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 84 LYS NZ :NH3+ -179:sc= -1.73 (180deg=-0.255) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -3.05 K(o=-4.8,f=-2.5!) USER MOD Set 2.1: A 80 SER OG : rot 180:sc= 0.154 USER MOD Set 2.2: A 96 LYS NZ :NH3+ -169:sc= 0.106 (180deg=-0.162) USER MOD Set 3.1: A 49 THR OG1 : rot 121:sc= 1.29 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0.938 USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.246 X(o=0.17,f=-0.15) USER MOD Set 4.3: A 37 ASN : amide:sc= 0.417 X(o=0.17,f=0.27) 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 K(o=0,f=-0.64) 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=-0.15) USER MOD Single : A 28 GLN : amide:sc= -2.26! C(o=-2.3!,f=-3.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot -99:sc= -0.148 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 : no HD1:sc= -0.421 X(o=-0.42,f=-0.0073) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.0616 X(o=0.062,f=-0.38) USER MOD Single : A 76 ASN : amide:sc= -3.06! K(o=-3.1!,f=-1.2) USER MOD Single : A 79 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-7.5!) USER MOD Single : A 86 ASN : amide:sc= -0.46 K(o=-0.46,f=0.075) USER MOD Single : A 93 SER OG : rot -150:sc= -0.976 USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.471 -3.943 0.948 1.00 0.00 N ATOM 102 CA ALA A 11 -13.144 -3.370 1.139 1.00 0.00 C ATOM 103 C ALA A 11 -12.447 -3.992 2.344 1.00 0.00 C ATOM 104 O ALA A 11 -11.283 -3.698 2.620 1.00 0.00 O ATOM 105 CB ALA A 11 -13.240 -1.861 1.303 1.00 0.00 C ATOM 0 HA ALA A 11 -12.548 -3.591 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.242 -1.446 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.690 -1.426 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.857 -1.628 2.171 1.00 0.00 H new ATOM 111 N ARG A 12 -13.165 -4.852 3.059 1.00 0.00 N ATOM 112 CA ARG A 12 -12.614 -5.514 4.235 1.00 0.00 C ATOM 113 C ARG A 12 -11.856 -6.779 3.843 1.00 0.00 C ATOM 114 O ARG A 12 -10.939 -7.208 4.544 1.00 0.00 O ATOM 115 CB ARG A 12 -13.732 -5.861 5.221 1.00 0.00 C ATOM 116 CG ARG A 12 -14.791 -4.778 5.346 1.00 0.00 C ATOM 117 CD ARG A 12 -16.138 -5.360 5.746 1.00 0.00 C ATOM 118 NE ARG A 12 -16.303 -5.413 7.196 1.00 0.00 N ATOM 119 CZ ARG A 12 -17.455 -5.691 7.795 1.00 0.00 C ATOM 120 NH1 ARG A 12 -18.539 -5.941 7.073 1.00 0.00 N ATOM 121 NH2 ARG A 12 -17.526 -5.720 9.120 1.00 0.00 N ATOM 0 H ARG A 12 -14.129 -5.106 2.844 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.916 -4.827 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.209 -6.789 4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.295 -6.045 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.476 -4.043 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.888 -4.251 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.936 -4.758 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.236 -6.364 5.333 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.488 -5.226 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.489 -5.920 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.422 -6.154 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.695 -5.529 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.412 -5.934 9.579 1.00 0.00 H new ATOM 135 N ARG A 13 -12.246 -7.372 2.720 1.00 0.00 N ATOM 136 CA ARG A 13 -11.605 -8.588 2.235 1.00 0.00 C ATOM 137 C ARG A 13 -10.255 -8.275 1.598 1.00 0.00 C ATOM 138 O ARG A 13 -9.457 -9.175 1.332 1.00 0.00 O ATOM 139 CB ARG A 13 -12.507 -9.297 1.223 1.00 0.00 C ATOM 140 CG ARG A 13 -13.826 -9.772 1.809 1.00 0.00 C ATOM 141 CD ARG A 13 -14.755 -10.306 0.730 1.00 0.00 C ATOM 142 NE ARG A 13 -15.730 -11.252 1.267 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.805 -10.886 1.957 1.00 0.00 C ATOM 144 NH1 ARG A 13 -17.042 -9.603 2.192 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.647 -11.806 2.412 1.00 0.00 N ATOM 0 H ARG A 13 -13.003 -7.030 2.128 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.440 -9.246 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.711 -8.619 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.973 -10.153 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.638 -10.552 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.311 -8.948 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.278 -9.474 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.166 -10.794 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.577 -12.247 1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.398 -8.893 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.868 -9.326 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.469 -12.794 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.472 -11.525 2.942 1.00 0.00 H new ATOM 159 N LEU A 14 -10.005 -6.993 1.355 1.00 0.00 N ATOM 160 CA LEU A 14 -8.751 -6.559 0.748 1.00 0.00 C ATOM 161 C LEU A 14 -7.596 -6.686 1.736 1.00 0.00 C ATOM 162 O LEU A 14 -7.779 -6.540 2.945 1.00 0.00 O ATOM 163 CB LEU A 14 -8.868 -5.113 0.266 1.00 0.00 C ATOM 164 CG LEU A 14 -10.141 -4.763 -0.506 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.312 -3.255 -0.600 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.109 -5.385 -1.895 1.00 0.00 C ATOM 0 H LEU A 14 -10.654 -6.236 1.569 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.547 -7.204 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.801 -4.456 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.010 -4.892 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.995 -5.171 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.223 -3.026 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.380 -2.833 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.455 -2.823 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.022 -5.126 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.247 -5.006 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.035 -6.469 -1.807 1.00 0.00 H new ATOM 178 N THR A 15 -6.404 -6.958 1.214 1.00 0.00 N ATOM 179 CA THR A 15 -5.218 -7.103 2.049 1.00 0.00 C ATOM 180 C THR A 15 -3.946 -6.866 1.243 1.00 0.00 C ATOM 181 O THR A 15 -3.944 -6.983 0.018 1.00 0.00 O ATOM 182 CB THR A 15 -5.152 -8.501 2.691 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.549 -9.497 1.741 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.049 -8.576 3.917 1.00 0.00 C ATOM 0 H THR A 15 -6.234 -7.082 0.216 1.00 0.00 H new ATOM 0 HA THR A 15 -5.291 -6.352 2.836 1.00 0.00 H new ATOM 0 HB THR A 15 -4.123 -8.686 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.503 -10.383 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.986 -9.573 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.725 -7.838 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.080 -8.372 3.627 1.00 0.00 H new ATOM 192 N VAL A 16 -2.864 -6.532 1.939 1.00 0.00 N ATOM 193 CA VAL A 16 -1.584 -6.279 1.289 1.00 0.00 C ATOM 194 C VAL A 16 -0.444 -6.967 2.032 1.00 0.00 C ATOM 195 O VAL A 16 -0.304 -6.823 3.247 1.00 0.00 O ATOM 196 CB VAL A 16 -1.287 -4.771 1.199 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.035 -4.528 0.488 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.423 -4.046 0.494 1.00 0.00 C ATOM 0 H VAL A 16 -2.849 -6.430 2.954 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.656 -6.688 0.281 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.205 -4.373 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.228 -3.456 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.840 -5.014 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.013 -4.939 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.197 -2.981 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.539 -4.445 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.349 -4.192 1.051 1.00 0.00 H new ATOM 208 N THR A 17 0.370 -7.716 1.294 1.00 0.00 N ATOM 209 CA THR A 17 1.497 -8.428 1.883 1.00 0.00 C ATOM 210 C THR A 17 2.823 -7.854 1.397 1.00 0.00 C ATOM 211 O THR A 17 3.577 -7.266 2.172 1.00 0.00 O ATOM 212 CB THR A 17 1.449 -9.931 1.551 1.00 0.00 C ATOM 213 OG1 THR A 17 0.185 -10.478 1.942 1.00 0.00 O ATOM 214 CG2 THR A 17 2.571 -10.678 2.256 1.00 0.00 C ATOM 0 H THR A 17 0.269 -7.845 0.287 1.00 0.00 H new ATOM 0 HA THR A 17 1.422 -8.300 2.963 1.00 0.00 H new ATOM 0 HB THR A 17 1.578 -10.047 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.161 -11.434 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.516 -11.738 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.533 -10.279 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.469 -10.554 3.334 1.00 0.00 H new ATOM 222 N SER A 18 3.102 -8.029 0.109 1.00 0.00 N ATOM 223 CA SER A 18 4.340 -7.530 -0.479 1.00 0.00 C ATOM 224 C SER A 18 4.756 -6.212 0.165 1.00 0.00 C ATOM 225 O SER A 18 5.930 -5.999 0.468 1.00 0.00 O ATOM 226 CB SER A 18 4.172 -7.343 -1.988 1.00 0.00 C ATOM 227 OG SER A 18 4.411 -8.555 -2.682 1.00 0.00 O ATOM 0 H SER A 18 2.488 -8.512 -0.547 1.00 0.00 H new ATOM 0 HA SER A 18 5.123 -8.266 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.164 -6.990 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.861 -6.576 -2.341 1.00 0.00 H new ATOM 0 HG SER A 18 4.296 -8.409 -3.644 1.00 0.00 H new ATOM 233 N LEU A 19 3.784 -5.329 0.372 1.00 0.00 N ATOM 234 CA LEU A 19 4.048 -4.030 0.981 1.00 0.00 C ATOM 235 C LEU A 19 4.859 -4.184 2.264 1.00 0.00 C ATOM 236 O LEU A 19 4.437 -4.866 3.197 1.00 0.00 O ATOM 237 CB LEU A 19 2.732 -3.309 1.280 1.00 0.00 C ATOM 238 CG LEU A 19 2.836 -2.057 2.152 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.555 -0.944 1.404 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.454 -1.599 2.594 1.00 0.00 C ATOM 0 H LEU A 19 2.807 -5.489 0.127 1.00 0.00 H new ATOM 0 HA LEU A 19 4.629 -3.437 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.270 -3.030 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.058 -4.013 1.768 1.00 0.00 H new ATOM 0 HG LEU A 19 3.417 -2.303 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.620 -0.061 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.559 -1.274 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.002 -0.698 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.547 -0.707 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.849 -1.370 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.975 -2.391 3.169 1.00 0.00 H new ATOM 252 N GLN A 20 6.024 -3.545 2.301 1.00 0.00 N ATOM 253 CA GLN A 20 6.893 -3.610 3.470 1.00 0.00 C ATOM 254 C GLN A 20 6.584 -2.476 4.442 1.00 0.00 C ATOM 255 O GLN A 20 6.822 -1.307 4.141 1.00 0.00 O ATOM 256 CB GLN A 20 8.361 -3.548 3.044 1.00 0.00 C ATOM 257 CG GLN A 20 9.303 -4.260 4.002 1.00 0.00 C ATOM 258 CD GLN A 20 10.711 -4.379 3.455 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.221 -3.458 2.815 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.350 -5.516 3.703 1.00 0.00 N ATOM 0 H GLN A 20 6.387 -2.977 1.536 1.00 0.00 H new ATOM 0 HA GLN A 20 6.709 -4.557 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.462 -3.990 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.663 -2.504 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.329 -3.720 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.914 -5.256 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.890 -6.253 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.301 -5.652 3.359 1.00 0.00 H new ATOM 269 N GLU A 21 6.053 -2.830 5.608 1.00 0.00 N ATOM 270 CA GLU A 21 5.712 -1.841 6.623 1.00 0.00 C ATOM 271 C GLU A 21 6.920 -0.976 6.969 1.00 0.00 C ATOM 272 O GLU A 21 6.842 0.253 6.963 1.00 0.00 O ATOM 273 CB GLU A 21 5.187 -2.531 7.884 1.00 0.00 C ATOM 274 CG GLU A 21 3.711 -2.883 7.816 1.00 0.00 C ATOM 275 CD GLU A 21 3.135 -3.247 9.170 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.559 -4.275 9.739 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.260 -2.504 9.662 1.00 0.00 O ATOM 0 H GLU A 21 5.850 -3.794 5.873 1.00 0.00 H new ATOM 0 HA GLU A 21 4.931 -1.198 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.761 -3.441 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.357 -1.880 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.158 -2.038 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.572 -3.718 7.130 1.00 0.00 H new ATOM 284 N THR A 22 8.040 -1.627 7.271 1.00 0.00 N ATOM 285 CA THR A 22 9.265 -0.919 7.621 1.00 0.00 C ATOM 286 C THR A 22 10.489 -1.622 7.046 1.00 0.00 C ATOM 287 O THR A 22 10.591 -2.848 7.090 1.00 0.00 O ATOM 288 CB THR A 22 9.426 -0.798 9.148 1.00 0.00 C ATOM 289 OG1 THR A 22 9.597 -2.096 9.727 1.00 0.00 O ATOM 290 CG2 THR A 22 8.216 -0.116 9.768 1.00 0.00 C ATOM 0 H THR A 22 8.123 -2.644 7.280 1.00 0.00 H new ATOM 0 HA THR A 22 9.188 0.080 7.191 1.00 0.00 H new ATOM 0 HB THR A 22 10.308 -0.191 9.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.700 -2.010 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.353 -0.042 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.106 0.883 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.320 -0.700 9.555 1.00 0.00 H new ATOM 298 N GLY A 23 11.417 -0.838 6.507 1.00 0.00 N ATOM 299 CA GLY A 23 12.624 -1.403 5.931 1.00 0.00 C ATOM 300 C GLY A 23 12.932 -0.838 4.559 1.00 0.00 C ATOM 301 O GLY A 23 14.068 -0.912 4.089 1.00 0.00 O ATOM 0 H GLY A 23 11.355 0.179 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.465 -1.210 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.516 -2.485 5.859 1.00 0.00 H new ATOM 305 N LEU A 24 11.918 -0.272 3.913 1.00 0.00 N ATOM 306 CA LEU A 24 12.085 0.308 2.585 1.00 0.00 C ATOM 307 C LEU A 24 13.168 1.382 2.592 1.00 0.00 C ATOM 308 O LEU A 24 13.394 2.044 3.605 1.00 0.00 O ATOM 309 CB LEU A 24 10.763 0.902 2.096 1.00 0.00 C ATOM 310 CG LEU A 24 9.668 -0.102 1.735 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.407 0.621 1.288 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.153 -1.053 0.651 1.00 0.00 C ATOM 0 H LEU A 24 10.972 -0.202 4.287 1.00 0.00 H new ATOM 0 HA LEU A 24 12.392 -0.486 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.378 1.566 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.967 1.518 1.220 1.00 0.00 H new ATOM 0 HG LEU A 24 9.431 -0.687 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.639 -0.110 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.048 1.260 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.629 1.232 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.361 -1.761 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.419 -0.484 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.027 -1.597 1.009 1.00 0.00 H new ATOM 324 N LYS A 25 13.832 1.553 1.454 1.00 0.00 N ATOM 325 CA LYS A 25 14.889 2.549 1.327 1.00 0.00 C ATOM 326 C LYS A 25 14.365 3.815 0.657 1.00 0.00 C ATOM 327 O LYS A 25 13.312 3.801 0.019 1.00 0.00 O ATOM 328 CB LYS A 25 16.060 1.981 0.522 1.00 0.00 C ATOM 329 CG LYS A 25 17.005 1.124 1.346 1.00 0.00 C ATOM 330 CD LYS A 25 17.932 0.307 0.462 1.00 0.00 C ATOM 331 CE LYS A 25 18.532 -0.869 1.218 1.00 0.00 C ATOM 332 NZ LYS A 25 17.641 -2.061 1.188 1.00 0.00 N ATOM 0 H LYS A 25 13.657 1.014 0.606 1.00 0.00 H new ATOM 0 HA LYS A 25 15.235 2.805 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.668 1.385 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.621 2.805 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.596 1.762 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.428 0.456 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.381 -0.059 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.732 0.944 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.497 -1.126 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.716 -0.580 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.086 -2.840 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.729 -1.823 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.485 -2.353 0.202 1.00 0.00 H new ATOM 346 N VAL A 26 15.107 4.908 0.804 1.00 0.00 N ATOM 347 CA VAL A 26 14.718 6.182 0.211 1.00 0.00 C ATOM 348 C VAL A 26 14.978 6.191 -1.291 1.00 0.00 C ATOM 349 O VAL A 26 15.924 5.568 -1.771 1.00 0.00 O ATOM 350 CB VAL A 26 15.474 7.357 0.859 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.857 7.507 0.244 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.676 8.645 0.719 1.00 0.00 C ATOM 0 H VAL A 26 15.981 4.937 1.329 1.00 0.00 H new ATOM 0 HA VAL A 26 13.650 6.303 0.393 1.00 0.00 H new ATOM 0 HB VAL A 26 15.597 7.146 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.376 8.342 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.426 6.591 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.761 7.696 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.225 9.465 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.520 8.864 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.711 8.530 1.212 1.00 0.00 H new ATOM 362 N ASN A 27 14.132 6.903 -2.029 1.00 0.00 N ATOM 363 CA ASN A 27 14.271 6.993 -3.478 1.00 0.00 C ATOM 364 C ASN A 27 14.437 5.608 -4.096 1.00 0.00 C ATOM 365 O ASN A 27 15.272 5.407 -4.976 1.00 0.00 O ATOM 366 CB ASN A 27 15.468 7.873 -3.842 1.00 0.00 C ATOM 367 CG ASN A 27 15.224 9.338 -3.535 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.301 9.951 -4.072 1.00 0.00 O ATOM 369 ND2 ASN A 27 16.053 9.907 -2.668 1.00 0.00 N ATOM 0 H ASN A 27 13.344 7.426 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 27 13.362 7.443 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.346 7.531 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.690 7.759 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.938 10.890 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.804 9.361 -2.247 1.00 0.00 H new ATOM 376 N GLN A 28 13.634 4.658 -3.628 1.00 0.00 N ATOM 377 CA GLN A 28 13.692 3.292 -4.135 1.00 0.00 C ATOM 378 C GLN A 28 12.337 2.856 -4.683 1.00 0.00 C ATOM 379 O GLN A 28 11.286 3.148 -4.111 1.00 0.00 O ATOM 380 CB GLN A 28 14.141 2.334 -3.030 1.00 0.00 C ATOM 381 CG GLN A 28 14.061 0.868 -3.426 1.00 0.00 C ATOM 382 CD GLN A 28 15.355 0.355 -4.028 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.288 1.122 -4.268 1.00 0.00 O ATOM 384 NE2 GLN A 28 15.417 -0.948 -4.274 1.00 0.00 N ATOM 0 H GLN A 28 12.936 4.809 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 28 14.418 3.264 -4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.168 2.571 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.524 2.497 -2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.811 0.272 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.252 0.733 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.619 -1.546 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.262 -1.351 -4.678 1.00 0.00 H new ATOM 393 N PRO A 29 12.358 2.142 -5.817 1.00 0.00 N ATOM 394 CA PRO A 29 11.140 1.651 -6.467 1.00 0.00 C ATOM 395 C PRO A 29 10.462 0.543 -5.667 1.00 0.00 C ATOM 396 O PRO A 29 10.884 -0.612 -5.707 1.00 0.00 O ATOM 397 CB PRO A 29 11.645 1.110 -7.807 1.00 0.00 C ATOM 398 CG PRO A 29 13.072 0.760 -7.560 1.00 0.00 C ATOM 399 CD PRO A 29 13.575 1.757 -6.553 1.00 0.00 C ATOM 0 HA PRO A 29 10.387 2.433 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.072 0.238 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.551 1.856 -8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.164 -0.258 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.651 0.810 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.323 1.318 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.041 2.616 -7.036 1.00 0.00 H new ATOM 407 N ALA A 30 9.409 0.904 -4.941 1.00 0.00 N ATOM 408 CA ALA A 30 8.672 -0.060 -4.133 1.00 0.00 C ATOM 409 C ALA A 30 7.310 -0.365 -4.749 1.00 0.00 C ATOM 410 O ALA A 30 6.522 0.542 -5.015 1.00 0.00 O ATOM 411 CB ALA A 30 8.507 0.458 -2.712 1.00 0.00 C ATOM 0 H ALA A 30 9.047 1.857 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 30 9.245 -0.987 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.955 -0.272 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.489 0.618 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.959 1.400 -2.729 1.00 0.00 H new ATOM 417 N SER A 31 7.041 -1.647 -4.974 1.00 0.00 N ATOM 418 CA SER A 31 5.776 -2.070 -5.562 1.00 0.00 C ATOM 419 C SER A 31 5.249 -3.326 -4.874 1.00 0.00 C ATOM 420 O SER A 31 6.023 -4.168 -4.417 1.00 0.00 O ATOM 421 CB SER A 31 5.948 -2.331 -7.060 1.00 0.00 C ATOM 422 OG SER A 31 6.961 -3.292 -7.298 1.00 0.00 O ATOM 0 H SER A 31 7.682 -2.410 -4.758 1.00 0.00 H new ATOM 0 HA SER A 31 5.052 -1.268 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.005 -2.680 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.199 -1.400 -7.568 1.00 0.00 H new ATOM 0 HG SER A 31 7.050 -3.442 -8.262 1.00 0.00 H new ATOM 428 N PHE A 32 3.928 -3.444 -4.803 1.00 0.00 N ATOM 429 CA PHE A 32 3.296 -4.596 -4.169 1.00 0.00 C ATOM 430 C PHE A 32 1.940 -4.890 -4.804 1.00 0.00 C ATOM 431 O PHE A 32 1.479 -4.155 -5.678 1.00 0.00 O ATOM 432 CB PHE A 32 3.126 -4.349 -2.669 1.00 0.00 C ATOM 433 CG PHE A 32 2.842 -2.915 -2.324 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.869 -1.986 -2.268 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.549 -2.496 -2.058 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.610 -0.666 -1.951 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.284 -1.177 -1.740 1.00 0.00 C ATOM 438 CZ PHE A 32 2.316 -0.261 -1.688 1.00 0.00 C ATOM 0 H PHE A 32 3.274 -2.756 -5.176 1.00 0.00 H new ATOM 0 HA PHE A 32 3.942 -5.461 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.312 -4.972 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.032 -4.666 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.882 -2.297 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.738 -3.208 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.419 0.048 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.272 -0.864 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.112 0.771 -1.442 1.00 0.00 H new ATOM 448 N ALA A 33 1.306 -5.969 -4.358 1.00 0.00 N ATOM 449 CA ALA A 33 0.003 -6.360 -4.880 1.00 0.00 C ATOM 450 C ALA A 33 -1.064 -6.305 -3.792 1.00 0.00 C ATOM 451 O ALA A 33 -0.768 -6.475 -2.609 1.00 0.00 O ATOM 452 CB ALA A 33 0.073 -7.756 -5.483 1.00 0.00 C ATOM 0 H ALA A 33 1.674 -6.588 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.275 -5.652 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.907 -8.035 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.799 -7.765 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.377 -8.469 -4.716 1.00 0.00 H new ATOM 458 N VAL A 34 -2.307 -6.065 -4.200 1.00 0.00 N ATOM 459 CA VAL A 34 -3.418 -5.988 -3.259 1.00 0.00 C ATOM 460 C VAL A 34 -4.510 -6.990 -3.615 1.00 0.00 C ATOM 461 O VAL A 34 -5.295 -6.766 -4.536 1.00 0.00 O ATOM 462 CB VAL A 34 -4.026 -4.573 -3.224 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.095 -4.477 -2.146 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.940 -3.532 -3.004 1.00 0.00 C ATOM 0 H VAL A 34 -2.569 -5.921 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.017 -6.228 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.497 -4.375 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.513 -3.470 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.887 -5.197 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.652 -4.695 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.388 -2.538 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.438 -3.725 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.215 -3.585 -3.816 1.00 0.00 H new ATOM 474 N GLN A 35 -4.554 -8.095 -2.878 1.00 0.00 N ATOM 475 CA GLN A 35 -5.551 -9.132 -3.117 1.00 0.00 C ATOM 476 C GLN A 35 -6.936 -8.668 -2.678 1.00 0.00 C ATOM 477 O GLN A 35 -7.093 -8.069 -1.613 1.00 0.00 O ATOM 478 CB GLN A 35 -5.171 -10.415 -2.374 1.00 0.00 C ATOM 479 CG GLN A 35 -5.685 -11.680 -3.043 1.00 0.00 C ATOM 480 CD GLN A 35 -5.140 -12.941 -2.401 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.507 -13.288 -1.278 1.00 0.00 O ATOM 482 NE2 GLN A 35 -4.260 -13.635 -3.113 1.00 0.00 N ATOM 0 H GLN A 35 -3.912 -8.295 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.578 -9.334 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.085 -10.471 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.563 -10.366 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.774 -11.694 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.411 -11.666 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.984 -13.310 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.860 -14.493 -2.733 1.00 0.00 H new ATOM 491 N LEU A 36 -7.937 -8.947 -3.506 1.00 0.00 N ATOM 492 CA LEU A 36 -9.310 -8.557 -3.204 1.00 0.00 C ATOM 493 C LEU A 36 -10.009 -9.627 -2.370 1.00 0.00 C ATOM 494 O LEU A 36 -10.889 -9.324 -1.566 1.00 0.00 O ATOM 495 CB LEU A 36 -10.089 -8.314 -4.498 1.00 0.00 C ATOM 496 CG LEU A 36 -9.354 -7.529 -5.585 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.978 -7.792 -6.947 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.366 -6.041 -5.270 1.00 0.00 C ATOM 0 H LEU A 36 -7.824 -9.441 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.280 -7.633 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.381 -9.280 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.008 -7.782 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.318 -7.866 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.442 -7.225 -7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.916 -8.856 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.023 -7.484 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.838 -5.499 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.396 -5.689 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.872 -5.867 -4.314 1.00 0.00 H new ATOM 510 N ASN A 37 -9.608 -10.879 -2.567 1.00 0.00 N ATOM 511 CA ASN A 37 -10.195 -11.993 -1.832 1.00 0.00 C ATOM 512 C ASN A 37 -11.709 -12.029 -2.015 1.00 0.00 C ATOM 513 O ASN A 37 -12.438 -12.513 -1.150 1.00 0.00 O ATOM 514 CB ASN A 37 -9.852 -11.887 -0.345 1.00 0.00 C ATOM 515 CG ASN A 37 -8.386 -12.160 -0.069 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.919 -13.292 -0.193 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.652 -11.119 0.308 1.00 0.00 N ATOM 0 H ASN A 37 -8.880 -11.147 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.777 -12.918 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.107 -10.890 0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.463 -12.594 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.659 -11.241 0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.081 -10.198 0.398 1.00 0.00 H new ATOM 524 N GLY A 38 -12.175 -11.512 -3.148 1.00 0.00 N ATOM 525 CA GLY A 38 -13.600 -11.495 -3.424 1.00 0.00 C ATOM 526 C GLY A 38 -14.206 -10.116 -3.257 1.00 0.00 C ATOM 527 O GLY A 38 -15.260 -9.964 -2.639 1.00 0.00 O ATOM 0 H GLY A 38 -11.592 -11.105 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.774 -11.844 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.105 -12.194 -2.757 1.00 0.00 H new ATOM 531 N ALA A 39 -13.539 -9.107 -3.807 1.00 0.00 N ATOM 532 CA ALA A 39 -14.018 -7.733 -3.716 1.00 0.00 C ATOM 533 C ALA A 39 -13.861 -7.007 -5.047 1.00 0.00 C ATOM 534 O ALA A 39 -12.783 -7.011 -5.643 1.00 0.00 O ATOM 535 CB ALA A 39 -13.278 -6.988 -2.615 1.00 0.00 C ATOM 0 H ALA A 39 -12.665 -9.215 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.080 -7.760 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.646 -5.963 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.447 -7.487 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.211 -6.979 -2.836 1.00 0.00 H new ATOM 541 N ARG A 40 -14.941 -6.385 -5.508 1.00 0.00 N ATOM 542 CA ARG A 40 -14.922 -5.656 -6.771 1.00 0.00 C ATOM 543 C ARG A 40 -15.064 -4.156 -6.534 1.00 0.00 C ATOM 544 O ARG A 40 -15.926 -3.715 -5.776 1.00 0.00 O ATOM 545 CB ARG A 40 -16.046 -6.148 -7.685 1.00 0.00 C ATOM 546 CG ARG A 40 -15.638 -7.301 -8.586 1.00 0.00 C ATOM 547 CD ARG A 40 -15.076 -8.464 -7.783 1.00 0.00 C ATOM 548 NE ARG A 40 -16.119 -9.179 -7.052 1.00 0.00 N ATOM 549 CZ ARG A 40 -16.867 -10.137 -7.587 1.00 0.00 C ATOM 550 NH1 ARG A 40 -16.688 -10.494 -8.851 1.00 0.00 N ATOM 551 NH2 ARG A 40 -17.795 -10.741 -6.857 1.00 0.00 N ATOM 0 H ARG A 40 -15.840 -6.371 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.963 -5.841 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.892 -6.459 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.389 -5.319 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.501 -7.638 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.892 -6.958 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.565 -9.155 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.330 -8.092 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.282 -8.929 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.974 -10.033 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.264 -11.230 -9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.935 -10.470 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.369 -11.477 -7.269 1.00 0.00 H new ATOM 565 N GLY A 41 -14.209 -3.375 -7.189 1.00 0.00 N ATOM 566 CA GLY A 41 -14.255 -1.933 -7.036 1.00 0.00 C ATOM 567 C GLY A 41 -13.092 -1.240 -7.717 1.00 0.00 C ATOM 568 O GLY A 41 -12.563 -1.733 -8.714 1.00 0.00 O ATOM 0 H GLY A 41 -13.486 -3.716 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.191 -1.557 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.252 -1.683 -5.975 1.00 0.00 H new ATOM 572 N VAL A 42 -12.692 -0.092 -7.180 1.00 0.00 N ATOM 573 CA VAL A 42 -11.583 0.670 -7.742 1.00 0.00 C ATOM 574 C VAL A 42 -10.552 1.012 -6.672 1.00 0.00 C ATOM 575 O VAL A 42 -10.833 1.772 -5.746 1.00 0.00 O ATOM 576 CB VAL A 42 -12.075 1.973 -8.400 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.900 2.779 -8.934 1.00 0.00 C ATOM 578 CG2 VAL A 42 -13.070 1.667 -9.509 1.00 0.00 C ATOM 0 H VAL A 42 -13.119 0.331 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.119 0.040 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.582 2.572 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.267 3.696 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.228 3.030 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.362 2.190 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.407 2.599 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.591 1.047 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.926 1.135 -9.093 1.00 0.00 H new ATOM 588 N ILE A 43 -9.358 0.445 -6.807 1.00 0.00 N ATOM 589 CA ILE A 43 -8.284 0.690 -5.853 1.00 0.00 C ATOM 590 C ILE A 43 -7.564 1.999 -6.160 1.00 0.00 C ATOM 591 O ILE A 43 -6.946 2.146 -7.214 1.00 0.00 O ATOM 592 CB ILE A 43 -7.259 -0.459 -5.851 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.837 -1.686 -5.145 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.967 -0.015 -5.181 1.00 0.00 C ATOM 595 CD1 ILE A 43 -7.696 -1.640 -3.639 1.00 0.00 C ATOM 0 H ILE A 43 -9.110 -0.187 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.746 0.755 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.036 -0.729 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.893 -1.778 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.339 -2.580 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.252 -0.838 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.549 0.833 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.173 0.279 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.128 -2.542 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.640 -1.579 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.218 -0.765 -3.251 1.00 0.00 H new ATOM 607 N ASP A 44 -7.648 2.946 -5.232 1.00 0.00 N ATOM 608 CA ASP A 44 -7.002 4.242 -5.402 1.00 0.00 C ATOM 609 C ASP A 44 -5.794 4.373 -4.479 1.00 0.00 C ATOM 610 O ASP A 44 -5.936 4.404 -3.257 1.00 0.00 O ATOM 611 CB ASP A 44 -7.995 5.371 -5.125 1.00 0.00 C ATOM 612 CG ASP A 44 -7.316 6.630 -4.622 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.440 7.158 -5.339 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.662 7.087 -3.513 1.00 0.00 O ATOM 0 H ASP A 44 -8.157 2.840 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.658 4.316 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.545 5.599 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.725 5.036 -4.388 1.00 0.00 H new ATOM 619 N ALA A 45 -4.607 4.447 -5.072 1.00 0.00 N ATOM 620 CA ALA A 45 -3.376 4.575 -4.303 1.00 0.00 C ATOM 621 C ALA A 45 -2.821 5.993 -4.387 1.00 0.00 C ATOM 622 O ALA A 45 -2.700 6.559 -5.474 1.00 0.00 O ATOM 623 CB ALA A 45 -2.342 3.572 -4.792 1.00 0.00 C ATOM 0 H ALA A 45 -4.472 4.420 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.606 4.364 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.427 3.679 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.732 2.561 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.125 3.757 -5.844 1.00 0.00 H new ATOM 629 N ARG A 46 -2.485 6.562 -3.234 1.00 0.00 N ATOM 630 CA ARG A 46 -1.945 7.915 -3.178 1.00 0.00 C ATOM 631 C ARG A 46 -1.106 8.113 -1.919 1.00 0.00 C ATOM 632 O ARG A 46 -1.582 7.905 -0.803 1.00 0.00 O ATOM 633 CB ARG A 46 -3.079 8.941 -3.215 1.00 0.00 C ATOM 634 CG ARG A 46 -3.609 9.213 -4.613 1.00 0.00 C ATOM 635 CD ARG A 46 -4.614 10.355 -4.616 1.00 0.00 C ATOM 636 NE ARG A 46 -5.419 10.372 -5.834 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.149 11.413 -6.218 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.175 12.516 -5.482 1.00 0.00 N ATOM 639 NH2 ARG A 46 -6.855 11.353 -7.340 1.00 0.00 N ATOM 0 H ARG A 46 -2.577 6.107 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.304 8.061 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.898 8.588 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.726 9.876 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.779 9.455 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.079 8.312 -5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.269 10.264 -3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.086 11.303 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.421 9.539 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.634 12.566 -4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.736 13.314 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.838 10.507 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.415 12.153 -7.634 1.00 0.00 H new ATOM 653 N VAL A 47 0.147 8.516 -2.107 1.00 0.00 N ATOM 654 CA VAL A 47 1.053 8.743 -0.987 1.00 0.00 C ATOM 655 C VAL A 47 1.070 10.213 -0.583 1.00 0.00 C ATOM 656 O VAL A 47 0.947 11.102 -1.427 1.00 0.00 O ATOM 657 CB VAL A 47 2.488 8.299 -1.327 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.544 6.794 -1.545 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.999 9.042 -2.552 1.00 0.00 C ATOM 0 H VAL A 47 0.558 8.692 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 47 0.683 8.145 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 47 3.135 8.545 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.566 6.499 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.221 6.283 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.885 6.521 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.014 8.716 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.352 8.829 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.998 10.114 -2.354 1.00 0.00 H new ATOM 669 N HIS A 48 1.224 10.464 0.713 1.00 0.00 N ATOM 670 CA HIS A 48 1.258 11.827 1.230 1.00 0.00 C ATOM 671 C HIS A 48 2.622 12.145 1.835 1.00 0.00 C ATOM 672 O HIS A 48 3.002 11.586 2.865 1.00 0.00 O ATOM 673 CB HIS A 48 0.163 12.026 2.278 1.00 0.00 C ATOM 674 CG HIS A 48 -1.222 12.002 1.710 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.968 13.142 1.498 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.996 10.968 1.306 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.142 12.810 0.991 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.184 11.496 0.864 1.00 0.00 N ATOM 0 H HIS A 48 1.327 9.741 1.425 1.00 0.00 H new ATOM 0 HA HIS A 48 1.081 12.509 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.250 11.246 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.323 12.979 2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.729 9.922 1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.933 13.496 0.726 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.971 10.961 0.497 1.00 0.00 H new ATOM 687 N THR A 49 3.357 13.044 1.188 1.00 0.00 N ATOM 688 CA THR A 49 4.679 13.434 1.661 1.00 0.00 C ATOM 689 C THR A 49 4.586 14.242 2.950 1.00 0.00 C ATOM 690 O THR A 49 3.617 14.963 3.190 1.00 0.00 O ATOM 691 CB THR A 49 5.432 14.263 0.603 1.00 0.00 C ATOM 692 OG1 THR A 49 4.760 15.509 0.386 1.00 0.00 O ATOM 693 CG2 THR A 49 5.533 13.500 -0.710 1.00 0.00 C ATOM 0 H THR A 49 3.059 13.516 0.334 1.00 0.00 H new ATOM 0 HA THR A 49 5.230 12.513 1.851 1.00 0.00 H new ATOM 0 HB THR A 49 6.439 14.454 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.371 16.249 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.068 14.105 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.071 12.566 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.532 13.282 -1.082 1.00 0.00 H new ATOM 701 N PRO A 50 5.616 14.123 3.800 1.00 0.00 N ATOM 702 CA PRO A 50 5.674 14.836 5.079 1.00 0.00 C ATOM 703 C PRO A 50 5.871 16.337 4.897 1.00 0.00 C ATOM 704 O PRO A 50 5.775 17.106 5.854 1.00 0.00 O ATOM 705 CB PRO A 50 6.888 14.218 5.776 1.00 0.00 C ATOM 706 CG PRO A 50 7.746 13.716 4.667 1.00 0.00 C ATOM 707 CD PRO A 50 6.804 13.282 3.578 1.00 0.00 C ATOM 0 HA PRO A 50 4.746 14.737 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.415 14.955 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.592 13.410 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.420 14.495 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.367 12.884 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.232 13.444 2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.565 12.221 3.652 1.00 0.00 H new ATOM 715 N SER A 51 6.147 16.748 3.664 1.00 0.00 N ATOM 716 CA SER A 51 6.362 18.158 3.357 1.00 0.00 C ATOM 717 C SER A 51 5.031 18.893 3.225 1.00 0.00 C ATOM 718 O SER A 51 4.787 19.885 3.910 1.00 0.00 O ATOM 719 CB SER A 51 7.169 18.303 2.066 1.00 0.00 C ATOM 720 OG SER A 51 6.669 17.448 1.053 1.00 0.00 O ATOM 0 H SER A 51 6.227 16.125 2.861 1.00 0.00 H new ATOM 0 HA SER A 51 6.923 18.603 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.131 19.337 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.216 18.069 2.260 1.00 0.00 H new ATOM 0 HG SER A 51 7.201 17.561 0.238 1.00 0.00 H new ATOM 726 N GLY A 52 4.174 18.398 2.337 1.00 0.00 N ATOM 727 CA GLY A 52 2.879 19.020 2.130 1.00 0.00 C ATOM 728 C GLY A 52 2.438 18.970 0.681 1.00 0.00 C ATOM 729 O GLY A 52 1.766 19.881 0.198 1.00 0.00 O ATOM 0 H GLY A 52 4.353 17.578 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.136 18.520 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.921 20.059 2.458 1.00 0.00 H new ATOM 733 N ALA A 53 2.817 17.903 -0.016 1.00 0.00 N ATOM 734 CA ALA A 53 2.455 17.738 -1.418 1.00 0.00 C ATOM 735 C ALA A 53 1.807 16.380 -1.661 1.00 0.00 C ATOM 736 O ALA A 53 2.365 15.341 -1.307 1.00 0.00 O ATOM 737 CB ALA A 53 3.682 17.905 -2.302 1.00 0.00 C ATOM 0 H ALA A 53 3.375 17.140 0.368 1.00 0.00 H new ATOM 0 HA ALA A 53 1.728 18.509 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.398 17.779 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.102 18.900 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.427 17.155 -2.036 1.00 0.00 H new ATOM 743 N VAL A 54 0.624 16.394 -2.267 1.00 0.00 N ATOM 744 CA VAL A 54 -0.101 15.163 -2.558 1.00 0.00 C ATOM 745 C VAL A 54 0.477 14.461 -3.782 1.00 0.00 C ATOM 746 O VAL A 54 0.248 14.881 -4.916 1.00 0.00 O ATOM 747 CB VAL A 54 -1.598 15.436 -2.796 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.305 14.171 -3.258 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.246 15.989 -1.535 1.00 0.00 C ATOM 0 H VAL A 54 0.147 17.245 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 54 0.009 14.518 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.692 16.184 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.362 14.384 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.857 13.823 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.204 13.399 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.304 16.176 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.142 15.266 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.757 16.921 -1.253 1.00 0.00 H new ATOM 759 N GLU A 55 1.226 13.389 -3.543 1.00 0.00 N ATOM 760 CA GLU A 55 1.837 12.629 -4.627 1.00 0.00 C ATOM 761 C GLU A 55 0.849 11.623 -5.211 1.00 0.00 C ATOM 762 O GLU A 55 -0.263 11.468 -4.709 1.00 0.00 O ATOM 763 CB GLU A 55 3.087 11.901 -4.128 1.00 0.00 C ATOM 764 CG GLU A 55 4.343 12.756 -4.159 1.00 0.00 C ATOM 765 CD GLU A 55 5.011 12.760 -5.521 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.956 11.721 -6.211 1.00 0.00 O ATOM 767 OE2 GLU A 55 5.590 13.802 -5.895 1.00 0.00 O ATOM 0 H GLU A 55 1.424 13.028 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 55 2.122 13.330 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.915 11.560 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.248 11.012 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.089 13.779 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.048 12.387 -3.414 1.00 0.00 H new ATOM 774 N GLU A 56 1.265 10.944 -6.275 1.00 0.00 N ATOM 775 CA GLU A 56 0.415 9.954 -6.929 1.00 0.00 C ATOM 776 C GLU A 56 1.174 8.650 -7.153 1.00 0.00 C ATOM 777 O GLU A 56 2.397 8.647 -7.297 1.00 0.00 O ATOM 778 CB GLU A 56 -0.100 10.494 -8.264 1.00 0.00 C ATOM 779 CG GLU A 56 1.006 10.857 -9.241 1.00 0.00 C ATOM 780 CD GLU A 56 1.559 12.249 -9.005 1.00 0.00 C ATOM 781 OE1 GLU A 56 2.269 12.441 -7.995 1.00 0.00 O ATOM 782 OE2 GLU A 56 1.283 13.146 -9.828 1.00 0.00 O ATOM 0 H GLU A 56 2.184 11.060 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.434 9.752 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.748 9.747 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.713 11.376 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.814 10.130 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.623 10.790 -10.259 1.00 0.00 H new ATOM 789 N CYS A 57 0.440 7.543 -7.181 1.00 0.00 N ATOM 790 CA CYS A 57 1.043 6.231 -7.386 1.00 0.00 C ATOM 791 C CYS A 57 0.731 5.702 -8.783 1.00 0.00 C ATOM 792 O CYS A 57 0.114 6.391 -9.595 1.00 0.00 O ATOM 793 CB CYS A 57 0.540 5.245 -6.331 1.00 0.00 C ATOM 794 SG CYS A 57 0.813 5.785 -4.627 1.00 0.00 S ATOM 0 H CYS A 57 -0.573 7.528 -7.064 1.00 0.00 H new ATOM 0 HA CYS A 57 2.124 6.336 -7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.527 5.080 -6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.035 4.285 -6.481 1.00 0.00 H new ATOM 0 HG CYS A 57 1.878 5.209 -4.155 1.00 0.00 H new ATOM 800 N TYR A 58 1.163 4.476 -9.055 1.00 0.00 N ATOM 801 CA TYR A 58 0.935 3.856 -10.355 1.00 0.00 C ATOM 802 C TYR A 58 0.214 2.520 -10.202 1.00 0.00 C ATOM 803 O TYR A 58 0.775 1.554 -9.685 1.00 0.00 O ATOM 804 CB TYR A 58 2.262 3.651 -11.086 1.00 0.00 C ATOM 805 CG TYR A 58 2.100 3.265 -12.539 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.964 4.234 -13.525 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.082 1.930 -12.926 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.815 3.886 -14.854 1.00 0.00 C ATOM 809 CE2 TYR A 58 1.935 1.573 -14.252 1.00 0.00 C ATOM 810 CZ TYR A 58 1.801 2.554 -15.212 1.00 0.00 C ATOM 811 OH TYR A 58 1.654 2.203 -16.534 1.00 0.00 O ATOM 0 H TYR A 58 1.673 3.892 -8.393 1.00 0.00 H new ATOM 0 HA TYR A 58 0.304 4.524 -10.942 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.846 4.569 -11.026 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.833 2.876 -10.574 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.975 5.278 -13.248 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.185 1.159 -12.177 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.710 4.652 -15.608 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.925 0.531 -14.536 1.00 0.00 H new ATOM 0 HH TYR A 58 1.666 1.227 -16.616 1.00 0.00 H new ATOM 821 N VAL A 59 -1.035 2.473 -10.656 1.00 0.00 N ATOM 822 CA VAL A 59 -1.834 1.257 -10.572 1.00 0.00 C ATOM 823 C VAL A 59 -2.497 0.942 -11.908 1.00 0.00 C ATOM 824 O VAL A 59 -3.283 1.735 -12.425 1.00 0.00 O ATOM 825 CB VAL A 59 -2.921 1.373 -9.487 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.557 2.754 -9.514 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.973 0.289 -9.669 1.00 0.00 C ATOM 0 H VAL A 59 -1.515 3.264 -11.086 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.153 0.448 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.453 1.234 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.323 2.817 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.793 3.510 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.012 2.926 -10.490 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.733 0.386 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.438 0.395 -10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.502 -0.691 -9.595 1.00 0.00 H new ATOM 917 N LYS A 66 -6.335 -8.764 -8.764 1.00 0.00 N ATOM 918 CA LYS A 66 -5.381 -8.103 -7.881 1.00 0.00 C ATOM 919 C LYS A 66 -4.820 -6.843 -8.532 1.00 0.00 C ATOM 920 O LYS A 66 -4.622 -6.795 -9.747 1.00 0.00 O ATOM 921 CB LYS A 66 -4.239 -9.057 -7.523 1.00 0.00 C ATOM 922 CG LYS A 66 -3.260 -8.482 -6.514 1.00 0.00 C ATOM 923 CD LYS A 66 -2.485 -9.578 -5.802 1.00 0.00 C ATOM 924 CE LYS A 66 -1.565 -10.321 -6.759 1.00 0.00 C ATOM 925 NZ LYS A 66 -0.816 -11.411 -6.074 1.00 0.00 N ATOM 0 HA LYS A 66 -5.906 -7.817 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.659 -9.980 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.698 -9.320 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.564 -7.814 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.801 -7.883 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.897 -9.143 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.182 -10.281 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.153 -10.741 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.859 -9.619 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.200 -11.893 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.235 -11.007 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.489 -12.095 -5.672 1.00 0.00 H new ATOM 939 N HIS A 67 -4.564 -5.824 -7.717 1.00 0.00 N ATOM 940 CA HIS A 67 -4.023 -4.564 -8.214 1.00 0.00 C ATOM 941 C HIS A 67 -2.587 -4.365 -7.741 1.00 0.00 C ATOM 942 O HIS A 67 -2.220 -4.782 -6.642 1.00 0.00 O ATOM 943 CB HIS A 67 -4.892 -3.394 -7.752 1.00 0.00 C ATOM 944 CG HIS A 67 -6.204 -3.302 -8.468 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.315 -2.935 -9.792 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.466 -3.535 -8.036 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.588 -2.943 -10.144 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.308 -3.304 -9.097 1.00 0.00 N ATOM 0 H HIS A 67 -4.723 -5.847 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.026 -4.600 -9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.077 -3.490 -6.682 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.342 -2.464 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.757 -3.845 -7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.975 -2.696 -11.122 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.324 -3.396 -9.079 1.00 0.00 H new ATOM 957 N THR A 68 -1.776 -3.727 -8.579 1.00 0.00 N ATOM 958 CA THR A 68 -0.379 -3.474 -8.248 1.00 0.00 C ATOM 959 C THR A 68 -0.098 -1.979 -8.152 1.00 0.00 C ATOM 960 O THR A 68 -0.631 -1.187 -8.930 1.00 0.00 O ATOM 961 CB THR A 68 0.567 -4.097 -9.292 1.00 0.00 C ATOM 962 OG1 THR A 68 0.202 -5.460 -9.532 1.00 0.00 O ATOM 963 CG2 THR A 68 2.012 -4.029 -8.820 1.00 0.00 C ATOM 0 H THR A 68 -2.063 -3.376 -9.493 1.00 0.00 H new ATOM 0 HA THR A 68 -0.195 -3.938 -7.279 1.00 0.00 H new ATOM 0 HB THR A 68 0.476 -3.529 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.807 -5.848 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.662 -4.475 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.296 -2.988 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.115 -4.576 -7.883 1.00 0.00 H new ATOM 971 N ILE A 69 0.741 -1.600 -7.194 1.00 0.00 N ATOM 972 CA ILE A 69 1.093 -0.199 -6.999 1.00 0.00 C ATOM 973 C ILE A 69 2.595 0.016 -7.147 1.00 0.00 C ATOM 974 O ILE A 69 3.391 -0.884 -6.878 1.00 0.00 O ATOM 975 CB ILE A 69 0.648 0.306 -5.613 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.655 -0.377 -5.192 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.478 1.818 -5.629 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.707 -0.395 -6.279 1.00 0.00 C ATOM 0 H ILE A 69 1.189 -2.243 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 69 0.569 0.368 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 69 1.420 0.055 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.438 -1.402 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.057 0.134 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.163 2.159 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.426 2.288 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.278 2.091 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.603 -0.894 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.953 0.628 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.324 -0.932 -7.147 1.00 0.00 H new ATOM 990 N ARG A 70 2.977 1.215 -7.574 1.00 0.00 N ATOM 991 CA ARG A 70 4.384 1.549 -7.757 1.00 0.00 C ATOM 992 C ARG A 70 4.634 3.028 -7.473 1.00 0.00 C ATOM 993 O ARG A 70 4.040 3.901 -8.107 1.00 0.00 O ATOM 994 CB ARG A 70 4.830 1.210 -9.180 1.00 0.00 C ATOM 995 CG ARG A 70 6.318 0.924 -9.301 1.00 0.00 C ATOM 996 CD ARG A 70 6.639 0.176 -10.585 1.00 0.00 C ATOM 997 NE ARG A 70 6.331 0.968 -11.772 1.00 0.00 N ATOM 998 CZ ARG A 70 6.523 0.537 -13.014 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.019 -0.673 -13.230 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.217 1.317 -14.043 1.00 0.00 N ATOM 0 H ARG A 70 2.331 1.972 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 70 4.966 0.958 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.272 0.341 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.573 2.039 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.873 1.862 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.647 0.336 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.695 -0.093 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.073 -0.755 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 70 5.947 1.904 -11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.254 -1.276 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.165 -1.001 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.834 2.248 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.365 0.985 -14.996 1.00 0.00 H new ATOM 1014 N PHE A 71 5.515 3.301 -6.517 1.00 0.00 N ATOM 1015 CA PHE A 71 5.842 4.673 -6.148 1.00 0.00 C ATOM 1016 C PHE A 71 7.182 4.736 -5.421 1.00 0.00 C ATOM 1017 O PHE A 71 7.537 3.826 -4.672 1.00 0.00 O ATOM 1018 CB PHE A 71 4.741 5.262 -5.264 1.00 0.00 C ATOM 1019 CG PHE A 71 4.400 4.404 -4.080 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.281 4.284 -3.017 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.198 3.716 -4.029 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.970 3.495 -1.926 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.882 2.926 -2.940 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.769 2.814 -1.888 1.00 0.00 C ATOM 0 H PHE A 71 6.016 2.590 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 71 5.917 5.261 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.055 6.245 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.844 5.411 -5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.222 4.814 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.500 3.798 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.665 3.411 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.941 2.396 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.524 2.195 -1.037 1.00 0.00 H new ATOM 1034 N ILE A 72 7.922 5.817 -5.649 1.00 0.00 N ATOM 1035 CA ILE A 72 9.222 5.999 -5.016 1.00 0.00 C ATOM 1036 C ILE A 72 9.202 7.179 -4.051 1.00 0.00 C ATOM 1037 O ILE A 72 8.830 8.297 -4.405 1.00 0.00 O ATOM 1038 CB ILE A 72 10.330 6.224 -6.062 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.624 4.924 -6.814 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.591 6.751 -5.392 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.419 5.128 -8.084 1.00 0.00 C ATOM 0 H ILE A 72 7.643 6.579 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 72 9.436 5.084 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 72 9.985 6.967 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.172 4.249 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.682 4.435 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.365 6.905 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.372 7.697 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.940 6.028 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.590 4.165 -8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.864 5.777 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.377 5.589 -7.843 1.00 0.00 H new ATOM 1053 N PRO A 73 9.615 6.927 -2.800 1.00 0.00 N ATOM 1054 CA PRO A 73 9.657 7.956 -1.757 1.00 0.00 C ATOM 1055 C PRO A 73 10.744 8.995 -2.011 1.00 0.00 C ATOM 1056 O PRO A 73 11.934 8.711 -1.864 1.00 0.00 O ATOM 1057 CB PRO A 73 9.963 7.161 -0.485 1.00 0.00 C ATOM 1058 CG PRO A 73 10.668 5.938 -0.964 1.00 0.00 C ATOM 1059 CD PRO A 73 10.073 5.617 -2.307 1.00 0.00 C ATOM 0 HA PRO A 73 8.728 8.524 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.587 7.735 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.049 6.907 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.741 6.112 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.530 5.110 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.809 5.171 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.249 4.909 -2.222 1.00 0.00 H new ATOM 1067 N HIS A 74 10.329 10.199 -2.391 1.00 0.00 N ATOM 1068 CA HIS A 74 11.269 11.280 -2.665 1.00 0.00 C ATOM 1069 C HIS A 74 12.025 11.675 -1.400 1.00 0.00 C ATOM 1070 O HIS A 74 13.255 11.705 -1.385 1.00 0.00 O ATOM 1071 CB HIS A 74 10.531 12.494 -3.232 1.00 0.00 C ATOM 1072 CG HIS A 74 10.268 12.401 -4.703 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.845 11.243 -5.321 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.370 13.331 -5.681 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.699 11.464 -6.615 1.00 0.00 C ATOM 1076 NE2 HIS A 74 10.011 12.724 -6.860 1.00 0.00 N ATOM 0 H HIS A 74 9.348 10.451 -2.516 1.00 0.00 H new ATOM 0 HA HIS A 74 11.989 10.925 -3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.582 12.609 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.117 13.391 -3.032 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.672 10.354 -4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.677 14.359 -5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.379 10.738 -7.348 1.00 0.00 H new ATOM 1085 N GLU A 75 11.280 11.979 -0.341 1.00 0.00 N ATOM 1086 CA GLU A 75 11.882 12.373 0.927 1.00 0.00 C ATOM 1087 C GLU A 75 11.593 11.339 2.012 1.00 0.00 C ATOM 1088 O GLU A 75 10.483 10.817 2.106 1.00 0.00 O ATOM 1089 CB GLU A 75 11.357 13.744 1.362 1.00 0.00 C ATOM 1090 CG GLU A 75 11.711 14.105 2.794 1.00 0.00 C ATOM 1091 CD GLU A 75 13.176 14.461 2.961 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.541 15.622 2.681 1.00 0.00 O ATOM 1093 OE2 GLU A 75 13.957 13.577 3.372 1.00 0.00 O ATOM 0 H GLU A 75 10.260 11.960 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 75 12.961 12.433 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.759 14.506 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.273 13.761 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.098 14.947 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.468 13.267 3.447 1.00 0.00 H new ATOM 1100 N ASN A 76 12.601 11.049 2.827 1.00 0.00 N ATOM 1101 CA ASN A 76 12.457 10.076 3.904 1.00 0.00 C ATOM 1102 C ASN A 76 11.254 10.410 4.781 1.00 0.00 C ATOM 1103 O ASN A 76 10.528 11.368 4.519 1.00 0.00 O ATOM 1104 CB ASN A 76 13.728 10.035 4.756 1.00 0.00 C ATOM 1105 CG ASN A 76 14.742 9.036 4.234 1.00 0.00 C ATOM 1106 OD1 ASN A 76 15.897 9.381 3.982 1.00 0.00 O ATOM 1107 ND2 ASN A 76 14.314 7.790 4.068 1.00 0.00 N ATOM 0 H ASN A 76 13.526 11.473 2.763 1.00 0.00 H new ATOM 0 HA ASN A 76 12.297 9.096 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.179 11.027 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.466 9.780 5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.951 7.074 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.348 7.549 4.290 1.00 0.00 H new ATOM 1114 N GLY A 77 11.050 9.612 5.825 1.00 0.00 N ATOM 1115 CA GLY A 77 9.935 9.840 6.726 1.00 0.00 C ATOM 1116 C GLY A 77 8.769 8.910 6.451 1.00 0.00 C ATOM 1117 O GLY A 77 8.669 8.330 5.370 1.00 0.00 O ATOM 0 H GLY A 77 11.637 8.812 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.269 9.705 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.602 10.874 6.633 1.00 0.00 H new ATOM 1121 N VAL A 78 7.885 8.766 7.433 1.00 0.00 N ATOM 1122 CA VAL A 78 6.721 7.900 7.293 1.00 0.00 C ATOM 1123 C VAL A 78 5.661 8.543 6.406 1.00 0.00 C ATOM 1124 O VAL A 78 5.160 9.628 6.706 1.00 0.00 O ATOM 1125 CB VAL A 78 6.098 7.570 8.662 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.851 6.716 8.491 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.113 6.873 9.555 1.00 0.00 C ATOM 0 H VAL A 78 7.953 9.238 8.335 1.00 0.00 H new ATOM 0 HA VAL A 78 7.068 6.977 6.829 1.00 0.00 H new ATOM 0 HB VAL A 78 5.806 8.504 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.425 6.493 9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.119 7.257 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.114 5.785 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.656 6.647 10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.438 5.947 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.973 7.525 9.706 1.00 0.00 H new ATOM 1137 N HIS A 79 5.321 7.867 5.313 1.00 0.00 N ATOM 1138 CA HIS A 79 4.319 8.373 4.382 1.00 0.00 C ATOM 1139 C HIS A 79 2.957 7.740 4.654 1.00 0.00 C ATOM 1140 O HIS A 79 2.859 6.732 5.353 1.00 0.00 O ATOM 1141 CB HIS A 79 4.745 8.095 2.940 1.00 0.00 C ATOM 1142 CG HIS A 79 6.074 8.685 2.584 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.037 8.992 3.523 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.600 9.023 1.384 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.097 9.494 2.915 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.857 9.524 1.616 1.00 0.00 N ATOM 0 H HIS A 79 5.725 6.968 5.051 1.00 0.00 H new ATOM 0 HA HIS A 79 4.235 9.450 4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.781 7.017 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.988 8.491 2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.120 8.918 0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.005 9.824 3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.501 9.864 0.902 1.00 0.00 H new ATOM 1155 N SER A 80 1.910 8.340 4.097 1.00 0.00 N ATOM 1156 CA SER A 80 0.553 7.838 4.284 1.00 0.00 C ATOM 1157 C SER A 80 -0.029 7.344 2.963 1.00 0.00 C ATOM 1158 O SER A 80 -0.266 8.129 2.044 1.00 0.00 O ATOM 1159 CB SER A 80 -0.342 8.931 4.872 1.00 0.00 C ATOM 1160 OG SER A 80 -0.309 8.908 6.288 1.00 0.00 O ATOM 0 H SER A 80 1.975 9.174 3.513 1.00 0.00 H new ATOM 0 HA SER A 80 0.594 7.000 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.014 9.907 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.366 8.792 4.526 1.00 0.00 H new ATOM 0 HG SER A 80 -0.887 9.617 6.640 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.258 6.038 2.876 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.814 5.439 1.669 1.00 0.00 C ATOM 1168 C ILE A 81 -2.332 5.326 1.760 1.00 0.00 C ATOM 1169 O ILE A 81 -2.859 4.499 2.505 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.220 4.041 1.410 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.270 4.024 1.754 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.439 3.634 -0.040 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.105 4.925 0.871 1.00 0.00 C ATOM 0 H ILE A 81 -0.067 5.375 3.627 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.551 6.096 0.840 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.729 3.321 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.398 4.327 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.642 3.003 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.014 2.644 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.508 3.611 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.048 4.354 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.151 4.862 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.007 4.609 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.760 5.954 0.971 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.028 6.160 0.996 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.487 6.152 0.988 1.00 0.00 C ATOM 1187 C ASP A 82 -5.019 5.102 0.018 1.00 0.00 C ATOM 1188 O ASP A 82 -4.966 5.281 -1.198 1.00 0.00 O ATOM 1189 CB ASP A 82 -5.023 7.533 0.609 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.523 7.530 0.383 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.243 6.910 1.194 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.976 8.146 -0.604 1.00 0.00 O ATOM 0 H ASP A 82 -2.606 6.850 0.374 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.830 5.900 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.779 8.244 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.523 7.878 -0.296 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.531 4.004 0.565 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.073 2.924 -0.251 1.00 0.00 C ATOM 1199 C VAL A 83 -7.593 2.867 -0.148 1.00 0.00 C ATOM 1200 O VAL A 83 -8.142 2.471 0.881 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.490 1.560 0.163 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.213 0.430 -0.553 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -3.996 1.512 -0.121 1.00 0.00 C ATOM 0 H VAL A 83 -5.582 3.839 1.570 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.789 3.134 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.638 1.432 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.787 -0.526 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.272 0.454 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.099 0.550 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.600 0.541 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.823 1.662 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.493 2.298 0.443 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.269 3.264 -1.220 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.727 3.257 -1.253 1.00 0.00 C ATOM 1215 C LYS A 84 -10.243 2.250 -2.276 1.00 0.00 C ATOM 1216 O LYS A 84 -9.620 2.030 -3.315 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.257 4.654 -1.584 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.221 5.613 -0.407 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.806 6.967 -0.773 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.248 7.735 0.463 1.00 0.00 C ATOM 1221 NZ LYS A 84 -12.447 7.121 1.098 1.00 0.00 N ATOM 0 H LYS A 84 -7.830 3.595 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.087 2.963 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.669 5.072 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.283 4.569 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.779 5.188 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.192 5.739 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.064 7.550 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.657 6.829 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.431 7.765 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.470 8.767 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.727 7.683 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.230 7.100 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.223 6.151 1.398 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.386 1.641 -1.975 1.00 0.00 N ATOM 1236 CA PHE A 85 -11.986 0.658 -2.869 1.00 0.00 C ATOM 1237 C PHE A 85 -13.476 0.929 -3.054 1.00 0.00 C ATOM 1238 O PHE A 85 -14.291 0.591 -2.197 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.778 -0.755 -2.320 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.010 -1.834 -3.339 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.447 -1.745 -4.602 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -12.791 -2.937 -3.034 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.658 -2.737 -5.542 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.005 -3.932 -3.970 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.439 -3.831 -5.226 1.00 0.00 C ATOM 0 H PHE A 85 -11.914 1.811 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.496 0.740 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.761 -0.841 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.451 -0.911 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.836 -0.891 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.238 -3.021 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.212 -2.656 -6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -13.614 -4.788 -3.719 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.607 -4.606 -5.959 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.824 1.543 -4.181 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.215 1.861 -4.479 1.00 0.00 C ATOM 1257 C ASN A 86 -15.824 2.726 -3.379 1.00 0.00 C ATOM 1258 O ASN A 86 -16.901 2.428 -2.865 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.031 0.577 -4.643 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.211 0.757 -5.579 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -18.295 1.160 -5.158 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -17.004 0.457 -6.856 1.00 0.00 N ATOM 0 H ASN A 86 -13.162 1.830 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.240 2.421 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.386 -0.214 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.391 0.252 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.761 0.557 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.088 0.126 -7.160 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.125 3.800 -3.024 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.611 4.692 -1.988 1.00 0.00 C ATOM 1271 C GLY A 87 -15.698 4.015 -0.634 1.00 0.00 C ATOM 1272 O GLY A 87 -16.740 4.053 0.021 1.00 0.00 O ATOM 0 H GLY A 87 -14.231 4.068 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.950 5.556 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.596 5.066 -2.268 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.602 3.393 -0.214 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.559 2.705 1.071 1.00 0.00 C ATOM 1278 C ALA A 88 -13.122 2.524 1.548 1.00 0.00 C ATOM 1279 O ALA A 88 -12.289 1.955 0.842 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.257 1.357 0.971 1.00 0.00 C ATOM 0 H ALA A 88 -13.732 3.351 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.083 3.320 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.217 0.854 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.297 1.507 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.757 0.743 0.222 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.838 3.013 2.752 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.500 2.905 3.324 1.00 0.00 C ATOM 1288 C HIS A 89 -11.222 1.479 3.790 1.00 0.00 C ATOM 1289 O HIS A 89 -11.994 0.905 4.558 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.344 3.876 4.495 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.833 5.225 4.090 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.490 5.525 4.000 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.494 6.356 3.749 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.347 6.783 3.623 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.548 7.309 3.463 1.00 0.00 N ATOM 0 H HIS A 89 -13.515 3.487 3.349 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.778 3.162 2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.308 3.995 4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.662 3.443 5.227 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.727 4.877 4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.566 6.485 3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.408 7.294 3.471 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.115 0.914 3.319 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.736 -0.444 3.688 1.00 0.00 C ATOM 1306 C ILE A 90 -9.223 -0.502 5.123 1.00 0.00 C ATOM 1307 O ILE A 90 -8.674 0.465 5.651 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.653 -1.002 2.745 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.334 -0.253 2.948 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.108 -0.901 1.297 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.113 -1.075 2.602 1.00 0.00 C ATOM 0 H ILE A 90 -9.466 1.375 2.682 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.634 -1.056 3.601 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.492 -2.054 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.340 0.649 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.264 0.067 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.332 -1.299 0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.025 -1.475 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.293 0.143 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.215 -0.481 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.083 -1.964 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.160 -1.373 1.555 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.404 -1.662 5.770 1.00 0.00 N ATOM 1324 CA PRO A 91 -8.965 -1.875 7.152 1.00 0.00 C ATOM 1325 C PRO A 91 -7.446 -1.930 7.276 1.00 0.00 C ATOM 1326 O PRO A 91 -6.821 -2.930 6.924 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.581 -3.228 7.516 1.00 0.00 C ATOM 1328 CG PRO A 91 -9.752 -3.929 6.213 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.052 -2.857 5.202 1.00 0.00 C ATOM 0 HA PRO A 91 -9.274 -1.061 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.932 -3.791 8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.536 -3.104 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.849 -4.478 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.563 -4.655 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.648 -3.105 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.125 -2.711 5.077 1.00 0.00 H new ATOM 1337 N GLY A 92 -6.858 -0.849 7.779 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.417 -0.796 7.941 1.00 0.00 C ATOM 1339 C GLY A 92 -4.809 0.446 7.320 1.00 0.00 C ATOM 1340 O GLY A 92 -3.679 0.817 7.636 1.00 0.00 O ATOM 0 H GLY A 92 -7.354 -0.009 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.173 -0.824 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.971 -1.681 7.487 1.00 0.00 H new ATOM 1344 N SER A 93 -5.560 1.090 6.432 1.00 0.00 N ATOM 1345 CA SER A 93 -5.087 2.295 5.761 1.00 0.00 C ATOM 1346 C SER A 93 -5.427 3.540 6.575 1.00 0.00 C ATOM 1347 O SER A 93 -6.390 3.568 7.341 1.00 0.00 O ATOM 1348 CB SER A 93 -5.702 2.401 4.364 1.00 0.00 C ATOM 1349 OG SER A 93 -5.871 3.756 3.983 1.00 0.00 O ATOM 0 H SER A 93 -6.499 0.797 6.161 1.00 0.00 H new ATOM 0 HA SER A 93 -4.003 2.228 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.062 1.894 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.666 1.892 4.348 1.00 0.00 H new ATOM 0 HG SER A 93 -6.640 3.833 3.380 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.618 4.596 6.406 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.467 4.574 5.497 1.00 0.00 C ATOM 1357 C PRO A 94 -2.347 3.671 6.002 1.00 0.00 C ATOM 1358 O PRO A 94 -2.088 3.598 7.204 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.008 6.034 5.472 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.476 6.601 6.768 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.762 5.892 7.090 1.00 0.00 C ATOM 0 HA PRO A 94 -3.729 4.179 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.925 6.107 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.439 6.570 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.736 6.443 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.633 7.677 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.893 5.767 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.628 6.445 6.725 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.684 2.986 5.077 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.590 2.087 5.428 1.00 0.00 C ATOM 1371 C PHE A 95 0.680 2.872 5.742 1.00 0.00 C ATOM 1372 O PHE A 95 1.344 3.386 4.841 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.326 1.101 4.289 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.351 0.008 4.191 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.542 -0.877 5.240 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.124 -0.135 3.050 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.485 -1.883 5.154 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.069 -1.139 2.958 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.249 -2.015 4.011 1.00 0.00 C ATOM 0 H PHE A 95 -1.885 3.036 4.078 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.882 1.531 6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.298 1.647 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.658 0.653 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.946 -0.779 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.986 0.546 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.625 -2.565 5.979 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.666 -1.239 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.986 -2.802 3.941 1.00 0.00 H new ATOM 1389 N LYS A 96 1.011 2.962 7.025 1.00 0.00 N ATOM 1390 CA LYS A 96 2.201 3.684 7.460 1.00 0.00 C ATOM 1391 C LYS A 96 3.468 2.921 7.085 1.00 0.00 C ATOM 1392 O LYS A 96 3.777 1.886 7.677 1.00 0.00 O ATOM 1393 CB LYS A 96 2.160 3.913 8.973 1.00 0.00 C ATOM 1394 CG LYS A 96 1.041 4.839 9.417 1.00 0.00 C ATOM 1395 CD LYS A 96 1.400 6.297 9.188 1.00 0.00 C ATOM 1396 CE LYS A 96 0.469 7.227 9.952 1.00 0.00 C ATOM 1397 NZ LYS A 96 -0.741 7.576 9.157 1.00 0.00 N ATOM 0 H LYS A 96 0.472 2.544 7.783 1.00 0.00 H new ATOM 0 HA LYS A 96 2.215 4.649 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.046 2.952 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.114 4.329 9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.129 4.598 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.831 4.677 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.429 6.473 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.348 6.523 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.166 6.752 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.004 8.139 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.254 8.349 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.455 7.880 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.360 6.744 9.084 1.00 0.00 H new ATOM 1411 N ILE A 97 4.196 3.438 6.102 1.00 0.00 N ATOM 1412 CA ILE A 97 5.429 2.806 5.651 1.00 0.00 C ATOM 1413 C ILE A 97 6.647 3.641 6.034 1.00 0.00 C ATOM 1414 O ILE A 97 6.675 4.852 5.813 1.00 0.00 O ATOM 1415 CB ILE A 97 5.427 2.590 4.126 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.271 3.928 3.400 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.314 1.633 3.728 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.274 3.802 1.893 1.00 0.00 C ATOM 0 H ILE A 97 3.953 4.293 5.602 1.00 0.00 H new ATOM 0 HA ILE A 97 5.486 1.837 6.146 1.00 0.00 H new ATOM 0 HB ILE A 97 6.380 2.149 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.339 4.397 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.080 4.593 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.326 1.491 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.465 0.673 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.352 2.048 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.160 4.789 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.217 3.362 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.448 3.163 1.580 1.00 0.00 H new ATOM 1430 N ARG A 98 7.651 2.986 6.607 1.00 0.00 N ATOM 1431 CA ARG A 98 8.872 3.668 7.019 1.00 0.00 C ATOM 1432 C ARG A 98 9.905 3.660 5.896 1.00 0.00 C ATOM 1433 O ARG A 98 10.301 2.600 5.411 1.00 0.00 O ATOM 1434 CB ARG A 98 9.455 3.004 8.268 1.00 0.00 C ATOM 1435 CG ARG A 98 10.561 3.812 8.927 1.00 0.00 C ATOM 1436 CD ARG A 98 11.093 3.116 10.170 1.00 0.00 C ATOM 1437 NE ARG A 98 11.585 4.069 11.162 1.00 0.00 N ATOM 1438 CZ ARG A 98 12.095 3.712 12.335 1.00 0.00 C ATOM 1439 NH1 ARG A 98 12.179 2.429 12.662 1.00 0.00 N ATOM 1440 NH2 ARG A 98 12.521 4.637 13.185 1.00 0.00 N ATOM 0 H ARG A 98 7.643 1.984 6.797 1.00 0.00 H new ATOM 0 HA ARG A 98 8.620 4.703 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.655 2.842 8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.845 2.022 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.374 3.964 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.183 4.799 9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.303 2.508 10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.898 2.437 9.889 1.00 0.00 H new ATOM 0 HE ARG A 98 11.534 5.064 10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.852 1.715 12.012 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.571 2.157 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.457 5.625 12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.912 4.361 14.085 1.00 0.00 H new ATOM 1454 N VAL A 99 10.337 4.849 5.488 1.00 0.00 N ATOM 1455 CA VAL A 99 11.324 4.979 4.423 1.00 0.00 C ATOM 1456 C VAL A 99 12.675 5.417 4.977 1.00 0.00 C ATOM 1457 O VAL A 99 12.782 6.450 5.637 1.00 0.00 O ATOM 1458 CB VAL A 99 10.867 5.991 3.355 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.948 6.179 2.301 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.562 5.539 2.718 1.00 0.00 C ATOM 0 H VAL A 99 10.019 5.736 5.879 1.00 0.00 H new ATOM 0 HA VAL A 99 11.425 3.996 3.962 1.00 0.00 H new ATOM 0 HB VAL A 99 10.694 6.952 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.608 6.897 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.857 6.551 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.155 5.224 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.254 6.265 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.705 4.567 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.791 5.461 3.484 1.00 0.00 H new