USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -55:sc= 0.442 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.423 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.00473 USER MOD Set 2.2: A 71 THR OG1 : rot 60:sc= 0.274 USER MOD Set 3.1: A 44 SER OG : rot -34:sc= 1.37 USER MOD Set 3.2: A 73 TYR OH : rot -103:sc= 0.292 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 17 SER OG : rot -103:sc= 0.266 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.266 K(o=0.27,f=-2.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -29:sc= 0.102 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0112 K(o=-0.011,f=-0.61) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -178:sc= 0 (180deg=-0.00652) USER MOD Single : A 69 SER OG : rot -49:sc= 0.662 USER MOD Single : A 70 SER OG : rot -46:sc= 0.682 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0322 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -120:sc= 0.119 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.604 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.824 -11.961 -5.739 1.00 0.00 N ATOM 110 CA PRO A 11 -9.164 -11.550 -6.168 1.00 0.00 C ATOM 111 C PRO A 11 -9.122 -10.496 -7.269 1.00 0.00 C ATOM 112 O PRO A 11 -9.952 -10.501 -8.178 1.00 0.00 O ATOM 113 CB PRO A 11 -9.782 -10.969 -4.894 1.00 0.00 C ATOM 114 CG PRO A 11 -8.617 -10.524 -4.077 1.00 0.00 C ATOM 115 CD PRO A 11 -7.506 -11.490 -4.380 1.00 0.00 C ATOM 0 HA PRO A 11 -9.729 -12.380 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.448 -10.136 -5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.374 -11.716 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.328 -9.504 -4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.860 -10.530 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.530 -11.005 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.482 -12.312 -3.665 1.00 0.00 H new ATOM 123 N ARG A 12 -8.151 -9.593 -7.181 1.00 0.00 N ATOM 124 CA ARG A 12 -8.003 -8.532 -8.169 1.00 0.00 C ATOM 125 C ARG A 12 -6.567 -8.017 -8.202 1.00 0.00 C ATOM 126 O ARG A 12 -5.694 -8.533 -7.503 1.00 0.00 O ATOM 127 CB ARG A 12 -8.962 -7.381 -7.862 1.00 0.00 C ATOM 128 CG ARG A 12 -10.319 -7.523 -8.531 1.00 0.00 C ATOM 129 CD ARG A 12 -10.196 -7.524 -10.046 1.00 0.00 C ATOM 130 NE ARG A 12 -11.454 -7.170 -10.698 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.684 -7.343 -11.995 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.745 -7.862 -12.775 1.00 0.00 N ATOM 133 NH2 ARG A 12 -12.854 -6.997 -12.515 1.00 0.00 N ATOM 0 H ARG A 12 -7.455 -9.575 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.246 -8.946 -9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.103 -7.315 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.505 -6.444 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.793 -8.448 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.967 -6.705 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.421 -6.819 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.878 -8.511 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.197 -6.768 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.844 -8.129 -12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.924 -7.994 -13.770 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.579 -6.597 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.029 -7.130 -13.511 1.00 0.00 H new ATOM 147 N HIS A 13 -6.328 -6.996 -9.020 1.00 0.00 N ATOM 148 CA HIS A 13 -4.998 -6.410 -9.144 1.00 0.00 C ATOM 149 C HIS A 13 -4.915 -5.086 -8.390 1.00 0.00 C ATOM 150 O HIS A 13 -5.932 -4.535 -7.967 1.00 0.00 O ATOM 151 CB HIS A 13 -4.648 -6.195 -10.617 1.00 0.00 C ATOM 152 CG HIS A 13 -4.678 -7.453 -11.429 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.842 -8.008 -11.916 1.00 0.00 N ATOM 154 CD2 HIS A 13 -3.676 -8.264 -11.842 1.00 0.00 C ATOM 155 CE1 HIS A 13 -5.556 -9.107 -12.591 1.00 0.00 C ATOM 156 NE2 HIS A 13 -4.247 -9.284 -12.561 1.00 0.00 N ATOM 0 H HIS A 13 -7.038 -6.558 -9.607 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.280 -7.103 -8.705 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.347 -5.478 -11.047 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.654 -5.752 -10.685 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.623 -8.133 -11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.270 -9.751 -13.083 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.743 -10.054 -13.001 1.00 0.00 H new ATOM 165 N LEU A 14 -3.697 -4.581 -8.225 1.00 0.00 N ATOM 166 CA LEU A 14 -3.481 -3.321 -7.522 1.00 0.00 C ATOM 167 C LEU A 14 -3.099 -2.212 -8.497 1.00 0.00 C ATOM 168 O LEU A 14 -2.787 -2.472 -9.658 1.00 0.00 O ATOM 169 CB LEU A 14 -2.387 -3.486 -6.466 1.00 0.00 C ATOM 170 CG LEU A 14 -2.849 -3.968 -5.090 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.653 -4.272 -4.201 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.750 -2.930 -4.437 1.00 0.00 C ATOM 0 H LEU A 14 -2.845 -5.024 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.413 -3.042 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.647 -4.190 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.882 -2.528 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.421 -4.887 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.002 -4.613 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.045 -5.051 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.054 -3.370 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.070 -3.289 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.202 -1.995 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.625 -2.761 -5.065 1.00 0.00 H new ATOM 184 N GLY A 15 -3.125 -0.973 -8.015 1.00 0.00 N ATOM 185 CA GLY A 15 -2.778 0.158 -8.856 1.00 0.00 C ATOM 186 C GLY A 15 -2.182 1.306 -8.066 1.00 0.00 C ATOM 187 O GLY A 15 -2.580 1.560 -6.929 1.00 0.00 O ATOM 0 H GLY A 15 -3.380 -0.732 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.067 -0.164 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.669 0.505 -9.379 1.00 0.00 H new ATOM 191 N PHE A 16 -1.225 2.003 -8.669 1.00 0.00 N ATOM 192 CA PHE A 16 -0.571 3.130 -8.014 1.00 0.00 C ATOM 193 C PHE A 16 -0.723 4.403 -8.841 1.00 0.00 C ATOM 194 O PHE A 16 -0.240 4.484 -9.970 1.00 0.00 O ATOM 195 CB PHE A 16 0.912 2.828 -7.792 1.00 0.00 C ATOM 196 CG PHE A 16 1.156 1.670 -6.866 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.971 1.809 -5.499 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.570 0.445 -7.361 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.194 0.746 -4.644 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.794 -0.622 -6.511 1.00 0.00 C ATOM 201 CZ PHE A 16 1.607 -0.471 -5.151 1.00 0.00 C ATOM 0 H PHE A 16 -0.885 1.807 -9.610 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.052 3.285 -7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.380 2.619 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.399 3.715 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.649 2.759 -5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.720 0.322 -8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.046 0.867 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.115 -1.573 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.783 -1.303 -4.485 1.00 0.00 H new ATOM 211 N SER A 17 -1.400 5.395 -8.271 1.00 0.00 N ATOM 212 CA SER A 17 -1.621 6.663 -8.956 1.00 0.00 C ATOM 213 C SER A 17 -1.318 7.839 -8.033 1.00 0.00 C ATOM 214 O SER A 17 -1.329 7.701 -6.809 1.00 0.00 O ATOM 215 CB SER A 17 -3.064 6.752 -9.457 1.00 0.00 C ATOM 216 OG SER A 17 -3.984 6.650 -8.384 1.00 0.00 O ATOM 0 H SER A 17 -1.805 5.345 -7.336 1.00 0.00 H new ATOM 0 HA SER A 17 -0.944 6.709 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.213 7.697 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.252 5.956 -10.178 1.00 0.00 H new ATOM 0 HG SER A 17 -4.374 5.751 -8.371 1.00 0.00 H new ATOM 222 N ASP A 18 -1.048 8.996 -8.628 1.00 0.00 N ATOM 223 CA ASP A 18 -0.743 10.198 -7.860 1.00 0.00 C ATOM 224 C ASP A 18 0.461 9.971 -6.952 1.00 0.00 C ATOM 225 O ASP A 18 0.585 10.598 -5.900 1.00 0.00 O ATOM 226 CB ASP A 18 -1.955 10.618 -7.027 1.00 0.00 C ATOM 227 CG ASP A 18 -2.000 12.113 -6.783 1.00 0.00 C ATOM 228 OD1 ASP A 18 -1.753 12.877 -7.740 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.281 12.520 -5.636 1.00 0.00 O ATOM 0 H ASP A 18 -1.034 9.127 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.501 10.996 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.867 10.308 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.932 10.097 -6.070 1.00 0.00 H new ATOM 234 N VAL A 19 1.346 9.069 -7.365 1.00 0.00 N ATOM 235 CA VAL A 19 2.541 8.760 -6.588 1.00 0.00 C ATOM 236 C VAL A 19 3.444 9.981 -6.459 1.00 0.00 C ATOM 237 O VAL A 19 3.642 10.724 -7.420 1.00 0.00 O ATOM 238 CB VAL A 19 3.341 7.608 -7.226 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.579 7.296 -6.398 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.467 6.373 -7.379 1.00 0.00 C ATOM 0 H VAL A 19 1.258 8.540 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 19 2.205 8.455 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 19 3.666 7.920 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.132 6.480 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.214 8.181 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.279 7.004 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.048 5.570 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.111 6.056 -6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.615 6.607 -8.017 1.00 0.00 H new ATOM 250 N SER A 20 3.990 10.182 -5.264 1.00 0.00 N ATOM 251 CA SER A 20 4.870 11.316 -5.006 1.00 0.00 C ATOM 252 C SER A 20 6.205 10.848 -4.433 1.00 0.00 C ATOM 253 O SER A 20 6.424 9.653 -4.236 1.00 0.00 O ATOM 254 CB SER A 20 4.203 12.298 -4.041 1.00 0.00 C ATOM 255 OG SER A 20 2.941 12.717 -4.531 1.00 0.00 O ATOM 0 H SER A 20 3.838 9.574 -4.459 1.00 0.00 H new ATOM 0 HA SER A 20 5.058 11.821 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.080 11.827 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.847 13.166 -3.897 1.00 0.00 H new ATOM 0 HG SER A 20 2.535 13.343 -3.895 1.00 0.00 H new ATOM 261 N HIS A 21 7.094 11.800 -4.168 1.00 0.00 N ATOM 262 CA HIS A 21 8.407 11.488 -3.617 1.00 0.00 C ATOM 263 C HIS A 21 8.341 11.351 -2.099 1.00 0.00 C ATOM 264 O HIS A 21 9.305 10.927 -1.461 1.00 0.00 O ATOM 265 CB HIS A 21 9.416 12.571 -3.999 1.00 0.00 C ATOM 266 CG HIS A 21 8.823 13.946 -4.060 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.085 14.400 -5.133 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.861 14.967 -3.173 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.697 15.642 -4.903 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.155 16.009 -3.720 1.00 0.00 N ATOM 0 H HIS A 21 6.928 12.794 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 21 8.732 10.536 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.232 12.568 -3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.849 12.327 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.355 14.963 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.106 16.253 -5.569 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.008 16.919 -3.284 1.00 0.00 H new ATOM 279 N ASP A 22 7.198 11.713 -1.526 1.00 0.00 N ATOM 280 CA ASP A 22 7.006 11.630 -0.083 1.00 0.00 C ATOM 281 C ASP A 22 5.666 10.980 0.250 1.00 0.00 C ATOM 282 O ASP A 22 5.200 11.046 1.387 1.00 0.00 O ATOM 283 CB ASP A 22 7.081 13.023 0.543 1.00 0.00 C ATOM 284 CG ASP A 22 7.415 12.976 2.022 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.971 11.953 2.471 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.120 13.963 2.729 1.00 0.00 O ATOM 0 H ASP A 22 6.391 12.067 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 22 7.802 11.011 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.835 13.612 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.127 13.532 0.405 1.00 0.00 H new ATOM 291 N ALA A 23 5.053 10.355 -0.749 1.00 0.00 N ATOM 292 CA ALA A 23 3.768 9.692 -0.561 1.00 0.00 C ATOM 293 C ALA A 23 3.404 8.847 -1.777 1.00 0.00 C ATOM 294 O ALA A 23 4.072 8.906 -2.809 1.00 0.00 O ATOM 295 CB ALA A 23 2.680 10.720 -0.285 1.00 0.00 C ATOM 0 H ALA A 23 5.425 10.294 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 23 3.851 9.027 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.726 10.212 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.928 11.279 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.606 11.407 -1.128 1.00 0.00 H new ATOM 301 N ALA A 24 2.341 8.059 -1.647 1.00 0.00 N ATOM 302 CA ALA A 24 1.888 7.202 -2.735 1.00 0.00 C ATOM 303 C ALA A 24 0.496 6.647 -2.453 1.00 0.00 C ATOM 304 O ALA A 24 0.263 6.028 -1.415 1.00 0.00 O ATOM 305 CB ALA A 24 2.876 6.067 -2.959 1.00 0.00 C ATOM 0 H ALA A 24 1.778 7.997 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 24 1.833 7.805 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.525 5.435 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.852 6.479 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.960 5.473 -2.049 1.00 0.00 H new ATOM 311 N ARG A 25 -0.425 6.872 -3.384 1.00 0.00 N ATOM 312 CA ARG A 25 -1.795 6.396 -3.234 1.00 0.00 C ATOM 313 C ARG A 25 -1.951 4.996 -3.821 1.00 0.00 C ATOM 314 O ARG A 25 -1.555 4.741 -4.959 1.00 0.00 O ATOM 315 CB ARG A 25 -2.770 7.358 -3.916 1.00 0.00 C ATOM 316 CG ARG A 25 -4.226 7.103 -3.561 1.00 0.00 C ATOM 317 CD ARG A 25 -5.106 8.283 -3.942 1.00 0.00 C ATOM 318 NE ARG A 25 -6.284 8.386 -3.085 1.00 0.00 N ATOM 319 CZ ARG A 25 -7.005 9.494 -2.956 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.670 10.588 -3.625 1.00 0.00 N ATOM 321 NH2 ARG A 25 -8.064 9.509 -2.156 1.00 0.00 N ATOM 0 H ARG A 25 -0.248 7.381 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.023 6.353 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.511 8.380 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.649 7.279 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.575 6.207 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.313 6.913 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.527 9.204 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.421 8.180 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.569 7.562 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.857 10.580 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.225 11.438 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.325 8.669 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.617 10.360 -2.058 1.00 0.00 H new ATOM 335 N VAL A 26 -2.530 4.092 -3.037 1.00 0.00 N ATOM 336 CA VAL A 26 -2.739 2.719 -3.479 1.00 0.00 C ATOM 337 C VAL A 26 -4.225 2.382 -3.544 1.00 0.00 C ATOM 338 O VAL A 26 -4.929 2.433 -2.535 1.00 0.00 O ATOM 339 CB VAL A 26 -2.037 1.716 -2.545 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.293 2.074 -1.088 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.500 0.297 -2.842 1.00 0.00 C ATOM 0 H VAL A 26 -2.863 4.286 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.307 2.639 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.963 1.769 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.789 1.354 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.909 3.074 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.365 2.051 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.994 -0.399 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.577 0.227 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.261 0.045 -3.875 1.00 0.00 H new ATOM 351 N PHE A 27 -4.696 2.037 -4.738 1.00 0.00 N ATOM 352 CA PHE A 27 -6.099 1.693 -4.935 1.00 0.00 C ATOM 353 C PHE A 27 -6.236 0.308 -5.562 1.00 0.00 C ATOM 354 O PHE A 27 -5.367 -0.133 -6.314 1.00 0.00 O ATOM 355 CB PHE A 27 -6.783 2.736 -5.822 1.00 0.00 C ATOM 356 CG PHE A 27 -6.379 2.653 -7.266 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.993 1.751 -8.120 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.385 3.476 -7.769 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.622 1.672 -9.449 1.00 0.00 C ATOM 360 CE2 PHE A 27 -5.010 3.402 -9.098 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.631 2.499 -9.939 1.00 0.00 C ATOM 0 H PHE A 27 -4.127 1.988 -5.583 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.585 1.681 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.863 2.612 -5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.550 3.732 -5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.770 1.103 -7.743 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.897 4.184 -7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.107 0.964 -10.104 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.233 4.049 -9.478 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.342 2.440 -10.978 1.00 0.00 H new ATOM 371 N TRP A 28 -7.332 -0.372 -5.245 1.00 0.00 N ATOM 372 CA TRP A 28 -7.583 -1.707 -5.776 1.00 0.00 C ATOM 373 C TRP A 28 -8.879 -1.739 -6.579 1.00 0.00 C ATOM 374 O TRP A 28 -9.604 -0.747 -6.642 1.00 0.00 O ATOM 375 CB TRP A 28 -7.648 -2.727 -4.639 1.00 0.00 C ATOM 376 CG TRP A 28 -8.296 -2.192 -3.398 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.581 -2.406 -2.986 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.691 -1.352 -2.409 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.811 -1.750 -1.801 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.667 -1.097 -1.425 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.420 -0.792 -2.257 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.409 -0.306 -0.309 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.166 -0.007 -1.148 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.156 0.229 -0.186 1.00 0.00 C ATOM 0 H TRP A 28 -8.061 -0.021 -4.623 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.759 -1.967 -6.441 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.199 -3.604 -4.978 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.638 -3.058 -4.399 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.309 -3.003 -3.514 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.691 -1.749 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.650 -0.969 -2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.171 -0.121 0.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.187 0.432 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.926 0.846 0.670 1.00 0.00 H new ATOM 395 N GLU A 29 -9.164 -2.885 -7.190 1.00 0.00 N ATOM 396 CA GLU A 29 -10.373 -3.043 -7.989 1.00 0.00 C ATOM 397 C GLU A 29 -11.512 -3.610 -7.146 1.00 0.00 C ATOM 398 O GLU A 29 -12.572 -3.955 -7.666 1.00 0.00 O ATOM 399 CB GLU A 29 -10.104 -3.959 -9.185 1.00 0.00 C ATOM 400 CG GLU A 29 -9.636 -3.218 -10.426 1.00 0.00 C ATOM 401 CD GLU A 29 -10.788 -2.693 -11.261 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.698 -2.061 -10.684 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.780 -2.914 -12.490 1.00 0.00 O ATOM 0 H GLU A 29 -8.575 -3.716 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.669 -2.059 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.350 -4.695 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.014 -4.509 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.999 -2.385 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.026 -3.885 -11.034 1.00 0.00 H new ATOM 410 N GLY A 30 -11.283 -3.704 -5.840 1.00 0.00 N ATOM 411 CA GLY A 30 -12.297 -4.230 -4.945 1.00 0.00 C ATOM 412 C GLY A 30 -12.508 -5.721 -5.120 1.00 0.00 C ATOM 413 O GLY A 30 -12.308 -6.259 -6.208 1.00 0.00 O ATOM 0 H GLY A 30 -10.413 -3.425 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.008 -4.026 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.238 -3.710 -5.122 1.00 0.00 H new ATOM 417 N ALA A 31 -12.911 -6.390 -4.044 1.00 0.00 N ATOM 418 CA ALA A 31 -13.148 -7.828 -4.084 1.00 0.00 C ATOM 419 C ALA A 31 -14.618 -8.134 -4.353 1.00 0.00 C ATOM 420 O ALA A 31 -15.510 -7.350 -4.029 1.00 0.00 O ATOM 421 CB ALA A 31 -12.704 -8.472 -2.780 1.00 0.00 C ATOM 0 H ALA A 31 -13.080 -5.959 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.561 -8.246 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.887 -9.546 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.640 -8.291 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.267 -8.042 -1.952 1.00 0.00 H new ATOM 427 N PRO A 32 -14.878 -9.301 -4.962 1.00 0.00 N ATOM 428 CA PRO A 32 -16.239 -9.737 -5.288 1.00 0.00 C ATOM 429 C PRO A 32 -17.048 -10.092 -4.045 1.00 0.00 C ATOM 430 O PRO A 32 -18.240 -10.385 -4.132 1.00 0.00 O ATOM 431 CB PRO A 32 -16.015 -10.979 -6.154 1.00 0.00 C ATOM 432 CG PRO A 32 -14.680 -11.494 -5.739 1.00 0.00 C ATOM 433 CD PRO A 32 -13.864 -10.284 -5.377 1.00 0.00 C ATOM 0 HA PRO A 32 -16.811 -8.952 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.795 -11.722 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.031 -10.730 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.770 -12.172 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.210 -12.055 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.160 -10.500 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.280 -9.925 -6.224 1.00 0.00 H new ATOM 441 N ARG A 33 -16.392 -10.064 -2.890 1.00 0.00 N ATOM 442 CA ARG A 33 -17.050 -10.384 -1.629 1.00 0.00 C ATOM 443 C ARG A 33 -17.021 -9.188 -0.682 1.00 0.00 C ATOM 444 O ARG A 33 -16.170 -8.305 -0.784 1.00 0.00 O ATOM 445 CB ARG A 33 -16.377 -11.588 -0.969 1.00 0.00 C ATOM 446 CG ARG A 33 -14.858 -11.523 -0.987 1.00 0.00 C ATOM 447 CD ARG A 33 -14.290 -12.123 -2.264 1.00 0.00 C ATOM 448 NE ARG A 33 -14.959 -13.370 -2.626 1.00 0.00 N ATOM 449 CZ ARG A 33 -14.831 -14.500 -1.939 1.00 0.00 C ATOM 450 NH1 ARG A 33 -14.064 -14.539 -0.859 1.00 0.00 N ATOM 451 NH2 ARG A 33 -15.472 -15.593 -2.332 1.00 0.00 N ATOM 0 H ARG A 33 -15.405 -9.823 -2.801 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.090 -10.631 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.717 -11.662 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.699 -12.497 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.536 -10.486 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.460 -12.057 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.393 -11.406 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.224 -12.308 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.558 -13.373 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.570 -13.700 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.967 -15.408 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.064 -15.566 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.373 -16.460 -1.804 1.00 0.00 H new ATOM 465 N PRO A 34 -17.974 -9.157 0.262 1.00 0.00 N ATOM 466 CA PRO A 34 -18.079 -8.076 1.246 1.00 0.00 C ATOM 467 C PRO A 34 -16.939 -8.100 2.258 1.00 0.00 C ATOM 468 O PRO A 34 -16.505 -9.166 2.694 1.00 0.00 O ATOM 469 CB PRO A 34 -19.415 -8.354 1.938 1.00 0.00 C ATOM 470 CG PRO A 34 -19.631 -9.819 1.769 1.00 0.00 C ATOM 471 CD PRO A 34 -19.021 -10.176 0.442 1.00 0.00 C ATOM 0 HA PRO A 34 -18.022 -7.093 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.380 -8.078 2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.223 -7.780 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.161 -10.379 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.693 -10.062 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.604 -11.183 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.757 -10.142 -0.361 1.00 0.00 H new ATOM 479 N VAL A 35 -16.457 -6.918 2.629 1.00 0.00 N ATOM 480 CA VAL A 35 -15.368 -6.804 3.592 1.00 0.00 C ATOM 481 C VAL A 35 -15.777 -5.948 4.785 1.00 0.00 C ATOM 482 O VAL A 35 -16.501 -4.963 4.637 1.00 0.00 O ATOM 483 CB VAL A 35 -14.109 -6.196 2.946 1.00 0.00 C ATOM 484 CG1 VAL A 35 -12.963 -6.156 3.945 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.717 -6.981 1.703 1.00 0.00 C ATOM 0 H VAL A 35 -16.804 -6.026 2.277 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.141 -7.814 3.934 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.333 -5.172 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.082 -5.723 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.249 -5.547 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.735 -7.169 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.826 -6.538 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.510 -8.016 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.534 -6.952 0.982 1.00 0.00 H new ATOM 495 N ARG A 36 -15.309 -6.330 5.969 1.00 0.00 N ATOM 496 CA ARG A 36 -15.627 -5.598 7.189 1.00 0.00 C ATOM 497 C ARG A 36 -14.551 -4.560 7.496 1.00 0.00 C ATOM 498 O ARG A 36 -14.849 -3.462 7.967 1.00 0.00 O ATOM 499 CB ARG A 36 -15.769 -6.564 8.367 1.00 0.00 C ATOM 500 CG ARG A 36 -14.527 -7.403 8.619 1.00 0.00 C ATOM 501 CD ARG A 36 -14.661 -8.228 9.889 1.00 0.00 C ATOM 502 NE ARG A 36 -13.510 -9.102 10.099 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.271 -9.742 11.238 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.099 -9.607 12.265 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.201 -10.519 11.352 1.00 0.00 N ATOM 0 H ARG A 36 -14.708 -7.142 6.109 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.574 -5.081 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.001 -5.995 9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.614 -7.227 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.355 -8.065 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.656 -6.752 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.770 -7.561 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.568 -8.830 9.836 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.854 -9.228 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.922 -9.010 12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.913 -10.100 13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.561 -10.625 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.018 -11.010 12.227 1.00 0.00 H new ATOM 519 N LEU A 37 -13.300 -4.915 7.226 1.00 0.00 N ATOM 520 CA LEU A 37 -12.179 -4.015 7.473 1.00 0.00 C ATOM 521 C LEU A 37 -11.086 -4.205 6.426 1.00 0.00 C ATOM 522 O LEU A 37 -11.050 -5.219 5.728 1.00 0.00 O ATOM 523 CB LEU A 37 -11.608 -4.252 8.872 1.00 0.00 C ATOM 524 CG LEU A 37 -10.475 -3.319 9.302 1.00 0.00 C ATOM 525 CD1 LEU A 37 -10.994 -1.903 9.497 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.818 -3.829 10.576 1.00 0.00 C ATOM 0 H LEU A 37 -13.036 -5.820 6.836 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.546 -2.991 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.420 -4.162 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.246 -5.279 8.926 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.724 -3.303 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.174 -1.254 9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.416 -1.538 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.765 -1.901 10.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.014 -3.153 10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.559 -3.876 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.409 -4.824 10.401 1.00 0.00 H new ATOM 538 N VAL A 38 -10.195 -3.225 6.323 1.00 0.00 N ATOM 539 CA VAL A 38 -9.098 -3.286 5.364 1.00 0.00 C ATOM 540 C VAL A 38 -7.815 -2.718 5.959 1.00 0.00 C ATOM 541 O VAL A 38 -7.708 -1.514 6.197 1.00 0.00 O ATOM 542 CB VAL A 38 -9.437 -2.516 4.074 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.222 -2.440 3.162 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.611 -3.167 3.358 1.00 0.00 C ATOM 0 H VAL A 38 -10.211 -2.379 6.892 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.948 -4.338 5.122 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.723 -1.499 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.481 -1.892 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.411 -1.925 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.902 -3.448 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.837 -2.610 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.355 -4.195 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.483 -3.163 4.012 1.00 0.00 H new ATOM 554 N ARG A 39 -6.842 -3.591 6.198 1.00 0.00 N ATOM 555 CA ARG A 39 -5.565 -3.177 6.766 1.00 0.00 C ATOM 556 C ARG A 39 -4.498 -3.065 5.681 1.00 0.00 C ATOM 557 O ARG A 39 -4.348 -3.958 4.848 1.00 0.00 O ATOM 558 CB ARG A 39 -5.114 -4.169 7.839 1.00 0.00 C ATOM 559 CG ARG A 39 -5.539 -3.780 9.246 1.00 0.00 C ATOM 560 CD ARG A 39 -4.946 -4.717 10.287 1.00 0.00 C ATOM 561 NE ARG A 39 -5.817 -5.857 10.557 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.679 -6.654 11.611 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.710 -6.436 12.488 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.512 -7.671 11.788 1.00 0.00 N ATOM 0 H ARG A 39 -6.914 -4.590 6.007 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.700 -2.196 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.520 -5.153 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.028 -4.256 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.223 -2.758 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.627 -3.798 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.976 -5.076 9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.771 -4.167 11.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.573 -6.052 9.901 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.068 -5.655 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.606 -7.049 13.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.259 -7.842 11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.406 -8.283 12.597 1.00 0.00 H new ATOM 578 N VAL A 40 -3.758 -1.960 5.698 1.00 0.00 N ATOM 579 CA VAL A 40 -2.704 -1.731 4.717 1.00 0.00 C ATOM 580 C VAL A 40 -1.352 -1.543 5.396 1.00 0.00 C ATOM 581 O VAL A 40 -1.194 -0.681 6.261 1.00 0.00 O ATOM 582 CB VAL A 40 -3.006 -0.496 3.847 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.885 -0.261 2.846 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.341 -0.659 3.137 1.00 0.00 C ATOM 0 H VAL A 40 -3.869 -1.210 6.380 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.667 -2.615 4.080 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.070 0.378 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.116 0.615 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.949 -0.097 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.786 -1.133 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.539 0.222 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.308 -1.542 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.134 -0.774 3.876 1.00 0.00 H new ATOM 594 N THR A 41 -0.378 -2.356 4.998 1.00 0.00 N ATOM 595 CA THR A 41 0.961 -2.280 5.568 1.00 0.00 C ATOM 596 C THR A 41 2.002 -2.002 4.490 1.00 0.00 C ATOM 597 O THR A 41 2.179 -2.795 3.565 1.00 0.00 O ATOM 598 CB THR A 41 1.333 -3.582 6.302 1.00 0.00 C ATOM 599 OG1 THR A 41 1.125 -4.707 5.441 1.00 0.00 O ATOM 600 CG2 THR A 41 0.505 -3.746 7.568 1.00 0.00 C ATOM 0 H THR A 41 -0.492 -3.075 4.283 1.00 0.00 H new ATOM 0 HA THR A 41 0.954 -1.458 6.283 1.00 0.00 H new ATOM 0 HB THR A 41 2.386 -3.528 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.366 -5.530 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.786 -4.673 8.069 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.688 -2.903 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.553 -3.780 7.309 1.00 0.00 H new ATOM 608 N TYR A 42 2.690 -0.872 4.616 1.00 0.00 N ATOM 609 CA TYR A 42 3.713 -0.489 3.651 1.00 0.00 C ATOM 610 C TYR A 42 5.102 -0.536 4.282 1.00 0.00 C ATOM 611 O TYR A 42 5.258 -0.322 5.484 1.00 0.00 O ATOM 612 CB TYR A 42 3.434 0.914 3.110 1.00 0.00 C ATOM 613 CG TYR A 42 3.171 1.939 4.190 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.909 2.072 4.756 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.185 2.772 4.646 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.665 3.008 5.743 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.950 3.710 5.633 1.00 0.00 C ATOM 618 CZ TYR A 42 2.688 3.824 6.178 1.00 0.00 C ATOM 619 OH TYR A 42 2.449 4.756 7.162 1.00 0.00 O ATOM 0 H TYR A 42 2.557 -0.206 5.377 1.00 0.00 H new ATOM 0 HA TYR A 42 3.684 -1.202 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.285 1.239 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.573 0.872 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.106 1.434 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.174 2.685 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.678 3.100 6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.750 4.350 5.976 1.00 0.00 H new ATOM 0 HH TYR A 42 3.274 5.248 7.354 1.00 0.00 H new ATOM 629 N VAL A 43 6.109 -0.816 3.461 1.00 0.00 N ATOM 630 CA VAL A 43 7.485 -0.890 3.936 1.00 0.00 C ATOM 631 C VAL A 43 8.468 -0.511 2.834 1.00 0.00 C ATOM 632 O VAL A 43 8.254 -0.825 1.663 1.00 0.00 O ATOM 633 CB VAL A 43 7.826 -2.300 4.451 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.782 -3.310 3.314 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.190 -2.305 5.126 1.00 0.00 C ATOM 0 H VAL A 43 5.997 -0.995 2.463 1.00 0.00 H new ATOM 0 HA VAL A 43 7.575 -0.180 4.758 1.00 0.00 H new ATOM 0 HB VAL A 43 7.078 -2.588 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.026 -4.301 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.783 -3.325 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.506 -3.029 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.415 -3.310 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.951 -1.996 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.182 -1.613 5.968 1.00 0.00 H new ATOM 645 N SER A 44 9.546 0.165 3.217 1.00 0.00 N ATOM 646 CA SER A 44 10.561 0.590 2.260 1.00 0.00 C ATOM 647 C SER A 44 11.225 -0.615 1.602 1.00 0.00 C ATOM 648 O SER A 44 11.118 -1.740 2.090 1.00 0.00 O ATOM 649 CB SER A 44 11.618 1.452 2.954 1.00 0.00 C ATOM 650 OG SER A 44 11.017 2.518 3.669 1.00 0.00 O ATOM 0 H SER A 44 9.739 0.430 4.183 1.00 0.00 H new ATOM 0 HA SER A 44 10.071 1.181 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.203 0.836 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.310 1.852 2.213 1.00 0.00 H new ATOM 0 HG SER A 44 10.221 2.826 3.188 1.00 0.00 H new ATOM 714 N SER A 50 8.361 1.104 8.145 1.00 0.00 N ATOM 715 CA SER A 50 7.091 0.568 7.670 1.00 0.00 C ATOM 716 C SER A 50 5.931 1.095 8.509 1.00 0.00 C ATOM 717 O SER A 50 6.121 1.546 9.638 1.00 0.00 O ATOM 718 CB SER A 50 7.111 -0.962 7.711 1.00 0.00 C ATOM 719 OG SER A 50 7.407 -1.433 9.014 1.00 0.00 O ATOM 0 HA SER A 50 6.950 0.895 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.144 -1.350 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.854 -1.338 7.007 1.00 0.00 H new ATOM 0 HG SER A 50 7.962 -0.775 9.481 1.00 0.00 H new ATOM 725 N GLY A 51 4.727 1.033 7.948 1.00 0.00 N ATOM 726 CA GLY A 51 3.553 1.508 8.658 1.00 0.00 C ATOM 727 C GLY A 51 2.350 0.608 8.455 1.00 0.00 C ATOM 728 O GLY A 51 2.401 -0.338 7.670 1.00 0.00 O ATOM 0 H GLY A 51 4.544 0.663 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.778 1.574 9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.311 2.516 8.320 1.00 0.00 H new ATOM 732 N GLN A 52 1.266 0.902 9.165 1.00 0.00 N ATOM 733 CA GLN A 52 0.046 0.111 9.060 1.00 0.00 C ATOM 734 C GLN A 52 -1.188 0.980 9.282 1.00 0.00 C ATOM 735 O GLN A 52 -1.405 1.502 10.376 1.00 0.00 O ATOM 736 CB GLN A 52 0.067 -1.034 10.075 1.00 0.00 C ATOM 737 CG GLN A 52 -1.201 -1.873 10.071 1.00 0.00 C ATOM 738 CD GLN A 52 -1.279 -2.818 11.255 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.349 -2.385 12.405 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.267 -4.116 10.978 1.00 0.00 N ATOM 0 H GLN A 52 1.208 1.682 9.819 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.002 -0.305 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.920 -1.679 9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.217 -0.622 11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.069 -1.213 10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.248 -2.449 9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.208 -4.430 10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.317 -4.799 11.734 1.00 0.00 H new ATOM 749 N THR A 53 -1.994 1.131 8.236 1.00 0.00 N ATOM 750 CA THR A 53 -3.205 1.938 8.315 1.00 0.00 C ATOM 751 C THR A 53 -4.452 1.075 8.161 1.00 0.00 C ATOM 752 O THR A 53 -4.413 0.019 7.531 1.00 0.00 O ATOM 753 CB THR A 53 -3.220 3.038 7.236 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.318 3.929 7.460 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.328 2.430 5.846 1.00 0.00 C ATOM 0 H THR A 53 -1.830 0.705 7.324 1.00 0.00 H new ATOM 0 HA THR A 53 -3.209 2.405 9.300 1.00 0.00 H new ATOM 0 HB THR A 53 -2.284 3.593 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.319 4.626 6.771 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.337 3.225 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.475 1.775 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.250 1.853 5.772 1.00 0.00 H new ATOM 763 N GLU A 54 -5.558 1.532 8.741 1.00 0.00 N ATOM 764 CA GLU A 54 -6.817 0.800 8.667 1.00 0.00 C ATOM 765 C GLU A 54 -7.853 1.578 7.861 1.00 0.00 C ATOM 766 O GLU A 54 -7.949 2.800 7.970 1.00 0.00 O ATOM 767 CB GLU A 54 -7.353 0.521 10.073 1.00 0.00 C ATOM 768 CG GLU A 54 -6.765 -0.726 10.712 1.00 0.00 C ATOM 769 CD GLU A 54 -7.004 -0.782 12.209 1.00 0.00 C ATOM 770 OE1 GLU A 54 -7.147 0.292 12.828 1.00 0.00 O ATOM 771 OE2 GLU A 54 -7.048 -1.902 12.760 1.00 0.00 O ATOM 0 H GLU A 54 -5.607 2.405 9.267 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.628 -0.148 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.142 1.380 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.437 0.418 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.201 -1.609 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.693 -0.759 10.517 1.00 0.00 H new ATOM 778 N ALA A 55 -8.625 0.860 7.052 1.00 0.00 N ATOM 779 CA ALA A 55 -9.655 1.482 6.229 1.00 0.00 C ATOM 780 C ALA A 55 -10.931 0.648 6.224 1.00 0.00 C ATOM 781 O ALA A 55 -10.911 -0.564 6.437 1.00 0.00 O ATOM 782 CB ALA A 55 -9.146 1.680 4.808 1.00 0.00 C ATOM 0 H ALA A 55 -8.557 -0.152 6.949 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.890 2.456 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.925 2.145 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.266 2.323 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.882 0.714 4.378 1.00 0.00 H new ATOM 788 N PRO A 56 -12.071 1.311 5.976 1.00 0.00 N ATOM 789 CA PRO A 56 -13.379 0.650 5.937 1.00 0.00 C ATOM 790 C PRO A 56 -13.531 -0.264 4.726 1.00 0.00 C ATOM 791 O PRO A 56 -12.971 0.000 3.663 1.00 0.00 O ATOM 792 CB PRO A 56 -14.364 1.818 5.853 1.00 0.00 C ATOM 793 CG PRO A 56 -13.585 2.927 5.234 1.00 0.00 C ATOM 794 CD PRO A 56 -12.170 2.756 5.713 1.00 0.00 C ATOM 0 HA PRO A 56 -13.535 0.004 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.234 1.560 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.733 2.096 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.637 2.881 4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.983 3.897 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.450 3.078 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.976 3.342 6.611 1.00 0.00 H new ATOM 802 N GLY A 57 -14.294 -1.339 4.894 1.00 0.00 N ATOM 803 CA GLY A 57 -14.507 -2.275 3.805 1.00 0.00 C ATOM 804 C GLY A 57 -15.047 -1.602 2.559 1.00 0.00 C ATOM 805 O GLY A 57 -15.068 -2.199 1.483 1.00 0.00 O ATOM 0 H GLY A 57 -14.769 -1.579 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.566 -2.771 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.203 -3.049 4.127 1.00 0.00 H new ATOM 809 N ASN A 58 -15.487 -0.357 2.705 1.00 0.00 N ATOM 810 CA ASN A 58 -16.032 0.398 1.582 1.00 0.00 C ATOM 811 C ASN A 58 -14.935 1.185 0.871 1.00 0.00 C ATOM 812 O ASN A 58 -15.057 1.513 -0.308 1.00 0.00 O ATOM 813 CB ASN A 58 -17.128 1.350 2.064 1.00 0.00 C ATOM 814 CG ASN A 58 -18.190 0.641 2.882 1.00 0.00 C ATOM 815 OD1 ASN A 58 -17.957 0.267 4.032 1.00 0.00 O ATOM 816 ND2 ASN A 58 -19.365 0.454 2.292 1.00 0.00 N ATOM 0 H ASN A 58 -15.477 0.151 3.590 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.462 -0.311 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.680 2.142 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.595 1.828 1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.118 -0.016 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.514 0.781 1.337 1.00 0.00 H new ATOM 823 N ALA A 59 -13.864 1.485 1.598 1.00 0.00 N ATOM 824 CA ALA A 59 -12.744 2.231 1.038 1.00 0.00 C ATOM 825 C ALA A 59 -11.995 1.400 0.001 1.00 0.00 C ATOM 826 O ALA A 59 -11.469 0.330 0.309 1.00 0.00 O ATOM 827 CB ALA A 59 -11.799 2.675 2.144 1.00 0.00 C ATOM 0 H ALA A 59 -13.748 1.223 2.577 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.142 3.115 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.967 3.231 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.335 3.313 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.416 1.800 2.669 1.00 0.00 H new ATOM 833 N THR A 60 -11.951 1.899 -1.231 1.00 0.00 N ATOM 834 CA THR A 60 -11.268 1.202 -2.313 1.00 0.00 C ATOM 835 C THR A 60 -9.952 1.887 -2.664 1.00 0.00 C ATOM 836 O THR A 60 -9.356 1.611 -3.705 1.00 0.00 O ATOM 837 CB THR A 60 -12.147 1.128 -3.576 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.758 2.399 -3.823 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.223 0.063 -3.424 1.00 0.00 C ATOM 0 H THR A 60 -12.380 2.783 -1.504 1.00 0.00 H new ATOM 0 HA THR A 60 -11.066 0.191 -1.960 1.00 0.00 H new ATOM 0 HB THR A 60 -11.511 0.862 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.314 2.344 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.831 0.029 -4.328 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.754 -0.908 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.856 0.304 -2.570 1.00 0.00 H new ATOM 847 N SER A 61 -9.504 2.781 -1.788 1.00 0.00 N ATOM 848 CA SER A 61 -8.259 3.507 -2.007 1.00 0.00 C ATOM 849 C SER A 61 -7.768 4.148 -0.712 1.00 0.00 C ATOM 850 O SER A 61 -8.564 4.621 0.099 1.00 0.00 O ATOM 851 CB SER A 61 -8.452 4.581 -3.079 1.00 0.00 C ATOM 852 OG SER A 61 -9.697 5.240 -2.923 1.00 0.00 O ATOM 0 H SER A 61 -9.985 3.020 -0.921 1.00 0.00 H new ATOM 0 HA SER A 61 -7.507 2.795 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.642 5.308 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.399 4.126 -4.068 1.00 0.00 H new ATOM 0 HG SER A 61 -9.795 5.923 -3.619 1.00 0.00 H new ATOM 858 N ALA A 62 -6.453 4.160 -0.526 1.00 0.00 N ATOM 859 CA ALA A 62 -5.855 4.743 0.668 1.00 0.00 C ATOM 860 C ALA A 62 -4.505 5.378 0.352 1.00 0.00 C ATOM 861 O ALA A 62 -3.765 4.892 -0.502 1.00 0.00 O ATOM 862 CB ALA A 62 -5.703 3.687 1.752 1.00 0.00 C ATOM 0 H ALA A 62 -5.781 3.772 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.520 5.527 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.255 4.137 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.683 3.283 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.062 2.883 1.390 1.00 0.00 H new ATOM 868 N MET A 63 -4.191 6.467 1.047 1.00 0.00 N ATOM 869 CA MET A 63 -2.929 7.167 0.840 1.00 0.00 C ATOM 870 C MET A 63 -1.875 6.695 1.837 1.00 0.00 C ATOM 871 O MET A 63 -2.192 6.363 2.980 1.00 0.00 O ATOM 872 CB MET A 63 -3.132 8.678 0.971 1.00 0.00 C ATOM 873 CG MET A 63 -3.895 9.292 -0.191 1.00 0.00 C ATOM 874 SD MET A 63 -3.435 11.009 -0.495 1.00 0.00 S ATOM 875 CE MET A 63 -1.908 10.794 -1.406 1.00 0.00 C ATOM 0 H MET A 63 -4.793 6.883 1.758 1.00 0.00 H new ATOM 0 HA MET A 63 -2.578 6.941 -0.167 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.668 8.885 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.158 9.161 1.052 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.711 8.706 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.964 9.237 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.481 11.770 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.202 10.222 -0.803 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.110 10.259 -2.334 1.00 0.00 H new ATOM 885 N LEU A 64 -0.622 6.668 1.398 1.00 0.00 N ATOM 886 CA LEU A 64 0.479 6.237 2.252 1.00 0.00 C ATOM 887 C LEU A 64 1.537 7.329 2.371 1.00 0.00 C ATOM 888 O LEU A 64 1.818 8.042 1.408 1.00 0.00 O ATOM 889 CB LEU A 64 1.110 4.958 1.698 1.00 0.00 C ATOM 890 CG LEU A 64 0.139 3.833 1.336 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.837 2.776 0.495 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.451 3.213 2.594 1.00 0.00 C ATOM 0 H LEU A 64 -0.343 6.940 0.455 1.00 0.00 H new ATOM 0 HA LEU A 64 0.078 6.036 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.684 5.216 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.818 4.577 2.434 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.675 4.256 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.131 1.984 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.210 3.230 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.671 2.356 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.140 2.414 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.351 2.804 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.988 3.976 3.158 1.00 0.00 H new ATOM 904 N GLY A 65 2.122 7.452 3.558 1.00 0.00 N ATOM 905 CA GLY A 65 3.145 8.459 3.780 1.00 0.00 C ATOM 906 C GLY A 65 3.189 8.932 5.219 1.00 0.00 C ATOM 907 O GLY A 65 2.352 8.562 6.043 1.00 0.00 O ATOM 0 H GLY A 65 1.907 6.873 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.118 8.051 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.960 9.311 3.126 1.00 0.00 H new ATOM 911 N PRO A 66 4.186 9.770 5.540 1.00 0.00 N ATOM 912 CA PRO A 66 5.188 10.218 4.568 1.00 0.00 C ATOM 913 C PRO A 66 6.133 9.096 4.152 1.00 0.00 C ATOM 914 O PRO A 66 6.644 8.357 4.995 1.00 0.00 O ATOM 915 CB PRO A 66 5.952 11.309 5.322 1.00 0.00 C ATOM 916 CG PRO A 66 5.776 10.968 6.762 1.00 0.00 C ATOM 917 CD PRO A 66 4.412 10.345 6.877 1.00 0.00 C ATOM 0 HA PRO A 66 4.731 10.563 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.006 11.319 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.554 12.298 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.550 10.277 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.852 11.859 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.384 9.580 7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.652 11.085 7.130 1.00 0.00 H new ATOM 925 N LEU A 67 6.362 8.974 2.849 1.00 0.00 N ATOM 926 CA LEU A 67 7.248 7.941 2.322 1.00 0.00 C ATOM 927 C LEU A 67 8.552 8.549 1.816 1.00 0.00 C ATOM 928 O LEU A 67 8.742 9.764 1.864 1.00 0.00 O ATOM 929 CB LEU A 67 6.556 7.177 1.191 1.00 0.00 C ATOM 930 CG LEU A 67 5.126 6.714 1.471 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.578 5.928 0.290 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.075 5.877 2.741 1.00 0.00 C ATOM 0 H LEU A 67 5.947 9.577 2.138 1.00 0.00 H new ATOM 0 HA LEU A 67 7.481 7.249 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.544 7.812 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.159 6.302 0.948 1.00 0.00 H new ATOM 0 HG LEU A 67 4.501 7.595 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.559 5.607 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.577 6.559 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.204 5.053 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.050 5.556 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.714 5.001 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.425 6.473 3.584 1.00 0.00 H new ATOM 944 N SER A 68 9.447 7.696 1.329 1.00 0.00 N ATOM 945 CA SER A 68 10.734 8.148 0.815 1.00 0.00 C ATOM 946 C SER A 68 10.619 8.567 -0.647 1.00 0.00 C ATOM 947 O SER A 68 9.549 8.474 -1.249 1.00 0.00 O ATOM 948 CB SER A 68 11.782 7.043 0.960 1.00 0.00 C ATOM 949 OG SER A 68 13.091 7.584 1.006 1.00 0.00 O ATOM 0 H SER A 68 9.304 6.687 1.280 1.00 0.00 H new ATOM 0 HA SER A 68 11.046 9.014 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.589 6.472 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.701 6.349 0.123 1.00 0.00 H new ATOM 0 HG SER A 68 13.742 6.858 1.101 1.00 0.00 H new ATOM 955 N SER A 69 11.729 9.029 -1.214 1.00 0.00 N ATOM 956 CA SER A 69 11.753 9.466 -2.604 1.00 0.00 C ATOM 957 C SER A 69 12.629 8.545 -3.448 1.00 0.00 C ATOM 958 O SER A 69 13.702 8.123 -3.017 1.00 0.00 O ATOM 959 CB SER A 69 12.266 10.905 -2.700 1.00 0.00 C ATOM 960 OG SER A 69 11.967 11.632 -1.521 1.00 0.00 O ATOM 0 H SER A 69 12.624 9.110 -0.731 1.00 0.00 H new ATOM 0 HA SER A 69 10.734 9.424 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.343 10.900 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.814 11.399 -3.560 1.00 0.00 H new ATOM 0 HG SER A 69 11.023 11.508 -1.291 1.00 0.00 H new ATOM 966 N SER A 70 12.163 8.238 -4.655 1.00 0.00 N ATOM 967 CA SER A 70 12.901 7.364 -5.559 1.00 0.00 C ATOM 968 C SER A 70 13.257 6.049 -4.873 1.00 0.00 C ATOM 969 O SER A 70 14.334 5.492 -5.092 1.00 0.00 O ATOM 970 CB SER A 70 14.173 8.058 -6.049 1.00 0.00 C ATOM 971 OG SER A 70 14.840 7.273 -7.022 1.00 0.00 O ATOM 0 H SER A 70 11.278 8.582 -5.029 1.00 0.00 H new ATOM 0 HA SER A 70 12.263 7.146 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.920 9.030 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.839 8.241 -5.206 1.00 0.00 H new ATOM 0 HG SER A 70 14.884 6.342 -6.718 1.00 0.00 H new ATOM 977 N THR A 71 12.345 5.556 -4.041 1.00 0.00 N ATOM 978 CA THR A 71 12.561 4.308 -3.322 1.00 0.00 C ATOM 979 C THR A 71 11.391 3.351 -3.516 1.00 0.00 C ATOM 980 O THR A 71 10.231 3.765 -3.525 1.00 0.00 O ATOM 981 CB THR A 71 12.763 4.555 -1.815 1.00 0.00 C ATOM 982 OG1 THR A 71 13.911 5.384 -1.603 1.00 0.00 O ATOM 983 CG2 THR A 71 12.935 3.241 -1.068 1.00 0.00 C ATOM 0 H THR A 71 11.449 6.003 -3.849 1.00 0.00 H new ATOM 0 HA THR A 71 13.465 3.860 -3.734 1.00 0.00 H new ATOM 0 HB THR A 71 11.876 5.059 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.784 6.241 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.076 3.442 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.046 2.625 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.806 2.713 -1.456 1.00 0.00 H new ATOM 991 N THR A 72 11.701 2.067 -3.670 1.00 0.00 N ATOM 992 CA THR A 72 10.675 1.051 -3.865 1.00 0.00 C ATOM 993 C THR A 72 10.058 0.630 -2.535 1.00 0.00 C ATOM 994 O THR A 72 10.750 0.120 -1.653 1.00 0.00 O ATOM 995 CB THR A 72 11.244 -0.194 -4.571 1.00 0.00 C ATOM 996 OG1 THR A 72 11.923 0.191 -5.771 1.00 0.00 O ATOM 997 CG2 THR A 72 10.135 -1.182 -4.904 1.00 0.00 C ATOM 0 H THR A 72 12.655 1.707 -3.663 1.00 0.00 H new ATOM 0 HA THR A 72 9.905 1.496 -4.495 1.00 0.00 H new ATOM 0 HB THR A 72 11.949 -0.678 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.316 0.712 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.561 -2.053 -5.402 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.639 -1.496 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.409 -0.706 -5.563 1.00 0.00 H new ATOM 1005 N TYR A 73 8.755 0.847 -2.398 1.00 0.00 N ATOM 1006 CA TYR A 73 8.046 0.491 -1.175 1.00 0.00 C ATOM 1007 C TYR A 73 7.071 -0.655 -1.424 1.00 0.00 C ATOM 1008 O TYR A 73 6.261 -0.608 -2.350 1.00 0.00 O ATOM 1009 CB TYR A 73 7.294 1.705 -0.625 1.00 0.00 C ATOM 1010 CG TYR A 73 8.117 2.550 0.321 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.217 3.267 -0.135 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.796 2.631 1.670 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.973 4.040 0.725 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.545 3.402 2.537 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.633 4.105 2.060 1.00 0.00 C ATOM 1016 OH TYR A 73 10.382 4.873 2.921 1.00 0.00 O ATOM 0 H TYR A 73 8.168 1.268 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 73 8.782 0.164 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.963 2.325 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.398 1.363 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.485 3.219 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.946 2.082 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.825 4.590 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.281 3.455 3.583 1.00 0.00 H new ATOM 0 HH TYR A 73 10.966 4.293 3.453 1.00 0.00 H new ATOM 1026 N THR A 74 7.154 -1.686 -0.588 1.00 0.00 N ATOM 1027 CA THR A 74 6.280 -2.846 -0.716 1.00 0.00 C ATOM 1028 C THR A 74 4.959 -2.622 0.011 1.00 0.00 C ATOM 1029 O THR A 74 4.906 -2.636 1.241 1.00 0.00 O ATOM 1030 CB THR A 74 6.950 -4.117 -0.161 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.220 -4.317 -0.791 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.068 -5.336 -0.388 1.00 0.00 C ATOM 0 H THR A 74 7.818 -1.741 0.185 1.00 0.00 H new ATOM 0 HA THR A 74 6.087 -2.981 -1.780 1.00 0.00 H new ATOM 0 HB THR A 74 7.094 -3.986 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.640 -5.126 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.562 -6.222 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.113 -5.193 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.897 -5.467 -1.456 1.00 0.00 H new ATOM 1040 N VAL A 75 3.894 -2.417 -0.757 1.00 0.00 N ATOM 1041 CA VAL A 75 2.571 -2.192 -0.185 1.00 0.00 C ATOM 1042 C VAL A 75 1.778 -3.491 -0.108 1.00 0.00 C ATOM 1043 O VAL A 75 2.007 -4.418 -0.886 1.00 0.00 O ATOM 1044 CB VAL A 75 1.772 -1.163 -1.007 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.406 -0.925 -0.382 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.547 0.140 -1.127 1.00 0.00 C ATOM 0 H VAL A 75 3.921 -2.402 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 75 2.723 -1.802 0.822 1.00 0.00 H new ATOM 0 HB VAL A 75 1.621 -1.563 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.144 -0.195 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.149 -1.862 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.531 -0.546 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.968 0.855 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.731 0.547 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.499 -0.047 -1.624 1.00 0.00 H new ATOM 1056 N ARG A 76 0.843 -3.552 0.834 1.00 0.00 N ATOM 1057 CA ARG A 76 0.015 -4.739 1.014 1.00 0.00 C ATOM 1058 C ARG A 76 -1.359 -4.365 1.562 1.00 0.00 C ATOM 1059 O ARG A 76 -1.481 -3.900 2.695 1.00 0.00 O ATOM 1060 CB ARG A 76 0.702 -5.728 1.958 1.00 0.00 C ATOM 1061 CG ARG A 76 1.596 -6.729 1.246 1.00 0.00 C ATOM 1062 CD ARG A 76 2.751 -7.172 2.132 1.00 0.00 C ATOM 1063 NE ARG A 76 2.288 -7.900 3.310 1.00 0.00 N ATOM 1064 CZ ARG A 76 3.099 -8.348 4.263 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.406 -8.142 4.176 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.603 -9.002 5.305 1.00 0.00 N ATOM 0 H ARG A 76 0.640 -2.793 1.485 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.118 -5.210 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.298 -5.172 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.059 -6.269 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.008 -7.598 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.987 -6.283 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.427 -7.805 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.322 -6.299 2.447 1.00 0.00 H new ATOM 0 HE ARG A 76 1.288 -8.074 3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.791 -7.639 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.026 -8.487 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.598 -9.162 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.227 -9.345 6.036 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.391 -4.572 0.750 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.756 -4.258 1.153 1.00 0.00 C ATOM 1082 C VAL A 77 -4.476 -5.499 1.669 1.00 0.00 C ATOM 1083 O VAL A 77 -5.089 -6.240 0.900 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.562 -3.658 -0.014 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.995 -3.381 0.413 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.895 -2.391 -0.526 1.00 0.00 C ATOM 0 H VAL A 77 -2.307 -4.956 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.688 -3.522 1.954 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.585 -4.383 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.549 -2.957 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.468 -4.312 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.997 -2.675 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.478 -1.981 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.839 -1.658 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.889 -2.625 -0.874 1.00 0.00 H new ATOM 1096 N THR A 78 -4.398 -5.720 2.978 1.00 0.00 N ATOM 1097 CA THR A 78 -5.042 -6.872 3.598 1.00 0.00 C ATOM 1098 C THR A 78 -6.555 -6.693 3.651 1.00 0.00 C ATOM 1099 O THR A 78 -7.063 -5.844 4.384 1.00 0.00 O ATOM 1100 CB THR A 78 -4.513 -7.110 5.025 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.094 -7.300 4.996 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.180 -8.325 5.653 1.00 0.00 C ATOM 0 H THR A 78 -3.895 -5.117 3.629 1.00 0.00 H new ATOM 0 HA THR A 78 -4.803 -7.738 2.981 1.00 0.00 H new ATOM 0 HB THR A 78 -4.749 -6.233 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.765 -7.449 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.791 -8.474 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.257 -8.165 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.970 -9.208 5.049 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.269 -7.498 2.873 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.725 -7.429 2.832 1.00 0.00 C ATOM 1112 C CYS A 79 -9.346 -8.545 3.666 1.00 0.00 C ATOM 1113 O CYS A 79 -9.533 -9.663 3.186 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.221 -7.519 1.388 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.710 -6.134 0.344 1.00 0.00 S ATOM 0 H CYS A 79 -6.863 -8.207 2.262 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.030 -6.471 3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.856 -8.446 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.310 -7.575 1.392 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.176 -6.302 -0.858 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.663 -8.234 4.918 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.262 -9.210 5.821 1.00 0.00 C ATOM 1123 C LEU A 80 -11.781 -9.226 5.676 1.00 0.00 C ATOM 1124 O LEU A 80 -12.442 -8.202 5.849 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.880 -8.898 7.269 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.424 -9.167 7.651 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -7.963 -8.186 8.718 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -8.255 -10.600 8.133 1.00 0.00 C ATOM 0 H LEU A 80 -9.515 -7.313 5.331 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.879 -10.196 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.098 -7.848 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.522 -9.483 7.927 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.804 -9.028 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.925 -8.392 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.046 -7.168 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.587 -8.294 9.605 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.213 -10.773 8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.886 -10.767 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.545 -11.288 7.339 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.327 -10.395 5.360 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.768 -10.545 5.192 1.00 0.00 C ATOM 1142 C TYR A 81 -14.421 -11.022 6.486 1.00 0.00 C ATOM 1143 O TYR A 81 -13.810 -11.713 7.302 1.00 0.00 O ATOM 1144 CB TYR A 81 -14.071 -11.529 4.062 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.285 -11.261 2.798 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.565 -10.158 2.002 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.259 -12.112 2.402 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.849 -9.910 0.847 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.537 -11.871 1.249 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.836 -10.769 0.475 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.120 -10.525 -0.674 1.00 0.00 O ATOM 0 H TYR A 81 -11.794 -11.252 5.215 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.182 -9.570 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.856 -12.541 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -15.136 -11.489 3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.356 -9.482 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.023 -12.976 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.081 -9.048 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.743 -12.542 0.955 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.442 -11.223 -0.792 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.694 -10.646 6.679 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.459 -11.024 7.871 1.00 0.00 C ATOM 1163 C PRO A 82 -16.792 -12.512 7.897 1.00 0.00 C ATOM 1164 O PRO A 82 -17.894 -12.918 7.529 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.738 -10.192 7.750 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.882 -9.928 6.291 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.484 -9.822 5.749 1.00 0.00 C ATOM 0 HA PRO A 82 -15.901 -10.841 8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.600 -10.732 8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.661 -9.263 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.430 -10.733 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.440 -9.008 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.420 -10.196 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.137 -8.789 5.733 1.00 0.00 H new ATOM 1207 N SER A 87 -7.622 -11.743 2.654 1.00 0.00 N ATOM 1208 CA SER A 87 -6.721 -11.723 1.507 1.00 0.00 C ATOM 1209 C SER A 87 -5.651 -10.649 1.676 1.00 0.00 C ATOM 1210 O SER A 87 -5.805 -9.721 2.471 1.00 0.00 O ATOM 1211 CB SER A 87 -7.507 -11.479 0.218 1.00 0.00 C ATOM 1212 OG SER A 87 -6.720 -11.775 -0.923 1.00 0.00 O ATOM 0 HA SER A 87 -6.230 -12.694 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.406 -12.096 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.834 -10.440 0.179 1.00 0.00 H new ATOM 0 HG SER A 87 -7.100 -11.328 -1.708 1.00 0.00 H new ATOM 1218 N THR A 88 -4.565 -10.780 0.921 1.00 0.00 N ATOM 1219 CA THR A 88 -3.468 -9.823 0.986 1.00 0.00 C ATOM 1220 C THR A 88 -2.985 -9.445 -0.409 1.00 0.00 C ATOM 1221 O THR A 88 -2.371 -10.254 -1.106 1.00 0.00 O ATOM 1222 CB THR A 88 -2.281 -10.382 1.794 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.746 -10.928 3.033 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.253 -9.295 2.067 1.00 0.00 C ATOM 0 H THR A 88 -4.422 -11.541 0.257 1.00 0.00 H new ATOM 0 HA THR A 88 -3.853 -8.935 1.487 1.00 0.00 H new ATOM 0 HB THR A 88 -1.808 -11.168 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.986 -11.283 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.424 -9.713 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.880 -8.902 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.717 -8.490 2.637 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.264 -8.210 -0.813 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.857 -7.724 -2.126 1.00 0.00 C ATOM 1234 C LEU A 89 -1.553 -6.938 -2.036 1.00 0.00 C ATOM 1235 O LEU A 89 -1.535 -5.792 -1.586 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.954 -6.844 -2.729 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.123 -7.583 -3.382 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.341 -6.677 -3.477 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.728 -8.095 -4.759 1.00 0.00 C ATOM 0 H LEU A 89 -3.771 -7.527 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.696 -8.588 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.350 -6.201 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.500 -6.192 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.380 -8.439 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.163 -7.220 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.638 -6.360 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.097 -5.801 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.572 -8.618 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.443 -7.254 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.885 -8.780 -4.665 1.00 0.00 H new ATOM 1251 N THR A 90 -0.461 -7.562 -2.467 1.00 0.00 N ATOM 1252 CA THR A 90 0.848 -6.922 -2.436 1.00 0.00 C ATOM 1253 C THR A 90 1.079 -6.080 -3.686 1.00 0.00 C ATOM 1254 O THR A 90 0.599 -6.415 -4.769 1.00 0.00 O ATOM 1255 CB THR A 90 1.979 -7.960 -2.315 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.136 -8.660 -3.554 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.685 -8.952 -1.200 1.00 0.00 C ATOM 0 H THR A 90 -0.458 -8.511 -2.842 1.00 0.00 H new ATOM 0 HA THR A 90 0.862 -6.276 -1.558 1.00 0.00 H new ATOM 0 HB THR A 90 2.903 -7.433 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.858 -9.317 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.497 -9.676 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.595 -8.419 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.752 -9.473 -1.413 1.00 0.00 H new ATOM 1265 N GLY A 91 1.817 -4.986 -3.530 1.00 0.00 N ATOM 1266 CA GLY A 91 2.099 -4.113 -4.655 1.00 0.00 C ATOM 1267 C GLY A 91 3.310 -3.233 -4.418 1.00 0.00 C ATOM 1268 O GLY A 91 3.361 -2.488 -3.440 1.00 0.00 O ATOM 0 H GLY A 91 2.225 -4.688 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.262 -4.717 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.230 -3.485 -4.850 1.00 0.00 H new ATOM 1272 N ARG A 92 4.287 -3.321 -5.314 1.00 0.00 N ATOM 1273 CA ARG A 92 5.505 -2.528 -5.195 1.00 0.00 C ATOM 1274 C ARG A 92 5.355 -1.190 -5.913 1.00 0.00 C ATOM 1275 O ARG A 92 4.906 -1.134 -7.058 1.00 0.00 O ATOM 1276 CB ARG A 92 6.697 -3.296 -5.770 1.00 0.00 C ATOM 1277 CG ARG A 92 7.199 -4.408 -4.864 1.00 0.00 C ATOM 1278 CD ARG A 92 8.471 -5.039 -5.409 1.00 0.00 C ATOM 1279 NE ARG A 92 8.190 -6.024 -6.450 1.00 0.00 N ATOM 1280 CZ ARG A 92 7.695 -7.232 -6.205 1.00 0.00 C ATOM 1281 NH1 ARG A 92 7.426 -7.602 -4.961 1.00 0.00 N ATOM 1282 NH2 ARG A 92 7.466 -8.072 -7.206 1.00 0.00 N ATOM 0 H ARG A 92 4.259 -3.933 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 92 5.681 -2.335 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.414 -3.723 -6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.512 -2.597 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.387 -4.009 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.428 -5.171 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.118 -4.260 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.016 -5.517 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 92 8.385 -5.770 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.599 -6.958 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.046 -8.530 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.670 -7.790 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.086 -8.999 -7.017 1.00 0.00 H new ATOM 1296 N VAL A 93 5.733 -0.113 -5.231 1.00 0.00 N ATOM 1297 CA VAL A 93 5.641 1.225 -5.803 1.00 0.00 C ATOM 1298 C VAL A 93 6.885 2.046 -5.483 1.00 0.00 C ATOM 1299 O VAL A 93 7.270 2.183 -4.321 1.00 0.00 O ATOM 1300 CB VAL A 93 4.398 1.973 -5.285 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.533 2.268 -3.799 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.180 3.254 -6.074 1.00 0.00 C ATOM 0 H VAL A 93 6.106 -0.141 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 93 5.558 1.102 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 93 3.526 1.334 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.646 2.797 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.636 1.332 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.414 2.887 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.298 3.769 -5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.052 3.900 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.034 3.012 -7.127 1.00 0.00 H new ATOM 1312 N THR A 94 7.510 2.592 -6.521 1.00 0.00 N ATOM 1313 CA THR A 94 8.711 3.400 -6.351 1.00 0.00 C ATOM 1314 C THR A 94 8.369 4.884 -6.273 1.00 0.00 C ATOM 1315 O THR A 94 7.974 5.495 -7.266 1.00 0.00 O ATOM 1316 CB THR A 94 9.707 3.175 -7.505 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.103 1.800 -7.548 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.936 4.057 -7.338 1.00 0.00 C ATOM 0 H THR A 94 7.204 2.489 -7.489 1.00 0.00 H new ATOM 0 HA THR A 94 9.173 3.086 -5.415 1.00 0.00 H new ATOM 0 HB THR A 94 9.213 3.440 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.735 1.664 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.625 3.881 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.634 5.104 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.430 3.818 -6.396 1.00 0.00 H new ATOM 1326 N THR A 95 8.524 5.460 -5.085 1.00 0.00 N ATOM 1327 CA THR A 95 8.232 6.872 -4.876 1.00 0.00 C ATOM 1328 C THR A 95 8.987 7.743 -5.874 1.00 0.00 C ATOM 1329 O THR A 95 10.009 7.333 -6.423 1.00 0.00 O ATOM 1330 CB THR A 95 8.595 7.316 -3.447 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.842 6.733 -3.055 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.508 6.912 -2.462 1.00 0.00 C ATOM 0 H THR A 95 8.850 4.969 -4.252 1.00 0.00 H new ATOM 0 HA THR A 95 7.160 6.998 -5.026 1.00 0.00 H new ATOM 0 HB THR A 95 8.684 8.402 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.708 6.178 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.787 7.236 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.566 7.382 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.391 5.828 -2.473 1.00 0.00 H new ATOM 1340 N LYS A 96 8.477 8.949 -6.104 1.00 0.00 N ATOM 1341 CA LYS A 96 9.104 9.880 -7.034 1.00 0.00 C ATOM 1342 C LYS A 96 10.387 10.458 -6.445 1.00 0.00 C ATOM 1343 O LYS A 96 10.653 10.315 -5.251 1.00 0.00 O ATOM 1344 CB LYS A 96 8.136 11.012 -7.385 1.00 0.00 C ATOM 1345 CG LYS A 96 6.786 10.526 -7.884 1.00 0.00 C ATOM 1346 CD LYS A 96 6.155 11.520 -8.844 1.00 0.00 C ATOM 1347 CE LYS A 96 5.216 10.832 -9.822 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.276 11.795 -10.460 1.00 0.00 N ATOM 0 H LYS A 96 7.631 9.304 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 96 9.357 9.332 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.985 11.636 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.590 11.643 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.906 9.564 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.120 10.365 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.606 12.274 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.937 12.042 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.800 10.329 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.648 10.062 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.653 11.287 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.701 12.256 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.817 12.515 -10.980 1.00 0.00 H new ATOM 1362 N LYS A 97 11.178 11.113 -7.288 1.00 0.00 N ATOM 1363 CA LYS A 97 12.431 11.715 -6.850 1.00 0.00 C ATOM 1364 C LYS A 97 12.178 13.039 -6.136 1.00 0.00 C ATOM 1365 O LYS A 97 11.418 13.879 -6.616 1.00 0.00 O ATOM 1366 CB LYS A 97 13.359 11.938 -8.047 1.00 0.00 C ATOM 1367 CG LYS A 97 14.227 10.737 -8.375 1.00 0.00 C ATOM 1368 CD LYS A 97 14.807 10.834 -9.776 1.00 0.00 C ATOM 1369 CE LYS A 97 13.877 10.215 -10.808 1.00 0.00 C ATOM 1370 NZ LYS A 97 12.733 11.111 -11.133 1.00 0.00 N ATOM 0 H LYS A 97 10.973 11.240 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 97 12.909 11.030 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.758 12.190 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.001 12.795 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.037 10.663 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.636 9.825 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.985 11.880 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.773 10.330 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.437 9.997 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.498 9.265 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.432 10.947 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.941 10.910 -10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.026 12.103 -11.022 1.00 0.00 H new ATOM 1384 N ALA A 98 12.822 13.219 -4.987 1.00 0.00 N ATOM 1385 CA ALA A 98 12.669 14.442 -4.209 1.00 0.00 C ATOM 1386 C ALA A 98 13.091 15.664 -5.018 1.00 0.00 C ATOM 1387 O ALA A 98 14.043 15.623 -5.797 1.00 0.00 O ATOM 1388 CB ALA A 98 13.476 14.353 -2.922 1.00 0.00 C ATOM 0 H ALA A 98 13.455 12.533 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 98 11.615 14.553 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.353 15.273 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.124 13.508 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.530 14.214 -3.162 1.00 0.00 H new