USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 34 GLN : amide:sc= -5.49! C(o=-2.7!,f=-29!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -159:sc= 2.83 (180deg=1.22) USER MOD Set 2.1: A 42 SER OG : rot -142:sc= 1.26! USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.583 K(o=0.58,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= 0.731 K(o=0.73,f=-0.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.0206 F(o=-0.84,f=-0.021) USER MOD Single : A 31 SER OG : rot 101:sc= 1.3 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -4.72! (180deg=-5.98!) USER MOD Single : A 45 GLN : amide:sc= -4.65! C(o=-4.6!,f=-9.7!) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -1.23! (180deg=-2.5!) USER MOD Single : A 49 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.25) USER MOD Single : A 50 SER OG : rot 180:sc= -0.155 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.262 F(o=-3.3!,f=-0.26) USER MOD Single : A 71 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.8) USER MOD Single : A 74 GLN : amide:sc= -4.43! C(o=-4.4!,f=-7!) USER MOD Single : A 75 TYR OH : rot 171:sc= -1.46! USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -1.929 3.842 -14.163 1.00 2.53 N ATOM 145 CA LYS A 11 -1.453 2.555 -13.574 1.00 2.29 C ATOM 146 C LYS A 11 -2.170 2.329 -12.246 1.00 1.99 C ATOM 147 O LYS A 11 -2.305 3.246 -11.466 1.00 1.95 O ATOM 148 CB LYS A 11 0.052 2.616 -13.319 1.00 2.09 C ATOM 149 CG LYS A 11 0.790 3.193 -14.544 1.00 2.67 C ATOM 150 CD LYS A 11 2.305 3.042 -14.327 1.00 3.28 C ATOM 151 CE LYS A 11 2.735 1.585 -14.584 1.00 3.33 C ATOM 152 NZ LYS A 11 3.328 1.436 -15.941 1.00 4.07 N ATOM 0 HA LYS A 11 -1.665 1.741 -14.268 1.00 2.29 H new ATOM 0 HB2 LYS A 11 0.253 3.233 -12.443 1.00 2.09 H new ATOM 0 HB3 LYS A 11 0.429 1.617 -13.098 1.00 2.09 H new ATOM 0 HG2 LYS A 11 0.485 2.669 -15.450 1.00 2.67 H new ATOM 0 HG3 LYS A 11 0.531 4.243 -14.680 1.00 2.67 H new ATOM 0 HD2 LYS A 11 2.844 3.712 -14.997 1.00 3.28 H new ATOM 0 HD3 LYS A 11 2.565 3.332 -13.309 1.00 3.28 H new ATOM 0 HE2 LYS A 11 3.460 1.278 -13.830 1.00 3.33 H new ATOM 0 HE3 LYS A 11 1.873 0.925 -14.485 1.00 3.33 H new ATOM 0 HZ1 LYS A 11 3.610 0.446 -16.090 1.00 4.07 H new ATOM 0 HZ2 LYS A 11 2.626 1.708 -16.658 1.00 4.07 H new ATOM 0 HZ3 LYS A 11 4.163 2.050 -16.024 1.00 4.07 H new ATOM 166 N VAL A 12 -2.604 1.128 -12.002 1.00 1.88 N ATOM 167 CA VAL A 12 -3.313 0.855 -10.718 1.00 1.61 C ATOM 168 C VAL A 12 -2.680 -0.376 -10.070 1.00 1.47 C ATOM 169 O VAL A 12 -2.372 -1.336 -10.757 1.00 1.87 O ATOM 170 CB VAL A 12 -4.803 0.587 -11.000 1.00 1.64 C ATOM 171 CG1 VAL A 12 -5.577 0.556 -9.678 1.00 1.96 C ATOM 172 CG2 VAL A 12 -5.398 1.690 -11.877 1.00 2.46 C ATOM 0 H VAL A 12 -2.502 0.328 -12.627 1.00 1.88 H new ATOM 0 HA VAL A 12 -3.229 1.713 -10.051 1.00 1.61 H new ATOM 0 HB VAL A 12 -4.883 -0.369 -11.517 1.00 1.64 H new ATOM 0 HG11 VAL A 12 -6.632 0.366 -9.878 1.00 1.96 H new ATOM 0 HG12 VAL A 12 -5.180 -0.236 -9.043 1.00 1.96 H new ATOM 0 HG13 VAL A 12 -5.471 1.515 -9.172 1.00 1.96 H new ATOM 0 HG21 VAL A 12 -6.451 1.479 -12.063 1.00 2.46 H new ATOM 0 HG22 VAL A 12 -5.304 2.649 -11.368 1.00 2.46 H new ATOM 0 HG23 VAL A 12 -4.863 1.729 -12.826 1.00 2.46 H new ATOM 182 N PHE A 13 -2.534 -0.328 -8.765 1.00 1.21 N ATOM 183 CA PHE A 13 -1.928 -1.468 -8.020 1.00 1.13 C ATOM 184 C PHE A 13 -2.454 -1.490 -6.583 1.00 0.93 C ATOM 185 O PHE A 13 -2.928 -0.477 -6.078 1.00 1.30 O ATOM 186 CB PHE A 13 -0.390 -1.334 -7.981 1.00 1.76 C ATOM 187 CG PHE A 13 0.104 0.077 -8.372 1.00 0.98 C ATOM 188 CD1 PHE A 13 -0.037 1.159 -7.520 1.00 1.51 C ATOM 189 CD2 PHE A 13 0.818 0.244 -9.542 1.00 1.81 C ATOM 190 CE1 PHE A 13 0.556 2.376 -7.834 1.00 2.05 C ATOM 191 CE2 PHE A 13 1.400 1.450 -9.856 1.00 2.02 C ATOM 192 CZ PHE A 13 1.294 2.518 -9.000 1.00 1.90 C ATOM 0 H PHE A 13 -2.813 0.462 -8.184 1.00 1.21 H new ATOM 0 HA PHE A 13 -2.199 -2.391 -8.532 1.00 1.13 H new ATOM 0 HB2 PHE A 13 -0.036 -1.572 -6.978 1.00 1.76 H new ATOM 0 HB3 PHE A 13 0.050 -2.067 -8.657 1.00 1.76 H new ATOM 0 HD1 PHE A 13 -0.609 1.057 -6.610 1.00 1.51 H new ATOM 0 HD2 PHE A 13 0.921 -0.588 -10.223 1.00 1.81 H new ATOM 0 HE1 PHE A 13 0.442 3.217 -7.166 1.00 2.05 H new ATOM 0 HE2 PHE A 13 1.944 1.558 -10.783 1.00 2.02 H new ATOM 0 HZ PHE A 13 1.778 3.455 -9.231 1.00 1.90 H new ATOM 202 N ARG A 14 -2.400 -2.649 -5.966 1.00 0.87 N ATOM 203 CA ARG A 14 -2.848 -2.794 -4.567 1.00 1.31 C ATOM 204 C ARG A 14 -1.778 -3.531 -3.768 1.00 1.22 C ATOM 205 O ARG A 14 -0.877 -4.125 -4.339 1.00 1.33 O ATOM 206 CB ARG A 14 -4.120 -3.627 -4.542 1.00 1.78 C ATOM 207 CG ARG A 14 -3.838 -5.078 -4.963 1.00 1.76 C ATOM 208 CD ARG A 14 -5.128 -5.902 -4.862 1.00 1.85 C ATOM 209 NE ARG A 14 -5.905 -5.725 -6.117 1.00 1.88 N ATOM 210 CZ ARG A 14 -6.820 -4.820 -6.165 1.00 3.17 C ATOM 211 NH1 ARG A 14 -6.453 -3.642 -6.559 1.00 4.50 N ATOM 212 NH2 ARG A 14 -8.027 -5.099 -5.779 1.00 3.98 N ATOM 0 H ARG A 14 -2.056 -3.509 -6.393 1.00 0.87 H new ATOM 0 HA ARG A 14 -3.026 -1.809 -4.137 1.00 1.31 H new ATOM 0 HB2 ARG A 14 -4.549 -3.612 -3.540 1.00 1.78 H new ATOM 0 HB3 ARG A 14 -4.860 -3.188 -5.211 1.00 1.78 H new ATOM 0 HG2 ARG A 14 -3.457 -5.104 -5.984 1.00 1.76 H new ATOM 0 HG3 ARG A 14 -3.068 -5.510 -4.324 1.00 1.76 H new ATOM 0 HD2 ARG A 14 -4.893 -6.955 -4.708 1.00 1.85 H new ATOM 0 HD3 ARG A 14 -5.717 -5.578 -4.004 1.00 1.85 H new ATOM 0 HE ARG A 14 -5.716 -6.312 -6.929 1.00 1.88 H new ATOM 0 HH11 ARG A 14 -5.480 -3.469 -6.812 1.00 4.50 H new ATOM 0 HH12 ARG A 14 -7.137 -2.887 -6.616 1.00 4.50 H new ATOM 0 HH21 ARG A 14 -8.250 -6.034 -5.438 1.00 3.98 H new ATOM 0 HH22 ARG A 14 -8.753 -4.383 -5.816 1.00 3.98 H new ATOM 226 N VAL A 15 -1.927 -3.538 -2.482 1.00 1.17 N ATOM 227 CA VAL A 15 -0.948 -4.256 -1.620 1.00 1.09 C ATOM 228 C VAL A 15 -1.732 -5.384 -0.956 1.00 0.99 C ATOM 229 O VAL A 15 -2.920 -5.228 -0.755 1.00 1.06 O ATOM 230 CB VAL A 15 -0.414 -3.295 -0.544 1.00 1.22 C ATOM 231 CG1 VAL A 15 0.835 -3.889 0.118 1.00 1.56 C ATOM 232 CG2 VAL A 15 -0.054 -1.951 -1.189 1.00 1.37 C ATOM 0 H VAL A 15 -2.687 -3.076 -1.983 1.00 1.17 H new ATOM 0 HA VAL A 15 -0.100 -4.634 -2.192 1.00 1.09 H new ATOM 0 HB VAL A 15 -1.185 -3.146 0.212 1.00 1.22 H new ATOM 0 HG11 VAL A 15 1.206 -3.201 0.878 1.00 1.56 H new ATOM 0 HG12 VAL A 15 0.582 -4.842 0.583 1.00 1.56 H new ATOM 0 HG13 VAL A 15 1.606 -4.046 -0.636 1.00 1.56 H new ATOM 0 HG21 VAL A 15 0.324 -1.271 -0.426 1.00 1.37 H new ATOM 0 HG22 VAL A 15 0.712 -2.106 -1.949 1.00 1.37 H new ATOM 0 HG23 VAL A 15 -0.942 -1.520 -1.651 1.00 1.37 H new ATOM 242 N ASN A 16 -1.112 -6.479 -0.637 1.00 0.97 N ATOM 243 CA ASN A 16 -1.874 -7.568 0.028 1.00 0.91 C ATOM 244 C ASN A 16 -1.395 -7.686 1.465 1.00 0.89 C ATOM 245 O ASN A 16 -0.318 -7.239 1.805 1.00 1.49 O ATOM 246 CB ASN A 16 -1.653 -8.894 -0.706 1.00 0.95 C ATOM 247 CG ASN A 16 -2.402 -8.868 -2.037 1.00 1.65 C ATOM 248 OD1 ASN A 16 -3.494 -9.380 -2.168 1.00 1.90 O ATOM 249 ND2 ASN A 16 -1.862 -8.263 -3.050 1.00 3.17 N ATOM 0 H ASN A 16 -0.124 -6.668 -0.804 1.00 0.97 H new ATOM 0 HA ASN A 16 -2.939 -7.337 0.007 1.00 0.91 H new ATOM 0 HB2 ASN A 16 -0.589 -9.054 -0.878 1.00 0.95 H new ATOM 0 HB3 ASN A 16 -2.005 -9.724 -0.094 1.00 0.95 H new ATOM 0 HD21 ASN A 16 -2.355 -8.222 -3.942 1.00 3.17 H new ATOM 0 HD22 ASN A 16 -0.944 -7.828 -2.954 1.00 3.17 H new ATOM 256 N VAL A 17 -2.214 -8.278 2.264 1.00 0.75 N ATOM 257 CA VAL A 17 -1.869 -8.447 3.684 1.00 0.85 C ATOM 258 C VAL A 17 -2.145 -9.887 4.071 1.00 0.91 C ATOM 259 O VAL A 17 -3.293 -10.312 4.100 1.00 1.02 O ATOM 260 CB VAL A 17 -2.736 -7.533 4.556 1.00 0.90 C ATOM 261 CG1 VAL A 17 -2.127 -7.498 5.953 1.00 1.55 C ATOM 262 CG2 VAL A 17 -2.761 -6.106 3.991 1.00 1.24 C ATOM 0 H VAL A 17 -3.120 -8.657 1.990 1.00 0.75 H new ATOM 0 HA VAL A 17 -0.820 -8.193 3.835 1.00 0.85 H new ATOM 0 HB VAL A 17 -3.756 -7.916 4.578 1.00 0.90 H new ATOM 0 HG11 VAL A 17 -2.726 -6.853 6.595 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -2.108 -8.506 6.367 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -1.110 -7.110 5.897 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -3.382 -5.474 4.626 1.00 1.24 H new ATOM 0 HG22 VAL A 17 -1.747 -5.708 3.964 1.00 1.24 H new ATOM 0 HG23 VAL A 17 -3.172 -6.122 2.981 1.00 1.24 H new ATOM 272 N GLU A 18 -1.100 -10.601 4.337 1.00 1.09 N ATOM 273 CA GLU A 18 -1.243 -12.011 4.746 1.00 1.25 C ATOM 274 C GLU A 18 -0.771 -12.134 6.191 1.00 1.09 C ATOM 275 O GLU A 18 -1.202 -13.017 6.909 1.00 1.29 O ATOM 276 CB GLU A 18 -0.425 -12.857 3.778 1.00 1.79 C ATOM 277 CG GLU A 18 -1.276 -13.074 2.510 1.00 2.57 C ATOM 278 CD GLU A 18 -0.383 -13.446 1.327 1.00 2.32 C ATOM 279 OE1 GLU A 18 0.268 -14.469 1.444 1.00 2.83 O ATOM 280 OE2 GLU A 18 -0.414 -12.697 0.363 1.00 3.05 O ATOM 0 H GLU A 18 -0.139 -10.262 4.287 1.00 1.09 H new ATOM 0 HA GLU A 18 -2.275 -12.361 4.708 1.00 1.25 H new ATOM 0 HB2 GLU A 18 0.511 -12.356 3.529 1.00 1.79 H new ATOM 0 HB3 GLU A 18 -0.164 -13.813 4.232 1.00 1.79 H new ATOM 0 HG2 GLU A 18 -2.006 -13.864 2.685 1.00 2.57 H new ATOM 0 HG3 GLU A 18 -1.836 -12.167 2.280 1.00 2.57 H new ATOM 287 N ASP A 19 0.102 -11.247 6.589 1.00 1.02 N ATOM 288 CA ASP A 19 0.588 -11.266 7.997 1.00 1.23 C ATOM 289 C ASP A 19 0.604 -9.851 8.527 1.00 1.12 C ATOM 290 O ASP A 19 0.338 -8.887 7.834 1.00 1.12 O ATOM 291 CB ASP A 19 1.979 -11.937 8.084 1.00 1.55 C ATOM 292 CG ASP A 19 2.776 -11.646 9.355 1.00 1.98 C ATOM 293 OD1 ASP A 19 2.320 -12.093 10.396 1.00 2.99 O ATOM 294 OD2 ASP A 19 3.801 -11.008 9.217 1.00 2.81 O ATOM 0 H ASP A 19 0.498 -10.513 6.001 1.00 1.02 H new ATOM 0 HA ASP A 19 -0.084 -11.860 8.617 1.00 1.23 H new ATOM 0 HB2 ASP A 19 1.848 -13.016 7.998 1.00 1.55 H new ATOM 0 HB3 ASP A 19 2.570 -11.619 7.225 1.00 1.55 H new ATOM 299 N GLU A 20 0.958 -9.799 9.748 1.00 1.22 N ATOM 300 CA GLU A 20 1.013 -8.527 10.489 1.00 1.24 C ATOM 301 C GLU A 20 2.176 -7.667 9.999 1.00 1.15 C ATOM 302 O GLU A 20 2.064 -6.455 9.944 1.00 1.14 O ATOM 303 CB GLU A 20 1.145 -8.917 11.965 1.00 1.47 C ATOM 304 CG GLU A 20 -0.048 -9.817 12.384 1.00 2.56 C ATOM 305 CD GLU A 20 -1.310 -8.974 12.628 1.00 2.54 C ATOM 306 OE1 GLU A 20 -1.721 -8.308 11.700 1.00 3.03 O ATOM 307 OE2 GLU A 20 -1.804 -9.035 13.739 1.00 3.19 O ATOM 0 H GLU A 20 1.225 -10.616 10.297 1.00 1.22 H new ATOM 0 HA GLU A 20 0.123 -7.917 10.336 1.00 1.24 H new ATOM 0 HB2 GLU A 20 2.085 -9.445 12.128 1.00 1.47 H new ATOM 0 HB3 GLU A 20 1.171 -8.021 12.586 1.00 1.47 H new ATOM 0 HG2 GLU A 20 -0.243 -10.555 11.606 1.00 2.56 H new ATOM 0 HG3 GLU A 20 0.207 -10.368 13.289 1.00 2.56 H new ATOM 314 N ASN A 21 3.264 -8.293 9.650 1.00 1.15 N ATOM 315 CA ASN A 21 4.442 -7.516 9.143 1.00 1.15 C ATOM 316 C ASN A 21 3.979 -6.598 8.010 1.00 1.07 C ATOM 317 O ASN A 21 4.097 -5.383 8.067 1.00 1.08 O ATOM 318 CB ASN A 21 5.495 -8.494 8.593 1.00 1.26 C ATOM 319 CG ASN A 21 6.431 -7.753 7.638 1.00 1.34 C ATOM 320 OD1 ASN A 21 7.317 -7.037 8.055 1.00 1.93 O ATOM 321 ND2 ASN A 21 6.236 -7.864 6.360 1.00 1.98 N ATOM 0 H ASN A 21 3.394 -9.304 9.691 1.00 1.15 H new ATOM 0 HA ASN A 21 4.872 -6.926 9.952 1.00 1.15 H new ATOM 0 HB2 ASN A 21 6.066 -8.929 9.413 1.00 1.26 H new ATOM 0 HB3 ASN A 21 5.005 -9.317 8.073 1.00 1.26 H new ATOM 0 HD21 ASN A 21 6.827 -7.350 5.707 1.00 1.98 H new ATOM 0 HD22 ASN A 21 5.491 -8.466 6.008 1.00 1.98 H new ATOM 328 N ASP A 22 3.487 -7.262 6.998 1.00 1.12 N ATOM 329 CA ASP A 22 2.961 -6.604 5.764 1.00 1.14 C ATOM 330 C ASP A 22 2.242 -5.330 6.142 1.00 1.06 C ATOM 331 O ASP A 22 2.411 -4.298 5.512 1.00 1.14 O ATOM 332 CB ASP A 22 1.955 -7.551 5.081 1.00 1.24 C ATOM 333 CG ASP A 22 2.448 -9.013 5.044 1.00 3.10 C ATOM 334 OD1 ASP A 22 3.593 -9.251 5.434 1.00 4.36 O ATOM 335 OD2 ASP A 22 1.626 -9.827 4.655 1.00 3.87 O ATOM 0 H ASP A 22 3.426 -8.280 6.976 1.00 1.12 H new ATOM 0 HA ASP A 22 3.788 -6.379 5.090 1.00 1.14 H new ATOM 0 HB2 ASP A 22 1.003 -7.506 5.609 1.00 1.24 H new ATOM 0 HB3 ASP A 22 1.771 -7.207 4.063 1.00 1.24 H new ATOM 340 N ILE A 23 1.397 -5.456 7.133 1.00 0.99 N ATOM 341 CA ILE A 23 0.659 -4.265 7.588 1.00 0.96 C ATOM 342 C ILE A 23 1.690 -3.247 8.032 1.00 0.98 C ATOM 343 O ILE A 23 1.757 -2.198 7.445 1.00 1.19 O ATOM 344 CB ILE A 23 -0.282 -4.655 8.725 1.00 0.95 C ATOM 345 CG1 ILE A 23 -1.211 -5.745 8.177 1.00 1.08 C ATOM 346 CG2 ILE A 23 -1.096 -3.422 9.142 1.00 0.98 C ATOM 347 CD1 ILE A 23 -2.208 -6.200 9.228 1.00 0.97 C ATOM 0 H ILE A 23 1.195 -6.322 7.633 1.00 0.99 H new ATOM 0 HA ILE A 23 0.045 -3.838 6.795 1.00 0.96 H new ATOM 0 HB ILE A 23 0.263 -5.020 9.596 1.00 0.95 H new ATOM 0 HG12 ILE A 23 -1.745 -5.366 7.306 1.00 1.08 H new ATOM 0 HG13 ILE A 23 -0.618 -6.596 7.842 1.00 1.08 H new ATOM 0 HG21 ILE A 23 -1.772 -3.690 9.954 1.00 0.98 H new ATOM 0 HG22 ILE A 23 -0.420 -2.636 9.477 1.00 0.98 H new ATOM 0 HG23 ILE A 23 -1.675 -3.064 8.291 1.00 0.98 H new ATOM 0 HD11 ILE A 23 -2.852 -6.973 8.808 1.00 0.97 H new ATOM 0 HD12 ILE A 23 -1.672 -6.602 10.088 1.00 0.97 H new ATOM 0 HD13 ILE A 23 -2.817 -5.352 9.543 1.00 0.97 H new ATOM 359 N SER A 24 2.486 -3.581 9.026 1.00 0.89 N ATOM 360 CA SER A 24 3.550 -2.618 9.489 1.00 0.89 C ATOM 361 C SER A 24 4.166 -1.892 8.276 1.00 0.84 C ATOM 362 O SER A 24 4.126 -0.672 8.169 1.00 0.96 O ATOM 363 CB SER A 24 4.679 -3.389 10.199 1.00 0.98 C ATOM 364 OG SER A 24 4.022 -4.276 11.092 1.00 1.32 O ATOM 0 H SER A 24 2.448 -4.466 9.532 1.00 0.89 H new ATOM 0 HA SER A 24 3.091 -1.900 10.169 1.00 0.89 H new ATOM 0 HB2 SER A 24 5.293 -3.935 9.483 1.00 0.98 H new ATOM 0 HB3 SER A 24 5.342 -2.710 10.735 1.00 0.98 H new ATOM 0 HG SER A 24 4.689 -4.803 11.579 1.00 1.32 H new ATOM 370 N GLU A 25 4.678 -2.703 7.383 1.00 0.84 N ATOM 371 CA GLU A 25 5.342 -2.212 6.144 1.00 0.94 C ATOM 372 C GLU A 25 4.462 -1.297 5.295 1.00 1.01 C ATOM 373 O GLU A 25 4.898 -0.223 4.943 1.00 1.16 O ATOM 374 CB GLU A 25 5.750 -3.443 5.330 1.00 1.07 C ATOM 375 CG GLU A 25 6.701 -4.319 6.168 1.00 1.55 C ATOM 376 CD GLU A 25 7.848 -4.809 5.279 1.00 2.13 C ATOM 377 OE1 GLU A 25 8.645 -3.961 4.909 1.00 2.62 O ATOM 378 OE2 GLU A 25 7.840 -5.991 4.984 1.00 3.40 O ATOM 0 H GLU A 25 4.660 -3.719 7.469 1.00 0.84 H new ATOM 0 HA GLU A 25 6.200 -1.605 6.434 1.00 0.94 H new ATOM 0 HB2 GLU A 25 4.866 -4.015 5.047 1.00 1.07 H new ATOM 0 HB3 GLU A 25 6.240 -3.136 4.406 1.00 1.07 H new ATOM 0 HG2 GLU A 25 7.095 -3.748 7.009 1.00 1.55 H new ATOM 0 HG3 GLU A 25 6.160 -5.168 6.585 1.00 1.55 H new ATOM 385 N LEU A 26 3.268 -1.709 4.934 1.00 0.98 N ATOM 386 CA LEU A 26 2.457 -0.789 4.115 1.00 1.03 C ATOM 387 C LEU A 26 2.088 0.407 4.991 1.00 1.03 C ATOM 388 O LEU A 26 2.207 1.535 4.570 1.00 1.09 O ATOM 389 CB LEU A 26 1.207 -1.520 3.615 1.00 1.11 C ATOM 390 CG LEU A 26 0.226 -0.483 3.065 1.00 0.79 C ATOM 391 CD1 LEU A 26 0.876 0.343 1.941 1.00 1.87 C ATOM 392 CD2 LEU A 26 -1.012 -1.180 2.504 1.00 1.63 C ATOM 0 H LEU A 26 2.844 -2.607 5.166 1.00 0.98 H new ATOM 0 HA LEU A 26 3.010 -0.443 3.242 1.00 1.03 H new ATOM 0 HB2 LEU A 26 1.473 -2.238 2.840 1.00 1.11 H new ATOM 0 HB3 LEU A 26 0.747 -2.083 4.427 1.00 1.11 H new ATOM 0 HG LEU A 26 -0.055 0.180 3.884 1.00 0.79 H new ATOM 0 HD11 LEU A 26 0.160 1.074 1.566 1.00 1.87 H new ATOM 0 HD12 LEU A 26 1.752 0.861 2.330 1.00 1.87 H new ATOM 0 HD13 LEU A 26 1.177 -0.320 1.130 1.00 1.87 H new ATOM 0 HD21 LEU A 26 -1.705 -0.434 2.115 1.00 1.63 H new ATOM 0 HD22 LEU A 26 -0.717 -1.855 1.701 1.00 1.63 H new ATOM 0 HD23 LEU A 26 -1.499 -1.749 3.296 1.00 1.63 H new ATOM 404 N HIS A 27 1.611 0.121 6.176 1.00 1.05 N ATOM 405 CA HIS A 27 1.236 1.204 7.144 1.00 1.13 C ATOM 406 C HIS A 27 2.260 2.328 7.087 1.00 1.09 C ATOM 407 O HIS A 27 1.903 3.478 6.961 1.00 1.17 O ATOM 408 CB HIS A 27 1.202 0.633 8.568 1.00 1.22 C ATOM 409 CG HIS A 27 -0.198 0.610 9.165 1.00 1.12 C ATOM 410 ND1 HIS A 27 -1.290 -0.173 8.902 1.00 1.39 N flip ATOM 411 CD2 HIS A 27 -0.554 1.461 10.086 1.00 1.50 C flip ATOM 412 CE1 HIS A 27 -2.253 0.239 9.672 1.00 1.44 C flip ATOM 413 NE2 HIS A 27 -1.811 1.237 10.397 1.00 1.38 N flip ATOM 0 H HIS A 27 1.463 -0.827 6.521 1.00 1.05 H new ATOM 0 HA HIS A 27 0.253 1.592 6.876 1.00 1.13 H new ATOM 0 HB2 HIS A 27 1.603 -0.380 8.557 1.00 1.22 H new ATOM 0 HB3 HIS A 27 1.854 1.227 9.208 1.00 1.22 H new ATOM 0 HD2 HIS A 27 0.078 2.222 10.520 1.00 1.50 H new ATOM 0 HE1 HIS A 27 -3.251 -0.173 9.708 1.00 1.44 H new ATOM 0 HE2 HIS A 27 -2.353 1.755 11.089 1.00 1.38 H new ATOM 421 N GLU A 28 3.501 1.937 7.246 1.00 1.05 N ATOM 422 CA GLU A 28 4.653 2.883 7.204 1.00 1.08 C ATOM 423 C GLU A 28 4.355 4.029 6.209 1.00 1.04 C ATOM 424 O GLU A 28 4.498 5.198 6.526 1.00 1.28 O ATOM 425 CB GLU A 28 5.878 2.044 6.780 1.00 1.06 C ATOM 426 CG GLU A 28 7.111 2.371 7.641 1.00 1.82 C ATOM 427 CD GLU A 28 6.998 1.636 8.986 1.00 3.12 C ATOM 428 OE1 GLU A 28 7.157 0.418 8.963 1.00 4.21 O ATOM 429 OE2 GLU A 28 6.731 2.337 9.952 1.00 3.84 O ATOM 0 H GLU A 28 3.768 0.966 7.409 1.00 1.05 H new ATOM 0 HA GLU A 28 4.839 3.356 8.168 1.00 1.08 H new ATOM 0 HB2 GLU A 28 5.642 0.983 6.868 1.00 1.06 H new ATOM 0 HB3 GLU A 28 6.105 2.234 5.731 1.00 1.06 H new ATOM 0 HG2 GLU A 28 8.021 2.069 7.123 1.00 1.82 H new ATOM 0 HG3 GLU A 28 7.180 3.446 7.805 1.00 1.82 H new ATOM 436 N LEU A 29 3.903 3.635 5.038 1.00 0.91 N ATOM 437 CA LEU A 29 3.557 4.601 3.945 1.00 1.00 C ATOM 438 C LEU A 29 2.617 5.712 4.439 1.00 1.21 C ATOM 439 O LEU A 29 2.818 6.868 4.115 1.00 1.61 O ATOM 440 CB LEU A 29 2.892 3.795 2.811 1.00 1.17 C ATOM 441 CG LEU A 29 2.315 4.696 1.706 1.00 1.66 C ATOM 442 CD1 LEU A 29 3.424 5.536 1.059 1.00 1.53 C ATOM 443 CD2 LEU A 29 1.672 3.797 0.638 1.00 2.53 C ATOM 0 H LEU A 29 3.756 2.657 4.790 1.00 0.91 H new ATOM 0 HA LEU A 29 4.462 5.096 3.594 1.00 1.00 H new ATOM 0 HB2 LEU A 29 3.624 3.115 2.375 1.00 1.17 H new ATOM 0 HB3 LEU A 29 2.094 3.180 3.227 1.00 1.17 H new ATOM 0 HG LEU A 29 1.577 5.372 2.138 1.00 1.66 H new ATOM 0 HD11 LEU A 29 2.995 6.166 0.280 1.00 1.53 H new ATOM 0 HD12 LEU A 29 3.894 6.164 1.816 1.00 1.53 H new ATOM 0 HD13 LEU A 29 4.172 4.875 0.620 1.00 1.53 H new ATOM 0 HD21 LEU A 29 1.256 4.416 -0.156 1.00 2.53 H new ATOM 0 HD22 LEU A 29 2.427 3.131 0.221 1.00 2.53 H new ATOM 0 HD23 LEU A 29 0.877 3.205 1.091 1.00 2.53 H new ATOM 455 N ALA A 30 1.591 5.316 5.160 1.00 1.20 N ATOM 456 CA ALA A 30 0.589 6.296 5.708 1.00 1.55 C ATOM 457 C ALA A 30 1.268 7.629 6.051 1.00 1.42 C ATOM 458 O ALA A 30 0.862 8.679 5.596 1.00 1.47 O ATOM 459 CB ALA A 30 -0.050 5.701 6.972 1.00 1.98 C ATOM 0 H ALA A 30 1.402 4.342 5.396 1.00 1.20 H new ATOM 0 HA ALA A 30 -0.176 6.484 4.954 1.00 1.55 H new ATOM 0 HB1 ALA A 30 -0.778 6.404 7.377 1.00 1.98 H new ATOM 0 HB2 ALA A 30 -0.550 4.765 6.721 1.00 1.98 H new ATOM 0 HB3 ALA A 30 0.724 5.511 7.716 1.00 1.98 H new ATOM 465 N SER A 31 2.270 7.532 6.886 1.00 1.73 N ATOM 466 CA SER A 31 3.057 8.733 7.308 1.00 1.91 C ATOM 467 C SER A 31 3.245 9.684 6.121 1.00 1.76 C ATOM 468 O SER A 31 3.005 10.868 6.211 1.00 2.21 O ATOM 469 CB SER A 31 4.421 8.252 7.804 1.00 2.39 C ATOM 470 OG SER A 31 4.117 7.056 8.517 1.00 2.70 O ATOM 0 H SER A 31 2.583 6.655 7.302 1.00 1.73 H new ATOM 0 HA SER A 31 2.530 9.268 8.098 1.00 1.91 H new ATOM 0 HB2 SER A 31 5.104 8.062 6.976 1.00 2.39 H new ATOM 0 HB3 SER A 31 4.897 8.992 8.447 1.00 2.39 H new ATOM 0 HG SER A 31 4.318 6.279 7.954 1.00 2.70 H new ATOM 476 N THR A 32 3.663 9.112 5.031 1.00 1.58 N ATOM 477 CA THR A 32 3.884 9.899 3.788 1.00 1.98 C ATOM 478 C THR A 32 2.826 9.467 2.773 1.00 2.28 C ATOM 479 O THR A 32 3.127 9.024 1.678 1.00 3.16 O ATOM 480 CB THR A 32 5.300 9.609 3.262 1.00 2.15 C ATOM 481 OG1 THR A 32 5.432 8.190 3.271 1.00 2.61 O ATOM 482 CG2 THR A 32 6.374 10.106 4.235 1.00 2.41 C ATOM 0 H THR A 32 3.865 8.116 4.946 1.00 1.58 H new ATOM 0 HA THR A 32 3.798 10.970 3.971 1.00 1.98 H new ATOM 0 HB THR A 32 5.425 10.086 2.290 1.00 2.15 H new ATOM 0 HG1 THR A 32 6.321 7.942 2.942 1.00 2.61 H new ATOM 0 HG21 THR A 32 7.362 9.884 3.831 1.00 2.41 H new ATOM 0 HG22 THR A 32 6.271 11.183 4.372 1.00 2.41 H new ATOM 0 HG23 THR A 32 6.254 9.605 5.196 1.00 2.41 H new ATOM 490 N ARG A 33 1.595 9.575 3.185 1.00 2.55 N ATOM 491 CA ARG A 33 0.472 9.175 2.286 1.00 3.15 C ATOM 492 C ARG A 33 0.216 10.219 1.182 1.00 2.14 C ATOM 493 O ARG A 33 -0.881 10.745 1.066 1.00 2.79 O ATOM 494 CB ARG A 33 -0.808 9.002 3.120 1.00 4.87 C ATOM 495 CG ARG A 33 -1.851 8.221 2.313 1.00 6.05 C ATOM 496 CD ARG A 33 -3.240 8.509 2.887 1.00 7.71 C ATOM 497 NE ARG A 33 -4.256 7.844 2.022 1.00 8.44 N ATOM 498 CZ ARG A 33 -5.099 8.565 1.350 1.00 9.10 C ATOM 499 NH1 ARG A 33 -4.629 9.508 0.595 1.00 8.62 N ATOM 500 NH2 ARG A 33 -6.369 8.301 1.432 1.00 10.51 N ATOM 0 H ARG A 33 1.316 9.922 4.103 1.00 2.55 H new ATOM 0 HA ARG A 33 0.749 8.237 1.804 1.00 3.15 H new ATOM 0 HB2 ARG A 33 -0.581 8.474 4.046 1.00 4.87 H new ATOM 0 HB3 ARG A 33 -1.206 9.978 3.399 1.00 4.87 H new ATOM 0 HG2 ARG A 33 -1.810 8.511 1.263 1.00 6.05 H new ATOM 0 HG3 ARG A 33 -1.639 7.153 2.357 1.00 6.05 H new ATOM 0 HD2 ARG A 33 -3.312 8.138 3.909 1.00 7.71 H new ATOM 0 HD3 ARG A 33 -3.419 9.584 2.924 1.00 7.71 H new ATOM 0 HE ARG A 33 -4.288 6.826 1.959 1.00 8.44 H new ATOM 0 HH11 ARG A 33 -3.623 9.665 0.542 1.00 8.62 H new ATOM 0 HH12 ARG A 33 -5.266 10.093 0.054 1.00 8.62 H new ATOM 0 HH21 ARG A 33 -6.693 7.534 2.020 1.00 10.51 H new ATOM 0 HH22 ARG A 33 -7.041 8.861 0.908 1.00 10.51 H new ATOM 514 N GLN A 34 1.237 10.523 0.415 1.00 1.65 N ATOM 515 CA GLN A 34 1.045 11.493 -0.709 1.00 2.11 C ATOM 516 C GLN A 34 0.005 10.831 -1.604 1.00 1.86 C ATOM 517 O GLN A 34 -0.856 11.463 -2.176 1.00 2.29 O ATOM 518 CB GLN A 34 2.382 11.700 -1.465 1.00 3.15 C ATOM 519 CG GLN A 34 2.173 12.465 -2.796 1.00 4.31 C ATOM 520 CD GLN A 34 2.021 11.475 -3.967 1.00 5.59 C ATOM 521 OE1 GLN A 34 1.272 10.528 -3.893 1.00 6.29 O ATOM 522 NE2 GLN A 34 2.694 11.651 -5.072 1.00 6.62 N ATOM 0 H GLN A 34 2.180 10.148 0.516 1.00 1.65 H new ATOM 0 HA GLN A 34 0.725 12.479 -0.372 1.00 2.11 H new ATOM 0 HB2 GLN A 34 3.076 12.253 -0.832 1.00 3.15 H new ATOM 0 HB3 GLN A 34 2.839 10.732 -1.669 1.00 3.15 H new ATOM 0 HG2 GLN A 34 1.286 13.094 -2.726 1.00 4.31 H new ATOM 0 HG3 GLN A 34 3.019 13.127 -2.979 1.00 4.31 H new ATOM 0 HE21 GLN A 34 3.332 12.442 -5.160 1.00 6.62 H new ATOM 0 HE22 GLN A 34 2.581 10.998 -5.847 1.00 6.62 H new ATOM 531 N ILE A 35 0.166 9.541 -1.676 1.00 1.71 N ATOM 532 CA ILE A 35 -0.736 8.668 -2.468 1.00 1.43 C ATOM 533 C ILE A 35 -2.155 8.684 -1.918 1.00 1.30 C ATOM 534 O ILE A 35 -2.435 9.271 -0.883 1.00 1.53 O ATOM 535 CB ILE A 35 -0.228 7.220 -2.369 1.00 1.35 C ATOM 536 CG1 ILE A 35 0.000 6.841 -0.892 1.00 1.42 C ATOM 537 CG2 ILE A 35 1.086 7.043 -3.107 1.00 1.71 C ATOM 538 CD1 ILE A 35 -1.185 6.030 -0.368 1.00 1.87 C ATOM 0 H ILE A 35 0.915 9.040 -1.199 1.00 1.71 H new ATOM 0 HA ILE A 35 -0.742 9.035 -3.494 1.00 1.43 H new ATOM 0 HB ILE A 35 -0.985 6.578 -2.820 1.00 1.35 H new ATOM 0 HG12 ILE A 35 0.918 6.262 -0.795 1.00 1.42 H new ATOM 0 HG13 ILE A 35 0.127 7.743 -0.293 1.00 1.42 H new ATOM 0 HG21 ILE A 35 1.417 6.008 -3.017 1.00 1.71 H new ATOM 0 HG22 ILE A 35 0.948 7.290 -4.160 1.00 1.71 H new ATOM 0 HG23 ILE A 35 1.838 7.703 -2.675 1.00 1.71 H new ATOM 0 HD11 ILE A 35 -1.013 5.768 0.676 1.00 1.87 H new ATOM 0 HD12 ILE A 35 -2.096 6.623 -0.448 1.00 1.87 H new ATOM 0 HD13 ILE A 35 -1.292 5.120 -0.958 1.00 1.87 H new ATOM 550 N ASP A 36 -3.023 7.994 -2.602 1.00 1.15 N ATOM 551 CA ASP A 36 -4.416 7.932 -2.118 1.00 1.11 C ATOM 552 C ASP A 36 -4.880 6.494 -2.101 1.00 0.98 C ATOM 553 O ASP A 36 -4.365 5.659 -2.829 1.00 1.04 O ATOM 554 CB ASP A 36 -5.350 8.749 -3.015 1.00 1.28 C ATOM 555 CG ASP A 36 -6.688 8.952 -2.298 1.00 2.21 C ATOM 556 OD1 ASP A 36 -6.649 9.134 -1.089 1.00 3.29 O ATOM 557 OD2 ASP A 36 -7.680 8.907 -2.999 1.00 3.32 O ATOM 0 H ASP A 36 -2.827 7.480 -3.461 1.00 1.15 H new ATOM 0 HA ASP A 36 -4.446 8.351 -1.112 1.00 1.11 H new ATOM 0 HB2 ASP A 36 -4.899 9.713 -3.247 1.00 1.28 H new ATOM 0 HB3 ASP A 36 -5.506 8.234 -3.963 1.00 1.28 H new ATOM 562 N PHE A 37 -5.865 6.253 -1.303 1.00 0.98 N ATOM 563 CA PHE A 37 -6.411 4.881 -1.203 1.00 0.90 C ATOM 564 C PHE A 37 -7.766 4.893 -1.899 1.00 1.07 C ATOM 565 O PHE A 37 -8.301 5.949 -2.194 1.00 1.64 O ATOM 566 CB PHE A 37 -6.554 4.488 0.271 1.00 0.97 C ATOM 567 CG PHE A 37 -5.190 4.544 1.001 1.00 1.00 C ATOM 568 CD1 PHE A 37 -4.016 4.113 0.409 1.00 1.82 C ATOM 569 CD2 PHE A 37 -5.160 4.935 2.328 1.00 1.49 C ATOM 570 CE1 PHE A 37 -2.845 4.077 1.138 1.00 1.98 C ATOM 571 CE2 PHE A 37 -3.987 4.899 3.051 1.00 1.77 C ATOM 572 CZ PHE A 37 -2.829 4.470 2.456 1.00 1.58 C ATOM 0 H PHE A 37 -6.320 6.948 -0.711 1.00 0.98 H new ATOM 0 HA PHE A 37 -5.751 4.152 -1.673 1.00 0.90 H new ATOM 0 HB2 PHE A 37 -7.260 5.158 0.762 1.00 0.97 H new ATOM 0 HB3 PHE A 37 -6.967 3.482 0.343 1.00 0.97 H new ATOM 0 HD1 PHE A 37 -4.016 3.804 -0.626 1.00 1.82 H new ATOM 0 HD2 PHE A 37 -6.069 5.273 2.804 1.00 1.49 H new ATOM 0 HE1 PHE A 37 -1.933 3.737 0.670 1.00 1.98 H new ATOM 0 HE2 PHE A 37 -3.980 5.209 4.086 1.00 1.77 H new ATOM 0 HZ PHE A 37 -1.908 4.441 3.020 1.00 1.58 H new ATOM 582 N TRP A 38 -8.274 3.737 -2.178 1.00 0.83 N ATOM 583 CA TRP A 38 -9.584 3.650 -2.881 1.00 1.02 C ATOM 584 C TRP A 38 -10.545 2.759 -2.098 1.00 1.04 C ATOM 585 O TRP A 38 -11.689 3.110 -1.845 1.00 1.30 O ATOM 586 CB TRP A 38 -9.293 3.053 -4.263 1.00 1.07 C ATOM 587 CG TRP A 38 -10.421 3.075 -5.296 1.00 1.51 C ATOM 588 CD1 TRP A 38 -11.668 3.617 -5.152 1.00 2.38 C ATOM 589 CD2 TRP A 38 -10.404 2.608 -6.586 1.00 1.88 C ATOM 590 NE1 TRP A 38 -12.339 3.489 -6.264 1.00 3.14 N ATOM 591 CE2 TRP A 38 -11.621 2.880 -7.184 1.00 2.85 C ATOM 592 CE3 TRP A 38 -9.396 1.948 -7.262 1.00 1.87 C ATOM 593 CZ2 TRP A 38 -11.857 2.502 -8.479 1.00 3.48 C ATOM 594 CZ3 TRP A 38 -9.648 1.566 -8.571 1.00 2.52 C ATOM 595 CH2 TRP A 38 -10.867 1.843 -9.174 1.00 3.22 C ATOM 0 H TRP A 38 -7.842 2.841 -1.952 1.00 0.83 H new ATOM 0 HA TRP A 38 -10.055 4.629 -2.971 1.00 1.02 H new ATOM 0 HB2 TRP A 38 -8.440 3.584 -4.686 1.00 1.07 H new ATOM 0 HB3 TRP A 38 -8.986 2.017 -4.123 1.00 1.07 H new ATOM 0 HD1 TRP A 38 -12.042 4.082 -4.252 1.00 2.38 H new ATOM 0 HE1 TRP A 38 -13.295 3.818 -6.402 1.00 3.14 H new ATOM 0 HE3 TRP A 38 -8.448 1.738 -6.789 1.00 1.87 H new ATOM 0 HZ2 TRP A 38 -12.805 2.717 -8.948 1.00 3.48 H new ATOM 0 HZ3 TRP A 38 -8.884 1.045 -9.130 1.00 2.52 H new ATOM 0 HH2 TRP A 38 -11.041 1.540 -10.196 1.00 3.22 H new ATOM 606 N LYS A 39 -10.058 1.597 -1.769 1.00 0.94 N ATOM 607 CA LYS A 39 -10.878 0.616 -1.012 1.00 1.09 C ATOM 608 C LYS A 39 -9.991 -0.031 0.067 1.00 1.11 C ATOM 609 O LYS A 39 -8.978 -0.622 -0.273 1.00 1.03 O ATOM 610 CB LYS A 39 -11.377 -0.455 -1.997 1.00 1.20 C ATOM 611 CG LYS A 39 -12.133 0.223 -3.163 1.00 2.16 C ATOM 612 CD LYS A 39 -12.442 -0.791 -4.278 1.00 2.58 C ATOM 613 CE LYS A 39 -11.148 -1.223 -4.992 1.00 3.14 C ATOM 614 NZ LYS A 39 -10.444 -0.059 -5.627 1.00 3.88 N ATOM 0 H LYS A 39 -9.115 1.282 -1.996 1.00 0.94 H new ATOM 0 HA LYS A 39 -11.731 1.100 -0.536 1.00 1.09 H new ATOM 0 HB2 LYS A 39 -10.535 -1.030 -2.382 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -12.034 -1.157 -1.484 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -13.061 0.660 -2.795 1.00 2.16 H new ATOM 0 HG3 LYS A 39 -11.534 1.040 -3.564 1.00 2.16 H new ATOM 0 HD2 LYS A 39 -12.939 -1.664 -3.855 1.00 2.58 H new ATOM 0 HD3 LYS A 39 -13.131 -0.349 -4.998 1.00 2.58 H new ATOM 0 HE2 LYS A 39 -10.481 -1.704 -4.276 1.00 3.14 H new ATOM 0 HE3 LYS A 39 -11.385 -1.965 -5.755 1.00 3.14 H new ATOM 0 HZ1 LYS A 39 -10.231 -0.282 -6.620 1.00 3.88 H new ATOM 0 HZ2 LYS A 39 -11.055 0.782 -5.584 1.00 3.88 H new ATOM 0 HZ3 LYS A 39 -9.557 0.131 -5.117 1.00 3.88 H new ATOM 628 N PRO A 40 -10.345 0.099 1.326 1.00 1.52 N ATOM 629 CA PRO A 40 -11.175 1.210 1.868 1.00 2.08 C ATOM 630 C PRO A 40 -10.472 2.572 1.732 1.00 2.38 C ATOM 631 O PRO A 40 -9.567 2.742 0.935 1.00 2.99 O ATOM 632 CB PRO A 40 -11.383 0.828 3.346 1.00 2.70 C ATOM 633 CG PRO A 40 -11.057 -0.677 3.435 1.00 2.42 C ATOM 634 CD PRO A 40 -10.013 -0.929 2.339 1.00 1.84 C ATOM 0 HA PRO A 40 -12.114 1.326 1.327 1.00 2.08 H new ATOM 0 HB2 PRO A 40 -10.730 1.410 3.997 1.00 2.70 H new ATOM 0 HB3 PRO A 40 -12.407 1.027 3.662 1.00 2.70 H new ATOM 0 HG2 PRO A 40 -10.666 -0.938 4.419 1.00 2.42 H new ATOM 0 HG3 PRO A 40 -11.949 -1.283 3.276 1.00 2.42 H new ATOM 0 HD2 PRO A 40 -8.996 -0.813 2.715 1.00 1.84 H new ATOM 0 HD3 PRO A 40 -10.089 -1.937 1.932 1.00 1.84 H new ATOM 642 N ASP A 41 -10.921 3.500 2.527 1.00 2.62 N ATOM 643 CA ASP A 41 -10.346 4.876 2.512 1.00 3.17 C ATOM 644 C ASP A 41 -9.084 4.953 3.369 1.00 2.57 C ATOM 645 O ASP A 41 -8.176 5.712 3.079 1.00 3.04 O ATOM 646 CB ASP A 41 -11.385 5.845 3.092 1.00 4.18 C ATOM 647 CG ASP A 41 -11.766 5.482 4.541 1.00 4.18 C ATOM 648 OD1 ASP A 41 -11.698 4.299 4.864 1.00 4.05 O ATOM 649 OD2 ASP A 41 -12.144 6.406 5.234 1.00 5.06 O ATOM 0 H ASP A 41 -11.676 3.362 3.199 1.00 2.62 H new ATOM 0 HA ASP A 41 -10.090 5.137 1.485 1.00 3.17 H new ATOM 0 HB2 ASP A 41 -10.989 6.860 3.064 1.00 4.18 H new ATOM 0 HB3 ASP A 41 -12.279 5.834 2.468 1.00 4.18 H new ATOM 654 N SER A 42 -9.085 4.201 4.423 1.00 2.01 N ATOM 655 CA SER A 42 -7.920 4.186 5.338 1.00 1.70 C ATOM 656 C SER A 42 -7.265 2.801 5.333 1.00 1.48 C ATOM 657 O SER A 42 -7.651 1.910 4.594 1.00 2.43 O ATOM 658 CB SER A 42 -8.426 4.543 6.746 1.00 1.91 C ATOM 659 OG SER A 42 -7.298 4.406 7.612 1.00 3.01 O ATOM 0 H SER A 42 -9.853 3.587 4.694 1.00 2.01 H new ATOM 0 HA SER A 42 -7.169 4.908 5.017 1.00 1.70 H new ATOM 0 HB2 SER A 42 -8.819 5.559 6.774 1.00 1.91 H new ATOM 0 HB3 SER A 42 -9.235 3.879 7.050 1.00 1.91 H new ATOM 0 HG SER A 42 -7.588 4.032 8.470 1.00 3.01 H new ATOM 665 N VAL A 43 -6.257 2.693 6.142 1.00 1.00 N ATOM 666 CA VAL A 43 -5.495 1.425 6.295 1.00 1.04 C ATOM 667 C VAL A 43 -5.575 0.994 7.766 1.00 1.14 C ATOM 668 O VAL A 43 -5.454 -0.167 8.090 1.00 1.85 O ATOM 669 CB VAL A 43 -4.037 1.679 5.864 1.00 1.43 C ATOM 670 CG1 VAL A 43 -3.407 2.760 6.756 1.00 1.71 C ATOM 671 CG2 VAL A 43 -3.218 0.381 5.977 1.00 2.06 C ATOM 0 H VAL A 43 -5.916 3.457 6.725 1.00 1.00 H new ATOM 0 HA VAL A 43 -5.907 0.630 5.673 1.00 1.04 H new ATOM 0 HB VAL A 43 -4.033 2.017 4.828 1.00 1.43 H new ATOM 0 HG11 VAL A 43 -2.377 2.934 6.445 1.00 1.71 H new ATOM 0 HG12 VAL A 43 -3.975 3.686 6.662 1.00 1.71 H new ATOM 0 HG13 VAL A 43 -3.422 2.429 7.794 1.00 1.71 H new ATOM 0 HG21 VAL A 43 -2.190 0.572 5.670 1.00 2.06 H new ATOM 0 HG22 VAL A 43 -3.230 0.032 7.010 1.00 2.06 H new ATOM 0 HG23 VAL A 43 -3.654 -0.382 5.331 1.00 2.06 H new ATOM 681 N THR A 44 -5.775 1.966 8.621 1.00 1.12 N ATOM 682 CA THR A 44 -5.874 1.704 10.090 1.00 1.33 C ATOM 683 C THR A 44 -6.656 0.425 10.389 1.00 1.36 C ATOM 684 O THR A 44 -6.233 -0.410 11.161 1.00 1.89 O ATOM 685 CB THR A 44 -6.587 2.894 10.746 1.00 1.59 C ATOM 686 OG1 THR A 44 -7.734 3.135 9.930 1.00 1.53 O ATOM 687 CG2 THR A 44 -5.758 4.180 10.654 1.00 1.91 C ATOM 0 H THR A 44 -5.875 2.946 8.358 1.00 1.12 H new ATOM 0 HA THR A 44 -4.867 1.578 10.488 1.00 1.33 H new ATOM 0 HB THR A 44 -6.787 2.664 11.793 1.00 1.59 H new ATOM 0 HG1 THR A 44 -8.242 3.889 10.295 1.00 1.53 H new ATOM 0 HG21 THR A 44 -6.300 4.997 11.131 1.00 1.91 H new ATOM 0 HG22 THR A 44 -4.803 4.034 11.159 1.00 1.91 H new ATOM 0 HG23 THR A 44 -5.581 4.424 9.607 1.00 1.91 H new ATOM 695 N GLN A 45 -7.766 0.295 9.724 1.00 1.23 N ATOM 696 CA GLN A 45 -8.643 -0.892 9.935 1.00 1.45 C ATOM 697 C GLN A 45 -8.296 -2.042 8.978 1.00 1.30 C ATOM 698 O GLN A 45 -9.160 -2.594 8.316 1.00 1.60 O ATOM 699 CB GLN A 45 -10.126 -0.470 9.764 1.00 1.86 C ATOM 700 CG GLN A 45 -10.271 0.831 8.939 1.00 2.89 C ATOM 701 CD GLN A 45 -9.672 0.692 7.531 1.00 4.35 C ATOM 702 OE1 GLN A 45 -9.169 1.633 6.973 1.00 5.72 O ATOM 703 NE2 GLN A 45 -9.701 -0.452 6.927 1.00 5.09 N ATOM 0 H GLN A 45 -8.109 0.965 9.036 1.00 1.23 H new ATOM 0 HA GLN A 45 -8.479 -1.262 10.947 1.00 1.45 H new ATOM 0 HB2 GLN A 45 -10.676 -1.273 9.273 1.00 1.86 H new ATOM 0 HB3 GLN A 45 -10.577 -0.328 10.746 1.00 1.86 H new ATOM 0 HG2 GLN A 45 -11.326 1.094 8.859 1.00 2.89 H new ATOM 0 HG3 GLN A 45 -9.777 1.649 9.463 1.00 2.89 H new ATOM 0 HE21 GLN A 45 -10.123 -1.260 7.385 1.00 5.09 H new ATOM 0 HE22 GLN A 45 -9.302 -0.546 5.993 1.00 5.09 H new ATOM 712 N ILE A 46 -7.037 -2.387 8.929 1.00 1.16 N ATOM 713 CA ILE A 46 -6.612 -3.517 8.047 1.00 1.11 C ATOM 714 C ILE A 46 -5.835 -4.542 8.880 1.00 1.13 C ATOM 715 O ILE A 46 -4.972 -4.177 9.657 1.00 1.24 O ATOM 716 CB ILE A 46 -5.712 -2.991 6.912 1.00 0.97 C ATOM 717 CG1 ILE A 46 -6.450 -1.990 6.030 1.00 1.27 C ATOM 718 CG2 ILE A 46 -5.150 -4.168 6.086 1.00 1.12 C ATOM 719 CD1 ILE A 46 -7.520 -2.702 5.255 1.00 1.96 C ATOM 0 H ILE A 46 -6.288 -1.940 9.457 1.00 1.16 H new ATOM 0 HA ILE A 46 -7.495 -3.986 7.613 1.00 1.11 H new ATOM 0 HB ILE A 46 -4.874 -2.458 7.361 1.00 0.97 H new ATOM 0 HG12 ILE A 46 -6.892 -1.205 6.643 1.00 1.27 H new ATOM 0 HG13 ILE A 46 -5.752 -1.506 5.347 1.00 1.27 H new ATOM 0 HG21 ILE A 46 -4.516 -3.782 5.288 1.00 1.12 H new ATOM 0 HG22 ILE A 46 -4.563 -4.819 6.733 1.00 1.12 H new ATOM 0 HG23 ILE A 46 -5.974 -4.735 5.653 1.00 1.12 H new ATOM 0 HD11 ILE A 46 -8.049 -1.988 4.624 1.00 1.96 H new ATOM 0 HD12 ILE A 46 -7.066 -3.471 4.631 1.00 1.96 H new ATOM 0 HD13 ILE A 46 -8.224 -3.165 5.947 1.00 1.96 H new ATOM 731 N LYS A 47 -6.159 -5.797 8.671 1.00 1.21 N ATOM 732 CA LYS A 47 -5.492 -6.935 9.390 1.00 1.30 C ATOM 733 C LYS A 47 -5.144 -7.983 8.309 1.00 0.99 C ATOM 734 O LYS A 47 -5.418 -7.749 7.150 1.00 0.97 O ATOM 735 CB LYS A 47 -6.466 -7.489 10.457 1.00 1.84 C ATOM 736 CG LYS A 47 -5.812 -7.473 11.868 1.00 3.62 C ATOM 737 CD LYS A 47 -5.403 -6.049 12.288 1.00 4.60 C ATOM 738 CE LYS A 47 -4.395 -6.129 13.448 1.00 6.47 C ATOM 739 NZ LYS A 47 -3.073 -6.659 12.985 1.00 7.35 N ATOM 0 H LYS A 47 -6.880 -6.089 8.012 1.00 1.21 H new ATOM 0 HA LYS A 47 -4.584 -6.637 9.913 1.00 1.30 H new ATOM 0 HB2 LYS A 47 -7.378 -6.892 10.468 1.00 1.84 H new ATOM 0 HB3 LYS A 47 -6.755 -8.507 10.197 1.00 1.84 H new ATOM 0 HG2 LYS A 47 -6.511 -7.882 12.598 1.00 3.62 H new ATOM 0 HG3 LYS A 47 -4.935 -8.120 11.870 1.00 3.62 H new ATOM 0 HD2 LYS A 47 -4.961 -5.521 11.443 1.00 4.60 H new ATOM 0 HD3 LYS A 47 -6.282 -5.481 12.594 1.00 4.60 H new ATOM 0 HE2 LYS A 47 -4.260 -5.139 13.884 1.00 6.47 H new ATOM 0 HE3 LYS A 47 -4.792 -6.772 14.234 1.00 6.47 H new ATOM 0 HZ1 LYS A 47 -2.761 -7.418 13.623 1.00 7.35 H new ATOM 0 HZ2 LYS A 47 -3.168 -7.035 12.020 1.00 7.35 H new ATOM 0 HZ3 LYS A 47 -2.371 -5.892 12.990 1.00 7.35 H new ATOM 753 N PRO A 48 -4.495 -9.067 8.682 1.00 0.96 N ATOM 754 CA PRO A 48 -4.069 -10.123 7.721 1.00 0.87 C ATOM 755 C PRO A 48 -5.240 -10.706 6.911 1.00 0.89 C ATOM 756 O PRO A 48 -6.387 -10.609 7.304 1.00 1.07 O ATOM 757 CB PRO A 48 -3.395 -11.179 8.606 1.00 1.03 C ATOM 758 CG PRO A 48 -3.009 -10.448 9.904 1.00 1.19 C ATOM 759 CD PRO A 48 -4.021 -9.306 10.053 1.00 1.18 C ATOM 0 HA PRO A 48 -3.401 -9.728 6.956 1.00 0.87 H new ATOM 0 HB2 PRO A 48 -4.072 -12.009 8.810 1.00 1.03 H new ATOM 0 HB3 PRO A 48 -2.516 -11.598 8.116 1.00 1.03 H new ATOM 0 HG2 PRO A 48 -3.050 -11.122 10.760 1.00 1.19 H new ATOM 0 HG3 PRO A 48 -1.990 -10.064 9.849 1.00 1.19 H new ATOM 0 HD2 PRO A 48 -4.841 -9.584 10.716 1.00 1.18 H new ATOM 0 HD3 PRO A 48 -3.557 -8.415 10.476 1.00 1.18 H new ATOM 767 N HIS A 49 -4.897 -11.314 5.800 1.00 0.96 N ATOM 768 CA HIS A 49 -5.921 -11.923 4.894 1.00 1.19 C ATOM 769 C HIS A 49 -6.780 -10.792 4.322 1.00 1.07 C ATOM 770 O HIS A 49 -7.988 -10.903 4.193 1.00 1.28 O ATOM 771 CB HIS A 49 -6.779 -12.923 5.685 1.00 1.49 C ATOM 772 CG HIS A 49 -5.952 -13.781 6.643 1.00 1.33 C ATOM 773 ND1 HIS A 49 -4.856 -14.372 6.253 1.00 2.24 N ATOM 774 CD2 HIS A 49 -6.112 -14.087 7.969 1.00 1.87 C ATOM 775 CE1 HIS A 49 -4.343 -15.022 7.273 1.00 2.62 C ATOM 776 NE2 HIS A 49 -5.114 -14.844 8.316 1.00 2.05 N ATOM 0 H HIS A 49 -3.934 -11.415 5.478 1.00 0.96 H new ATOM 0 HA HIS A 49 -5.445 -12.465 4.077 1.00 1.19 H new ATOM 0 HB2 HIS A 49 -7.535 -12.379 6.251 1.00 1.49 H new ATOM 0 HB3 HIS A 49 -7.309 -13.572 4.988 1.00 1.49 H new ATOM 0 HD2 HIS A 49 -6.919 -13.760 8.608 1.00 1.87 H new ATOM 0 HE1 HIS A 49 -3.435 -15.607 7.254 1.00 2.62 H new ATOM 0 HE2 HIS A 49 -4.958 -15.234 9.245 1.00 2.05 H new ATOM 784 N SER A 50 -6.094 -9.728 3.983 1.00 0.97 N ATOM 785 CA SER A 50 -6.765 -8.521 3.423 1.00 1.13 C ATOM 786 C SER A 50 -5.855 -7.865 2.370 1.00 1.31 C ATOM 787 O SER A 50 -4.773 -8.357 2.105 1.00 2.04 O ATOM 788 CB SER A 50 -7.011 -7.550 4.577 1.00 1.22 C ATOM 789 OG SER A 50 -7.799 -6.516 4.008 1.00 1.98 O ATOM 0 H SER A 50 -5.081 -9.647 4.073 1.00 0.97 H new ATOM 0 HA SER A 50 -7.707 -8.790 2.945 1.00 1.13 H new ATOM 0 HB2 SER A 50 -7.531 -8.037 5.402 1.00 1.22 H new ATOM 0 HB3 SER A 50 -6.074 -7.161 4.976 1.00 1.22 H new ATOM 0 HG SER A 50 -8.003 -5.846 4.693 1.00 1.98 H new ATOM 795 N THR A 51 -6.318 -6.790 1.767 1.00 1.28 N ATOM 796 CA THR A 51 -5.506 -6.069 0.745 1.00 1.50 C ATOM 797 C THR A 51 -5.876 -4.576 0.732 1.00 1.50 C ATOM 798 O THR A 51 -6.996 -4.247 1.065 1.00 1.58 O ATOM 799 CB THR A 51 -5.825 -6.634 -0.639 1.00 1.76 C ATOM 800 OG1 THR A 51 -7.157 -6.224 -0.929 1.00 2.42 O ATOM 801 CG2 THR A 51 -5.892 -8.165 -0.663 1.00 1.86 C ATOM 0 H THR A 51 -7.236 -6.382 1.946 1.00 1.28 H new ATOM 0 HA THR A 51 -4.451 -6.194 0.988 1.00 1.50 H new ATOM 0 HB THR A 51 -5.052 -6.292 -1.327 1.00 1.76 H new ATOM 0 HG1 THR A 51 -7.417 -6.559 -1.812 1.00 2.42 H new ATOM 0 HG21 THR A 51 -6.122 -8.503 -1.673 1.00 1.86 H new ATOM 0 HG22 THR A 51 -4.931 -8.576 -0.352 1.00 1.86 H new ATOM 0 HG23 THR A 51 -6.670 -8.506 0.020 1.00 1.86 H new ATOM 809 N VAL A 52 -4.975 -3.728 0.300 1.00 1.48 N ATOM 810 CA VAL A 52 -5.295 -2.263 0.228 1.00 1.49 C ATOM 811 C VAL A 52 -5.286 -1.881 -1.262 1.00 1.22 C ATOM 812 O VAL A 52 -4.347 -2.232 -1.963 1.00 1.32 O ATOM 813 CB VAL A 52 -4.243 -1.458 1.013 1.00 1.69 C ATOM 814 CG1 VAL A 52 -4.683 0.014 1.092 1.00 2.52 C ATOM 815 CG2 VAL A 52 -4.122 -2.037 2.435 1.00 1.77 C ATOM 0 H VAL A 52 -4.036 -3.982 -0.005 1.00 1.48 H new ATOM 0 HA VAL A 52 -6.266 -2.043 0.670 1.00 1.49 H new ATOM 0 HB VAL A 52 -3.278 -1.521 0.510 1.00 1.69 H new ATOM 0 HG11 VAL A 52 -3.940 0.587 1.647 1.00 2.52 H new ATOM 0 HG12 VAL A 52 -4.776 0.421 0.085 1.00 2.52 H new ATOM 0 HG13 VAL A 52 -5.645 0.079 1.600 1.00 2.52 H new ATOM 0 HG21 VAL A 52 -3.378 -1.471 2.996 1.00 1.77 H new ATOM 0 HG22 VAL A 52 -5.086 -1.969 2.939 1.00 1.77 H new ATOM 0 HG23 VAL A 52 -3.816 -3.082 2.378 1.00 1.77 H new ATOM 825 N ASP A 53 -6.291 -1.156 -1.698 1.00 0.98 N ATOM 826 CA ASP A 53 -6.403 -0.774 -3.150 1.00 0.87 C ATOM 827 C ASP A 53 -6.087 0.728 -3.363 1.00 0.79 C ATOM 828 O ASP A 53 -6.535 1.551 -2.584 1.00 0.94 O ATOM 829 CB ASP A 53 -7.857 -1.102 -3.534 1.00 1.21 C ATOM 830 CG ASP A 53 -7.990 -1.399 -5.020 1.00 1.54 C ATOM 831 OD1 ASP A 53 -7.703 -0.500 -5.777 1.00 2.94 O ATOM 832 OD2 ASP A 53 -8.448 -2.486 -5.319 1.00 2.29 O ATOM 0 H ASP A 53 -7.046 -0.808 -1.107 1.00 0.98 H new ATOM 0 HA ASP A 53 -5.687 -1.314 -3.770 1.00 0.87 H new ATOM 0 HB2 ASP A 53 -8.201 -1.961 -2.958 1.00 1.21 H new ATOM 0 HB3 ASP A 53 -8.502 -0.263 -3.271 1.00 1.21 H new ATOM 837 N PHE A 54 -5.376 1.061 -4.434 1.00 0.97 N ATOM 838 CA PHE A 54 -4.983 2.490 -4.726 1.00 1.22 C ATOM 839 C PHE A 54 -5.434 2.869 -6.148 1.00 1.53 C ATOM 840 O PHE A 54 -6.050 2.063 -6.819 1.00 2.17 O ATOM 841 CB PHE A 54 -3.446 2.628 -4.677 1.00 1.92 C ATOM 842 CG PHE A 54 -2.854 2.102 -3.359 1.00 0.98 C ATOM 843 CD1 PHE A 54 -3.074 0.802 -2.937 1.00 1.45 C ATOM 844 CD2 PHE A 54 -2.036 2.916 -2.600 1.00 1.56 C ATOM 845 CE1 PHE A 54 -2.501 0.333 -1.783 1.00 2.18 C ATOM 846 CE2 PHE A 54 -1.444 2.435 -1.448 1.00 2.56 C ATOM 847 CZ PHE A 54 -1.682 1.144 -1.036 1.00 2.78 C ATOM 0 H PHE A 54 -5.048 0.388 -5.127 1.00 0.97 H new ATOM 0 HA PHE A 54 -5.452 3.137 -3.985 1.00 1.22 H new ATOM 0 HB2 PHE A 54 -3.008 2.082 -5.513 1.00 1.92 H new ATOM 0 HB3 PHE A 54 -3.173 3.676 -4.802 1.00 1.92 H new ATOM 0 HD1 PHE A 54 -3.704 0.150 -3.523 1.00 1.45 H new ATOM 0 HD2 PHE A 54 -1.858 3.935 -2.909 1.00 1.56 H new ATOM 0 HE1 PHE A 54 -2.695 -0.679 -1.460 1.00 2.18 H new ATOM 0 HE2 PHE A 54 -0.793 3.074 -0.870 1.00 2.56 H new ATOM 0 HZ PHE A 54 -1.227 0.770 -0.130 1.00 2.78 H new ATOM 857 N ARG A 55 -5.113 4.072 -6.589 1.00 1.69 N ATOM 858 CA ARG A 55 -5.518 4.479 -7.980 1.00 2.24 C ATOM 859 C ARG A 55 -4.317 5.046 -8.751 1.00 2.53 C ATOM 860 O ARG A 55 -3.240 5.165 -8.198 1.00 2.68 O ATOM 861 CB ARG A 55 -6.639 5.508 -7.889 1.00 2.65 C ATOM 862 CG ARG A 55 -7.845 4.831 -7.225 1.00 3.78 C ATOM 863 CD ARG A 55 -8.995 5.827 -7.091 1.00 4.66 C ATOM 864 NE ARG A 55 -8.413 7.134 -6.689 1.00 4.66 N ATOM 865 CZ ARG A 55 -8.481 7.527 -5.457 1.00 5.54 C ATOM 866 NH1 ARG A 55 -7.968 6.785 -4.524 1.00 6.01 N ATOM 867 NH2 ARG A 55 -9.039 8.663 -5.217 1.00 6.54 N ATOM 0 H ARG A 55 -4.599 4.775 -6.057 1.00 1.69 H new ATOM 0 HA ARG A 55 -5.875 3.605 -8.525 1.00 2.24 H new ATOM 0 HB2 ARG A 55 -6.318 6.372 -7.307 1.00 2.65 H new ATOM 0 HB3 ARG A 55 -6.904 5.873 -8.881 1.00 2.65 H new ATOM 0 HG2 ARG A 55 -8.163 3.973 -7.818 1.00 3.78 H new ATOM 0 HG3 ARG A 55 -7.564 4.453 -6.242 1.00 3.78 H new ATOM 0 HD2 ARG A 55 -9.532 5.921 -8.035 1.00 4.66 H new ATOM 0 HD3 ARG A 55 -9.715 5.483 -6.348 1.00 4.66 H new ATOM 0 HE ARG A 55 -7.958 7.724 -7.386 1.00 4.66 H new ATOM 0 HH11 ARG A 55 -7.517 5.902 -4.765 1.00 6.01 H new ATOM 0 HH12 ARG A 55 -8.016 7.085 -3.550 1.00 6.01 H new ATOM 0 HH21 ARG A 55 -9.410 9.222 -5.986 1.00 6.54 H new ATOM 0 HH22 ARG A 55 -9.110 9.004 -4.258 1.00 6.54 H new ATOM 881 N VAL A 56 -4.540 5.384 -10.002 1.00 3.12 N ATOM 882 CA VAL A 56 -3.436 5.916 -10.846 1.00 3.65 C ATOM 883 C VAL A 56 -2.962 7.298 -10.399 1.00 2.51 C ATOM 884 O VAL A 56 -3.687 8.047 -9.779 1.00 2.81 O ATOM 885 CB VAL A 56 -3.907 5.993 -12.313 1.00 5.25 C ATOM 886 CG1 VAL A 56 -4.743 4.769 -12.709 1.00 6.98 C ATOM 887 CG2 VAL A 56 -4.754 7.254 -12.567 1.00 6.07 C ATOM 0 H VAL A 56 -5.444 5.311 -10.469 1.00 3.12 H new ATOM 0 HA VAL A 56 -2.593 5.233 -10.742 1.00 3.65 H new ATOM 0 HB VAL A 56 -3.001 6.026 -12.919 1.00 5.25 H new ATOM 0 HG11 VAL A 56 -5.055 4.862 -13.749 1.00 6.98 H new ATOM 0 HG12 VAL A 56 -4.145 3.866 -12.589 1.00 6.98 H new ATOM 0 HG13 VAL A 56 -5.624 4.708 -12.070 1.00 6.98 H new ATOM 0 HG21 VAL A 56 -5.069 7.277 -13.610 1.00 6.07 H new ATOM 0 HG22 VAL A 56 -5.633 7.238 -11.923 1.00 6.07 H new ATOM 0 HG23 VAL A 56 -4.160 8.141 -12.348 1.00 6.07 H new ATOM 897 N LYS A 57 -1.741 7.606 -10.755 1.00 2.49 N ATOM 898 CA LYS A 57 -1.137 8.905 -10.392 1.00 1.67 C ATOM 899 C LYS A 57 0.186 9.038 -11.157 1.00 1.66 C ATOM 900 O LYS A 57 0.666 8.049 -11.660 1.00 2.68 O ATOM 901 CB LYS A 57 -0.922 8.867 -8.889 1.00 2.25 C ATOM 902 CG LYS A 57 -0.020 7.687 -8.481 1.00 4.05 C ATOM 903 CD LYS A 57 -0.361 7.244 -7.051 1.00 5.16 C ATOM 904 CE LYS A 57 -0.543 8.460 -6.135 1.00 5.00 C ATOM 905 NZ LYS A 57 0.669 9.331 -6.136 1.00 4.85 N ATOM 0 H LYS A 57 -1.131 6.992 -11.294 1.00 2.49 H new ATOM 0 HA LYS A 57 -1.761 9.761 -10.649 1.00 1.67 H new ATOM 0 HB2 LYS A 57 -0.470 9.803 -8.561 1.00 2.25 H new ATOM 0 HB3 LYS A 57 -1.884 8.783 -8.384 1.00 2.25 H new ATOM 0 HG2 LYS A 57 -0.158 6.855 -9.172 1.00 4.05 H new ATOM 0 HG3 LYS A 57 1.028 7.980 -8.541 1.00 4.05 H new ATOM 0 HD2 LYS A 57 -1.274 6.648 -7.058 1.00 5.16 H new ATOM 0 HD3 LYS A 57 0.434 6.606 -6.663 1.00 5.16 H new ATOM 0 HE2 LYS A 57 -1.408 9.037 -6.462 1.00 5.00 H new ATOM 0 HE3 LYS A 57 -0.750 8.124 -5.119 1.00 5.00 H new ATOM 0 HZ1 LYS A 57 0.674 9.920 -5.279 1.00 4.85 H new ATOM 0 HZ2 LYS A 57 1.523 8.738 -6.153 1.00 4.85 H new ATOM 0 HZ3 LYS A 57 0.656 9.943 -6.977 1.00 4.85 H new ATOM 919 N ALA A 58 0.749 10.213 -11.265 1.00 1.57 N ATOM 920 CA ALA A 58 2.038 10.315 -12.025 1.00 1.70 C ATOM 921 C ALA A 58 2.946 11.415 -11.499 1.00 2.01 C ATOM 922 O ALA A 58 3.598 12.140 -12.236 1.00 3.13 O ATOM 923 CB ALA A 58 1.703 10.636 -13.439 1.00 1.94 C ATOM 0 H ALA A 58 0.389 11.084 -10.875 1.00 1.57 H new ATOM 0 HA ALA A 58 2.568 9.368 -11.919 1.00 1.70 H new ATOM 0 HB1 ALA A 58 2.621 10.717 -14.021 1.00 1.94 H new ATOM 0 HB2 ALA A 58 1.079 9.844 -13.854 1.00 1.94 H new ATOM 0 HB3 ALA A 58 1.163 11.582 -13.479 1.00 1.94 H new ATOM 929 N GLU A 59 2.920 11.501 -10.232 1.00 1.90 N ATOM 930 CA GLU A 59 3.753 12.516 -9.509 1.00 2.31 C ATOM 931 C GLU A 59 4.881 11.825 -8.743 1.00 1.97 C ATOM 932 O GLU A 59 6.033 12.189 -8.898 1.00 2.53 O ATOM 933 CB GLU A 59 2.902 13.300 -8.488 1.00 2.84 C ATOM 934 CG GLU A 59 1.432 13.358 -8.928 1.00 3.23 C ATOM 935 CD GLU A 59 0.739 12.004 -8.709 1.00 3.74 C ATOM 936 OE1 GLU A 59 1.282 11.185 -7.962 1.00 4.39 O ATOM 937 OE2 GLU A 59 -0.296 11.852 -9.322 1.00 4.38 O ATOM 0 H GLU A 59 2.351 10.908 -9.628 1.00 1.90 H new ATOM 0 HA GLU A 59 4.159 13.198 -10.256 1.00 2.31 H new ATOM 0 HB2 GLU A 59 2.974 12.826 -7.509 1.00 2.84 H new ATOM 0 HB3 GLU A 59 3.294 14.312 -8.382 1.00 2.84 H new ATOM 0 HG2 GLU A 59 0.911 14.133 -8.366 1.00 3.23 H new ATOM 0 HG3 GLU A 59 1.374 13.634 -9.981 1.00 3.23 H new ATOM 944 N ASP A 60 4.520 10.849 -7.937 1.00 1.69 N ATOM 945 CA ASP A 60 5.570 10.131 -7.134 1.00 1.89 C ATOM 946 C ASP A 60 5.720 8.671 -7.558 1.00 1.60 C ATOM 947 O ASP A 60 6.796 8.137 -7.402 1.00 2.28 O ATOM 948 CB ASP A 60 5.256 10.192 -5.617 1.00 2.66 C ATOM 949 CG ASP A 60 4.094 9.269 -5.197 1.00 3.73 C ATOM 950 OD1 ASP A 60 3.218 9.044 -6.035 1.00 4.26 O ATOM 951 OD2 ASP A 60 4.104 8.891 -4.033 1.00 4.87 O ATOM 0 H ASP A 60 3.563 10.523 -7.801 1.00 1.69 H new ATOM 0 HA ASP A 60 6.511 10.646 -7.330 1.00 1.89 H new ATOM 0 HB2 ASP A 60 6.150 9.917 -5.057 1.00 2.66 H new ATOM 0 HB3 ASP A 60 5.012 11.219 -5.345 1.00 2.66 H new ATOM 956 N ILE A 61 4.650 8.080 -8.069 1.00 1.23 N ATOM 957 CA ILE A 61 4.654 6.638 -8.531 1.00 1.02 C ATOM 958 C ILE A 61 5.878 5.872 -8.013 1.00 1.02 C ATOM 959 O ILE A 61 5.786 5.145 -7.041 1.00 1.62 O ATOM 960 CB ILE A 61 4.636 6.629 -10.084 1.00 1.29 C ATOM 961 CG1 ILE A 61 3.248 7.044 -10.616 1.00 1.64 C ATOM 962 CG2 ILE A 61 5.001 5.235 -10.646 1.00 1.81 C ATOM 963 CD1 ILE A 61 2.208 5.948 -10.337 1.00 2.39 C ATOM 0 H ILE A 61 3.752 8.549 -8.188 1.00 1.23 H new ATOM 0 HA ILE A 61 3.774 6.136 -8.130 1.00 1.02 H new ATOM 0 HB ILE A 61 5.384 7.348 -10.419 1.00 1.29 H new ATOM 0 HG12 ILE A 61 2.936 7.976 -10.145 1.00 1.64 H new ATOM 0 HG13 ILE A 61 3.306 7.233 -11.688 1.00 1.64 H new ATOM 0 HG21 ILE A 61 4.979 5.265 -11.735 1.00 1.81 H new ATOM 0 HG22 ILE A 61 6.001 4.958 -10.311 1.00 1.81 H new ATOM 0 HG23 ILE A 61 4.281 4.499 -10.288 1.00 1.81 H new ATOM 0 HD11 ILE A 61 1.237 6.262 -10.720 1.00 2.39 H new ATOM 0 HD12 ILE A 61 2.512 5.024 -10.830 1.00 2.39 H new ATOM 0 HD13 ILE A 61 2.137 5.779 -9.263 1.00 2.39 H new ATOM 975 N LEU A 62 6.975 6.070 -8.695 1.00 0.97 N ATOM 976 CA LEU A 62 8.263 5.423 -8.332 1.00 1.03 C ATOM 977 C LEU A 62 8.381 5.141 -6.835 1.00 1.02 C ATOM 978 O LEU A 62 8.689 4.047 -6.450 1.00 1.22 O ATOM 979 CB LEU A 62 9.392 6.367 -8.769 1.00 1.32 C ATOM 980 CG LEU A 62 10.771 5.797 -8.389 1.00 2.78 C ATOM 981 CD1 LEU A 62 11.073 4.544 -9.226 1.00 3.46 C ATOM 982 CD2 LEU A 62 11.842 6.863 -8.660 1.00 3.57 C ATOM 0 H LEU A 62 7.029 6.674 -9.515 1.00 0.97 H new ATOM 0 HA LEU A 62 8.323 4.458 -8.835 1.00 1.03 H new ATOM 0 HB2 LEU A 62 9.344 6.522 -9.847 1.00 1.32 H new ATOM 0 HB3 LEU A 62 9.257 7.342 -8.301 1.00 1.32 H new ATOM 0 HG LEU A 62 10.773 5.525 -7.333 1.00 2.78 H new ATOM 0 HD11 LEU A 62 12.050 4.149 -8.950 1.00 3.46 H new ATOM 0 HD12 LEU A 62 10.310 3.789 -9.039 1.00 3.46 H new ATOM 0 HD13 LEU A 62 11.073 4.805 -10.284 1.00 3.46 H new ATOM 0 HD21 LEU A 62 12.823 6.469 -8.394 1.00 3.57 H new ATOM 0 HD22 LEU A 62 11.832 7.128 -9.717 1.00 3.57 H new ATOM 0 HD23 LEU A 62 11.633 7.750 -8.061 1.00 3.57 H new ATOM 994 N ALA A 63 8.144 6.137 -6.029 1.00 1.05 N ATOM 995 CA ALA A 63 8.273 5.934 -4.554 1.00 1.14 C ATOM 996 C ALA A 63 7.344 4.842 -4.023 1.00 1.00 C ATOM 997 O ALA A 63 7.748 4.035 -3.212 1.00 1.17 O ATOM 998 CB ALA A 63 7.965 7.257 -3.843 1.00 1.43 C ATOM 0 H ALA A 63 7.869 7.075 -6.321 1.00 1.05 H new ATOM 0 HA ALA A 63 9.294 5.609 -4.353 1.00 1.14 H new ATOM 0 HB1 ALA A 63 8.056 7.121 -2.765 1.00 1.43 H new ATOM 0 HB2 ALA A 63 8.670 8.020 -4.173 1.00 1.43 H new ATOM 0 HB3 ALA A 63 6.950 7.572 -4.084 1.00 1.43 H new ATOM 1004 N VAL A 64 6.124 4.838 -4.469 1.00 0.99 N ATOM 1005 CA VAL A 64 5.184 3.794 -3.968 1.00 0.91 C ATOM 1006 C VAL A 64 5.619 2.457 -4.552 1.00 0.75 C ATOM 1007 O VAL A 64 5.796 1.475 -3.845 1.00 0.75 O ATOM 1008 CB VAL A 64 3.750 4.086 -4.438 1.00 0.99 C ATOM 1009 CG1 VAL A 64 2.776 3.328 -3.526 1.00 1.24 C ATOM 1010 CG2 VAL A 64 3.460 5.590 -4.394 1.00 1.10 C ATOM 0 H VAL A 64 5.738 5.497 -5.146 1.00 0.99 H new ATOM 0 HA VAL A 64 5.202 3.782 -2.878 1.00 0.91 H new ATOM 0 HB VAL A 64 3.629 3.755 -5.470 1.00 0.99 H new ATOM 0 HG11 VAL A 64 1.752 3.523 -3.845 1.00 1.24 H new ATOM 0 HG12 VAL A 64 2.977 2.259 -3.588 1.00 1.24 H new ATOM 0 HG13 VAL A 64 2.906 3.663 -2.497 1.00 1.24 H new ATOM 0 HG21 VAL A 64 2.440 5.774 -4.731 1.00 1.10 H new ATOM 0 HG22 VAL A 64 3.576 5.953 -3.373 1.00 1.10 H new ATOM 0 HG23 VAL A 64 4.158 6.114 -5.047 1.00 1.10 H new ATOM 1020 N GLU A 65 5.763 2.486 -5.847 1.00 0.77 N ATOM 1021 CA GLU A 65 6.183 1.285 -6.601 1.00 0.77 C ATOM 1022 C GLU A 65 7.449 0.695 -5.948 1.00 0.72 C ATOM 1023 O GLU A 65 7.531 -0.490 -5.679 1.00 0.82 O ATOM 1024 CB GLU A 65 6.463 1.736 -8.042 1.00 1.00 C ATOM 1025 CG GLU A 65 5.238 2.421 -8.660 1.00 1.45 C ATOM 1026 CD GLU A 65 4.386 1.368 -9.355 1.00 1.80 C ATOM 1027 OE1 GLU A 65 3.855 0.551 -8.626 1.00 3.10 O ATOM 1028 OE2 GLU A 65 4.327 1.437 -10.571 1.00 2.37 O ATOM 0 H GLU A 65 5.602 3.313 -6.422 1.00 0.77 H new ATOM 0 HA GLU A 65 5.414 0.512 -6.596 1.00 0.77 H new ATOM 0 HB2 GLU A 65 7.310 2.422 -8.052 1.00 1.00 H new ATOM 0 HB3 GLU A 65 6.744 0.874 -8.647 1.00 1.00 H new ATOM 0 HG2 GLU A 65 4.658 2.926 -7.887 1.00 1.45 H new ATOM 0 HG3 GLU A 65 5.552 3.184 -9.373 1.00 1.45 H new ATOM 1035 N ASP A 66 8.375 1.570 -5.641 1.00 0.75 N ATOM 1036 CA ASP A 66 9.662 1.143 -5.013 1.00 0.78 C ATOM 1037 C ASP A 66 9.419 0.719 -3.572 1.00 0.71 C ATOM 1038 O ASP A 66 9.844 -0.334 -3.164 1.00 0.75 O ATOM 1039 CB ASP A 66 10.669 2.315 -5.021 1.00 0.81 C ATOM 1040 CG ASP A 66 12.116 1.787 -4.902 1.00 1.47 C ATOM 1041 OD1 ASP A 66 12.359 0.691 -5.382 1.00 2.58 O ATOM 1042 OD2 ASP A 66 12.916 2.540 -4.371 1.00 2.16 O ATOM 0 H ASP A 66 8.292 2.574 -5.801 1.00 0.75 H new ATOM 0 HA ASP A 66 10.066 0.306 -5.583 1.00 0.78 H new ATOM 0 HB2 ASP A 66 10.560 2.889 -5.941 1.00 0.81 H new ATOM 0 HB3 ASP A 66 10.454 2.993 -4.195 1.00 0.81 H new ATOM 1047 N PHE A 67 8.749 1.555 -2.832 1.00 0.64 N ATOM 1048 CA PHE A 67 8.460 1.218 -1.402 1.00 0.63 C ATOM 1049 C PHE A 67 7.822 -0.167 -1.298 1.00 0.67 C ATOM 1050 O PHE A 67 8.040 -0.908 -0.355 1.00 0.90 O ATOM 1051 CB PHE A 67 7.497 2.252 -0.824 1.00 0.66 C ATOM 1052 CG PHE A 67 7.262 1.910 0.648 1.00 0.70 C ATOM 1053 CD1 PHE A 67 8.138 2.352 1.625 1.00 0.88 C ATOM 1054 CD2 PHE A 67 6.243 1.044 0.997 1.00 0.69 C ATOM 1055 CE1 PHE A 67 8.001 1.918 2.928 1.00 0.94 C ATOM 1056 CE2 PHE A 67 6.108 0.617 2.295 1.00 0.77 C ATOM 1057 CZ PHE A 67 6.986 1.044 3.260 1.00 0.84 C ATOM 0 H PHE A 67 8.388 2.455 -3.149 1.00 0.64 H new ATOM 0 HA PHE A 67 9.397 1.222 -0.845 1.00 0.63 H new ATOM 0 HB2 PHE A 67 7.913 3.255 -0.920 1.00 0.66 H new ATOM 0 HB3 PHE A 67 6.555 2.243 -1.372 1.00 0.66 H new ATOM 0 HD1 PHE A 67 8.931 3.038 1.367 1.00 0.88 H new ATOM 0 HD2 PHE A 67 5.549 0.701 0.244 1.00 0.69 H new ATOM 0 HE1 PHE A 67 8.688 2.262 3.687 1.00 0.94 H new ATOM 0 HE2 PHE A 67 5.307 -0.058 2.558 1.00 0.77 H new ATOM 0 HZ PHE A 67 6.883 0.697 4.277 1.00 0.84 H new ATOM 1067 N LEU A 68 6.988 -0.444 -2.249 1.00 0.61 N ATOM 1068 CA LEU A 68 6.296 -1.759 -2.275 1.00 0.72 C ATOM 1069 C LEU A 68 7.213 -2.831 -2.848 1.00 0.80 C ATOM 1070 O LEU A 68 7.273 -3.925 -2.318 1.00 1.02 O ATOM 1071 CB LEU A 68 5.043 -1.673 -3.159 1.00 0.90 C ATOM 1072 CG LEU A 68 3.982 -0.768 -2.513 1.00 1.02 C ATOM 1073 CD1 LEU A 68 2.870 -0.488 -3.532 1.00 1.23 C ATOM 1074 CD2 LEU A 68 3.364 -1.489 -1.307 1.00 1.04 C ATOM 0 H LEU A 68 6.752 0.185 -3.016 1.00 0.61 H new ATOM 0 HA LEU A 68 6.020 -2.018 -1.253 1.00 0.72 H new ATOM 0 HB2 LEU A 68 5.311 -1.283 -4.141 1.00 0.90 H new ATOM 0 HB3 LEU A 68 4.632 -2.671 -3.313 1.00 0.90 H new ATOM 0 HG LEU A 68 4.447 0.165 -2.195 1.00 1.02 H new ATOM 0 HD11 LEU A 68 2.114 0.154 -3.079 1.00 1.23 H new ATOM 0 HD12 LEU A 68 3.293 0.010 -4.405 1.00 1.23 H new ATOM 0 HD13 LEU A 68 2.411 -1.428 -3.838 1.00 1.23 H new ATOM 0 HD21 LEU A 68 2.611 -0.849 -0.847 1.00 1.04 H new ATOM 0 HD22 LEU A 68 2.898 -2.417 -1.638 1.00 1.04 H new ATOM 0 HD23 LEU A 68 4.143 -1.713 -0.579 1.00 1.04 H new ATOM 1086 N GLU A 69 7.927 -2.489 -3.882 1.00 0.89 N ATOM 1087 CA GLU A 69 8.819 -3.492 -4.523 1.00 1.07 C ATOM 1088 C GLU A 69 10.118 -3.651 -3.747 1.00 1.08 C ATOM 1089 O GLU A 69 10.382 -4.715 -3.228 1.00 1.12 O ATOM 1090 CB GLU A 69 9.088 -3.041 -5.971 1.00 1.40 C ATOM 1091 CG GLU A 69 9.862 -4.122 -6.743 1.00 1.41 C ATOM 1092 CD GLU A 69 9.417 -4.120 -8.213 1.00 2.35 C ATOM 1093 OE1 GLU A 69 9.824 -3.198 -8.898 1.00 2.94 O ATOM 1094 OE2 GLU A 69 8.670 -5.028 -8.548 1.00 3.55 O ATOM 0 H GLU A 69 7.932 -1.563 -4.309 1.00 0.89 H new ATOM 0 HA GLU A 69 8.334 -4.468 -4.524 1.00 1.07 H new ATOM 0 HB2 GLU A 69 8.143 -2.834 -6.474 1.00 1.40 H new ATOM 0 HB3 GLU A 69 9.658 -2.112 -5.968 1.00 1.40 H new ATOM 0 HG2 GLU A 69 10.934 -3.934 -6.676 1.00 1.41 H new ATOM 0 HG3 GLU A 69 9.681 -5.101 -6.299 1.00 1.41 H new ATOM 1101 N GLN A 70 10.884 -2.600 -3.663 1.00 1.18 N ATOM 1102 CA GLN A 70 12.183 -2.665 -2.924 1.00 1.41 C ATOM 1103 C GLN A 70 12.092 -3.521 -1.649 1.00 1.35 C ATOM 1104 O GLN A 70 13.066 -4.151 -1.281 1.00 1.56 O ATOM 1105 CB GLN A 70 12.644 -1.241 -2.579 1.00 1.63 C ATOM 1106 CG GLN A 70 14.035 -1.311 -1.917 1.00 1.97 C ATOM 1107 CD GLN A 70 14.775 0.032 -1.992 1.00 2.45 C ATOM 1108 OE1 GLN A 70 14.348 0.984 -2.769 1.00 3.03 O flip ATOM 1109 NE2 GLN A 70 15.783 0.219 -1.350 1.00 2.69 N flip ATOM 0 H GLN A 70 10.668 -1.692 -4.075 1.00 1.18 H new ATOM 0 HA GLN A 70 12.913 -3.147 -3.575 1.00 1.41 H new ATOM 0 HB2 GLN A 70 12.686 -0.630 -3.481 1.00 1.63 H new ATOM 0 HB3 GLN A 70 11.930 -0.767 -1.906 1.00 1.63 H new ATOM 0 HG2 GLN A 70 13.926 -1.607 -0.874 1.00 1.97 H new ATOM 0 HG3 GLN A 70 14.631 -2.081 -2.406 1.00 1.97 H new ATOM 0 HE21 GLN A 70 16.138 -0.512 -0.734 1.00 2.69 H new ATOM 0 HE22 GLN A 70 16.278 1.108 -1.425 1.00 2.69 H new ATOM 1118 N ASN A 71 10.957 -3.511 -0.993 1.00 1.17 N ATOM 1119 CA ASN A 71 10.822 -4.330 0.247 1.00 1.25 C ATOM 1120 C ASN A 71 10.136 -5.672 -0.036 1.00 1.23 C ATOM 1121 O ASN A 71 10.485 -6.662 0.566 1.00 2.19 O ATOM 1122 CB ASN A 71 9.972 -3.566 1.268 1.00 1.26 C ATOM 1123 CG ASN A 71 10.521 -2.153 1.487 1.00 1.63 C ATOM 1124 OD1 ASN A 71 11.619 -1.817 1.095 1.00 2.87 O ATOM 1125 ND2 ASN A 71 9.789 -1.293 2.118 1.00 1.42 N ATOM 0 H ASN A 71 10.129 -2.978 -1.260 1.00 1.17 H new ATOM 0 HA ASN A 71 11.824 -4.519 0.631 1.00 1.25 H new ATOM 0 HB2 ASN A 71 8.941 -3.510 0.920 1.00 1.26 H new ATOM 0 HB3 ASN A 71 9.960 -4.107 2.214 1.00 1.26 H new ATOM 0 HD21 ASN A 71 10.137 -0.348 2.280 1.00 1.42 H new ATOM 0 HD22 ASN A 71 8.864 -1.560 2.454 1.00 1.42 H new ATOM 1132 N GLU A 72 9.184 -5.656 -0.937 1.00 1.15 N ATOM 1133 CA GLU A 72 8.394 -6.888 -1.297 1.00 1.15 C ATOM 1134 C GLU A 72 7.181 -6.888 -0.370 1.00 1.08 C ATOM 1135 O GLU A 72 7.119 -7.629 0.600 1.00 1.59 O ATOM 1136 CB GLU A 72 9.192 -8.207 -1.127 1.00 1.41 C ATOM 1137 CG GLU A 72 8.591 -9.317 -2.028 1.00 2.59 C ATOM 1138 CD GLU A 72 7.189 -9.741 -1.556 1.00 4.04 C ATOM 1139 OE1 GLU A 72 6.257 -9.042 -1.938 1.00 4.98 O ATOM 1140 OE2 GLU A 72 7.127 -10.734 -0.840 1.00 4.98 O ATOM 0 H GLU A 72 8.911 -4.821 -1.454 1.00 1.15 H new ATOM 0 HA GLU A 72 8.124 -6.852 -2.352 1.00 1.15 H new ATOM 0 HB2 GLU A 72 10.238 -8.044 -1.387 1.00 1.41 H new ATOM 0 HB3 GLU A 72 9.169 -8.523 -0.084 1.00 1.41 H new ATOM 0 HG2 GLU A 72 8.536 -8.960 -3.056 1.00 2.59 H new ATOM 0 HG3 GLU A 72 9.252 -10.184 -2.027 1.00 2.59 H new ATOM 1147 N LEU A 73 6.268 -6.000 -0.656 1.00 0.88 N ATOM 1148 CA LEU A 73 5.057 -5.905 0.177 1.00 0.87 C ATOM 1149 C LEU A 73 3.856 -6.540 -0.524 1.00 1.17 C ATOM 1150 O LEU A 73 2.823 -5.917 -0.696 1.00 2.42 O ATOM 1151 CB LEU A 73 4.825 -4.418 0.459 1.00 0.83 C ATOM 1152 CG LEU A 73 6.098 -3.803 1.087 1.00 1.56 C ATOM 1153 CD1 LEU A 73 5.820 -2.377 1.573 1.00 2.26 C ATOM 1154 CD2 LEU A 73 6.570 -4.632 2.287 1.00 2.62 C ATOM 0 H LEU A 73 6.317 -5.340 -1.432 1.00 0.88 H new ATOM 0 HA LEU A 73 5.185 -6.452 1.111 1.00 0.87 H new ATOM 0 HB2 LEU A 73 4.575 -3.897 -0.465 1.00 0.83 H new ATOM 0 HB3 LEU A 73 3.978 -4.293 1.134 1.00 0.83 H new ATOM 0 HG LEU A 73 6.870 -3.795 0.318 1.00 1.56 H new ATOM 0 HD11 LEU A 73 6.726 -1.959 2.012 1.00 2.26 H new ATOM 0 HD12 LEU A 73 5.507 -1.760 0.731 1.00 2.26 H new ATOM 0 HD13 LEU A 73 5.029 -2.396 2.323 1.00 2.26 H new ATOM 0 HD21 LEU A 73 7.466 -4.180 2.712 1.00 2.62 H new ATOM 0 HD22 LEU A 73 5.784 -4.659 3.042 1.00 2.62 H new ATOM 0 HD23 LEU A 73 6.795 -5.648 1.962 1.00 2.62 H new ATOM 1166 N GLN A 74 4.044 -7.783 -0.907 1.00 0.70 N ATOM 1167 CA GLN A 74 2.973 -8.598 -1.585 1.00 0.87 C ATOM 1168 C GLN A 74 1.975 -7.705 -2.330 1.00 0.86 C ATOM 1169 O GLN A 74 0.777 -7.721 -2.080 1.00 1.14 O ATOM 1170 CB GLN A 74 2.227 -9.417 -0.507 1.00 1.09 C ATOM 1171 CG GLN A 74 3.214 -10.253 0.332 1.00 1.61 C ATOM 1172 CD GLN A 74 4.153 -9.318 1.106 1.00 3.11 C ATOM 1173 OE1 GLN A 74 3.718 -8.365 1.714 1.00 4.57 O ATOM 1174 NE2 GLN A 74 5.435 -9.514 1.074 1.00 3.92 N ATOM 0 H GLN A 74 4.922 -8.284 -0.775 1.00 0.70 H new ATOM 0 HA GLN A 74 3.442 -9.256 -2.317 1.00 0.87 H new ATOM 0 HB2 GLN A 74 1.669 -8.745 0.145 1.00 1.09 H new ATOM 0 HB3 GLN A 74 1.500 -10.075 -0.983 1.00 1.09 H new ATOM 0 HG2 GLN A 74 2.667 -10.891 1.026 1.00 1.61 H new ATOM 0 HG3 GLN A 74 3.793 -10.910 -0.317 1.00 1.61 H new ATOM 0 HE21 GLN A 74 5.816 -10.312 0.566 1.00 3.92 H new ATOM 0 HE22 GLN A 74 6.062 -8.870 1.557 1.00 3.92 H new ATOM 1183 N TYR A 75 2.482 -6.973 -3.268 1.00 0.93 N ATOM 1184 CA TYR A 75 1.612 -6.051 -4.043 1.00 0.97 C ATOM 1185 C TYR A 75 1.535 -6.528 -5.489 1.00 1.05 C ATOM 1186 O TYR A 75 2.458 -7.150 -5.997 1.00 1.17 O ATOM 1187 CB TYR A 75 2.213 -4.634 -3.985 1.00 1.16 C ATOM 1188 CG TYR A 75 3.644 -4.686 -4.529 1.00 1.35 C ATOM 1189 CD1 TYR A 75 4.638 -5.316 -3.807 1.00 1.45 C ATOM 1190 CD2 TYR A 75 3.928 -4.252 -5.808 1.00 1.61 C ATOM 1191 CE1 TYR A 75 5.871 -5.543 -4.363 1.00 1.69 C ATOM 1192 CE2 TYR A 75 5.172 -4.475 -6.363 1.00 1.83 C ATOM 1193 CZ TYR A 75 6.147 -5.134 -5.644 1.00 1.84 C ATOM 1194 OH TYR A 75 7.368 -5.444 -6.197 1.00 2.17 O ATOM 0 H TYR A 75 3.466 -6.970 -3.536 1.00 0.93 H new ATOM 0 HA TYR A 75 0.607 -6.036 -3.620 1.00 0.97 H new ATOM 0 HB2 TYR A 75 1.610 -3.943 -4.574 1.00 1.16 H new ATOM 0 HB3 TYR A 75 2.212 -4.264 -2.960 1.00 1.16 H new ATOM 0 HD1 TYR A 75 4.442 -5.633 -2.793 1.00 1.45 H new ATOM 0 HD2 TYR A 75 3.171 -3.734 -6.379 1.00 1.61 H new ATOM 0 HE1 TYR A 75 6.632 -6.048 -3.787 1.00 1.69 H new ATOM 0 HE2 TYR A 75 5.383 -4.132 -7.365 1.00 1.83 H new ATOM 0 HH TYR A 75 7.362 -5.219 -7.151 1.00 2.17 H new ATOM 1204 N GLU A 76 0.431 -6.217 -6.107 1.00 1.11 N ATOM 1205 CA GLU A 76 0.218 -6.605 -7.531 1.00 1.30 C ATOM 1206 C GLU A 76 -0.236 -5.365 -8.305 1.00 1.38 C ATOM 1207 O GLU A 76 -0.596 -4.362 -7.697 1.00 1.56 O ATOM 1208 CB GLU A 76 -0.830 -7.748 -7.629 1.00 1.39 C ATOM 1209 CG GLU A 76 -2.064 -7.508 -6.723 1.00 2.09 C ATOM 1210 CD GLU A 76 -3.228 -6.902 -7.526 1.00 2.97 C ATOM 1211 OE1 GLU A 76 -3.016 -5.841 -8.087 1.00 4.26 O ATOM 1212 OE2 GLU A 76 -4.287 -7.517 -7.511 1.00 3.35 O ATOM 0 H GLU A 76 -0.342 -5.705 -5.683 1.00 1.11 H new ATOM 0 HA GLU A 76 1.146 -6.980 -7.964 1.00 1.30 H new ATOM 0 HB2 GLU A 76 -1.158 -7.847 -8.664 1.00 1.39 H new ATOM 0 HB3 GLU A 76 -0.359 -8.691 -7.352 1.00 1.39 H new ATOM 0 HG2 GLU A 76 -2.379 -8.450 -6.274 1.00 2.09 H new ATOM 0 HG3 GLU A 76 -1.795 -6.840 -5.905 1.00 2.09 H new ATOM 1219 N VAL A 77 -0.181 -5.455 -9.609 1.00 1.41 N ATOM 1220 CA VAL A 77 -0.603 -4.309 -10.465 1.00 1.60 C ATOM 1221 C VAL A 77 -1.797 -4.767 -11.313 1.00 1.81 C ATOM 1222 O VAL A 77 -1.719 -5.802 -11.951 1.00 2.17 O ATOM 1223 CB VAL A 77 0.584 -3.899 -11.365 1.00 1.73 C ATOM 1224 CG1 VAL A 77 0.263 -2.574 -12.070 1.00 2.04 C ATOM 1225 CG2 VAL A 77 1.867 -3.744 -10.519 1.00 2.08 C ATOM 0 H VAL A 77 0.140 -6.278 -10.119 1.00 1.41 H new ATOM 0 HA VAL A 77 -0.896 -3.449 -9.863 1.00 1.60 H new ATOM 0 HB VAL A 77 0.747 -4.676 -12.112 1.00 1.73 H new ATOM 0 HG11 VAL A 77 1.102 -2.287 -12.704 1.00 2.04 H new ATOM 0 HG12 VAL A 77 -0.630 -2.695 -12.683 1.00 2.04 H new ATOM 0 HG13 VAL A 77 0.089 -1.798 -11.325 1.00 2.04 H new ATOM 0 HG21 VAL A 77 2.696 -3.455 -11.165 1.00 2.08 H new ATOM 0 HG22 VAL A 77 1.713 -2.976 -9.761 1.00 2.08 H new ATOM 0 HG23 VAL A 77 2.099 -4.692 -10.033 1.00 2.08 H new