 N VAL A 34 -2.125 -6.059 -4.066 1.00 0.00 N ATOM 459 CA VAL A 34 -3.229 -6.065 -3.115 1.00 0.00 C ATOM 460 C VAL A 34 -4.320 -7.038 -3.546 1.00 0.00 C ATOM 461 O VAL A 34 -5.025 -6.800 -4.526 1.00 0.00 O ATOM 462 CB VAL A 34 -3.842 -4.661 -2.957 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.034 -4.701 -2.013 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.794 -3.675 -2.463 1.00 0.00 C ATOM 0 H VAL A 34 -2.376 -5.737 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.819 -6.384 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.193 -4.325 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.454 -3.700 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.792 -5.374 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.712 -5.058 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.244 -2.688 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.411 -4.005 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.975 -3.625 -3.180 1.00 0.00 H new ATOM 474 N GLN A 35 -4.454 -8.135 -2.806 1.00 0.00 N ATOM 475 CA GLN A 35 -5.460 -9.145 -3.113 1.00 0.00 C ATOM 476 C GLN A 35 -6.838 -8.703 -2.632 1.00 0.00 C ATOM 477 O GLN A 35 -6.963 -8.016 -1.617 1.00 0.00 O ATOM 478 CB GLN A 35 -5.085 -10.480 -2.468 1.00 0.00 C ATOM 479 CG GLN A 35 -6.137 -11.561 -2.653 1.00 0.00 C ATOM 480 CD GLN A 35 -5.567 -12.960 -2.522 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.370 -13.135 -2.290 1.00 0.00 O ATOM 482 NE2 GLN A 35 -6.422 -13.965 -2.671 1.00 0.00 N ATOM 0 H GLN A 35 -3.879 -8.346 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.496 -9.270 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.142 -10.826 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.919 -10.325 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.927 -11.424 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.597 -11.451 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.405 -13.774 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.095 -14.928 -2.594 1.00 0.00 H new ATOM 491 N LEU A 36 -7.871 -9.101 -3.367 1.00 0.00 N ATOM 492 CA LEU A 36 -9.242 -8.747 -3.016 1.00 0.00 C ATOM 493 C LEU A 36 -9.895 -9.850 -2.190 1.00 0.00 C ATOM 494 O LEU A 36 -10.805 -9.593 -1.403 1.00 0.00 O ATOM 495 CB LEU A 36 -10.062 -8.487 -4.280 1.00 0.00 C ATOM 496 CG LEU A 36 -9.336 -7.759 -5.413 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.964 -8.100 -6.755 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.357 -6.255 -5.180 1.00 0.00 C ATOM 0 H LEU A 36 -7.785 -9.669 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.214 -7.838 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.420 -9.444 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.941 -7.904 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.298 -8.091 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.435 -7.573 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.897 -9.175 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.011 -7.797 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.836 -5.753 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.389 -5.907 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.861 -6.026 -4.237 1.00 0.00 H new ATOM 510 N ASN A 37 -9.422 -11.078 -2.374 1.00 0.00 N ATOM 511 CA ASN A 37 -9.960 -12.221 -1.644 1.00 0.00 C ATOM 512 C ASN A 37 -11.469 -12.332 -1.842 1.00 0.00 C ATOM 513 O ASN A 37 -12.179 -12.869 -0.993 1.00 0.00 O ATOM 514 CB ASN A 37 -9.637 -12.099 -0.154 1.00 0.00 C ATOM 515 CG ASN A 37 -8.179 -12.387 0.148 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.422 -11.341 0.459 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.739 -13.536 0.101 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.668 -11.308 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.493 -13.124 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.884 -11.094 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.265 -12.790 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.358 -14.309 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.756 -13.714 0.306 1.00 0.00 H new ATOM 524 N GLY A 38 -11.952 -11.820 -2.970 1.00 0.00 N ATOM 525 CA GLY A 38 -13.373 -11.872 -3.259 1.00 0.00 C ATOM 526 C GLY A 38 -14.023 -10.503 -3.220 1.00 0.00 C ATOM 527 O GLY A 38 -15.086 -10.330 -2.626 1.00 0.00 O ATOM 0 H GLY A 38 -11.385 -11.370 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.524 -12.315 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.864 -12.525 -2.537 1.00 0.00 H new ATOM 531 N ALA A 39 -13.381 -9.527 -3.854 1.00 0.00 N ATOM 532 CA ALA A 39 -13.903 -8.166 -3.890 1.00 0.00 C ATOM 533 C ALA A 39 -13.921 -7.622 -5.314 1.00 0.00 C ATOM 534 O ALA A 39 -13.272 -8.169 -6.206 1.00 0.00 O ATOM 535 CB ALA A 39 -13.079 -7.261 -2.987 1.00 0.00 C ATOM 0 H ALA A 39 -12.499 -9.653 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.930 -8.187 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.480 -6.248 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.123 -7.632 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.043 -7.254 -3.327 1.00 0.00 H new ATOM 541 N ARG A 40 -14.668 -6.543 -5.521 1.00 0.00 N ATOM 542 CA ARG A 40 -14.772 -5.926 -6.838 1.00 0.00 C ATOM 543 C ARG A 40 -14.951 -4.416 -6.719 1.00 0.00 C ATOM 544 O ARG A 40 -15.987 -3.937 -6.260 1.00 0.00 O ATOM 545 CB ARG A 40 -15.942 -6.529 -7.617 1.00 0.00 C ATOM 546 CG ARG A 40 -15.845 -8.036 -7.794 1.00 0.00 C ATOM 547 CD ARG A 40 -14.830 -8.407 -8.863 1.00 0.00 C ATOM 548 NE ARG A 40 -15.256 -7.981 -10.194 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.539 -8.179 -11.294 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.366 -8.793 -11.223 1.00 0.00 N ATOM 551 NH2 ARG A 40 -14.994 -7.763 -12.468 1.00 0.00 N ATOM 0 H ARG A 40 -15.210 -6.078 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.845 -6.123 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.872 -6.292 -7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.994 -6.059 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.563 -8.497 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.822 -8.435 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.870 -7.949 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.678 -9.486 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.154 -7.505 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.012 -9.115 -10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.817 -8.944 -12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.896 -7.290 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.442 -7.916 -13.312 1.00 0.00 H new ATOM 565 N GLY A 41 -13.932 -3.669 -7.135 1.00 0.00 N ATOM 566 CA GLY A 41 -13.996 -2.221 -7.066 1.00 0.00 C ATOM 567 C GLY A 41 -12.800 -1.556 -7.718 1.00 0.00 C ATOM 568 O GLY A 41 -12.213 -2.098 -8.654 1.00 0.00 O ATOM 0 H GLY A 41 -13.063 -4.041 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.909 -1.877 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.055 -1.912 -6.022 1.00 0.00 H new ATOM 572 N VAL A 42 -12.439 -0.376 -7.224 1.00 0.00 N ATOM 573 CA VAL A 42 -11.306 0.365 -7.765 1.00 0.00 C ATOM 574 C VAL A 42 -10.302 0.709 -6.671 1.00 0.00 C ATOM 575 O VAL A 42 -10.646 1.351 -5.678 1.00 0.00 O ATOM 576 CB VAL A 42 -11.763 1.664 -8.455 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.571 2.405 -9.042 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.795 1.361 -9.531 1.00 0.00 C ATOM 0 H VAL A 42 -12.915 0.087 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.828 -0.280 -8.502 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.228 2.307 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.913 3.320 -9.525 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.870 2.656 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.074 1.771 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.107 2.290 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.358 0.698 -10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.661 0.877 -9.079 1.00 0.00 H new ATOM 588 N ILE A 43 -9.059 0.280 -6.861 1.00 0.00 N ATOM 589 CA ILE A 43 -8.003 0.545 -5.891 1.00 0.00 C ATOM 590 C ILE A 43 -7.241 1.818 -6.241 1.00 0.00 C ATOM 591 O ILE A 43 -6.533 1.873 -7.247 1.00 0.00 O ATOM 592 CB ILE A 43 -7.010 -0.629 -5.806 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.703 -1.873 -5.248 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.815 -0.250 -4.943 1.00 0.00 C ATOM 595 CD1 ILE A 43 -7.970 -1.801 -3.761 1.00 0.00 C ATOM 0 H ILE A 43 -8.758 -0.252 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.488 0.671 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.652 -0.856 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.648 -2.018 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.086 -2.747 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.122 -1.090 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.310 0.612 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.156 -0.000 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.463 -2.717 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.027 -1.687 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.613 -0.947 -3.548 1.00 0.00 H new ATOM 607 N ASP A 44 -7.389 2.839 -5.404 1.00 0.00 N ATOM 608 CA ASP A 44 -6.712 4.112 -5.624 1.00 0.00 C ATOM 609 C ASP A 44 -5.523 4.265 -4.680 1.00 0.00 C ATOM 610 O ASP A 44 -5.691 4.349 -3.463 1.00 0.00 O ATOM 611 CB ASP A 44 -7.687 5.273 -5.428 1.00 0.00 C ATOM 612 CG ASP A 44 -7.155 6.577 -5.990 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.530 6.547 -7.070 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.365 7.628 -5.349 1.00 0.00 O ATOM 0 H ASP A 44 -7.972 2.810 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.343 4.127 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.635 5.033 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.892 5.396 -4.365 1.00 0.00 H new ATOM 619 N ALA A 45 -4.323 4.299 -5.248 1.00 0.00 N ATOM 620 CA ALA A 45 -3.107 4.443 -4.458 1.00 0.00 C ATOM 621 C ALA A 45 -2.588 5.876 -4.505 1.00 0.00 C ATOM 622 O ALA A 45 -2.458 6.465 -5.578 1.00 0.00 O ATOM 623 CB ALA A 45 -2.040 3.477 -4.950 1.00 0.00 C ATOM 0 H ALA A 45 -4.167 4.229 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.347 4.205 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.137 3.596 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.405 2.454 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.812 3.688 -5.995 1.00 0.00 H new ATOM 629 N ARG A 46 -2.292 6.433 -3.334 1.00 0.00 N ATOM 630 CA ARG A 46 -1.789 7.798 -3.242 1.00 0.00 C ATOM 631 C ARG A 46 -0.979 7.994 -1.964 1.00 0.00 C ATOM 632 O ARG A 46 -1.443 7.679 -0.868 1.00 0.00 O ATOM 633 CB ARG A 46 -2.949 8.795 -3.282 1.00 0.00 C ATOM 634 CG ARG A 46 -3.654 8.856 -4.627 1.00 0.00 C ATOM 635 CD ARG A 46 -4.559 10.074 -4.727 1.00 0.00 C ATOM 636 NE ARG A 46 -4.845 10.431 -6.114 1.00 0.00 N ATOM 637 CZ ARG A 46 -4.014 11.131 -6.879 1.00 0.00 C ATOM 638 NH1 ARG A 46 -2.852 11.545 -6.394 1.00 0.00 N ATOM 639 NH2 ARG A 46 -4.345 11.417 -8.131 1.00 0.00 N ATOM 0 H ARG A 46 -2.392 5.959 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.136 7.976 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.674 8.527 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.573 9.787 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.913 8.885 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.243 7.951 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.494 9.875 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.087 10.919 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.731 10.126 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.594 11.326 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.216 12.082 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.238 11.100 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.706 11.954 -8.717 1.00 0.00 H new ATOM 653 N VAL A 47 0.234 8.516 -2.113 1.00 0.00 N ATOM 654 CA VAL A 47 1.109 8.754 -0.971 1.00 0.00 C ATOM 655 C VAL A 47 1.127 10.231 -0.592 1.00 0.00 C ATOM 656 O VAL A 47 0.920 11.103 -1.437 1.00 0.00 O ATOM 657 CB VAL A 47 2.549 8.293 -1.262 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.710 6.813 -0.947 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.919 8.582 -2.709 1.00 0.00 C ATOM 0 H VAL A 47 0.633 8.782 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 47 0.710 8.173 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 47 3.228 8.853 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.734 6.505 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.489 6.639 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.022 6.233 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.940 8.250 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.237 8.050 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.846 9.653 -2.896 1.00 0.00 H new ATOM 669 N HIS A 48 1.376 10.505 0.685 1.00 0.00 N ATOM 670 CA HIS A 48 1.423 11.878 1.177 1.00 0.00 C ATOM 671 C HIS A 48 2.817 12.223 1.691 1.00 0.00 C ATOM 672 O HIS A 48 3.291 11.645 2.670 1.00 0.00 O ATOM 673 CB HIS A 48 0.392 12.078 2.288 1.00 0.00 C ATOM 674 CG HIS A 48 -1.022 12.105 1.795 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.742 13.270 1.637 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.849 11.100 1.423 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.952 12.981 1.191 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.042 11.671 1.052 1.00 0.00 N ATOM 0 H HIS A 48 1.548 9.795 1.397 1.00 0.00 H new ATOM 0 HA HIS A 48 1.186 12.545 0.348 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.498 11.277 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.605 13.013 2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.615 10.046 1.419 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.734 13.695 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.864 11.165 0.723 1.00 0.00 H new ATOM 687 N THR A 49 3.470 13.171 1.025 1.00 0.00 N ATOM 688 CA THR A 49 4.810 13.592 1.414 1.00 0.00 C ATOM 689 C THR A 49 4.787 14.347 2.738 1.00 0.00 C ATOM 690 O THR A 49 3.796 14.982 3.101 1.00 0.00 O ATOM 691 CB THR A 49 5.452 14.487 0.337 1.00 0.00 C ATOM 692 OG1 THR A 49 4.670 15.672 0.154 1.00 0.00 O ATOM 693 CG2 THR A 49 5.570 13.742 -0.985 1.00 0.00 C ATOM 0 H THR A 49 3.092 13.661 0.214 1.00 0.00 H new ATOM 0 HA THR A 49 5.406 12.686 1.526 1.00 0.00 H new ATOM 0 HB THR A 49 6.452 14.761 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.918 15.478 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.026 14.394 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.190 12.856 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.578 13.442 -1.323 1.00 0.00 H new ATOM 701 N PRO A 50 5.903 14.281 3.478 1.00 0.00 N ATOM 702 CA PRO A 50 6.036 14.954 4.773 1.00 0.00 C ATOM 703 C PRO A 50 6.102 16.471 4.634 1.00 0.00 C ATOM 704 O PRO A 50 6.020 17.199 5.623 1.00 0.00 O ATOM 705 CB PRO A 50 7.357 14.410 5.322 1.00 0.00 C ATOM 706 CG PRO A 50 8.135 14.014 4.115 1.00 0.00 C ATOM 707 CD PRO A 50 7.123 13.543 3.107 1.00 0.00 C ATOM 0 HA PRO A 50 5.179 14.765 5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.885 15.166 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.191 13.559 5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.710 14.855 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.847 13.224 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.436 13.770 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.973 12.465 3.162 1.00 0.00 H new ATOM 715 N SER A 51 6.250 16.942 3.399 1.00 0.00 N ATOM 716 CA SER A 51 6.330 18.373 3.131 1.00 0.00 C ATOM 717 C SER A 51 4.938 18.995 3.079 1.00 0.00 C ATOM 718 O SER A 51 4.572 19.799 3.936 1.00 0.00 O ATOM 719 CB SER A 51 7.064 18.626 1.813 1.00 0.00 C ATOM 720 OG SER A 51 7.327 20.006 1.632 1.00 0.00 O ATOM 0 H SER A 51 6.317 16.353 2.569 1.00 0.00 H new ATOM 0 HA SER A 51 6.887 18.839 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.001 18.070 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.464 18.255 0.982 1.00 0.00 H new ATOM 0 HG SER A 51 7.798 20.141 0.783 1.00 0.00 H new ATOM 726 N GLY A 52 4.165 18.615 2.066 1.00 0.00 N ATOM 727 CA GLY A 52 2.821 19.144 1.920 1.00 0.00 C ATOM 728 C GLY A 52 2.324 19.075 0.490 1.00 0.00 C ATOM 729 O GLY A 52 1.575 19.944 0.043 1.00 0.00 O ATOM 0 H GLY A 52 4.445 17.951 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.142 18.586 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.803 20.180 2.258 1.00 0.00 H new ATOM 733 N ALA A 53 2.742 18.040 -0.231 1.00 0.00 N ATOM 734 CA ALA A 53 2.333 17.861 -1.619 1.00 0.00 C ATOM 735 C ALA A 53 1.733 16.476 -1.840 1.00 0.00 C ATOM 736 O ALA A 53 2.365 15.461 -1.551 1.00 0.00 O ATOM 737 CB ALA A 53 3.516 18.079 -2.550 1.00 0.00 C ATOM 0 H ALA A 53 3.364 17.313 0.123 1.00 0.00 H new ATOM 0 HA ALA A 53 1.566 18.602 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.196 17.942 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.900 19.091 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.301 17.360 -2.315 1.00 0.00 H new ATOM 743 N VAL A 54 0.507 16.443 -2.354 1.00 0.00 N ATOM 744 CA VAL A 54 -0.179 15.183 -2.614 1.00 0.00 C ATOM 745 C VAL A 54 0.391 14.491 -3.847 1.00 0.00 C ATOM 746 O VAL A 54 0.133 14.904 -4.977 1.00 0.00 O ATOM 747 CB VAL A 54 -1.691 15.398 -2.813 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.345 14.132 -3.344 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.342 15.838 -1.510 1.00 0.00 C ATOM 0 H VAL A 54 -0.031 17.274 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.021 14.551 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.834 16.189 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.413 14.303 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.897 13.865 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.194 13.319 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.410 15.985 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.190 15.071 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.892 16.773 -1.176 1.00 0.00 H new ATOM 759 N GLU A 55 1.168 13.437 -3.621 1.00 0.00 N ATOM 760 CA GLU A 55 1.776 12.688 -4.715 1.00 0.00 C ATOM 761 C GLU A 55 0.788 11.682 -5.299 1.00 0.00 C ATOM 762 O GLU A 55 -0.318 11.515 -4.788 1.00 0.00 O ATOM 763 CB GLU A 55 3.032 11.962 -4.229 1.00 0.00 C ATOM 764 CG GLU A 55 4.272 12.840 -4.206 1.00 0.00 C ATOM 765 CD GLU A 55 4.701 13.281 -5.592 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.420 12.511 -6.262 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.318 14.395 -6.005 1.00 0.00 O ATOM 0 H GLU A 55 1.391 13.082 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 55 2.054 13.395 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.853 11.575 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.217 11.103 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.078 13.720 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.089 12.296 -3.733 1.00 0.00 H new ATOM 774 N GLU A 56 1.198 11.016 -6.375 1.00 0.00 N ATOM 775 CA GLU A 56 0.348 10.028 -7.030 1.00 0.00 C ATOM 776 C GLU A 56 1.081 8.698 -7.185 1.00 0.00 C ATOM 777 O GLU A 56 2.307 8.662 -7.296 1.00 0.00 O ATOM 778 CB GLU A 56 -0.101 10.538 -8.401 1.00 0.00 C ATOM 779 CG GLU A 56 0.906 10.277 -9.508 1.00 0.00 C ATOM 780 CD GLU A 56 2.146 11.142 -9.385 1.00 0.00 C ATOM 781 OE1 GLU A 56 2.092 12.319 -9.798 1.00 0.00 O ATOM 782 OE2 GLU A 56 3.170 10.641 -8.874 1.00 0.00 O ATOM 0 H GLU A 56 2.112 11.143 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.530 9.869 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.047 10.065 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.288 11.610 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.197 9.227 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.434 10.460 -10.474 1.00 0.00 H new ATOM 789 N CYS A 57 0.321 7.609 -7.191 1.00 0.00 N ATOM 790 CA CYS A 57 0.897 6.276 -7.331 1.00 0.00 C ATOM 791 C CYS A 57 0.650 5.721 -8.730 1.00 0.00 C ATOM 792 O CYS A 57 0.053 6.387 -9.577 1.00 0.00 O ATOM 793 CB CYS A 57 0.308 5.331 -6.283 1.00 0.00 C ATOM 794 SG CYS A 57 0.563 5.870 -4.576 1.00 0.00 S ATOM 0 H CYS A 57 -0.695 7.622 -7.101 1.00 0.00 H new ATOM 0 HA CYS A 57 1.973 6.354 -7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.762 5.227 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.751 4.343 -6.411 1.00 0.00 H new ATOM 0 HG CYS A 57 1.501 5.154 -4.030 1.00 0.00 H new ATOM 800 N TYR A 58 1.114 4.499 -8.967 1.00 0.00 N ATOM 801 CA TYR A 58 0.947 3.856 -10.265 1.00 0.00 C ATOM 802 C TYR A 58 0.180 2.544 -10.128 1.00 0.00 C ATOM 803 O TYR A 58 0.699 1.561 -9.600 1.00 0.00 O ATOM 804 CB TYR A 58 2.310 3.598 -10.908 1.00 0.00 C ATOM 805 CG TYR A 58 2.227 3.198 -12.364 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.981 1.880 -12.729 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.394 4.137 -13.374 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.905 1.509 -14.057 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.317 3.775 -14.705 1.00 0.00 C ATOM 810 CZ TYR A 58 2.073 2.460 -15.042 1.00 0.00 C ATOM 811 OH TYR A 58 1.997 2.095 -16.367 1.00 0.00 O ATOM 0 H TYR A 58 1.609 3.934 -8.277 1.00 0.00 H new ATOM 0 HA TYR A 58 0.372 4.527 -10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.919 4.498 -10.821 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.821 2.812 -10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.847 1.133 -11.961 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.587 5.167 -13.114 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.715 0.480 -14.323 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.447 4.518 -15.478 1.00 0.00 H new ATOM 0 HH TYR A 58 2.137 2.883 -16.932 1.00 0.00 H new ATOM 821 N VAL A 59 -1.059 2.538 -10.609 1.00 0.00 N ATOM 822 CA VAL A 59 -1.898 1.348 -10.544 1.00 0.00 C ATOM 823 C VAL A 59 -2.633 1.120 -11.860 1.00 0.00 C ATOM 824 O VAL A 59 -3.419 1.960 -12.298 1.00 0.00 O ATOM 825 CB VAL A 59 -2.930 1.451 -9.404 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.715 2.749 -9.510 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.864 0.250 -9.422 1.00 0.00 C ATOM 0 H VAL A 59 -1.504 3.344 -11.048 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.236 0.504 -10.351 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.397 1.454 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.439 2.804 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.030 3.595 -9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.239 2.780 -10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.586 0.339 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.392 0.214 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.284 -0.664 -9.293 1.00 0.00 H new ATOM 917 N LYS A 66 -6.406 -8.620 -9.251 1.00 0.00 N ATOM 918 CA LYS A 66 -5.444 -8.008 -8.342 1.00 0.00 C ATOM 919 C LYS A 66 -4.998 -6.644 -8.860 1.00 0.00 C ATOM 920 O LYS A 66 -5.199 -6.318 -10.030 1.00 0.00 O ATOM 921 CB LYS A 66 -4.228 -8.919 -8.161 1.00 0.00 C ATOM 922 CG LYS A 66 -4.406 -9.961 -7.070 1.00 0.00 C ATOM 923 CD LYS A 66 -3.067 -10.459 -6.552 1.00 0.00 C ATOM 924 CE LYS A 66 -2.305 -11.225 -7.622 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.494 -10.318 -8.481 1.00 0.00 N ATOM 0 HA LYS A 66 -5.932 -7.870 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.020 -9.424 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.357 -8.306 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.979 -9.534 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.982 -10.801 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.469 -9.613 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.227 -11.102 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.651 -11.958 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.009 -11.780 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.575 -10.761 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.998 -10.143 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.342 -9.416 -7.986 1.00 0.00 H new ATOM 939 N HIS A 67 -4.391 -5.852 -7.982 1.00 0.00 N ATOM 940 CA HIS A 67 -3.914 -4.524 -8.352 1.00 0.00 C ATOM 941 C HIS A 67 -2.459 -4.334 -7.936 1.00 0.00 C ATOM 942 O HIS A 67 -2.057 -4.734 -6.842 1.00 0.00 O ATOM 943 CB HIS A 67 -4.787 -3.448 -7.707 1.00 0.00 C ATOM 944 CG HIS A 67 -6.179 -3.397 -8.255 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.343 -3.884 -7.763 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.495 -2.792 -9.453 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.330 -3.565 -8.662 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.793 -2.907 -9.673 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.218 -6.107 -7.010 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.978 -4.431 -9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.835 -3.627 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.314 -2.476 -7.848 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.792 -2.301 -10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.376 -3.812 -8.559 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.295 -2.548 -10.486 1.00 0.00 H new ATOM 957 N THR A 68 -1.672 -3.720 -8.814 1.00 0.00 N ATOM 958 CA THR A 68 -0.261 -3.478 -8.538 1.00 0.00 C ATOM 959 C THR A 68 0.007 -1.996 -8.303 1.00 0.00 C ATOM 960 O THR A 68 -0.475 -1.143 -9.048 1.00 0.00 O ATOM 961 CB THR A 68 0.630 -3.972 -9.694 1.00 0.00 C ATOM 962 OG1 THR A 68 0.281 -5.317 -10.041 1.00 0.00 O ATOM 963 CG2 THR A 68 2.100 -3.907 -9.309 1.00 0.00 C ATOM 0 H THR A 68 -1.988 -3.381 -9.723 1.00 0.00 H new ATOM 0 HA THR A 68 -0.015 -4.037 -7.635 1.00 0.00 H new ATOM 0 HB THR A 68 0.467 -3.322 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.850 -5.623 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.710 -4.261 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.369 -2.877 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.276 -4.536 -8.437 1.00 0.00 H new ATOM 971 N ILE A 69 0.778 -1.697 -7.263 1.00 0.00 N ATOM 972 CA ILE A 69 1.111 -0.317 -6.931 1.00 0.00 C ATOM 973 C ILE A 69 2.614 -0.077 -7.023 1.00 0.00 C ATOM 974 O ILE A 69 3.414 -0.964 -6.723 1.00 0.00 O ATOM 975 CB ILE A 69 0.629 0.053 -5.516 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.649 -0.714 -5.172 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.398 1.553 -5.412 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.828 -0.347 -6.046 1.00 0.00 C ATOM 0 H ILE A 69 1.184 -2.392 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 69 0.600 0.315 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 69 1.401 -0.227 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.457 -1.783 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.907 -0.525 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.058 1.800 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.329 2.080 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.359 1.856 -6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.699 -0.929 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.046 0.715 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.590 -0.562 -7.088 1.00 0.00 H new ATOM 990 N ARG A 70 2.991 1.127 -7.439 1.00 0.00 N ATOM 991 CA ARG A 70 4.398 1.485 -7.570 1.00 0.00 C ATOM 992 C ARG A 70 4.614 2.965 -7.269 1.00 0.00 C ATOM 993 O ARG A 70 4.027 3.833 -7.916 1.00 0.00 O ATOM 994 CB ARG A 70 4.899 1.162 -8.979 1.00 0.00 C ATOM 995 CG ARG A 70 6.414 1.089 -9.085 1.00 0.00 C ATOM 996 CD ARG A 70 6.878 1.204 -10.529 1.00 0.00 C ATOM 997 NE ARG A 70 6.524 2.494 -11.115 1.00 0.00 N ATOM 998 CZ ARG A 70 6.643 2.770 -12.409 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.104 1.852 -13.247 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.300 3.967 -12.868 1.00 0.00 N ATOM 0 H ARG A 70 2.341 1.872 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 70 4.964 0.899 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.475 0.210 -9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.531 1.921 -9.669 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.860 1.889 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.764 0.147 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.959 1.069 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.432 0.403 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 70 6.166 3.222 -10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.369 0.930 -12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.194 2.067 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.945 4.676 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.392 4.178 -13.862 1.00 0.00 H new ATOM 1014 N PHE A 71 5.458 3.246 -6.282 1.00 0.00 N ATOM 1015 CA PHE A 71 5.750 4.621 -5.894 1.00 0.00 C ATOM 1016 C PHE A 71 7.071 4.703 -5.133 1.00 0.00 C ATOM 1017 O PHE A 71 7.431 3.786 -4.394 1.00 0.00 O ATOM 1018 CB PHE A 71 4.617 5.181 -5.032 1.00 0.00 C ATOM 1019 CG PHE A 71 4.294 4.329 -3.838 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.165 4.263 -2.762 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.121 3.594 -3.791 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.871 3.480 -1.661 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.821 2.810 -2.694 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.698 2.752 -1.628 1.00 0.00 C ATOM 0 H PHE A 71 5.952 2.540 -5.736 1.00 0.00 H new ATOM 0 HA PHE A 71 5.836 5.218 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.890 6.180 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.722 5.286 -5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.084 4.830 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.433 3.634 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.557 3.438 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.902 2.243 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.466 2.138 -0.770 1.00 0.00 H new ATOM 1034 N ILE A 72 7.787 5.806 -5.321 1.00 0.00 N ATOM 1035 CA ILE A 72 9.067 6.008 -4.653 1.00 0.00 C ATOM 1036 C ILE A 72 9.008 7.198 -3.701 1.00 0.00 C ATOM 1037 O ILE A 72 8.564 8.289 -4.059 1.00 0.00 O ATOM 1038 CB ILE A 72 10.203 6.232 -5.669 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.370 5.000 -6.560 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.504 6.551 -4.946 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.065 5.293 -7.871 1.00 0.00 C ATOM 0 H ILE A 72 7.503 6.573 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 72 9.273 5.101 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 72 9.944 7.081 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.938 4.244 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.388 4.574 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.298 6.707 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.377 7.455 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.770 5.720 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.149 4.374 -8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.487 6.026 -8.433 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.061 5.690 -7.674 1.00 0.00 H new ATOM 1053 N PRO A 73 9.469 6.985 -2.460 1.00 0.00 N ATOM 1054 CA PRO A 73 9.482 8.030 -1.431 1.00 0.00 C ATOM 1055 C PRO A 73 10.503 9.123 -1.728 1.00 0.00 C ATOM 1056 O PRO A 73 11.651 9.051 -1.289 1.00 0.00 O ATOM 1057 CB PRO A 73 9.868 7.270 -0.159 1.00 0.00 C ATOM 1058 CG PRO A 73 10.626 6.082 -0.643 1.00 0.00 C ATOM 1059 CD PRO A 73 10.013 5.710 -1.965 1.00 0.00 C ATOM 0 HA PRO A 73 8.524 8.546 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.478 7.887 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.986 6.973 0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.685 6.314 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.554 5.258 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.754 5.297 -2.649 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.232 4.958 -1.849 1.00 0.00 H new ATOM 1067 N HIS A 74 10.077 10.136 -2.476 1.00 0.00 N ATOM 1068 CA HIS A 74 10.954 11.246 -2.831 1.00 0.00 C ATOM 1069 C HIS A 74 11.746 11.722 -1.617 1.00 0.00 C ATOM 1070 O HIS A 74 12.856 12.236 -1.752 1.00 0.00 O ATOM 1071 CB HIS A 74 10.139 12.404 -3.408 1.00 0.00 C ATOM 1072 CG HIS A 74 9.766 12.215 -4.846 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.282 11.026 -5.349 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.805 13.075 -5.891 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.043 11.161 -6.641 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.352 12.396 -6.995 1.00 0.00 N ATOM 0 H HIS A 74 9.130 10.211 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 74 11.656 10.894 -3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.230 12.527 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.712 13.326 -3.308 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.132 10.175 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.132 14.104 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.660 10.393 -7.296 1.00 0.00 H new ATOM 1085 N GLU A 75 11.168 11.547 -0.433 1.00 0.00 N ATOM 1086 CA GLU A 75 11.821 11.960 0.804 1.00 0.00 C ATOM 1087 C GLU A 75 11.779 10.842 1.841 1.00 0.00 C ATOM 1088 O GLU A 75 11.327 9.734 1.556 1.00 0.00 O ATOM 1089 CB GLU A 75 11.151 13.216 1.365 1.00 0.00 C ATOM 1090 CG GLU A 75 10.637 14.163 0.293 1.00 0.00 C ATOM 1091 CD GLU A 75 10.101 15.460 0.868 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.464 15.795 2.015 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.320 16.139 0.170 1.00 0.00 O ATOM 0 H GLU A 75 10.250 11.122 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 75 12.864 12.183 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.320 12.919 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.864 13.747 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.443 14.386 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.849 13.669 -0.275 1.00 0.00 H new ATOM 1100 N ASN A 76 12.255 11.142 3.045 1.00 0.00 N ATOM 1101 CA ASN A 76 12.274 10.162 4.125 1.00 0.00 C ATOM 1102 C ASN A 76 11.086 10.361 5.061 1.00 0.00 C ATOM 1103 O ASN A 76 10.333 11.325 4.929 1.00 0.00 O ATOM 1104 CB ASN A 76 13.582 10.266 4.913 1.00 0.00 C ATOM 1105 CG ASN A 76 14.751 9.637 4.180 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.558 8.414 3.699 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.814 10.244 4.048 1.00 0.00 N flip ATOM 0 H ASN A 76 12.633 12.055 3.297 1.00 0.00 H new ATOM 0 HA ASN A 76 12.202 9.169 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.802 11.315 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.459 9.780 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.917 11.182 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.592 9.809 3.552 1.00 0.00 H new ATOM 1114 N GLY A 77 10.925 9.441 6.008 1.00 0.00 N ATOM 1115 CA GLY A 77 9.827 9.534 6.952 1.00 0.00 C ATOM 1116 C GLY A 77 8.736 8.519 6.674 1.00 0.00 C ATOM 1117 O GLY A 77 8.848 7.713 5.750 1.00 0.00 O ATOM 0 H GLY A 77 11.535 8.634 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.207 9.386 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.403 10.538 6.914 1.00 0.00 H new ATOM 1121 N VAL A 78 7.676 8.556 7.476 1.00 0.00 N ATOM 1122 CA VAL A 78 6.560 7.633 7.312 1.00 0.00 C ATOM 1123 C VAL A 78 5.467 8.241 6.441 1.00 0.00 C ATOM 1124 O VAL A 78 4.702 9.095 6.891 1.00 0.00 O ATOM 1125 CB VAL A 78 5.956 7.235 8.672 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.808 6.256 8.481 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.026 6.645 9.578 1.00 0.00 C ATOM 0 H VAL A 78 7.567 9.216 8.246 1.00 0.00 H new ATOM 0 HA VAL A 78 6.955 6.742 6.824 1.00 0.00 H new ATOM 0 HB VAL A 78 5.561 8.131 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.394 5.986 9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.032 6.720 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.174 5.359 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.582 6.369 10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.453 5.759 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.811 7.383 9.742 1.00 0.00 H new ATOM 1137 N HIS A 79 5.398 7.795 5.191 1.00 0.00 N ATOM 1138 CA HIS A 79 4.396 8.295 4.255 1.00 0.00 C ATOM 1139 C HIS A 79 3.023 7.705 4.563 1.00 0.00 C ATOM 1140 O HIS A 79 2.906 6.743 5.321 1.00 0.00 O ATOM 1141 CB HIS A 79 4.798 7.960 2.818 1.00 0.00 C ATOM 1142 CG HIS A 79 5.982 8.737 2.331 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.041 9.084 3.143 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.271 9.233 1.105 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.930 9.761 2.438 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.487 9.865 1.198 1.00 0.00 N ATOM 0 H HIS A 79 6.023 7.089 4.802 1.00 0.00 H new ATOM 0 HA HIS A 79 4.339 9.378 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.020 6.895 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.952 8.152 2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.659 9.148 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.861 10.161 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.969 10.338 0.434 1.00 0.00 H new ATOM 1155 N SER A 80 1.987 8.290 3.970 1.00 0.00 N ATOM 1156 CA SER A 80 0.622 7.825 4.185 1.00 0.00 C ATOM 1157 C SER A 80 0.022 7.285 2.890 1.00 0.00 C ATOM 1158 O SER A 80 -0.192 8.031 1.934 1.00 0.00 O ATOM 1159 CB SER A 80 -0.247 8.962 4.727 1.00 0.00 C ATOM 1160 OG SER A 80 -1.372 8.456 5.424 1.00 0.00 O ATOM 0 H SER A 80 2.067 9.086 3.337 1.00 0.00 H new ATOM 0 HA SER A 80 0.650 7.018 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.345 9.591 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.579 9.594 3.904 1.00 0.00 H new ATOM 0 HG SER A 80 -1.910 9.202 5.762 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.246 5.984 2.868 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.822 5.343 1.692 1.00 0.00 C ATOM 1168 C ILE A 81 -2.345 5.347 1.754 1.00 0.00 C ATOM 1169 O ILE A 81 -2.946 4.624 2.549 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.329 3.891 1.544 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.147 3.788 1.934 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.541 3.403 0.118 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.089 4.337 0.885 1.00 0.00 C ATOM 0 H ILE A 81 -0.074 5.353 3.651 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.495 5.919 0.827 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.908 3.256 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.306 4.324 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.393 2.743 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.188 2.376 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.602 3.444 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.015 4.039 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.118 4.231 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.959 3.785 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.870 5.391 0.715 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.964 6.164 0.909 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.419 6.260 0.865 1.00 0.00 C ATOM 1187 C ASP A 82 -5.007 5.192 -0.051 1.00 0.00 C ATOM 1188 O ASP A 82 -4.932 5.300 -1.275 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.845 7.650 0.389 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.352 7.799 0.314 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -6.988 7.028 -0.434 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.895 8.687 1.004 1.00 0.00 O ATOM 0 H ASP A 82 -2.481 6.769 0.245 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.800 6.097 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.442 8.402 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.414 7.842 -0.594 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.591 4.160 0.549 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.192 3.072 -0.213 1.00 0.00 C ATOM 1199 C VAL A 83 -7.713 3.112 -0.122 1.00 0.00 C ATOM 1200 O VAL A 83 -8.286 2.947 0.955 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.695 1.700 0.281 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.257 0.585 -0.587 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.174 1.659 0.297 1.00 0.00 C ATOM 0 H VAL A 83 -5.661 4.054 1.561 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.890 3.208 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.051 1.549 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.895 -0.377 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.346 0.603 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.933 0.728 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.840 0.683 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.795 1.831 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.796 2.434 0.964 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.362 3.333 -1.260 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.818 3.393 -1.311 1.00 0.00 C ATOM 1215 C LYS A 84 -10.375 2.316 -2.237 1.00 0.00 C ATOM 1216 O LYS A 84 -9.764 1.979 -3.251 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.275 4.775 -1.785 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.305 5.817 -0.681 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.993 7.093 -1.137 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.017 8.139 -0.032 1.00 0.00 C ATOM 1221 NZ LYS A 84 -9.646 8.597 0.327 1.00 0.00 N ATOM 0 H LYS A 84 -7.903 3.474 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.200 3.215 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.609 5.117 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.271 4.690 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.825 5.413 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.287 6.044 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.476 7.495 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.013 6.867 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.613 8.993 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.504 7.724 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.534 8.581 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.944 7.964 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.501 9.566 -0.022 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.539 1.782 -1.883 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.179 0.744 -2.683 1.00 0.00 C ATOM 1237 C PHE A 85 -13.680 0.991 -2.794 1.00 0.00 C ATOM 1238 O PHE A 85 -14.384 1.066 -1.788 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.921 -0.634 -2.069 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.020 -1.759 -3.059 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.257 -1.750 -4.216 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -12.875 -2.825 -2.833 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.346 -2.784 -5.129 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -12.967 -3.862 -3.742 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.202 -3.841 -4.892 1.00 0.00 C ATOM 0 H PHE A 85 -12.059 2.051 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.749 0.774 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.928 -0.643 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.637 -0.804 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.585 -0.926 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.477 -2.846 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.746 -2.765 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -13.637 -4.688 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.273 -4.650 -5.604 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.164 1.117 -4.026 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.581 1.357 -4.270 1.00 0.00 C ATOM 1257 C ASN A 86 -16.068 2.577 -3.494 1.00 0.00 C ATOM 1258 O ASN A 86 -17.244 2.677 -3.149 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.403 0.127 -3.876 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.054 -1.092 -4.708 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -16.365 -1.154 -5.898 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -15.406 -2.068 -4.084 1.00 0.00 N ATOM 0 H ASN A 86 -13.595 1.057 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.713 1.549 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.236 -0.096 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.464 0.350 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.145 -2.913 -4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.169 -1.973 -3.097 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.153 3.504 -3.225 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.508 4.706 -2.493 1.00 0.00 C ATOM 1271 C GLY A 87 -15.561 4.478 -0.996 1.00 0.00 C ATOM 1272 O GLY A 87 -16.380 5.076 -0.299 1.00 0.00 O ATOM 0 H GLY A 87 -14.173 3.444 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.782 5.489 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.478 5.064 -2.837 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.685 3.610 -0.500 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.635 3.305 0.925 1.00 0.00 C ATOM 1278 C ALA A 88 -13.196 3.123 1.397 1.00 0.00 C ATOM 1279 O ALA A 88 -12.327 2.714 0.626 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.454 2.059 1.227 1.00 0.00 C ATOM 0 H ALA A 88 -14.001 3.106 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.064 4.148 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.408 1.843 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.491 2.226 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.051 1.214 0.668 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.952 3.428 2.667 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.618 3.297 3.242 1.00 0.00 C ATOM 1288 C HIS A 89 -11.399 1.892 3.794 1.00 0.00 C ATOM 1289 O HIS A 89 -12.207 1.390 4.577 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.413 4.331 4.349 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.845 5.628 3.861 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.499 5.924 3.903 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.450 6.709 3.316 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.300 7.132 3.407 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.468 7.630 3.042 1.00 0.00 N ATOM 0 H HIS A 89 -13.660 3.768 3.318 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.890 3.474 2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.369 4.523 4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.748 3.914 5.105 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.770 5.306 4.261 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.508 6.826 3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.345 7.628 3.315 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.304 1.263 3.381 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.980 -0.084 3.836 1.00 0.00 C ATOM 1306 C ILE A 90 -9.521 -0.078 5.290 1.00 0.00 C ATOM 1307 O ILE A 90 -8.964 0.900 5.787 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.883 -0.723 2.965 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.545 -0.016 3.191 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.274 -0.670 1.496 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.344 -0.882 2.885 1.00 0.00 C ATOM 0 H ILE A 90 -9.626 1.664 2.733 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.892 -0.675 3.749 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.774 -1.768 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.506 0.878 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.489 0.315 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.488 -1.126 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.207 -1.215 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.408 0.368 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.431 -0.315 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.358 -1.764 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.376 -1.192 1.841 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.758 -1.198 5.989 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.375 -1.348 7.396 1.00 0.00 C ATOM 1325 C PRO A 91 -7.864 -1.437 7.579 1.00 0.00 C ATOM 1326 O PRO A 91 -7.255 -2.469 7.300 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.042 -2.663 7.807 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.186 -3.428 6.537 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.419 -2.403 5.461 1.00 0.00 C ATOM 0 HA PRO A 91 -9.684 -0.492 7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.433 -3.207 8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.011 -2.486 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.290 -4.014 6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.019 -4.129 6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.987 -2.714 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.482 -2.235 5.289 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.264 -0.348 8.049 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.828 -0.325 8.261 1.00 0.00 C ATOM 1339 C GLY A 92 -5.156 0.835 7.554 1.00 0.00 C ATOM 1340 O GLY A 92 -3.994 1.143 7.818 1.00 0.00 O ATOM 0 H GLY A 92 -7.746 0.519 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.623 -0.263 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.397 -1.261 7.907 1.00 0.00 H new ATOM 1344 N SER A 93 -5.888 1.479 6.650 1.00 0.00 N ATOM 1345 CA SER A 93 -5.354 2.608 5.897 1.00 0.00 C ATOM 1346 C SER A 93 -5.643 3.924 6.614 1.00 0.00 C ATOM 1347 O SER A 93 -6.608 4.051 7.367 1.00 0.00 O ATOM 1348 CB SER A 93 -5.951 2.638 4.490 1.00 0.00 C ATOM 1349 OG SER A 93 -6.063 3.968 4.011 1.00 0.00 O ATOM 0 H SER A 93 -6.852 1.238 6.421 1.00 0.00 H new ATOM 0 HA SER A 93 -4.274 2.485 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.325 2.056 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.934 2.167 4.499 1.00 0.00 H new ATOM 0 HG SER A 93 -6.715 3.999 3.280 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.786 4.928 6.374 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.634 4.788 5.479 1.00 0.00 C ATOM 1357 C PRO A 94 -2.557 3.877 6.059 1.00 0.00 C ATOM 1358 O PRO A 94 -2.348 3.841 7.272 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.110 6.220 5.349 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.559 6.903 6.595 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.877 6.276 6.958 1.00 0.00 C ATOM 0 HA PRO A 94 -3.910 4.332 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.024 6.237 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.512 6.710 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.831 6.773 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.668 7.976 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.020 6.237 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.716 6.837 6.546 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.875 3.144 5.185 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.819 2.233 5.611 1.00 0.00 C ATOM 1371 C PHE A 95 0.483 2.988 5.862 1.00 0.00 C ATOM 1372 O PHE A 95 1.181 3.374 4.924 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.597 1.147 4.557 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.663 0.089 4.552 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.907 -0.674 5.682 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.422 -0.143 3.416 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.888 -1.647 5.681 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.405 -1.115 3.409 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.637 -1.869 4.542 1.00 0.00 C ATOM 0 H PHE A 95 -2.035 3.163 4.178 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.132 1.765 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.553 1.612 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.370 0.676 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.323 -0.506 6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.244 0.442 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.069 -2.233 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.991 -1.284 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.403 -2.631 4.538 1.00 0.00 H new ATOM 1389 N LYS A 96 0.804 3.196 7.134 1.00 0.00 N ATOM 1390 CA LYS A 96 2.022 3.904 7.511 1.00 0.00 C ATOM 1391 C LYS A 96 3.254 3.046 7.244 1.00 0.00 C ATOM 1392 O LYS A 96 3.513 2.075 7.956 1.00 0.00 O ATOM 1393 CB LYS A 96 1.971 4.297 8.989 1.00 0.00 C ATOM 1394 CG LYS A 96 0.851 5.267 9.323 1.00 0.00 C ATOM 1395 CD LYS A 96 1.130 6.654 8.768 1.00 0.00 C ATOM 1396 CE LYS A 96 -0.080 7.564 8.907 1.00 0.00 C ATOM 1397 NZ LYS A 96 -0.117 8.240 10.233 1.00 0.00 N ATOM 0 H LYS A 96 0.237 2.884 7.922 1.00 0.00 H new ATOM 0 HA LYS A 96 2.091 4.807 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.852 3.397 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.924 4.745 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.089 4.893 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.729 5.325 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.979 7.093 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.410 6.577 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.062 8.315 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.991 6.980 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.957 8.851 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.160 7.524 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.740 8.817 10.352 1.00 0.00 H new ATOM 1411 N ILE A 97 4.012 3.411 6.216 1.00 0.00 N ATOM 1412 CA ILE A 97 5.219 2.676 5.857 1.00 0.00 C ATOM 1413 C ILE A 97 6.472 3.471 6.211 1.00 0.00 C ATOM 1414 O ILE A 97 6.576 4.657 5.897 1.00 0.00 O ATOM 1415 CB ILE A 97 5.247 2.337 4.356 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.109 3.611 3.520 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.139 1.351 4.015 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.270 3.380 2.034 1.00 0.00 C ATOM 0 H ILE A 97 3.812 4.212 5.617 1.00 0.00 H new ATOM 0 HA ILE A 97 5.205 1.749 6.430 1.00 0.00 H new ATOM 0 HB ILE A 97 6.205 1.873 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.131 4.054 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.855 4.335 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.172 1.121 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.278 0.435 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.172 1.790 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.160 4.326 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.258 2.966 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.508 2.681 1.690 1.00 0.00 H new ATOM 1430 N ARG A 98 7.421 2.808 6.864 1.00 0.00 N ATOM 1431 CA ARG A 98 8.668 3.452 7.260 1.00 0.00 C ATOM 1432 C ARG A 98 9.660 3.474 6.100 1.00 0.00 C ATOM 1433 O ARG A 98 9.936 2.444 5.486 1.00 0.00 O ATOM 1434 CB ARG A 98 9.283 2.728 8.458 1.00 0.00 C ATOM 1435 CG ARG A 98 10.365 3.528 9.164 1.00 0.00 C ATOM 1436 CD ARG A 98 10.733 2.908 10.503 1.00 0.00 C ATOM 1437 NE ARG A 98 12.103 3.226 10.896 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.165 2.556 10.465 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.016 1.536 9.631 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.381 2.906 10.867 1.00 0.00 N ATOM 0 H ARG A 98 7.350 1.826 7.130 1.00 0.00 H new ATOM 0 HA ARG A 98 8.443 4.480 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.494 2.491 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.705 1.781 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.251 3.582 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.021 4.551 9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.044 3.265 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.614 1.826 10.446 1.00 0.00 H new ATOM 0 HE ARG A 98 12.252 4.006 11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.084 1.264 9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.834 1.023 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.500 3.691 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.196 2.390 10.535 1.00 0.00 H new ATOM 1454 N VAL A 99 10.193 4.656 5.807 1.00 0.00 N ATOM 1455 CA VAL A 99 11.155 4.813 4.722 1.00 0.00 C ATOM 1456 C VAL A 99 12.458 5.420 5.227 1.00 0.00 C ATOM 1457 O VAL A 99 12.457 6.458 5.887 1.00 0.00 O ATOM 1458 CB VAL A 99 10.591 5.698 3.595 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.594 5.820 2.459 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.268 5.141 3.092 1.00 0.00 C ATOM 0 H VAL A 99 9.975 5.519 6.306 1.00 0.00 H new ATOM 0 HA VAL A 99 11.351 3.816 4.326 1.00 0.00 H new ATOM 0 HB VAL A 99 10.410 6.695 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.178 6.449 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.515 6.268 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.810 4.830 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.884 5.779 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.420 4.133 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.550 5.112 3.912 1.00 0.00 H new