USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 35 GLN : amide:sc= -1.66 X(o=-4.1,f=-4.5) USER MOD Set 1.3: A 37 ASN : amide:sc= -2.47! C(o=-4.1!,f=-11!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.257 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=-0.19) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-2.9!) USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.855 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -123:sc= -1.9! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.669 F(o=-2.1,f=-0.67) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-1.3) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.839 F(o=-2!,f=-0.84) USER MOD Single : A 79 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-6.6!) USER MOD Single : A 80 SER OG : rot 180:sc= -2.61! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 0.855 F(o=-0.0085,f=0.85) USER MOD Single : A 89 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.0018) USER MOD Single : A 93 SER OG : rot -150:sc= -0.975 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.386 -4.294 1.218 1.00 0.00 N ATOM 102 CA ALA A 11 -13.046 -3.740 1.366 1.00 0.00 C ATOM 103 C ALA A 11 -12.298 -4.411 2.513 1.00 0.00 C ATOM 104 O ALA A 11 -11.075 -4.315 2.610 1.00 0.00 O ATOM 105 CB ALA A 11 -13.117 -2.237 1.588 1.00 0.00 C ATOM 0 HA ALA A 11 -12.496 -3.934 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.109 -1.837 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.604 -1.766 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.689 -2.029 2.492 1.00 0.00 H new ATOM 111 N ARG A 12 -13.042 -5.090 3.381 1.00 0.00 N ATOM 112 CA ARG A 12 -12.449 -5.775 4.523 1.00 0.00 C ATOM 113 C ARG A 12 -11.618 -6.972 4.068 1.00 0.00 C ATOM 114 O ARG A 12 -10.688 -7.392 4.756 1.00 0.00 O ATOM 115 CB ARG A 12 -13.540 -6.237 5.491 1.00 0.00 C ATOM 116 CG ARG A 12 -14.360 -7.406 4.971 1.00 0.00 C ATOM 117 CD ARG A 12 -15.079 -8.128 6.101 1.00 0.00 C ATOM 118 NE ARG A 12 -14.159 -8.903 6.928 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.522 -9.526 8.044 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.778 -9.465 8.463 1.00 0.00 N ATOM 121 NH2 ARG A 12 -13.627 -10.212 8.743 1.00 0.00 N ATOM 0 H ARG A 12 -14.056 -5.180 3.315 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.792 -5.072 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.078 -6.520 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.207 -5.400 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.089 -7.046 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.708 -8.105 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.600 -7.400 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.837 -8.791 5.683 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.185 -8.970 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.469 -8.939 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.054 -9.944 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.660 -10.261 8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.906 -10.690 9.600 1.00 0.00 H new ATOM 135 N ARG A 13 -11.962 -7.516 2.905 1.00 0.00 N ATOM 136 CA ARG A 13 -11.249 -8.665 2.359 1.00 0.00 C ATOM 137 C ARG A 13 -9.930 -8.235 1.724 1.00 0.00 C ATOM 138 O ARG A 13 -9.081 -9.069 1.406 1.00 0.00 O ATOM 139 CB ARG A 13 -12.116 -9.384 1.324 1.00 0.00 C ATOM 140 CG ARG A 13 -13.510 -9.722 1.825 1.00 0.00 C ATOM 141 CD ARG A 13 -14.438 -10.098 0.681 1.00 0.00 C ATOM 142 NE ARG A 13 -15.500 -11.004 1.112 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.278 -12.229 1.574 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.039 -12.693 1.665 1.00 0.00 N ATOM 145 NH2 ARG A 13 -16.297 -12.993 1.947 1.00 0.00 N ATOM 0 H ARG A 13 -12.729 -7.180 2.323 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.031 -9.349 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.200 -8.758 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.616 -10.303 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.452 -10.548 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.921 -8.868 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.881 -9.195 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.860 -10.569 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.465 -10.678 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.253 -12.108 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.872 -13.634 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.251 -12.639 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.126 -13.934 2.302 1.00 0.00 H new ATOM 159 N LEU A 14 -9.765 -6.930 1.542 1.00 0.00 N ATOM 160 CA LEU A 14 -8.549 -6.388 0.944 1.00 0.00 C ATOM 161 C LEU A 14 -7.369 -6.514 1.902 1.00 0.00 C ATOM 162 O LEU A 14 -7.410 -6.012 3.026 1.00 0.00 O ATOM 163 CB LEU A 14 -8.755 -4.922 0.560 1.00 0.00 C ATOM 164 CG LEU A 14 -9.905 -4.636 -0.406 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.021 -3.143 -0.671 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.707 -5.397 -1.710 1.00 0.00 C ATOM 0 H LEU A 14 -10.458 -6.227 1.800 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.327 -6.964 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.922 -4.349 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.832 -4.551 0.114 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.833 -4.976 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.845 -2.959 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.209 -2.621 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.092 -2.778 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.535 -5.182 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.770 -5.087 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.674 -6.467 -1.505 1.00 0.00 H new ATOM 178 N THR A 15 -6.315 -7.186 1.450 1.00 0.00 N ATOM 179 CA THR A 15 -5.122 -7.377 2.265 1.00 0.00 C ATOM 180 C THR A 15 -3.856 -7.135 1.452 1.00 0.00 C ATOM 181 O THR A 15 -3.818 -7.397 0.250 1.00 0.00 O ATOM 182 CB THR A 15 -5.071 -8.796 2.862 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.189 -9.771 1.820 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.186 -8.996 3.878 1.00 0.00 C ATOM 0 H THR A 15 -6.264 -7.608 0.523 1.00 0.00 H new ATOM 0 HA THR A 15 -5.174 -6.651 3.076 1.00 0.00 H new ATOM 0 HB THR A 15 -4.113 -8.919 3.367 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.154 -10.670 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.130 -10.005 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.077 -8.272 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.151 -8.855 3.392 1.00 0.00 H new ATOM 192 N VAL A 16 -2.819 -6.632 2.116 1.00 0.00 N ATOM 193 CA VAL A 16 -1.549 -6.356 1.455 1.00 0.00 C ATOM 194 C VAL A 16 -0.400 -7.075 2.151 1.00 0.00 C ATOM 195 O VAL A 16 -0.190 -6.917 3.355 1.00 0.00 O ATOM 196 CB VAL A 16 -1.251 -4.845 1.423 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.085 -4.579 0.745 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.373 -4.096 0.720 1.00 0.00 C ATOM 0 H VAL A 16 -2.834 -6.408 3.111 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.637 -6.724 0.433 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.190 -4.482 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.279 -3.506 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.879 -5.084 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.055 -4.955 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.146 -3.030 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.468 -4.460 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.310 -4.261 1.252 1.00 0.00 H new ATOM 208 N THR A 17 0.346 -7.867 1.387 1.00 0.00 N ATOM 209 CA THR A 17 1.475 -8.612 1.929 1.00 0.00 C ATOM 210 C THR A 17 2.791 -8.123 1.337 1.00 0.00 C ATOM 211 O THR A 17 3.651 -7.607 2.052 1.00 0.00 O ATOM 212 CB THR A 17 1.333 -10.122 1.660 1.00 0.00 C ATOM 213 OG1 THR A 17 0.091 -10.600 2.190 1.00 0.00 O ATOM 214 CG2 THR A 17 2.486 -10.893 2.284 1.00 0.00 C ATOM 0 H THR A 17 0.188 -8.009 0.389 1.00 0.00 H new ATOM 0 HA THR A 17 1.479 -8.441 3.006 1.00 0.00 H new ATOM 0 HB THR A 17 1.352 -10.280 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.008 -11.560 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.364 -11.957 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.428 -10.548 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.493 -10.728 3.361 1.00 0.00 H new ATOM 222 N SER A 18 2.943 -8.289 0.027 1.00 0.00 N ATOM 223 CA SER A 18 4.158 -7.867 -0.661 1.00 0.00 C ATOM 224 C SER A 18 4.723 -6.595 -0.035 1.00 0.00 C ATOM 225 O SER A 18 5.936 -6.454 0.126 1.00 0.00 O ATOM 226 CB SER A 18 3.874 -7.635 -2.146 1.00 0.00 C ATOM 227 OG SER A 18 5.064 -7.327 -2.851 1.00 0.00 O ATOM 0 H SER A 18 2.240 -8.713 -0.579 1.00 0.00 H new ATOM 0 HA SER A 18 4.898 -8.661 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.414 -8.525 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.159 -6.820 -2.260 1.00 0.00 H new ATOM 0 HG SER A 18 4.886 -7.342 -3.815 1.00 0.00 H new ATOM 233 N LEU A 19 3.835 -5.671 0.316 1.00 0.00 N ATOM 234 CA LEU A 19 4.243 -4.410 0.924 1.00 0.00 C ATOM 235 C LEU A 19 5.197 -4.651 2.091 1.00 0.00 C ATOM 236 O LEU A 19 5.029 -5.602 2.854 1.00 0.00 O ATOM 237 CB LEU A 19 3.017 -3.633 1.406 1.00 0.00 C ATOM 238 CG LEU A 19 3.295 -2.438 2.319 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.699 -1.222 1.500 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.076 -2.126 3.175 1.00 0.00 C ATOM 0 H LEU A 19 2.828 -5.772 0.190 1.00 0.00 H new ATOM 0 HA LEU A 19 4.764 -3.823 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.471 -3.278 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.359 -4.323 1.934 1.00 0.00 H new ATOM 0 HG LEU A 19 4.122 -2.696 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.893 -0.382 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.601 -1.449 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.893 -0.962 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.292 -1.273 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.230 -1.889 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.832 -2.992 3.790 1.00 0.00 H new ATOM 252 N GLN A 20 6.194 -3.783 2.222 1.00 0.00 N ATOM 253 CA GLN A 20 7.173 -3.902 3.297 1.00 0.00 C ATOM 254 C GLN A 20 6.942 -2.837 4.363 1.00 0.00 C ATOM 255 O GLN A 20 7.314 -1.677 4.185 1.00 0.00 O ATOM 256 CB GLN A 20 8.592 -3.783 2.738 1.00 0.00 C ATOM 257 CG GLN A 20 9.651 -4.413 3.628 1.00 0.00 C ATOM 258 CD GLN A 20 9.804 -5.902 3.387 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.203 -6.720 4.085 1.00 0.00 O ATOM 260 NE2 GLN A 20 10.611 -6.262 2.397 1.00 0.00 N ATOM 0 H GLN A 20 6.346 -2.990 1.598 1.00 0.00 H new ATOM 0 HA GLN A 20 7.053 -4.883 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.627 -4.254 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.830 -2.729 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.607 -3.920 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.391 -4.243 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.089 -5.550 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.753 -7.250 2.189 1.00 0.00 H new ATOM 269 N GLU A 21 6.326 -3.238 5.471 1.00 0.00 N ATOM 270 CA GLU A 21 6.046 -2.316 6.565 1.00 0.00 C ATOM 271 C GLU A 21 7.211 -1.354 6.779 1.00 0.00 C ATOM 272 O GLU A 21 7.024 -0.139 6.848 1.00 0.00 O ATOM 273 CB GLU A 21 5.766 -3.091 7.855 1.00 0.00 C ATOM 274 CG GLU A 21 4.338 -3.598 7.963 1.00 0.00 C ATOM 275 CD GLU A 21 4.136 -4.524 9.147 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.517 -4.139 10.272 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.597 -5.632 8.948 1.00 0.00 O ATOM 0 H GLU A 21 6.012 -4.195 5.634 1.00 0.00 H new ATOM 0 HA GLU A 21 5.163 -1.735 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.449 -3.938 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.980 -2.448 8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.660 -2.749 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.073 -4.124 7.046 1.00 0.00 H new ATOM 284 N THR A 22 8.415 -1.907 6.883 1.00 0.00 N ATOM 285 CA THR A 22 9.611 -1.100 7.090 1.00 0.00 C ATOM 286 C THR A 22 10.804 -1.681 6.339 1.00 0.00 C ATOM 287 O THR A 22 10.813 -2.859 5.985 1.00 0.00 O ATOM 288 CB THR A 22 9.964 -0.993 8.586 1.00 0.00 C ATOM 289 OG1 THR A 22 11.371 -0.777 8.743 1.00 0.00 O ATOM 290 CG2 THR A 22 9.552 -2.254 9.331 1.00 0.00 C ATOM 0 H THR A 22 8.588 -2.911 6.827 1.00 0.00 H new ATOM 0 HA THR A 22 9.391 -0.105 6.703 1.00 0.00 H new ATOM 0 HB THR A 22 9.418 -0.148 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.587 -0.708 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.811 -2.155 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.476 -2.399 9.234 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.073 -3.113 8.908 1.00 0.00 H new ATOM 298 N GLY A 23 11.810 -0.846 6.099 1.00 0.00 N ATOM 299 CA GLY A 23 12.995 -1.296 5.392 1.00 0.00 C ATOM 300 C GLY A 23 13.231 -0.525 4.108 1.00 0.00 C ATOM 301 O GLY A 23 14.375 -0.262 3.735 1.00 0.00 O ATOM 0 H GLY A 23 11.826 0.134 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.864 -1.190 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.897 -2.357 5.162 1.00 0.00 H new ATOM 305 N LEU A 24 12.148 -0.162 3.430 1.00 0.00 N ATOM 306 CA LEU A 24 12.242 0.582 2.179 1.00 0.00 C ATOM 307 C LEU A 24 13.064 1.854 2.363 1.00 0.00 C ATOM 308 O LEU A 24 12.711 2.725 3.158 1.00 0.00 O ATOM 309 CB LEU A 24 10.845 0.934 1.665 1.00 0.00 C ATOM 310 CG LEU A 24 9.882 -0.240 1.481 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.479 0.263 1.180 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.370 -1.160 0.371 1.00 0.00 C ATOM 0 H LEU A 24 11.194 -0.371 3.726 1.00 0.00 H new ATOM 0 HA LEU A 24 12.743 -0.050 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.393 1.644 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.950 1.445 0.708 1.00 0.00 H new ATOM 0 HG LEU A 24 9.850 -0.809 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.808 -0.586 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.129 0.881 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.493 0.855 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.673 -1.990 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.431 -0.602 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.356 -1.548 0.627 1.00 0.00 H new ATOM 324 N LYS A 25 14.162 1.955 1.621 1.00 0.00 N ATOM 325 CA LYS A 25 15.033 3.122 1.698 1.00 0.00 C ATOM 326 C LYS A 25 14.490 4.264 0.846 1.00 0.00 C ATOM 327 O LYS A 25 13.501 4.103 0.131 1.00 0.00 O ATOM 328 CB LYS A 25 16.448 2.759 1.241 1.00 0.00 C ATOM 329 CG LYS A 25 17.348 2.282 2.368 1.00 0.00 C ATOM 330 CD LYS A 25 18.396 1.303 1.868 1.00 0.00 C ATOM 331 CE LYS A 25 19.569 2.023 1.221 1.00 0.00 C ATOM 332 NZ LYS A 25 20.573 1.069 0.675 1.00 0.00 N ATOM 0 H LYS A 25 14.470 1.242 0.959 1.00 0.00 H new ATOM 0 HA LYS A 25 15.066 3.451 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.387 1.979 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.903 3.630 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.840 3.138 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.744 1.807 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.754 0.696 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.944 0.621 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.204 2.664 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.046 2.672 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.356 1.599 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.941 0.474 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.124 0.467 -0.044 1.00 0.00 H new ATOM 346 N VAL A 26 15.143 5.419 0.927 1.00 0.00 N ATOM 347 CA VAL A 26 14.727 6.588 0.161 1.00 0.00 C ATOM 348 C VAL A 26 15.043 6.416 -1.320 1.00 0.00 C ATOM 349 O VAL A 26 16.038 5.790 -1.684 1.00 0.00 O ATOM 350 CB VAL A 26 15.410 7.869 0.676 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.854 7.931 0.202 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.640 9.101 0.227 1.00 0.00 C ATOM 0 H VAL A 26 15.962 5.570 1.515 1.00 0.00 H new ATOM 0 HA VAL A 26 13.649 6.683 0.290 1.00 0.00 H new ATOM 0 HB VAL A 26 15.411 7.847 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.321 8.843 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.398 7.065 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.880 7.930 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.137 9.997 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.606 9.132 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.625 9.059 0.621 1.00 0.00 H new ATOM 362 N ASN A 27 14.190 6.977 -2.171 1.00 0.00 N ATOM 363 CA ASN A 27 14.379 6.886 -3.614 1.00 0.00 C ATOM 364 C ASN A 27 14.500 5.430 -4.056 1.00 0.00 C ATOM 365 O ASN A 27 15.418 5.070 -4.793 1.00 0.00 O ATOM 366 CB ASN A 27 15.627 7.664 -4.036 1.00 0.00 C ATOM 367 CG ASN A 27 15.565 9.122 -3.624 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.426 9.608 -2.891 1.00 0.00 O ATOM 369 ND2 ASN A 27 14.543 9.828 -4.095 1.00 0.00 N ATOM 0 H ASN A 27 13.361 7.499 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 27 13.506 7.323 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.508 7.201 -3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.744 7.599 -5.118 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.449 10.814 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.852 9.384 -4.700 1.00 0.00 H new ATOM 376 N GLN A 28 13.568 4.600 -3.601 1.00 0.00 N ATOM 377 CA GLN A 28 13.571 3.184 -3.949 1.00 0.00 C ATOM 378 C GLN A 28 12.221 2.761 -4.520 1.00 0.00 C ATOM 379 O GLN A 28 11.163 3.179 -4.050 1.00 0.00 O ATOM 380 CB GLN A 28 13.907 2.336 -2.722 1.00 0.00 C ATOM 381 CG GLN A 28 15.347 2.483 -2.256 1.00 0.00 C ATOM 382 CD GLN A 28 16.279 1.489 -2.919 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.950 1.808 -3.901 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.327 0.274 -2.384 1.00 0.00 N ATOM 0 H GLN A 28 12.801 4.883 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 28 14.334 3.025 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.240 2.613 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.713 1.288 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.692 3.495 -2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.390 2.351 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.754 0.052 -1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.937 -0.437 -2.787 1.00 0.00 H new ATOM 393 N PRO A 29 12.257 1.912 -5.557 1.00 0.00 N ATOM 394 CA PRO A 29 11.045 1.413 -6.214 1.00 0.00 C ATOM 395 C PRO A 29 10.259 0.453 -5.329 1.00 0.00 C ATOM 396 O PRO A 29 10.508 -0.752 -5.329 1.00 0.00 O ATOM 397 CB PRO A 29 11.584 0.684 -7.447 1.00 0.00 C ATOM 398 CG PRO A 29 12.972 0.288 -7.076 1.00 0.00 C ATOM 399 CD PRO A 29 13.483 1.372 -6.168 1.00 0.00 C ATOM 0 HA PRO A 29 10.348 2.218 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.975 -0.187 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.578 1.331 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.981 -0.679 -6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.600 0.192 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.166 0.977 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.026 2.137 -6.722 1.00 0.00 H new ATOM 407 N ALA A 30 9.307 0.994 -4.575 1.00 0.00 N ATOM 408 CA ALA A 30 8.483 0.185 -3.687 1.00 0.00 C ATOM 409 C ALA A 30 7.142 -0.148 -4.333 1.00 0.00 C ATOM 410 O ALA A 30 6.349 0.744 -4.635 1.00 0.00 O ATOM 411 CB ALA A 30 8.269 0.904 -2.364 1.00 0.00 C ATOM 0 H ALA A 30 9.088 1.990 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 30 9.008 -0.751 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.652 0.288 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.233 1.085 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.769 1.856 -2.544 1.00 0.00 H new ATOM 417 N SER A 31 6.896 -1.437 -4.545 1.00 0.00 N ATOM 418 CA SER A 31 5.653 -1.886 -5.160 1.00 0.00 C ATOM 419 C SER A 31 5.138 -3.153 -4.482 1.00 0.00 C ATOM 420 O SER A 31 5.917 -3.958 -3.972 1.00 0.00 O ATOM 421 CB SER A 31 5.862 -2.143 -6.654 1.00 0.00 C ATOM 422 OG SER A 31 6.976 -2.992 -6.874 1.00 0.00 O ATOM 0 H SER A 31 7.541 -2.188 -4.300 1.00 0.00 H new ATOM 0 HA SER A 31 4.909 -1.099 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.966 -2.597 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.015 -1.196 -7.171 1.00 0.00 H new ATOM 0 HG SER A 31 7.088 -3.143 -7.836 1.00 0.00 H new ATOM 428 N PHE A 32 3.820 -3.321 -4.481 1.00 0.00 N ATOM 429 CA PHE A 32 3.199 -4.489 -3.865 1.00 0.00 C ATOM 430 C PHE A 32 1.890 -4.842 -4.566 1.00 0.00 C ATOM 431 O PHE A 32 1.457 -4.144 -5.483 1.00 0.00 O ATOM 432 CB PHE A 32 2.942 -4.231 -2.379 1.00 0.00 C ATOM 433 CG PHE A 32 2.691 -2.786 -2.056 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.729 -1.868 -2.075 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.418 -2.345 -1.732 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.502 -0.538 -1.777 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.185 -1.015 -1.434 1.00 0.00 C ATOM 438 CZ PHE A 32 2.228 -0.111 -1.457 1.00 0.00 C ATOM 0 H PHE A 32 3.161 -2.664 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 32 3.884 -5.331 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.083 -4.821 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.800 -4.580 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.727 -2.196 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.598 -3.048 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.320 0.167 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.188 -0.684 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.048 0.928 -1.225 1.00 0.00 H new ATOM 448 N ALA A 33 1.267 -5.930 -4.128 1.00 0.00 N ATOM 449 CA ALA A 33 0.007 -6.376 -4.711 1.00 0.00 C ATOM 450 C ALA A 33 -1.093 -6.442 -3.657 1.00 0.00 C ATOM 451 O ALA A 33 -0.916 -7.043 -2.597 1.00 0.00 O ATOM 452 CB ALA A 33 0.185 -7.733 -5.377 1.00 0.00 C ATOM 0 H ALA A 33 1.614 -6.520 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.293 -5.649 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.763 -8.054 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.934 -7.656 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.512 -8.462 -4.636 1.00 0.00 H new ATOM 458 N VAL A 34 -2.229 -5.820 -3.955 1.00 0.00 N ATOM 459 CA VAL A 34 -3.359 -5.809 -3.033 1.00 0.00 C ATOM 460 C VAL A 34 -4.423 -6.815 -3.455 1.00 0.00 C ATOM 461 O VAL A 34 -5.167 -6.584 -4.408 1.00 0.00 O ATOM 462 CB VAL A 34 -3.997 -4.410 -2.945 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.198 -4.429 -2.012 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.971 -3.384 -2.486 1.00 0.00 C ATOM 0 H VAL A 34 -2.392 -5.317 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.971 -6.086 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.343 -4.124 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.636 -3.432 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.940 -5.133 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.880 -4.736 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.439 -2.401 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.593 -3.663 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.145 -3.352 -3.197 1.00 0.00 H new ATOM 474 N GLN A 35 -4.490 -7.933 -2.739 1.00 0.00 N ATOM 475 CA GLN A 35 -5.464 -8.976 -3.041 1.00 0.00 C ATOM 476 C GLN A 35 -6.870 -8.536 -2.648 1.00 0.00 C ATOM 477 O GLN A 35 -7.068 -7.908 -1.607 1.00 0.00 O ATOM 478 CB GLN A 35 -5.099 -10.270 -2.311 1.00 0.00 C ATOM 479 CG GLN A 35 -5.954 -11.459 -2.718 1.00 0.00 C ATOM 480 CD GLN A 35 -5.390 -12.778 -2.228 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.710 -12.833 -1.202 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.669 -13.851 -2.960 1.00 0.00 N ATOM 0 H GLN A 35 -3.882 -8.140 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.446 -9.156 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.052 -10.503 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.198 -10.112 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.961 -11.330 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.039 -11.486 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.236 -13.760 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.316 -14.766 -2.679 1.00 0.00 H new ATOM 491 N LEU A 36 -7.844 -8.870 -3.488 1.00 0.00 N ATOM 492 CA LEU A 36 -9.234 -8.510 -3.229 1.00 0.00 C ATOM 493 C LEU A 36 -9.959 -9.629 -2.489 1.00 0.00 C ATOM 494 O LEU A 36 -10.836 -9.376 -1.664 1.00 0.00 O ATOM 495 CB LEU A 36 -9.955 -8.202 -4.543 1.00 0.00 C ATOM 496 CG LEU A 36 -9.131 -7.474 -5.606 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.775 -7.624 -6.975 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.975 -6.004 -5.245 1.00 0.00 C ATOM 0 H LEU A 36 -7.697 -9.389 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.241 -7.620 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.311 -9.141 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.835 -7.600 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.139 -7.925 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.175 -7.100 -7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.834 -8.681 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.779 -7.199 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.386 -5.501 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.959 -5.539 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.468 -5.917 -4.284 1.00 0.00 H new ATOM 510 N ASN A 37 -9.583 -10.869 -2.788 1.00 0.00 N ATOM 511 CA ASN A 37 -10.196 -12.028 -2.149 1.00 0.00 C ATOM 512 C ASN A 37 -11.715 -11.987 -2.291 1.00 0.00 C ATOM 513 O ASN A 37 -12.445 -12.236 -1.333 1.00 0.00 O ATOM 514 CB ASN A 37 -9.812 -12.084 -0.669 1.00 0.00 C ATOM 515 CG ASN A 37 -8.310 -12.122 -0.463 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.654 -13.114 -0.782 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.759 -11.040 0.073 1.00 0.00 N ATOM 0 H ASN A 37 -8.858 -11.096 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.826 -12.924 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.225 -11.215 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.261 -12.966 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.753 -11.008 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.342 -10.241 0.322 1.00 0.00 H new ATOM 524 N GLY A 38 -12.183 -11.672 -3.495 1.00 0.00 N ATOM 525 CA GLY A 38 -13.612 -11.606 -3.740 1.00 0.00 C ATOM 526 C GLY A 38 -14.079 -10.201 -4.066 1.00 0.00 C ATOM 527 O GLY A 38 -14.964 -10.012 -4.900 1.00 0.00 O ATOM 0 H GLY A 38 -11.599 -11.462 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.867 -12.271 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.146 -11.968 -2.861 1.00 0.00 H new ATOM 531 N ALA A 39 -13.485 -9.213 -3.405 1.00 0.00 N ATOM 532 CA ALA A 39 -13.845 -7.819 -3.629 1.00 0.00 C ATOM 533 C ALA A 39 -13.709 -7.446 -5.102 1.00 0.00 C ATOM 534 O ALA A 39 -12.773 -7.875 -5.776 1.00 0.00 O ATOM 535 CB ALA A 39 -12.982 -6.906 -2.770 1.00 0.00 C ATOM 0 H ALA A 39 -12.752 -9.353 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.889 -7.689 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.262 -5.868 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.132 -7.147 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.933 -7.048 -3.028 1.00 0.00 H new ATOM 541 N ARG A 40 -14.650 -6.647 -5.594 1.00 0.00 N ATOM 542 CA ARG A 40 -14.636 -6.219 -6.988 1.00 0.00 C ATOM 543 C ARG A 40 -14.844 -4.711 -7.096 1.00 0.00 C ATOM 544 O ARG A 40 -15.959 -4.215 -6.935 1.00 0.00 O ATOM 545 CB ARG A 40 -15.719 -6.952 -7.780 1.00 0.00 C ATOM 546 CG ARG A 40 -15.555 -8.463 -7.782 1.00 0.00 C ATOM 547 CD ARG A 40 -14.654 -8.924 -8.917 1.00 0.00 C ATOM 548 NE ARG A 40 -15.199 -8.574 -10.226 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.601 -8.870 -11.374 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.445 -9.518 -11.376 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.160 -8.517 -12.525 1.00 0.00 N ATOM 0 H ARG A 40 -15.431 -6.283 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.660 -6.465 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.694 -6.702 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.711 -6.593 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.136 -8.786 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.532 -8.936 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.668 -8.474 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.520 -10.004 -8.857 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.088 -8.075 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.012 -9.791 -10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.988 -9.744 -12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.050 -8.018 -12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.700 -8.745 -13.406 1.00 0.00 H new ATOM 565 N GLY A 41 -13.763 -3.987 -7.369 1.00 0.00 N ATOM 566 CA GLY A 41 -13.849 -2.544 -7.493 1.00 0.00 C ATOM 567 C GLY A 41 -12.554 -1.926 -7.982 1.00 0.00 C ATOM 568 O GLY A 41 -11.665 -2.629 -8.464 1.00 0.00 O ATOM 0 H GLY A 41 -12.829 -4.374 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.653 -2.289 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.111 -2.114 -6.526 1.00 0.00 H new ATOM 572 N VAL A 42 -12.447 -0.606 -7.861 1.00 0.00 N ATOM 573 CA VAL A 42 -11.251 0.106 -8.295 1.00 0.00 C ATOM 574 C VAL A 42 -10.412 0.551 -7.102 1.00 0.00 C ATOM 575 O VAL A 42 -10.884 1.294 -6.241 1.00 0.00 O ATOM 576 CB VAL A 42 -11.611 1.341 -9.144 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.353 2.089 -9.558 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.423 0.930 -10.363 1.00 0.00 C ATOM 0 H VAL A 42 -13.174 -0.009 -7.466 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.672 -0.589 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.221 2.012 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.627 2.958 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.815 2.416 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.715 1.430 -10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.669 1.814 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.840 0.239 -10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.343 0.442 -10.040 1.00 0.00 H new ATOM 588 N ILE A 43 -9.166 0.091 -7.058 1.00 0.00 N ATOM 589 CA ILE A 43 -8.261 0.442 -5.972 1.00 0.00 C ATOM 590 C ILE A 43 -7.501 1.727 -6.283 1.00 0.00 C ATOM 591 O ILE A 43 -6.945 1.884 -7.370 1.00 0.00 O ATOM 592 CB ILE A 43 -7.249 -0.685 -5.695 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.976 -1.955 -5.248 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.242 -0.247 -4.642 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.284 -1.986 -3.768 1.00 0.00 C ATOM 0 H ILE A 43 -8.761 -0.526 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.877 0.592 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.710 -0.903 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.908 -2.046 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.366 -2.822 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.534 -1.055 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.705 0.633 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.765 -0.005 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.799 -2.915 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.355 -1.927 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.920 -1.139 -3.511 1.00 0.00 H new ATOM 607 N ASP A 44 -7.480 2.643 -5.321 1.00 0.00 N ATOM 608 CA ASP A 44 -6.785 3.914 -5.491 1.00 0.00 C ATOM 609 C ASP A 44 -5.631 4.040 -4.501 1.00 0.00 C ATOM 610 O ASP A 44 -5.839 4.042 -3.288 1.00 0.00 O ATOM 611 CB ASP A 44 -7.759 5.080 -5.309 1.00 0.00 C ATOM 612 CG ASP A 44 -9.026 4.908 -6.123 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.006 5.233 -7.328 1.00 0.00 O ATOM 614 OD2 ASP A 44 -10.039 4.450 -5.553 1.00 0.00 O ATOM 0 H ASP A 44 -7.936 2.529 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.377 3.945 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.018 5.172 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.268 6.009 -5.599 1.00 0.00 H new ATOM 619 N ALA A 45 -4.415 4.143 -5.027 1.00 0.00 N ATOM 620 CA ALA A 45 -3.229 4.269 -4.190 1.00 0.00 C ATOM 621 C ALA A 45 -2.597 5.649 -4.337 1.00 0.00 C ATOM 622 O ALA A 45 -2.358 6.117 -5.451 1.00 0.00 O ATOM 623 CB ALA A 45 -2.220 3.185 -4.537 1.00 0.00 C ATOM 0 H ALA A 45 -4.226 4.142 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.534 4.147 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.339 3.292 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.668 2.205 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.929 3.281 -5.583 1.00 0.00 H new ATOM 629 N ARG A 46 -2.331 6.297 -3.208 1.00 0.00 N ATOM 630 CA ARG A 46 -1.729 7.625 -3.212 1.00 0.00 C ATOM 631 C ARG A 46 -0.855 7.829 -1.978 1.00 0.00 C ATOM 632 O ARG A 46 -1.259 7.514 -0.859 1.00 0.00 O ATOM 633 CB ARG A 46 -2.816 8.700 -3.264 1.00 0.00 C ATOM 634 CG ARG A 46 -3.475 8.834 -4.627 1.00 0.00 C ATOM 635 CD ARG A 46 -4.051 10.226 -4.833 1.00 0.00 C ATOM 636 NE ARG A 46 -3.032 11.183 -5.258 1.00 0.00 N ATOM 637 CZ ARG A 46 -3.312 12.378 -5.766 1.00 0.00 C ATOM 638 NH1 ARG A 46 -4.573 12.761 -5.911 1.00 0.00 N ATOM 639 NH2 ARG A 46 -2.330 13.192 -6.130 1.00 0.00 N ATOM 0 H ARG A 46 -2.523 5.924 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.101 7.710 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.580 8.469 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.380 9.659 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.745 8.622 -5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.268 8.093 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.843 10.184 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.507 10.571 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.052 10.919 -5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.331 12.138 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.785 13.679 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.359 12.901 -6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.546 14.109 -6.520 1.00 0.00 H new ATOM 653 N VAL A 47 0.346 8.358 -2.191 1.00 0.00 N ATOM 654 CA VAL A 47 1.277 8.606 -1.097 1.00 0.00 C ATOM 655 C VAL A 47 1.376 10.095 -0.785 1.00 0.00 C ATOM 656 O VAL A 47 1.353 10.932 -1.688 1.00 0.00 O ATOM 657 CB VAL A 47 2.683 8.067 -1.424 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.653 6.554 -1.577 1.00 0.00 C ATOM 659 CG2 VAL A 47 3.227 8.728 -2.682 1.00 0.00 C ATOM 0 H VAL A 47 0.697 8.623 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 47 0.887 8.081 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 47 3.349 8.311 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.655 6.192 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.308 6.101 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.974 6.283 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.221 8.336 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.563 8.517 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.288 9.806 -2.530 1.00 0.00 H new ATOM 669 N HIS A 48 1.485 10.418 0.500 1.00 0.00 N ATOM 670 CA HIS A 48 1.588 11.808 0.932 1.00 0.00 C ATOM 671 C HIS A 48 2.983 12.106 1.474 1.00 0.00 C ATOM 672 O HIS A 48 3.478 11.411 2.361 1.00 0.00 O ATOM 673 CB HIS A 48 0.538 12.111 2.000 1.00 0.00 C ATOM 674 CG HIS A 48 -0.871 12.003 1.503 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.570 13.073 0.984 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.711 10.943 1.446 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.779 12.676 0.631 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.890 11.388 0.900 1.00 0.00 N ATOM 0 H HIS A 48 1.504 9.737 1.259 1.00 0.00 H new ATOM 0 HA HIS A 48 1.409 12.446 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.673 11.424 2.836 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.703 13.118 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.494 9.936 1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.547 13.299 0.196 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.717 10.816 0.730 1.00 0.00 H new ATOM 687 N THR A 49 3.613 13.144 0.933 1.00 0.00 N ATOM 688 CA THR A 49 4.951 13.534 1.361 1.00 0.00 C ATOM 689 C THR A 49 4.917 14.207 2.728 1.00 0.00 C ATOM 690 O THR A 49 3.912 14.789 3.135 1.00 0.00 O ATOM 691 CB THR A 49 5.609 14.488 0.347 1.00 0.00 C ATOM 692 OG1 THR A 49 4.677 15.501 -0.049 1.00 0.00 O ATOM 693 CG2 THR A 49 6.091 13.728 -0.879 1.00 0.00 C ATOM 0 H THR A 49 3.218 13.730 0.197 1.00 0.00 H new ATOM 0 HA THR A 49 5.542 12.620 1.424 1.00 0.00 H new ATOM 0 HB THR A 49 6.470 14.954 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.083 15.146 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.552 14.424 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.823 12.978 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.244 13.237 -1.359 1.00 0.00 H new ATOM 701 N PRO A 50 6.041 14.128 3.455 1.00 0.00 N ATOM 702 CA PRO A 50 6.166 14.726 4.788 1.00 0.00 C ATOM 703 C PRO A 50 6.187 16.250 4.740 1.00 0.00 C ATOM 704 O PRO A 50 6.258 16.912 5.775 1.00 0.00 O ATOM 705 CB PRO A 50 7.506 14.188 5.294 1.00 0.00 C ATOM 706 CG PRO A 50 8.285 13.887 4.060 1.00 0.00 C ATOM 707 CD PRO A 50 7.278 13.450 3.032 1.00 0.00 C ATOM 0 HA PRO A 50 5.321 14.474 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.018 14.922 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.369 13.295 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.833 14.766 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.020 13.104 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.575 13.748 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.159 12.367 3.022 1.00 0.00 H new ATOM 715 N SER A 51 6.125 16.800 3.531 1.00 0.00 N ATOM 716 CA SER A 51 6.141 18.247 3.349 1.00 0.00 C ATOM 717 C SER A 51 4.724 18.811 3.360 1.00 0.00 C ATOM 718 O SER A 51 4.308 19.455 4.322 1.00 0.00 O ATOM 719 CB SER A 51 6.836 18.609 2.034 1.00 0.00 C ATOM 720 OG SER A 51 7.005 20.011 1.916 1.00 0.00 O ATOM 0 H SER A 51 6.063 16.266 2.664 1.00 0.00 H new ATOM 0 HA SER A 51 6.695 18.687 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.807 18.117 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.248 18.238 1.194 1.00 0.00 H new ATOM 0 HG SER A 51 7.453 20.216 1.069 1.00 0.00 H new ATOM 726 N GLY A 52 3.986 18.564 2.282 1.00 0.00 N ATOM 727 CA GLY A 52 2.624 19.055 2.187 1.00 0.00 C ATOM 728 C GLY A 52 2.069 18.958 0.779 1.00 0.00 C ATOM 729 O GLY A 52 1.256 19.784 0.367 1.00 0.00 O ATOM 0 H GLY A 52 4.307 18.033 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.988 18.486 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.592 20.094 2.516 1.00 0.00 H new ATOM 733 N ALA A 53 2.512 17.947 0.039 1.00 0.00 N ATOM 734 CA ALA A 53 2.055 17.745 -1.330 1.00 0.00 C ATOM 735 C ALA A 53 1.554 16.320 -1.538 1.00 0.00 C ATOM 736 O ALA A 53 2.220 15.356 -1.161 1.00 0.00 O ATOM 737 CB ALA A 53 3.173 18.062 -2.312 1.00 0.00 C ATOM 0 H ALA A 53 3.187 17.255 0.365 1.00 0.00 H new ATOM 0 HA ALA A 53 1.222 18.425 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.817 17.907 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.481 19.100 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.022 17.406 -2.120 1.00 0.00 H new ATOM 743 N VAL A 54 0.375 16.194 -2.139 1.00 0.00 N ATOM 744 CA VAL A 54 -0.215 14.885 -2.397 1.00 0.00 C ATOM 745 C VAL A 54 0.359 14.264 -3.666 1.00 0.00 C ATOM 746 O VAL A 54 0.151 14.774 -4.766 1.00 0.00 O ATOM 747 CB VAL A 54 -1.747 14.977 -2.531 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.334 13.620 -2.885 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.362 15.515 -1.247 1.00 0.00 C ATOM 0 H VAL A 54 -0.190 16.982 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 54 0.031 14.253 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.983 15.670 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.417 13.704 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.916 13.279 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.090 12.903 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.445 15.574 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.118 14.848 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.964 16.509 -1.042 1.00 0.00 H new ATOM 759 N GLU A 55 1.080 13.160 -3.503 1.00 0.00 N ATOM 760 CA GLU A 55 1.684 12.469 -4.637 1.00 0.00 C ATOM 761 C GLU A 55 0.734 11.418 -5.203 1.00 0.00 C ATOM 762 O GLU A 55 -0.328 11.159 -4.638 1.00 0.00 O ATOM 763 CB GLU A 55 3.000 11.810 -4.219 1.00 0.00 C ATOM 764 CG GLU A 55 4.214 12.707 -4.398 1.00 0.00 C ATOM 765 CD GLU A 55 4.248 13.848 -3.400 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.539 13.763 -2.376 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.986 14.826 -3.643 1.00 0.00 O ATOM 0 H GLU A 55 1.260 12.725 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 55 1.886 13.207 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.931 11.511 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.142 10.900 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.120 12.111 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.215 13.114 -5.409 1.00 0.00 H new ATOM 774 N GLU A 56 1.124 10.817 -6.323 1.00 0.00 N ATOM 775 CA GLU A 56 0.306 9.796 -6.966 1.00 0.00 C ATOM 776 C GLU A 56 1.120 8.532 -7.226 1.00 0.00 C ATOM 777 O GLU A 56 2.317 8.598 -7.507 1.00 0.00 O ATOM 778 CB GLU A 56 -0.270 10.325 -8.281 1.00 0.00 C ATOM 779 CG GLU A 56 -1.450 11.263 -8.095 1.00 0.00 C ATOM 780 CD GLU A 56 -2.329 11.347 -9.328 1.00 0.00 C ATOM 781 OE1 GLU A 56 -3.208 10.475 -9.489 1.00 0.00 O ATOM 782 OE2 GLU A 56 -2.137 12.283 -10.131 1.00 0.00 O ATOM 0 H GLU A 56 2.001 11.020 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.515 9.547 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.515 10.847 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.581 9.481 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.048 10.925 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.082 12.259 -7.847 1.00 0.00 H new ATOM 789 N CYS A 57 0.462 7.382 -7.131 1.00 0.00 N ATOM 790 CA CYS A 57 1.124 6.101 -7.355 1.00 0.00 C ATOM 791 C CYS A 57 0.699 5.495 -8.689 1.00 0.00 C ATOM 792 O CYS A 57 -0.101 6.079 -9.420 1.00 0.00 O ATOM 793 CB CYS A 57 0.804 5.132 -6.216 1.00 0.00 C ATOM 794 SG CYS A 57 0.944 5.860 -4.567 1.00 0.00 S ATOM 0 H CYS A 57 -0.529 7.310 -6.900 1.00 0.00 H new ATOM 0 HA CYS A 57 2.200 6.276 -7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.209 4.753 -6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.476 4.276 -6.282 1.00 0.00 H new ATOM 0 HG CYS A 57 1.785 5.168 -3.857 1.00 0.00 H new ATOM 800 N TYR A 58 1.240 4.323 -8.999 1.00 0.00 N ATOM 801 CA TYR A 58 0.920 3.639 -10.247 1.00 0.00 C ATOM 802 C TYR A 58 0.098 2.382 -9.984 1.00 0.00 C ATOM 803 O TYR A 58 0.629 1.356 -9.557 1.00 0.00 O ATOM 804 CB TYR A 58 2.203 3.276 -10.997 1.00 0.00 C ATOM 805 CG TYR A 58 1.968 2.407 -12.212 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.398 2.931 -13.366 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.317 1.062 -12.206 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.181 2.140 -14.477 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.106 0.264 -13.314 1.00 0.00 C ATOM 810 CZ TYR A 58 1.537 0.808 -14.447 1.00 0.00 C ATOM 811 OH TYR A 58 1.324 0.017 -15.553 1.00 0.00 O ATOM 0 H TYR A 58 1.902 3.826 -8.404 1.00 0.00 H new ATOM 0 HA TYR A 58 0.327 4.316 -10.862 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.704 4.193 -11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.878 2.759 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.120 3.974 -13.394 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.761 0.633 -11.320 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.735 2.562 -15.365 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.385 -0.779 -13.293 1.00 0.00 H new ATOM 0 HH TYR A 58 1.631 -0.895 -15.367 1.00 0.00 H new ATOM 821 N VAL A 59 -1.203 2.468 -10.242 1.00 0.00 N ATOM 822 CA VAL A 59 -2.101 1.338 -10.035 1.00 0.00 C ATOM 823 C VAL A 59 -2.892 1.027 -11.301 1.00 0.00 C ATOM 824 O VAL A 59 -3.804 1.766 -11.672 1.00 0.00 O ATOM 825 CB VAL A 59 -3.084 1.606 -8.880 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.581 3.042 -8.924 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.248 0.628 -8.935 1.00 0.00 C ATOM 0 H VAL A 59 -1.659 3.309 -10.595 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.478 0.481 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.559 1.458 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.274 3.212 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.735 3.723 -8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.091 3.222 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.933 0.831 -8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.775 0.742 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.871 -0.391 -8.850 1.00 0.00 H new ATOM 917 N LYS A 66 -6.679 -8.409 -9.409 1.00 0.00 N ATOM 918 CA LYS A 66 -5.656 -7.861 -8.526 1.00 0.00 C ATOM 919 C LYS A 66 -5.198 -6.489 -9.010 1.00 0.00 C ATOM 920 O LYS A 66 -5.652 -6.001 -10.046 1.00 0.00 O ATOM 921 CB LYS A 66 -4.459 -8.811 -8.446 1.00 0.00 C ATOM 922 CG LYS A 66 -4.778 -10.136 -7.776 1.00 0.00 C ATOM 923 CD LYS A 66 -3.525 -10.967 -7.557 1.00 0.00 C ATOM 924 CE LYS A 66 -2.842 -10.610 -6.246 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.378 -10.881 -6.291 1.00 0.00 N ATOM 0 HA LYS A 66 -6.091 -7.750 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.090 -9.003 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.653 -8.322 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.266 -9.952 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.483 -10.695 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.785 -12.026 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.833 -10.809 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.010 -9.556 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.292 -11.182 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.949 -10.625 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.218 -11.892 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.944 -10.316 -7.049 1.00 0.00 H new ATOM 939 N HIS A 67 -4.296 -5.871 -8.254 1.00 0.00 N ATOM 940 CA HIS A 67 -3.775 -4.555 -8.608 1.00 0.00 C ATOM 941 C HIS A 67 -2.341 -4.388 -8.114 1.00 0.00 C ATOM 942 O HIS A 67 -2.006 -4.789 -6.999 1.00 0.00 O ATOM 943 CB HIS A 67 -4.661 -3.457 -8.019 1.00 0.00 C ATOM 944 CG HIS A 67 -6.079 -3.512 -8.496 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.155 -4.169 -8.002 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.525 -2.836 -9.612 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.219 -3.880 -8.820 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.813 -3.073 -9.783 1.00 0.00 N flip ATOM 0 H HIS A 67 -3.911 -6.260 -7.393 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.779 -4.470 -9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.649 -3.536 -6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.238 -2.485 -8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.916 -2.210 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.225 -4.252 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.395 -2.697 -10.531 1.00 0.00 H new ATOM 957 N THR A 68 -1.497 -3.794 -8.952 1.00 0.00 N ATOM 958 CA THR A 68 -0.099 -3.575 -8.601 1.00 0.00 C ATOM 959 C THR A 68 0.189 -2.094 -8.385 1.00 0.00 C ATOM 960 O THR A 68 -0.183 -1.254 -9.205 1.00 0.00 O ATOM 961 CB THR A 68 0.844 -4.116 -9.692 1.00 0.00 C ATOM 962 OG1 THR A 68 0.519 -5.478 -9.990 1.00 0.00 O ATOM 963 CG2 THR A 68 2.296 -4.021 -9.247 1.00 0.00 C ATOM 0 H THR A 68 -1.757 -3.456 -9.879 1.00 0.00 H new ATOM 0 HA THR A 68 0.082 -4.116 -7.672 1.00 0.00 H new ATOM 0 HB THR A 68 0.714 -3.508 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.122 -5.814 -10.686 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.944 -4.409 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.549 -2.979 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.437 -4.607 -8.339 1.00 0.00 H new ATOM 971 N ILE A 69 0.852 -1.780 -7.277 1.00 0.00 N ATOM 972 CA ILE A 69 1.190 -0.400 -6.955 1.00 0.00 C ATOM 973 C ILE A 69 2.693 -0.162 -7.066 1.00 0.00 C ATOM 974 O ILE A 69 3.496 -1.028 -6.720 1.00 0.00 O ATOM 975 CB ILE A 69 0.726 -0.023 -5.536 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.589 -0.730 -5.201 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.569 1.486 -5.413 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.647 -0.577 -6.271 1.00 0.00 C ATOM 0 H ILE A 69 1.166 -2.463 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 69 0.670 0.229 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 69 1.484 -0.349 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.392 -1.791 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.975 -0.336 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.241 1.737 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.525 1.969 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.172 1.835 -6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.552 -1.103 -5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.872 0.480 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.281 -0.997 -7.208 1.00 0.00 H new ATOM 990 N ARG A 70 3.065 1.019 -7.550 1.00 0.00 N ATOM 991 CA ARG A 70 4.471 1.371 -7.707 1.00 0.00 C ATOM 992 C ARG A 70 4.690 2.859 -7.450 1.00 0.00 C ATOM 993 O ARG A 70 4.084 3.709 -8.104 1.00 0.00 O ATOM 994 CB ARG A 70 4.956 1.008 -9.111 1.00 0.00 C ATOM 995 CG ARG A 70 6.463 0.838 -9.210 1.00 0.00 C ATOM 996 CD ARG A 70 6.882 0.373 -10.596 1.00 0.00 C ATOM 997 NE ARG A 70 6.652 1.398 -11.610 1.00 0.00 N ATOM 998 CZ ARG A 70 7.373 2.509 -11.709 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.365 2.737 -10.859 1.00 0.00 N ATOM 1000 NH2 ARG A 70 7.102 3.394 -12.659 1.00 0.00 N ATOM 0 H ARG A 70 2.413 1.748 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 70 5.046 0.805 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.473 0.083 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.640 1.785 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.953 1.784 -8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.798 0.115 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.939 0.105 -10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.328 -0.528 -10.859 1.00 0.00 H new ATOM 0 HE ARG A 70 5.896 1.253 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.576 2.058 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.917 3.591 -10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.339 3.222 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.656 4.247 -12.734 1.00 0.00 H new ATOM 1014 N PHE A 71 5.560 3.168 -6.494 1.00 0.00 N ATOM 1015 CA PHE A 71 5.858 4.553 -6.149 1.00 0.00 C ATOM 1016 C PHE A 71 7.201 4.658 -5.432 1.00 0.00 C ATOM 1017 O PHE A 71 7.591 3.758 -4.688 1.00 0.00 O ATOM 1018 CB PHE A 71 4.749 5.131 -5.267 1.00 0.00 C ATOM 1019 CG PHE A 71 4.473 4.313 -4.038 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.386 4.273 -2.997 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.301 3.584 -3.924 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.135 3.522 -1.864 1.00 0.00 C ATOM 1023 CE2 PHE A 71 3.044 2.831 -2.794 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.963 2.799 -1.763 1.00 0.00 C ATOM 0 H PHE A 71 6.071 2.477 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 71 5.914 5.128 -7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.024 6.142 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.834 5.211 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.305 4.835 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.580 3.604 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.855 3.501 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.126 2.268 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.765 2.210 -0.880 1.00 0.00 H new ATOM 1034 N ILE A 72 7.903 5.762 -5.663 1.00 0.00 N ATOM 1035 CA ILE A 72 9.201 5.986 -5.040 1.00 0.00 C ATOM 1036 C ILE A 72 9.205 7.274 -4.224 1.00 0.00 C ATOM 1037 O ILE A 72 8.892 8.355 -4.723 1.00 0.00 O ATOM 1038 CB ILE A 72 10.326 6.053 -6.090 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.507 4.691 -6.763 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.626 6.508 -5.444 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.163 4.772 -8.123 1.00 0.00 C ATOM 0 H ILE A 72 7.594 6.515 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 72 9.383 5.139 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 72 10.048 6.780 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.108 4.052 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.533 4.213 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.412 6.551 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.488 7.497 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.911 5.803 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.259 3.770 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.552 5.384 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.152 5.220 -8.024 1.00 0.00 H new ATOM 1053 N PRO A 73 9.570 7.159 -2.938 1.00 0.00 N ATOM 1054 CA PRO A 73 9.626 8.305 -2.026 1.00 0.00 C ATOM 1055 C PRO A 73 10.764 9.261 -2.365 1.00 0.00 C ATOM 1056 O PRO A 73 11.807 8.846 -2.872 1.00 0.00 O ATOM 1057 CB PRO A 73 9.860 7.659 -0.658 1.00 0.00 C ATOM 1058 CG PRO A 73 10.525 6.360 -0.962 1.00 0.00 C ATOM 1059 CD PRO A 73 9.956 5.902 -2.276 1.00 0.00 C ATOM 0 HA PRO A 73 8.721 8.911 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.488 8.287 -0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.921 7.508 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.606 6.481 -1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.331 5.629 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.691 5.349 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.099 5.243 -2.135 1.00 0.00 H new ATOM 1067 N HIS A 74 10.558 10.544 -2.083 1.00 0.00 N ATOM 1068 CA HIS A 74 11.569 11.559 -2.358 1.00 0.00 C ATOM 1069 C HIS A 74 12.318 11.939 -1.084 1.00 0.00 C ATOM 1070 O HIS A 74 13.542 11.837 -1.020 1.00 0.00 O ATOM 1071 CB HIS A 74 10.921 12.800 -2.971 1.00 0.00 C ATOM 1072 CG HIS A 74 10.454 12.598 -4.380 1.00 0.00 C ATOM 1073 ND1 HIS A 74 10.176 11.356 -4.910 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.216 13.489 -5.371 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.789 11.491 -6.165 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.803 12.777 -6.469 1.00 0.00 N ATOM 0 H HIS A 74 9.701 10.905 -1.665 1.00 0.00 H new ATOM 0 HA HIS A 74 12.283 11.142 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.073 13.099 -2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.636 13.622 -2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.330 14.561 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.509 10.687 -6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.548 13.176 -7.373 1.00 0.00 H new ATOM 1085 N GLU A 75 11.573 12.377 -0.073 1.00 0.00 N ATOM 1086 CA GLU A 75 12.168 12.773 1.197 1.00 0.00 C ATOM 1087 C GLU A 75 11.884 11.734 2.279 1.00 0.00 C ATOM 1088 O GLU A 75 10.729 11.415 2.559 1.00 0.00 O ATOM 1089 CB GLU A 75 11.632 14.138 1.633 1.00 0.00 C ATOM 1090 CG GLU A 75 12.028 14.524 3.049 1.00 0.00 C ATOM 1091 CD GLU A 75 13.475 14.966 3.150 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.757 16.148 2.862 1.00 0.00 O ATOM 1093 OE2 GLU A 75 14.326 14.129 3.519 1.00 0.00 O ATOM 0 H GLU A 75 10.558 12.466 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 75 13.247 12.842 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.996 14.899 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.545 14.133 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.381 15.329 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.864 13.675 3.712 1.00 0.00 H new ATOM 1100 N ASN A 76 12.946 11.211 2.882 1.00 0.00 N ATOM 1101 CA ASN A 76 12.812 10.207 3.932 1.00 0.00 C ATOM 1102 C ASN A 76 11.652 10.547 4.864 1.00 0.00 C ATOM 1103 O ASN A 76 11.194 11.688 4.911 1.00 0.00 O ATOM 1104 CB ASN A 76 14.110 10.101 4.733 1.00 0.00 C ATOM 1105 CG ASN A 76 15.082 9.104 4.130 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.620 7.876 3.929 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 16.233 9.436 3.849 1.00 0.00 N flip ATOM 0 H ASN A 76 13.909 11.465 2.662 1.00 0.00 H new ATOM 0 HA ASN A 76 12.606 9.247 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.584 11.081 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.879 9.806 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.545 10.392 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.876 8.755 3.444 1.00 0.00 H new ATOM 1114 N GLY A 77 11.183 9.547 5.605 1.00 0.00 N ATOM 1115 CA GLY A 77 10.082 9.760 6.526 1.00 0.00 C ATOM 1116 C GLY A 77 8.883 8.890 6.206 1.00 0.00 C ATOM 1117 O GLY A 77 8.695 8.475 5.063 1.00 0.00 O ATOM 0 H GLY A 77 11.546 8.594 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.417 9.552 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.785 10.808 6.496 1.00 0.00 H new ATOM 1121 N VAL A 78 8.069 8.611 7.220 1.00 0.00 N ATOM 1122 CA VAL A 78 6.882 7.784 7.041 1.00 0.00 C ATOM 1123 C VAL A 78 5.875 8.459 6.117 1.00 0.00 C ATOM 1124 O VAL A 78 5.584 9.648 6.260 1.00 0.00 O ATOM 1125 CB VAL A 78 6.201 7.481 8.390 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.999 6.571 8.189 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.195 6.859 9.359 1.00 0.00 C ATOM 0 H VAL A 78 8.210 8.946 8.173 1.00 0.00 H new ATOM 0 HA VAL A 78 7.213 6.848 6.590 1.00 0.00 H new ATOM 0 HB VAL A 78 5.848 8.419 8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.531 6.368 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.279 7.059 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.324 5.633 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.698 6.651 10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.579 5.929 8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.021 7.550 9.526 1.00 0.00 H new ATOM 1137 N HIS A 79 5.344 7.694 5.168 1.00 0.00 N ATOM 1138 CA HIS A 79 4.368 8.219 4.220 1.00 0.00 C ATOM 1139 C HIS A 79 2.986 7.626 4.480 1.00 0.00 C ATOM 1140 O HIS A 79 2.856 6.597 5.142 1.00 0.00 O ATOM 1141 CB HIS A 79 4.804 7.916 2.786 1.00 0.00 C ATOM 1142 CG HIS A 79 6.017 8.681 2.355 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.064 8.972 3.204 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.348 9.213 1.156 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.985 9.653 2.546 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.575 9.812 1.300 1.00 0.00 N ATOM 0 H HIS A 79 5.573 6.709 5.035 1.00 0.00 H new ATOM 0 HA HIS A 79 4.312 9.299 4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.006 6.849 2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.981 8.144 2.109 1.00 0.00 H new ATOM 0 HD1 HIS A 79 7.119 8.703 4.186 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.757 9.174 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.915 10.018 2.957 1.00 0.00 H new ATOM 1155 N SER A 80 1.957 8.284 3.954 1.00 0.00 N ATOM 1156 CA SER A 80 0.585 7.825 4.133 1.00 0.00 C ATOM 1157 C SER A 80 0.036 7.236 2.837 1.00 0.00 C ATOM 1158 O SER A 80 -0.179 7.953 1.859 1.00 0.00 O ATOM 1159 CB SER A 80 -0.305 8.979 4.600 1.00 0.00 C ATOM 1160 OG SER A 80 -1.614 8.526 4.896 1.00 0.00 O ATOM 0 H SER A 80 2.048 9.136 3.401 1.00 0.00 H new ATOM 0 HA SER A 80 0.585 7.045 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.131 9.444 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.348 9.745 3.826 1.00 0.00 H new ATOM 0 HG SER A 80 -2.162 9.282 5.194 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.189 5.927 2.838 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.714 5.241 1.664 1.00 0.00 C ATOM 1168 C ILE A 81 -2.233 5.123 1.730 1.00 0.00 C ATOM 1169 O ILE A 81 -2.770 4.289 2.459 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.107 3.834 1.515 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.376 3.852 1.892 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.292 3.325 0.094 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.242 4.600 0.901 1.00 0.00 C ATOM 0 H ILE A 81 -0.016 5.320 3.639 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.436 5.841 0.798 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.626 3.157 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.487 4.308 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.734 2.826 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.142 2.329 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.355 3.279 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.204 4.001 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.280 4.572 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.161 4.131 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.909 5.636 0.837 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.920 5.962 0.962 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.378 5.949 0.931 1.00 0.00 C ATOM 1187 C ASP A 82 -4.892 4.890 -0.039 1.00 0.00 C ATOM 1188 O ASP A 82 -4.641 4.960 -1.242 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.912 7.326 0.531 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.881 8.315 1.680 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.945 8.237 2.503 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.792 9.166 1.755 1.00 0.00 O ATOM 0 H ASP A 82 -2.491 6.659 0.353 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.736 5.704 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.319 7.716 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.935 7.225 0.170 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.611 3.907 0.494 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.160 2.832 -0.324 1.00 0.00 C ATOM 1199 C VAL A 83 -7.684 2.816 -0.260 1.00 0.00 C ATOM 1200 O VAL A 83 -8.270 2.429 0.750 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.625 1.458 0.121 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.146 0.360 -0.793 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.104 1.463 0.149 1.00 0.00 C ATOM 0 H VAL A 83 -5.827 3.833 1.488 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.844 3.022 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.984 1.257 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.757 -0.603 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.235 0.343 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.819 0.552 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.743 0.485 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.722 1.686 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.755 2.222 0.849 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.320 3.240 -1.347 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.776 3.273 -1.418 1.00 0.00 C ATOM 1215 C LYS A 84 -10.303 2.159 -2.315 1.00 0.00 C ATOM 1216 O LYS A 84 -9.638 1.745 -3.265 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.251 4.631 -1.940 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.192 5.737 -0.901 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.956 6.970 -1.355 1.00 0.00 C ATOM 1220 CE LYS A 84 -12.413 6.913 -0.923 1.00 0.00 C ATOM 1221 NZ LYS A 84 -13.172 8.115 -1.368 1.00 0.00 N ATOM 0 H LYS A 84 -7.849 3.566 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.167 3.120 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.640 4.916 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.276 4.535 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.608 5.376 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.152 6.002 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.487 7.863 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.900 7.055 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.879 6.017 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.467 6.831 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.160 8.037 -1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.744 8.968 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.143 8.180 -2.406 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.503 1.676 -2.009 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.120 0.610 -2.789 1.00 0.00 C ATOM 1237 C PHE A 85 -13.587 0.921 -3.072 1.00 0.00 C ATOM 1238 O PHE A 85 -14.421 0.907 -2.168 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.004 -0.724 -2.048 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.309 -1.917 -2.910 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.488 -2.244 -3.977 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.416 -2.709 -2.653 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.765 -3.341 -4.772 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.697 -3.807 -3.444 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.872 -4.123 -4.505 1.00 0.00 C ATOM 0 H PHE A 85 -12.067 2.006 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.593 0.538 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.994 -0.822 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.684 -0.718 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.622 -1.635 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.066 -2.466 -1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.117 -3.586 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.562 -4.418 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.092 -4.980 -5.125 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.892 1.203 -4.335 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.257 1.520 -4.738 1.00 0.00 C ATOM 1257 C ASN A 86 -15.856 2.595 -3.836 1.00 0.00 C ATOM 1258 O ASN A 86 -17.041 2.557 -3.510 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.128 0.262 -4.698 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.253 0.305 -5.714 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -17.247 -0.645 -6.642 1.00 0.00 O flip ATOM 1262 ND2 ASN A 86 -18.116 1.181 -5.665 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.213 1.218 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.228 1.902 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.506 -0.613 -4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.548 0.146 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.081 1.891 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -18.867 1.197 -6.356 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.026 3.555 -3.437 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.491 4.627 -2.577 1.00 0.00 C ATOM 1271 C GLY A 87 -15.599 4.202 -1.126 1.00 0.00 C ATOM 1272 O GLY A 87 -16.616 4.443 -0.476 1.00 0.00 O ATOM 0 H GLY A 87 -14.040 3.609 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.808 5.473 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.465 4.971 -2.925 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.549 3.566 -0.618 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.530 3.106 0.765 1.00 0.00 C ATOM 1278 C ALA A 88 -13.102 2.884 1.251 1.00 0.00 C ATOM 1279 O ALA A 88 -12.311 2.204 0.595 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.343 1.827 0.907 1.00 0.00 C ATOM 0 H ALA A 88 -13.700 3.357 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.980 3.881 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.320 1.495 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.374 2.016 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.918 1.053 0.269 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.777 3.461 2.403 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.442 3.326 2.976 1.00 0.00 C ATOM 1288 C HIS A 89 -11.258 1.949 3.606 1.00 0.00 C ATOM 1289 O HIS A 89 -12.068 1.519 4.428 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.201 4.415 4.022 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.601 5.666 3.458 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.305 6.061 3.715 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.127 6.611 2.644 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.060 7.196 3.085 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.149 7.551 2.427 1.00 0.00 N ATOM 0 H HIS A 89 -13.419 4.026 2.958 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.715 3.438 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.148 4.661 4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.542 4.023 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.129 6.624 2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.128 7.741 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.248 8.387 1.851 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.191 1.262 3.214 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.901 -0.066 3.741 1.00 0.00 C ATOM 1306 C ILE A 90 -9.482 0.003 5.206 1.00 0.00 C ATOM 1307 O ILE A 90 -8.923 0.996 5.671 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.791 -0.762 2.933 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.451 -0.055 3.152 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.148 -0.788 1.455 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.252 -0.949 2.925 1.00 0.00 C ATOM 0 H ILE A 90 -9.512 1.603 2.533 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.819 -0.647 3.656 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.699 -1.791 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.387 0.802 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.417 0.334 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.353 -1.283 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.082 -1.332 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.265 0.233 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.337 -0.382 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.292 -1.793 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.262 -1.318 1.899 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.757 -1.077 5.951 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.416 -1.165 7.374 1.00 0.00 C ATOM 1325 C PRO A 91 -7.912 -1.269 7.604 1.00 0.00 C ATOM 1326 O PRO A 91 -7.312 -2.321 7.390 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.115 -2.449 7.828 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.237 -3.272 6.592 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.423 -2.297 5.463 1.00 0.00 C ATOM 0 HA PRO A 91 -9.728 -0.276 7.923 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.535 -2.966 8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.093 -2.236 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.346 -3.881 6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.083 -3.956 6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.970 -2.660 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.478 -2.122 5.253 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.307 -0.168 8.041 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.878 -0.157 8.292 1.00 0.00 C ATOM 1339 C GLY A 92 -5.176 0.994 7.599 1.00 0.00 C ATOM 1340 O GLY A 92 -4.048 1.343 7.947 1.00 0.00 O ATOM 0 H GLY A 92 -7.781 0.716 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.701 -0.093 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.446 -1.099 7.954 1.00 0.00 H new ATOM 1344 N SER A 93 -5.844 1.585 6.613 1.00 0.00 N ATOM 1345 CA SER A 93 -5.276 2.700 5.865 1.00 0.00 C ATOM 1346 C SER A 93 -5.568 4.026 6.560 1.00 0.00 C ATOM 1347 O SER A 93 -6.551 4.172 7.287 1.00 0.00 O ATOM 1348 CB SER A 93 -5.834 2.723 4.441 1.00 0.00 C ATOM 1349 OG SER A 93 -5.921 4.049 3.949 1.00 0.00 O ATOM 0 H SER A 93 -6.779 1.310 6.314 1.00 0.00 H new ATOM 0 HA SER A 93 -4.195 2.563 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.195 2.130 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.821 2.261 4.426 1.00 0.00 H new ATOM 0 HG SER A 93 -6.663 4.113 3.311 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.695 5.018 6.332 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.521 4.856 5.469 1.00 0.00 C ATOM 1357 C PRO A 94 -2.470 3.940 6.086 1.00 0.00 C ATOM 1358 O PRO A 94 -2.304 3.902 7.306 1.00 0.00 O ATOM 1359 CB PRO A 94 -2.978 6.281 5.338 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.451 6.982 6.565 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.786 6.374 6.900 1.00 0.00 C ATOM 0 HA PRO A 94 -3.777 4.393 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.890 6.286 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.352 6.766 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.746 6.851 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.543 8.054 6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.957 6.348 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.607 6.940 6.460 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.761 3.204 5.237 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.725 2.288 5.699 1.00 0.00 C ATOM 1371 C PHE A 95 0.575 3.034 5.981 1.00 0.00 C ATOM 1372 O PHE A 95 1.317 3.383 5.061 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.483 1.192 4.659 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.552 0.137 4.639 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.858 -0.579 5.785 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.250 -0.139 3.474 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.842 -1.550 5.770 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.234 -1.108 3.453 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.530 -1.816 4.602 1.00 0.00 C ATOM 0 H PHE A 95 -1.885 3.224 4.225 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.068 1.830 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.416 1.648 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.479 0.719 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.322 -0.376 6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.022 0.410 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.073 -2.100 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.772 -1.312 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.298 -2.576 4.587 1.00 0.00 H new ATOM 1389 N LYS A 96 0.846 3.277 7.259 1.00 0.00 N ATOM 1390 CA LYS A 96 2.057 3.981 7.664 1.00 0.00 C ATOM 1391 C LYS A 96 3.298 3.142 7.374 1.00 0.00 C ATOM 1392 O LYS A 96 3.600 2.193 8.098 1.00 0.00 O ATOM 1393 CB LYS A 96 1.998 4.323 9.155 1.00 0.00 C ATOM 1394 CG LYS A 96 0.921 5.336 9.503 1.00 0.00 C ATOM 1395 CD LYS A 96 1.323 6.742 9.090 1.00 0.00 C ATOM 1396 CE LYS A 96 0.339 7.779 9.609 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.701 9.155 9.171 1.00 0.00 N ATOM 0 H LYS A 96 0.243 2.997 8.032 1.00 0.00 H new ATOM 0 HA LYS A 96 2.121 4.904 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.823 3.409 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.967 4.712 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.011 5.063 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.730 5.312 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.320 6.963 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.376 6.802 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.663 7.537 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.311 7.740 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.006 9.832 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.647 9.396 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.703 9.199 8.132 1.00 0.00 H new ATOM 1411 N ILE A 97 4.012 3.499 6.312 1.00 0.00 N ATOM 1412 CA ILE A 97 5.221 2.780 5.928 1.00 0.00 C ATOM 1413 C ILE A 97 6.472 3.556 6.328 1.00 0.00 C ATOM 1414 O ILE A 97 6.553 4.768 6.130 1.00 0.00 O ATOM 1415 CB ILE A 97 5.260 2.513 4.412 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.156 3.828 3.637 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.137 1.566 4.013 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.462 3.686 2.163 1.00 0.00 C ATOM 0 H ILE A 97 3.775 4.281 5.702 1.00 0.00 H new ATOM 0 HA ILE A 97 5.202 1.827 6.456 1.00 0.00 H new ATOM 0 HB ILE A 97 6.212 2.043 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.150 4.231 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.842 4.553 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.177 1.386 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.252 0.621 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.176 2.012 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.369 4.657 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.478 3.313 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.760 2.985 1.711 1.00 0.00 H new ATOM 1430 N ARG A 98 7.445 2.848 6.891 1.00 0.00 N ATOM 1431 CA ARG A 98 8.693 3.469 7.318 1.00 0.00 C ATOM 1432 C ARG A 98 9.705 3.498 6.177 1.00 0.00 C ATOM 1433 O ARG A 98 10.181 2.455 5.729 1.00 0.00 O ATOM 1434 CB ARG A 98 9.279 2.717 8.515 1.00 0.00 C ATOM 1435 CG ARG A 98 10.264 3.540 9.328 1.00 0.00 C ATOM 1436 CD ARG A 98 10.383 3.020 10.752 1.00 0.00 C ATOM 1437 NE ARG A 98 11.706 3.268 11.318 1.00 0.00 N ATOM 1438 CZ ARG A 98 12.823 2.738 10.834 1.00 0.00 C ATOM 1439 NH1 ARG A 98 12.778 1.934 9.781 1.00 0.00 N ATOM 1440 NH2 ARG A 98 13.990 3.012 11.404 1.00 0.00 N ATOM 0 H ARG A 98 7.393 1.844 7.062 1.00 0.00 H new ATOM 0 HA ARG A 98 8.476 4.495 7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.465 2.394 9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.779 1.816 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.242 3.517 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.942 4.581 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.627 3.497 11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.178 1.949 10.765 1.00 0.00 H new ATOM 0 HE ARG A 98 11.776 3.882 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.883 1.721 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.638 1.529 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.029 3.630 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.848 2.604 11.032 1.00 0.00 H new ATOM 1454 N VAL A 99 10.029 4.700 5.710 1.00 0.00 N ATOM 1455 CA VAL A 99 10.985 4.864 4.621 1.00 0.00 C ATOM 1456 C VAL A 99 12.315 5.404 5.135 1.00 0.00 C ATOM 1457 O VAL A 99 12.409 6.556 5.556 1.00 0.00 O ATOM 1458 CB VAL A 99 10.442 5.814 3.537 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.522 6.128 2.513 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.217 5.212 2.866 1.00 0.00 C ATOM 0 H VAL A 99 9.644 5.574 6.069 1.00 0.00 H new ATOM 0 HA VAL A 99 11.141 3.878 4.184 1.00 0.00 H new ATOM 0 HB VAL A 99 10.144 6.748 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.120 6.800 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.367 6.605 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.854 5.204 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.847 5.897 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.486 4.263 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.439 5.044 3.611 1.00 0.00 H new