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= 1 K(o=3.8,f=-10!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -134:sc= 2.76 (180deg=1.02) USER MOD Set 2.1: A 45 GLN : amide:sc= -0.72! C(o=0.4!,f=-13!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -169:sc= 1.12 (180deg=1.03) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= 1 (180deg=-0.352) USER MOD Single : A 16 ASN : amide:sc= -0.692 K(o=-0.69,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= 0.533 K(o=0.53,f=-0.044) USER MOD Single : A 24 SER OG : rot 87:sc= 0.677 USER MOD Single : A 27 HIS : no HD1:sc= -2.65 X(o=-2.7,f=-2.5) USER MOD Single : A 31 SER OG : rot 87:sc= 1 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 1.08 (180deg=0.491) USER MOD Single : A 42 SER OG : rot 81:sc= 1.13 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 49 HIS : no HE2:sc= -0.272! C(o=-0.27!,f=-4.4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.149 USER MOD Single : A 51 THR OG1 : rot -140:sc= -1.18 USER MOD Single : A 70 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.37) USER MOD Single : A 71 ASN : amide:sc= -0.532 K(o=-0.53,f=-1.5) USER MOD Single : A 74 GLN : amide:sc= -1.92! X(o=-1.9!,f=-1.5) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -2.093 5.901 -11.289 1.00 2.60 N ATOM 145 CA LYS A 11 -2.329 4.439 -11.572 1.00 2.24 C ATOM 146 C LYS A 11 -2.919 3.743 -10.326 1.00 1.88 C ATOM 147 O LYS A 11 -2.884 4.307 -9.249 1.00 1.92 O ATOM 148 CB LYS A 11 -0.984 3.803 -11.979 1.00 1.97 C ATOM 149 CG LYS A 11 -0.568 4.344 -13.367 1.00 2.56 C ATOM 150 CD LYS A 11 0.924 4.726 -13.388 1.00 3.39 C ATOM 151 CE LYS A 11 1.814 3.473 -13.411 1.00 3.07 C ATOM 152 NZ LYS A 11 3.257 3.856 -13.501 1.00 4.05 N ATOM 0 HA LYS A 11 -3.047 4.321 -12.383 1.00 2.24 H new ATOM 0 HB2 LYS A 11 -0.218 4.037 -11.239 1.00 1.97 H new ATOM 0 HB3 LYS A 11 -1.076 2.717 -12.011 1.00 1.97 H new ATOM 0 HG2 LYS A 11 -0.764 3.589 -14.129 1.00 2.56 H new ATOM 0 HG3 LYS A 11 -1.173 5.215 -13.618 1.00 2.56 H new ATOM 0 HD2 LYS A 11 1.133 5.341 -14.263 1.00 3.39 H new ATOM 0 HD3 LYS A 11 1.161 5.329 -12.511 1.00 3.39 H new ATOM 0 HE2 LYS A 11 1.644 2.883 -12.511 1.00 3.07 H new ATOM 0 HE3 LYS A 11 1.545 2.844 -14.260 1.00 3.07 H new ATOM 0 HZ1 LYS A 11 3.639 3.555 -14.420 1.00 4.05 H new ATOM 0 HZ2 LYS A 11 3.349 4.888 -13.409 1.00 4.05 H new ATOM 0 HZ3 LYS A 11 3.788 3.392 -12.737 1.00 4.05 H new ATOM 166 N VAL A 12 -3.394 2.521 -10.489 1.00 1.67 N ATOM 167 CA VAL A 12 -4.017 1.770 -9.336 1.00 1.39 C ATOM 168 C VAL A 12 -3.244 0.468 -9.043 1.00 1.18 C ATOM 169 O VAL A 12 -2.649 -0.099 -9.940 1.00 1.51 O ATOM 170 CB VAL A 12 -5.464 1.399 -9.719 1.00 1.51 C ATOM 171 CG1 VAL A 12 -6.249 0.991 -8.462 1.00 2.39 C ATOM 172 CG2 VAL A 12 -6.165 2.588 -10.392 1.00 2.35 C ATOM 0 H VAL A 12 -3.377 2.010 -11.372 1.00 1.67 H new ATOM 0 HA VAL A 12 -3.990 2.404 -8.450 1.00 1.39 H new ATOM 0 HB VAL A 12 -5.432 0.564 -10.419 1.00 1.51 H new ATOM 0 HG11 VAL A 12 -7.270 0.730 -8.740 1.00 2.39 H new ATOM 0 HG12 VAL A 12 -5.769 0.131 -7.996 1.00 2.39 H new ATOM 0 HG13 VAL A 12 -6.266 1.823 -7.758 1.00 2.39 H new ATOM 0 HG21 VAL A 12 -7.185 2.308 -10.655 1.00 2.35 H new ATOM 0 HG22 VAL A 12 -6.187 3.434 -9.705 1.00 2.35 H new ATOM 0 HG23 VAL A 12 -5.621 2.868 -11.294 1.00 2.35 H new ATOM 182 N PHE A 13 -3.269 0.016 -7.804 1.00 1.12 N ATOM 183 CA PHE A 13 -2.548 -1.258 -7.448 1.00 1.08 C ATOM 184 C PHE A 13 -3.295 -2.023 -6.345 1.00 0.95 C ATOM 185 O PHE A 13 -4.061 -1.432 -5.595 1.00 1.07 O ATOM 186 CB PHE A 13 -1.142 -0.950 -6.903 1.00 1.38 C ATOM 187 CG PHE A 13 -0.352 -0.077 -7.881 1.00 0.97 C ATOM 188 CD1 PHE A 13 -0.613 1.277 -7.976 1.00 1.37 C ATOM 189 CD2 PHE A 13 0.626 -0.633 -8.686 1.00 1.27 C ATOM 190 CE1 PHE A 13 0.085 2.064 -8.863 1.00 1.59 C ATOM 191 CE2 PHE A 13 1.334 0.159 -9.574 1.00 1.44 C ATOM 192 CZ PHE A 13 1.058 1.510 -9.663 1.00 1.43 C ATOM 0 H PHE A 13 -3.753 0.470 -7.030 1.00 1.12 H new ATOM 0 HA PHE A 13 -2.492 -1.855 -8.358 1.00 1.08 H new ATOM 0 HB2 PHE A 13 -1.224 -0.442 -5.942 1.00 1.38 H new ATOM 0 HB3 PHE A 13 -0.605 -1.882 -6.726 1.00 1.38 H new ATOM 0 HD1 PHE A 13 -1.371 1.721 -7.348 1.00 1.37 H new ATOM 0 HD2 PHE A 13 0.838 -1.690 -8.622 1.00 1.27 H new ATOM 0 HE1 PHE A 13 -0.131 3.120 -8.932 1.00 1.59 H new ATOM 0 HE2 PHE A 13 2.101 -0.278 -10.196 1.00 1.44 H new ATOM 0 HZ PHE A 13 1.605 2.130 -10.359 1.00 1.43 H new ATOM 202 N ARG A 14 -3.023 -3.305 -6.247 1.00 0.94 N ATOM 203 CA ARG A 14 -3.664 -4.130 -5.184 1.00 1.06 C ATOM 204 C ARG A 14 -2.545 -4.743 -4.335 1.00 1.06 C ATOM 205 O ARG A 14 -1.729 -5.496 -4.846 1.00 1.45 O ATOM 206 CB ARG A 14 -4.520 -5.243 -5.814 1.00 1.20 C ATOM 207 CG ARG A 14 -5.124 -6.099 -4.687 1.00 1.81 C ATOM 208 CD ARG A 14 -6.213 -7.023 -5.235 1.00 1.89 C ATOM 209 NE ARG A 14 -7.125 -6.232 -6.121 1.00 2.05 N ATOM 210 CZ ARG A 14 -7.489 -6.722 -7.281 1.00 2.85 C ATOM 211 NH1 ARG A 14 -6.618 -7.360 -8.012 1.00 3.49 N ATOM 212 NH2 ARG A 14 -8.713 -6.557 -7.664 1.00 4.24 N ATOM 0 H ARG A 14 -2.384 -3.811 -6.860 1.00 0.94 H new ATOM 0 HA ARG A 14 -4.318 -3.513 -4.568 1.00 1.06 H new ATOM 0 HB2 ARG A 14 -5.312 -4.810 -6.425 1.00 1.20 H new ATOM 0 HB3 ARG A 14 -3.910 -5.861 -6.473 1.00 1.20 H new ATOM 0 HG2 ARG A 14 -4.341 -6.692 -4.214 1.00 1.81 H new ATOM 0 HG3 ARG A 14 -5.543 -5.452 -3.916 1.00 1.81 H new ATOM 0 HD2 ARG A 14 -5.764 -7.844 -5.794 1.00 1.89 H new ATOM 0 HD3 ARG A 14 -6.777 -7.467 -4.415 1.00 1.89 H new ATOM 0 HE ARG A 14 -7.461 -5.316 -5.823 1.00 2.05 H new ATOM 0 HH11 ARG A 14 -5.660 -7.475 -7.680 1.00 3.49 H new ATOM 0 HH12 ARG A 14 -6.894 -7.744 -8.916 1.00 3.49 H new ATOM 0 HH21 ARG A 14 -9.371 -6.055 -7.068 1.00 4.24 H new ATOM 0 HH22 ARG A 14 -9.021 -6.929 -8.563 1.00 4.24 H new ATOM 226 N VAL A 15 -2.509 -4.409 -3.073 1.00 0.79 N ATOM 227 CA VAL A 15 -1.447 -4.963 -2.189 1.00 0.81 C ATOM 228 C VAL A 15 -2.089 -6.039 -1.320 1.00 0.76 C ATOM 229 O VAL A 15 -3.271 -5.966 -1.037 1.00 0.91 O ATOM 230 CB VAL A 15 -0.890 -3.832 -1.296 1.00 0.91 C ATOM 231 CG1 VAL A 15 0.475 -4.227 -0.716 1.00 1.42 C ATOM 232 CG2 VAL A 15 -0.736 -2.539 -2.118 1.00 1.17 C ATOM 0 H VAL A 15 -3.168 -3.778 -2.618 1.00 0.79 H new ATOM 0 HA VAL A 15 -0.630 -5.384 -2.774 1.00 0.81 H new ATOM 0 HB VAL A 15 -1.591 -3.665 -0.478 1.00 0.91 H new ATOM 0 HG11 VAL A 15 0.852 -3.418 -0.090 1.00 1.42 H new ATOM 0 HG12 VAL A 15 0.368 -5.131 -0.116 1.00 1.42 H new ATOM 0 HG13 VAL A 15 1.176 -4.413 -1.530 1.00 1.42 H new ATOM 0 HG21 VAL A 15 -0.343 -1.747 -1.480 1.00 1.17 H new ATOM 0 HG22 VAL A 15 -0.048 -2.714 -2.946 1.00 1.17 H new ATOM 0 HG23 VAL A 15 -1.708 -2.240 -2.511 1.00 1.17 H new ATOM 242 N ASN A 16 -1.315 -6.992 -0.893 1.00 0.77 N ATOM 243 CA ASN A 16 -1.868 -8.063 -0.034 1.00 0.83 C ATOM 244 C ASN A 16 -1.339 -7.832 1.358 1.00 0.83 C ATOM 245 O ASN A 16 -0.281 -7.259 1.523 1.00 1.42 O ATOM 246 CB ASN A 16 -1.373 -9.431 -0.498 1.00 1.12 C ATOM 247 CG ASN A 16 -1.925 -9.755 -1.874 1.00 1.51 C ATOM 248 OD1 ASN A 16 -2.855 -10.518 -2.022 1.00 2.00 O ATOM 249 ND2 ASN A 16 -1.380 -9.192 -2.907 1.00 2.83 N ATOM 0 H ASN A 16 -0.320 -7.074 -1.104 1.00 0.77 H new ATOM 0 HA ASN A 16 -2.957 -8.043 -0.075 1.00 0.83 H new ATOM 0 HB2 ASN A 16 -0.283 -9.441 -0.525 1.00 1.12 H new ATOM 0 HB3 ASN A 16 -1.681 -10.197 0.214 1.00 1.12 H new ATOM 0 HD21 ASN A 16 -1.734 -9.391 -3.843 1.00 2.83 H new ATOM 0 HD22 ASN A 16 -0.597 -8.550 -2.784 1.00 2.83 H new ATOM 256 N VAL A 17 -2.085 -8.283 2.312 1.00 0.81 N ATOM 257 CA VAL A 17 -1.666 -8.132 3.723 1.00 0.80 C ATOM 258 C VAL A 17 -1.837 -9.481 4.393 1.00 0.93 C ATOM 259 O VAL A 17 -2.885 -10.090 4.244 1.00 0.87 O ATOM 260 CB VAL A 17 -2.571 -7.107 4.417 1.00 0.80 C ATOM 261 CG1 VAL A 17 -2.143 -6.931 5.878 1.00 1.41 C ATOM 262 CG2 VAL A 17 -2.468 -5.760 3.691 1.00 1.36 C ATOM 0 H VAL A 17 -2.978 -8.756 2.175 1.00 0.81 H new ATOM 0 HA VAL A 17 -0.632 -7.793 3.785 1.00 0.80 H new ATOM 0 HB VAL A 17 -3.600 -7.464 4.387 1.00 0.80 H new ATOM 0 HG11 VAL A 17 -2.792 -6.201 6.362 1.00 1.41 H new ATOM 0 HG12 VAL A 17 -2.221 -7.886 6.397 1.00 1.41 H new ATOM 0 HG13 VAL A 17 -1.112 -6.580 5.915 1.00 1.41 H new ATOM 0 HG21 VAL A 17 -3.111 -5.031 4.184 1.00 1.36 H new ATOM 0 HG22 VAL A 17 -1.436 -5.410 3.718 1.00 1.36 H new ATOM 0 HG23 VAL A 17 -2.784 -5.880 2.655 1.00 1.36 H new ATOM 272 N GLU A 18 -0.830 -9.909 5.110 1.00 1.43 N ATOM 273 CA GLU A 18 -0.912 -11.212 5.813 1.00 1.70 C ATOM 274 C GLU A 18 -0.943 -10.996 7.321 1.00 1.74 C ATOM 275 O GLU A 18 -1.592 -11.734 8.038 1.00 1.89 O ATOM 276 CB GLU A 18 0.307 -12.047 5.424 1.00 1.90 C ATOM 277 CG GLU A 18 0.077 -12.649 4.028 1.00 2.12 C ATOM 278 CD GLU A 18 -1.077 -13.663 4.079 1.00 3.15 C ATOM 279 OE1 GLU A 18 -0.813 -14.772 4.515 1.00 3.74 O ATOM 280 OE2 GLU A 18 -2.175 -13.278 3.707 1.00 4.07 O ATOM 0 H GLU A 18 0.048 -9.405 5.236 1.00 1.43 H new ATOM 0 HA GLU A 18 -1.826 -11.732 5.527 1.00 1.70 H new ATOM 0 HB2 GLU A 18 1.203 -11.427 5.423 1.00 1.90 H new ATOM 0 HB3 GLU A 18 0.469 -12.840 6.154 1.00 1.90 H new ATOM 0 HG2 GLU A 18 -0.154 -11.858 3.315 1.00 2.12 H new ATOM 0 HG3 GLU A 18 0.987 -13.137 3.679 1.00 2.12 H new ATOM 287 N ASP A 19 -0.236 -10.008 7.781 1.00 1.68 N ATOM 288 CA ASP A 19 -0.224 -9.743 9.247 1.00 1.83 C ATOM 289 C ASP A 19 -0.053 -8.256 9.478 1.00 1.63 C ATOM 290 O ASP A 19 -0.245 -7.442 8.587 1.00 1.46 O ATOM 291 CB ASP A 19 0.934 -10.493 9.928 1.00 2.09 C ATOM 292 CG ASP A 19 2.278 -9.856 9.541 1.00 2.34 C ATOM 293 OD1 ASP A 19 2.556 -9.836 8.357 1.00 2.60 O ATOM 294 OD2 ASP A 19 2.944 -9.411 10.452 1.00 3.40 O ATOM 0 H ASP A 19 0.330 -9.376 7.215 1.00 1.68 H new ATOM 0 HA ASP A 19 -1.165 -10.090 9.674 1.00 1.83 H new ATOM 0 HB2 ASP A 19 0.808 -10.466 11.010 1.00 2.09 H new ATOM 0 HB3 ASP A 19 0.922 -11.542 9.632 1.00 2.09 H new ATOM 299 N GLU A 20 0.289 -7.942 10.685 1.00 1.81 N ATOM 300 CA GLU A 20 0.515 -6.541 11.053 1.00 1.71 C ATOM 301 C GLU A 20 1.642 -5.957 10.189 1.00 1.49 C ATOM 302 O GLU A 20 1.522 -4.857 9.706 1.00 1.33 O ATOM 303 CB GLU A 20 0.888 -6.512 12.537 1.00 1.90 C ATOM 304 CG GLU A 20 -0.319 -6.924 13.408 1.00 2.06 C ATOM 305 CD GLU A 20 -0.159 -8.365 13.902 1.00 2.45 C ATOM 306 OE1 GLU A 20 -0.243 -9.240 13.053 1.00 3.06 O ATOM 307 OE2 GLU A 20 0.040 -8.507 15.099 1.00 3.54 O ATOM 0 H GLU A 20 0.422 -8.613 11.442 1.00 1.81 H new ATOM 0 HA GLU A 20 -0.377 -5.938 10.884 1.00 1.71 H new ATOM 0 HB2 GLU A 20 1.724 -7.187 12.721 1.00 1.90 H new ATOM 0 HB3 GLU A 20 1.220 -5.512 12.815 1.00 1.90 H new ATOM 0 HG2 GLU A 20 -0.407 -6.249 14.260 1.00 2.06 H new ATOM 0 HG3 GLU A 20 -1.239 -6.831 12.831 1.00 2.06 H new ATOM 314 N ASN A 21 2.723 -6.685 10.042 1.00 1.62 N ATOM 315 CA ASN A 21 3.882 -6.191 9.213 1.00 1.47 C ATOM 316 C ASN A 21 3.390 -5.460 7.954 1.00 1.23 C ATOM 317 O ASN A 21 3.596 -4.270 7.802 1.00 1.22 O ATOM 318 CB ASN A 21 4.762 -7.378 8.792 1.00 1.57 C ATOM 319 CG ASN A 21 5.965 -6.846 8.008 1.00 1.72 C ATOM 320 OD1 ASN A 21 6.998 -6.531 8.573 1.00 2.30 O ATOM 321 ND2 ASN A 21 5.856 -6.679 6.725 1.00 2.04 N ATOM 0 H ASN A 21 2.858 -7.605 10.460 1.00 1.62 H new ATOM 0 HA ASN A 21 4.458 -5.493 9.820 1.00 1.47 H new ATOM 0 HB2 ASN A 21 5.098 -7.929 9.670 1.00 1.57 H new ATOM 0 HB3 ASN A 21 4.189 -8.074 8.179 1.00 1.57 H new ATOM 0 HD21 ASN A 21 6.633 -6.286 6.194 1.00 2.04 H new ATOM 0 HD22 ASN A 21 4.993 -6.941 6.248 1.00 2.04 H new ATOM 328 N ASP A 22 2.770 -6.206 7.084 1.00 1.09 N ATOM 329 CA ASP A 22 2.223 -5.625 5.822 1.00 0.93 C ATOM 330 C ASP A 22 1.468 -4.327 6.098 1.00 0.85 C ATOM 331 O ASP A 22 1.625 -3.346 5.391 1.00 0.93 O ATOM 332 CB ASP A 22 1.303 -6.688 5.237 1.00 1.03 C ATOM 333 CG ASP A 22 2.170 -7.717 4.540 1.00 2.03 C ATOM 334 OD1 ASP A 22 2.708 -8.521 5.272 1.00 3.60 O ATOM 335 OD2 ASP A 22 2.257 -7.639 3.331 1.00 2.39 O ATOM 0 H ASP A 22 2.616 -7.208 7.194 1.00 1.09 H new ATOM 0 HA ASP A 22 3.020 -5.367 5.124 1.00 0.93 H new ATOM 0 HB2 ASP A 22 0.712 -7.156 6.024 1.00 1.03 H new ATOM 0 HB3 ASP A 22 0.601 -6.241 4.534 1.00 1.03 H new ATOM 340 N ILE A 23 0.655 -4.354 7.124 1.00 0.88 N ATOM 341 CA ILE A 23 -0.121 -3.123 7.484 1.00 0.91 C ATOM 342 C ILE A 23 0.838 -2.015 7.933 1.00 1.02 C ATOM 343 O ILE A 23 0.683 -0.859 7.584 1.00 1.16 O ATOM 344 CB ILE A 23 -1.092 -3.457 8.631 1.00 1.05 C ATOM 345 CG1 ILE A 23 -2.112 -4.490 8.130 1.00 1.09 C ATOM 346 CG2 ILE A 23 -1.809 -2.178 9.090 1.00 1.18 C ATOM 347 CD1 ILE A 23 -3.085 -4.885 9.247 1.00 1.42 C ATOM 0 H ILE A 23 0.494 -5.164 7.723 1.00 0.88 H new ATOM 0 HA ILE A 23 -0.680 -2.779 6.614 1.00 0.91 H new ATOM 0 HB ILE A 23 -0.544 -3.870 9.478 1.00 1.05 H new ATOM 0 HG12 ILE A 23 -2.667 -4.079 7.287 1.00 1.09 H new ATOM 0 HG13 ILE A 23 -1.590 -5.375 7.767 1.00 1.09 H new ATOM 0 HG21 ILE A 23 -2.496 -2.417 9.902 1.00 1.18 H new ATOM 0 HG22 ILE A 23 -1.073 -1.454 9.439 1.00 1.18 H new ATOM 0 HG23 ILE A 23 -2.368 -1.755 8.255 1.00 1.18 H new ATOM 0 HD11 ILE A 23 -3.797 -5.617 8.867 1.00 1.42 H new ATOM 0 HD12 ILE A 23 -2.528 -5.318 10.078 1.00 1.42 H new ATOM 0 HD13 ILE A 23 -3.622 -4.001 9.591 1.00 1.42 H new ATOM 359 N SER A 24 1.807 -2.407 8.703 1.00 1.03 N ATOM 360 CA SER A 24 2.806 -1.435 9.223 1.00 1.15 C ATOM 361 C SER A 24 3.550 -0.844 8.031 1.00 1.06 C ATOM 362 O SER A 24 3.453 0.340 7.799 1.00 1.35 O ATOM 363 CB SER A 24 3.767 -2.187 10.160 1.00 1.27 C ATOM 364 OG SER A 24 2.907 -2.946 11.015 1.00 1.54 O ATOM 0 H SER A 24 1.953 -3.372 9.000 1.00 1.03 H new ATOM 0 HA SER A 24 2.334 -0.627 9.782 1.00 1.15 H new ATOM 0 HB2 SER A 24 4.443 -2.834 9.601 1.00 1.27 H new ATOM 0 HB3 SER A 24 4.387 -1.496 10.731 1.00 1.27 H new ATOM 0 HG SER A 24 2.695 -3.803 10.589 1.00 1.54 H new ATOM 370 N GLU A 25 4.245 -1.673 7.289 1.00 0.81 N ATOM 371 CA GLU A 25 4.968 -1.161 6.089 1.00 0.79 C ATOM 372 C GLU A 25 4.007 -0.276 5.297 1.00 0.79 C ATOM 373 O GLU A 25 4.401 0.762 4.785 1.00 0.93 O ATOM 374 CB GLU A 25 5.437 -2.357 5.242 1.00 0.82 C ATOM 375 CG GLU A 25 6.925 -2.637 5.515 1.00 1.19 C ATOM 376 CD GLU A 25 7.378 -3.787 4.626 1.00 1.99 C ATOM 377 OE1 GLU A 25 7.226 -4.910 5.080 1.00 2.74 O ATOM 378 OE2 GLU A 25 7.814 -3.474 3.527 1.00 3.09 O ATOM 0 H GLU A 25 4.341 -2.674 7.463 1.00 0.81 H new ATOM 0 HA GLU A 25 5.842 -0.576 6.375 1.00 0.79 H new ATOM 0 HB2 GLU A 25 4.842 -3.239 5.480 1.00 0.82 H new ATOM 0 HB3 GLU A 25 5.285 -2.146 4.183 1.00 0.82 H new ATOM 0 HG2 GLU A 25 7.520 -1.746 5.313 1.00 1.19 H new ATOM 0 HG3 GLU A 25 7.075 -2.889 6.565 1.00 1.19 H new ATOM 385 N LEU A 26 2.774 -0.717 5.172 1.00 0.85 N ATOM 386 CA LEU A 26 1.794 0.135 4.440 1.00 0.93 C ATOM 387 C LEU A 26 1.749 1.498 5.139 1.00 0.87 C ATOM 388 O LEU A 26 1.846 2.519 4.499 1.00 0.90 O ATOM 389 CB LEU A 26 0.401 -0.518 4.483 1.00 1.23 C ATOM 390 CG LEU A 26 -0.415 -0.139 3.234 1.00 0.95 C ATOM 391 CD1 LEU A 26 -1.798 -0.796 3.323 1.00 2.81 C ATOM 392 CD2 LEU A 26 -0.589 1.384 3.134 1.00 2.39 C ATOM 0 H LEU A 26 2.417 -1.601 5.534 1.00 0.85 H new ATOM 0 HA LEU A 26 2.090 0.249 3.397 1.00 0.93 H new ATOM 0 HB2 LEU A 26 0.503 -1.602 4.542 1.00 1.23 H new ATOM 0 HB3 LEU A 26 -0.129 -0.199 5.381 1.00 1.23 H new ATOM 0 HG LEU A 26 0.118 -0.487 2.349 1.00 0.95 H new ATOM 0 HD11 LEU A 26 -2.383 -0.533 2.442 1.00 2.81 H new ATOM 0 HD12 LEU A 26 -1.684 -1.879 3.373 1.00 2.81 H new ATOM 0 HD13 LEU A 26 -2.311 -0.444 4.218 1.00 2.81 H new ATOM 0 HD21 LEU A 26 -1.169 1.626 2.243 1.00 2.39 H new ATOM 0 HD22 LEU A 26 -1.112 1.749 4.018 1.00 2.39 H new ATOM 0 HD23 LEU A 26 0.390 1.859 3.070 1.00 2.39 H new ATOM 404 N HIS A 27 1.603 1.471 6.445 1.00 0.96 N ATOM 405 CA HIS A 27 1.552 2.750 7.227 1.00 1.15 C ATOM 406 C HIS A 27 2.767 3.634 6.916 1.00 1.08 C ATOM 407 O HIS A 27 2.609 4.743 6.435 1.00 1.33 O ATOM 408 CB HIS A 27 1.519 2.436 8.735 1.00 1.34 C ATOM 409 CG HIS A 27 0.159 1.960 9.250 1.00 1.02 C ATOM 410 ND1 HIS A 27 -0.207 2.201 10.474 1.00 1.43 N ATOM 411 CD2 HIS A 27 -0.855 1.239 8.677 1.00 1.41 C ATOM 412 CE1 HIS A 27 -1.387 1.668 10.685 1.00 1.38 C ATOM 413 NE2 HIS A 27 -1.779 1.082 9.582 1.00 1.17 N ATOM 0 H HIS A 27 1.517 0.621 7.002 1.00 0.96 H new ATOM 0 HA HIS A 27 0.649 3.289 6.941 1.00 1.15 H new ATOM 0 HB2 HIS A 27 2.264 1.671 8.951 1.00 1.34 H new ATOM 0 HB3 HIS A 27 1.811 3.330 9.287 1.00 1.34 H new ATOM 0 HD2 HIS A 27 -0.883 0.869 7.663 1.00 1.41 H new ATOM 0 HE1 HIS A 27 -1.941 1.706 11.611 1.00 1.38 H new ATOM 0 HE2 HIS A 27 -2.661 0.585 9.453 1.00 1.17 H new ATOM 421 N GLU A 28 3.941 3.129 7.206 1.00 0.93 N ATOM 422 CA GLU A 28 5.184 3.829 6.976 1.00 0.92 C ATOM 423 C GLU A 28 5.158 4.688 5.705 1.00 1.07 C ATOM 424 O GLU A 28 5.432 5.876 5.747 1.00 1.31 O ATOM 425 CB GLU A 28 6.190 2.688 6.895 1.00 0.76 C ATOM 426 CG GLU A 28 6.169 1.801 8.161 1.00 2.48 C ATOM 427 CD GLU A 28 5.920 2.641 9.418 1.00 3.19 C ATOM 428 OE1 GLU A 28 6.816 3.392 9.743 1.00 3.50 O ATOM 429 OE2 GLU A 28 4.836 2.493 9.961 1.00 4.34 O ATOM 0 H GLU A 28 4.063 2.203 7.616 1.00 0.93 H new ATOM 0 HA GLU A 28 5.418 4.555 7.755 1.00 0.92 H new ATOM 0 HB2 GLU A 28 5.972 2.075 6.020 1.00 0.76 H new ATOM 0 HB3 GLU A 28 7.191 3.097 6.756 1.00 0.76 H new ATOM 0 HG2 GLU A 28 5.391 1.044 8.066 1.00 2.48 H new ATOM 0 HG3 GLU A 28 7.118 1.273 8.255 1.00 2.48 H new ATOM 436 N LEU A 29 4.827 4.068 4.604 1.00 1.03 N ATOM 437 CA LEU A 29 4.782 4.803 3.305 1.00 1.25 C ATOM 438 C LEU A 29 4.153 6.205 3.430 1.00 1.78 C ATOM 439 O LEU A 29 4.755 7.186 3.023 1.00 2.42 O ATOM 440 CB LEU A 29 3.991 3.957 2.293 1.00 1.01 C ATOM 441 CG LEU A 29 3.925 4.663 0.922 1.00 1.25 C ATOM 442 CD1 LEU A 29 5.328 5.081 0.455 1.00 1.81 C ATOM 443 CD2 LEU A 29 3.336 3.688 -0.104 1.00 1.75 C ATOM 0 H LEU A 29 4.584 3.079 4.548 1.00 1.03 H new ATOM 0 HA LEU A 29 5.807 4.956 2.968 1.00 1.25 H new ATOM 0 HB2 LEU A 29 4.462 2.980 2.182 1.00 1.01 H new ATOM 0 HB3 LEU A 29 2.982 3.784 2.667 1.00 1.01 H new ATOM 0 HG LEU A 29 3.305 5.554 1.014 1.00 1.25 H new ATOM 0 HD11 LEU A 29 5.257 5.576 -0.513 1.00 1.81 H new ATOM 0 HD12 LEU A 29 5.764 5.766 1.182 1.00 1.81 H new ATOM 0 HD13 LEU A 29 5.960 4.197 0.365 1.00 1.81 H new ATOM 0 HD21 LEU A 29 3.283 4.173 -1.079 1.00 1.75 H new ATOM 0 HD22 LEU A 29 3.971 2.805 -0.173 1.00 1.75 H new ATOM 0 HD23 LEU A 29 2.335 3.392 0.209 1.00 1.75 H new ATOM 455 N ALA A 30 3.012 6.288 4.078 1.00 1.77 N ATOM 456 CA ALA A 30 2.322 7.614 4.195 1.00 2.44 C ATOM 457 C ALA A 30 3.085 8.612 5.090 1.00 2.58 C ATOM 458 O ALA A 30 2.525 9.598 5.539 1.00 2.65 O ATOM 459 CB ALA A 30 0.915 7.382 4.754 1.00 2.66 C ATOM 0 H ALA A 30 2.535 5.505 4.525 1.00 1.77 H new ATOM 0 HA ALA A 30 2.280 8.060 3.201 1.00 2.44 H new ATOM 0 HB1 ALA A 30 0.398 8.337 4.846 1.00 2.66 H new ATOM 0 HB2 ALA A 30 0.358 6.731 4.080 1.00 2.66 H new ATOM 0 HB3 ALA A 30 0.986 6.912 5.735 1.00 2.66 H new ATOM 465 N SER A 31 4.340 8.342 5.327 1.00 2.93 N ATOM 466 CA SER A 31 5.168 9.270 6.155 1.00 3.25 C ATOM 467 C SER A 31 5.994 10.156 5.223 1.00 3.38 C ATOM 468 O SER A 31 6.379 11.246 5.585 1.00 3.89 O ATOM 469 CB SER A 31 6.119 8.465 7.041 1.00 3.56 C ATOM 470 OG SER A 31 5.261 7.631 7.799 1.00 3.31 O ATOM 0 H SER A 31 4.830 7.517 4.983 1.00 2.93 H new ATOM 0 HA SER A 31 4.516 9.879 6.781 1.00 3.25 H new ATOM 0 HB2 SER A 31 6.820 7.880 6.445 1.00 3.56 H new ATOM 0 HB3 SER A 31 6.712 9.116 7.683 1.00 3.56 H new ATOM 0 HG SER A 31 5.085 6.805 7.302 1.00 3.31 H new ATOM 476 N THR A 32 6.258 9.651 4.046 1.00 3.10 N ATOM 477 CA THR A 32 7.060 10.427 3.050 1.00 3.36 C ATOM 478 C THR A 32 6.212 10.718 1.815 1.00 3.23 C ATOM 479 O THR A 32 6.056 11.856 1.410 1.00 3.24 O ATOM 480 CB THR A 32 8.274 9.590 2.641 1.00 3.47 C ATOM 481 OG1 THR A 32 7.737 8.289 2.403 1.00 3.54 O ATOM 482 CG2 THR A 32 9.285 9.438 3.785 1.00 3.60 C ATOM 0 H THR A 32 5.952 8.731 3.729 1.00 3.10 H new ATOM 0 HA THR A 32 7.382 11.370 3.492 1.00 3.36 H new ATOM 0 HB THR A 32 8.784 10.053 1.796 1.00 3.47 H new ATOM 0 HG1 THR A 32 8.457 7.683 2.131 1.00 3.54 H new ATOM 0 HG21 THR A 32 10.129 8.836 3.447 1.00 3.60 H new ATOM 0 HG22 THR A 32 9.640 10.422 4.090 1.00 3.60 H new ATOM 0 HG23 THR A 32 8.805 8.947 4.632 1.00 3.60 H new ATOM 490 N ARG A 33 5.685 9.667 1.246 1.00 3.51 N ATOM 491 CA ARG A 33 4.840 9.812 0.029 1.00 3.60 C ATOM 492 C ARG A 33 3.416 9.390 0.373 1.00 2.37 C ATOM 493 O ARG A 33 3.184 8.270 0.787 1.00 3.37 O ATOM 494 CB ARG A 33 5.425 8.917 -1.065 1.00 5.27 C ATOM 495 CG ARG A 33 6.959 9.051 -1.030 1.00 6.84 C ATOM 496 CD ARG A 33 7.544 8.663 -2.379 1.00 8.57 C ATOM 497 NE ARG A 33 7.131 9.705 -3.362 1.00 9.06 N ATOM 498 CZ ARG A 33 8.003 10.390 -4.041 1.00 10.27 C ATOM 499 NH1 ARG A 33 9.157 9.864 -4.341 1.00 11.39 N ATOM 500 NH2 ARG A 33 7.654 11.578 -4.418 1.00 10.70 N ATOM 0 H ARG A 33 5.805 8.709 1.575 1.00 3.51 H new ATOM 0 HA ARG A 33 4.823 10.843 -0.324 1.00 3.60 H new ATOM 0 HB2 ARG A 33 5.131 7.880 -0.905 1.00 5.27 H new ATOM 0 HB3 ARG A 33 5.040 9.210 -2.042 1.00 5.27 H new ATOM 0 HG2 ARG A 33 7.238 10.076 -0.784 1.00 6.84 H new ATOM 0 HG3 ARG A 33 7.371 8.413 -0.248 1.00 6.84 H new ATOM 0 HD2 ARG A 33 8.631 8.599 -2.322 1.00 8.57 H new ATOM 0 HD3 ARG A 33 7.183 7.682 -2.686 1.00 8.57 H new ATOM 0 HE ARG A 33 6.137 9.885 -3.506 1.00 9.06 H new ATOM 0 HH11 ARG A 33 9.377 8.914 -4.043 1.00 11.39 H new ATOM 0 HH12 ARG A 33 9.840 10.403 -4.874 1.00 11.39 H new ATOM 0 HH21 ARG A 33 6.730 11.938 -4.180 1.00 10.70 H new ATOM 0 HH22 ARG A 33 8.303 12.155 -4.953 1.00 10.70 H new ATOM 514 N GLN A 34 2.488 10.278 0.138 1.00 1.66 N ATOM 515 CA GLN A 34 1.057 9.991 0.474 1.00 2.12 C ATOM 516 C GLN A 34 0.232 9.566 -0.752 1.00 1.76 C ATOM 517 O GLN A 34 0.257 10.209 -1.789 1.00 1.84 O ATOM 518 CB GLN A 34 0.443 11.263 1.087 1.00 3.52 C ATOM 519 CG GLN A 34 0.908 12.512 0.303 1.00 3.60 C ATOM 520 CD GLN A 34 -0.261 13.479 0.092 1.00 5.01 C ATOM 521 OE1 GLN A 34 -0.678 13.729 -1.021 1.00 5.78 O ATOM 522 NE2 GLN A 34 -0.819 14.045 1.115 1.00 6.16 N ATOM 0 H GLN A 34 2.657 11.195 -0.274 1.00 1.66 H new ATOM 0 HA GLN A 34 1.034 9.157 1.175 1.00 2.12 H new ATOM 0 HB2 GLN A 34 -0.645 11.196 1.067 1.00 3.52 H new ATOM 0 HB3 GLN A 34 0.738 11.350 2.133 1.00 3.52 H new ATOM 0 HG2 GLN A 34 1.708 13.013 0.847 1.00 3.60 H new ATOM 0 HG3 GLN A 34 1.318 12.212 -0.661 1.00 3.60 H new ATOM 0 HE21 GLN A 34 -0.480 13.845 2.056 1.00 6.16 H new ATOM 0 HE22 GLN A 34 -1.597 14.690 0.979 1.00 6.16 H new ATOM 531 N ILE A 35 -0.524 8.515 -0.575 1.00 1.57 N ATOM 532 CA ILE A 35 -1.370 8.001 -1.692 1.00 1.28 C ATOM 533 C ILE A 35 -2.842 7.940 -1.264 1.00 1.17 C ATOM 534 O ILE A 35 -3.154 8.137 -0.104 1.00 1.41 O ATOM 535 CB ILE A 35 -0.879 6.597 -2.099 1.00 1.28 C ATOM 536 CG1 ILE A 35 -0.623 5.721 -0.839 1.00 1.47 C ATOM 537 CG2 ILE A 35 0.393 6.748 -2.955 1.00 1.54 C ATOM 538 CD1 ILE A 35 0.850 5.746 -0.394 1.00 1.96 C ATOM 0 H ILE A 35 -0.592 7.989 0.296 1.00 1.57 H new ATOM 0 HA ILE A 35 -1.287 8.677 -2.543 1.00 1.28 H new ATOM 0 HB ILE A 35 -1.643 6.090 -2.688 1.00 1.28 H new ATOM 0 HG12 ILE A 35 -1.252 6.073 -0.022 1.00 1.47 H new ATOM 0 HG13 ILE A 35 -0.919 4.693 -1.049 1.00 1.47 H new ATOM 0 HG21 ILE A 35 0.752 5.762 -3.250 1.00 1.54 H new ATOM 0 HG22 ILE A 35 0.165 7.333 -3.846 1.00 1.54 H new ATOM 0 HG23 ILE A 35 1.164 7.256 -2.375 1.00 1.54 H new ATOM 0 HD11 ILE A 35 0.974 5.119 0.489 1.00 1.96 H new ATOM 0 HD12 ILE A 35 1.480 5.368 -1.199 1.00 1.96 H new ATOM 0 HD13 ILE A 35 1.141 6.769 -0.156 1.00 1.96 H new ATOM 550 N ASP A 36 -3.688 7.633 -2.217 1.00 1.06 N ATOM 551 CA ASP A 36 -5.156 7.539 -1.952 1.00 1.10 C ATOM 552 C ASP A 36 -5.539 6.045 -1.918 1.00 0.97 C ATOM 553 O ASP A 36 -4.877 5.232 -2.548 1.00 1.00 O ATOM 554 CB ASP A 36 -5.910 8.234 -3.104 1.00 1.34 C ATOM 555 CG ASP A 36 -5.041 9.323 -3.760 1.00 2.21 C ATOM 556 OD1 ASP A 36 -5.056 10.429 -3.256 1.00 3.14 O ATOM 557 OD2 ASP A 36 -4.393 8.971 -4.735 1.00 3.37 O ATOM 0 H ASP A 36 -3.418 7.441 -3.182 1.00 1.06 H new ATOM 0 HA ASP A 36 -5.413 8.016 -1.006 1.00 1.10 H new ATOM 0 HB2 ASP A 36 -6.198 7.495 -3.852 1.00 1.34 H new ATOM 0 HB3 ASP A 36 -6.830 8.679 -2.724 1.00 1.34 H new ATOM 562 N PHE A 37 -6.613 5.698 -1.233 1.00 1.02 N ATOM 563 CA PHE A 37 -7.008 4.240 -1.159 1.00 0.96 C ATOM 564 C PHE A 37 -8.473 4.006 -1.544 1.00 1.07 C ATOM 565 O PHE A 37 -9.302 4.877 -1.380 1.00 1.43 O ATOM 566 CB PHE A 37 -6.812 3.719 0.274 1.00 1.04 C ATOM 567 CG PHE A 37 -5.320 3.671 0.624 1.00 0.92 C ATOM 568 CD1 PHE A 37 -4.628 4.830 0.908 1.00 1.36 C ATOM 569 CD2 PHE A 37 -4.643 2.469 0.618 1.00 1.19 C ATOM 570 CE1 PHE A 37 -3.279 4.788 1.179 1.00 1.58 C ATOM 571 CE2 PHE A 37 -3.291 2.423 0.881 1.00 1.34 C ATOM 572 CZ PHE A 37 -2.606 3.585 1.162 1.00 1.38 C ATOM 0 H PHE A 37 -7.223 6.344 -0.731 1.00 1.02 H new ATOM 0 HA PHE A 37 -6.372 3.710 -1.868 1.00 0.96 H new ATOM 0 HB2 PHE A 37 -7.337 4.365 0.978 1.00 1.04 H new ATOM 0 HB3 PHE A 37 -7.247 2.724 0.369 1.00 1.04 H new ATOM 0 HD1 PHE A 37 -5.148 5.777 0.918 1.00 1.36 H new ATOM 0 HD2 PHE A 37 -5.178 1.555 0.405 1.00 1.19 H new ATOM 0 HE1 PHE A 37 -2.747 5.700 1.406 1.00 1.58 H new ATOM 0 HE2 PHE A 37 -2.769 1.478 0.867 1.00 1.34 H new ATOM 0 HZ PHE A 37 -1.546 3.553 1.368 1.00 1.38 H new ATOM 582 N TRP A 38 -8.765 2.802 -1.985 1.00 1.07 N ATOM 583 CA TRP A 38 -10.166 2.464 -2.381 1.00 1.29 C ATOM 584 C TRP A 38 -10.708 1.242 -1.631 1.00 1.35 C ATOM 585 O TRP A 38 -11.767 1.324 -1.047 1.00 1.57 O ATOM 586 CB TRP A 38 -10.212 2.226 -3.894 1.00 1.32 C ATOM 587 CG TRP A 38 -10.077 3.503 -4.727 1.00 1.43 C ATOM 588 CD1 TRP A 38 -10.466 4.745 -4.319 1.00 2.32 C ATOM 589 CD2 TRP A 38 -9.650 3.688 -6.025 1.00 1.92 C ATOM 590 NE1 TRP A 38 -10.301 5.602 -5.270 1.00 3.27 N ATOM 591 CE2 TRP A 38 -9.812 5.027 -6.346 1.00 3.09 C ATOM 592 CE3 TRP A 38 -9.152 2.795 -6.955 1.00 1.82 C ATOM 593 CZ2 TRP A 38 -9.493 5.500 -7.594 1.00 3.96 C ATOM 594 CZ3 TRP A 38 -8.832 3.285 -8.217 1.00 2.67 C ATOM 595 CH2 TRP A 38 -9.001 4.624 -8.536 1.00 3.68 C ATOM 0 H TRP A 38 -8.092 2.042 -2.086 1.00 1.07 H new ATOM 0 HA TRP A 38 -10.806 3.304 -2.111 1.00 1.29 H new ATOM 0 HB2 TRP A 38 -9.412 1.539 -4.168 1.00 1.32 H new ATOM 0 HB3 TRP A 38 -11.153 1.737 -4.147 1.00 1.32 H new ATOM 0 HD1 TRP A 38 -10.857 4.978 -3.339 1.00 2.32 H new ATOM 0 HE1 TRP A 38 -10.521 6.595 -5.196 1.00 3.27 H new ATOM 0 HE3 TRP A 38 -9.016 1.752 -6.710 1.00 1.82 H new ATOM 0 HZ2 TRP A 38 -9.626 6.545 -7.834 1.00 3.96 H new ATOM 0 HZ3 TRP A 38 -8.444 2.608 -8.964 1.00 2.67 H new ATOM 0 HH2 TRP A 38 -8.747 4.980 -9.523 1.00 3.68 H new ATOM 606 N LYS A 39 -10.018 0.134 -1.683 1.00 1.27 N ATOM 607 CA LYS A 39 -10.540 -1.073 -0.949 1.00 1.43 C ATOM 608 C LYS A 39 -9.536 -1.527 0.103 1.00 1.23 C ATOM 609 O LYS A 39 -8.392 -1.146 0.040 1.00 1.09 O ATOM 610 CB LYS A 39 -10.760 -2.228 -1.927 1.00 1.73 C ATOM 611 CG LYS A 39 -11.622 -1.742 -3.086 1.00 2.03 C ATOM 612 CD LYS A 39 -12.002 -2.929 -3.979 1.00 2.71 C ATOM 613 CE LYS A 39 -12.383 -2.383 -5.350 1.00 3.33 C ATOM 614 NZ LYS A 39 -11.157 -1.895 -6.045 1.00 3.84 N ATOM 0 H LYS A 39 -9.139 0.005 -2.185 1.00 1.27 H new ATOM 0 HA LYS A 39 -11.481 -0.798 -0.473 1.00 1.43 H new ATOM 0 HB2 LYS A 39 -9.803 -2.594 -2.298 1.00 1.73 H new ATOM 0 HB3 LYS A 39 -11.246 -3.062 -1.421 1.00 1.73 H new ATOM 0 HG2 LYS A 39 -12.521 -1.258 -2.705 1.00 2.03 H new ATOM 0 HG3 LYS A 39 -11.080 -0.996 -3.667 1.00 2.03 H new ATOM 0 HD2 LYS A 39 -11.167 -3.625 -4.064 1.00 2.71 H new ATOM 0 HD3 LYS A 39 -12.835 -3.482 -3.544 1.00 2.71 H new ATOM 0 HE2 LYS A 39 -12.866 -3.160 -5.942 1.00 3.33 H new ATOM 0 HE3 LYS A 39 -13.102 -1.571 -5.244 1.00 3.33 H new ATOM 0 HZ1 LYS A 39 -11.325 -1.874 -7.071 1.00 3.84 H new ATOM 0 HZ2 LYS A 39 -10.927 -0.937 -5.712 1.00 3.84 H new ATOM 0 HZ3 LYS A 39 -10.363 -2.534 -5.837 1.00 3.84 H new ATOM 628 N PRO A 40 -9.976 -2.375 1.014 1.00 1.74 N ATOM 629 CA PRO A 40 -11.410 -2.549 1.374 1.00 2.58 C ATOM 630 C PRO A 40 -12.010 -1.282 1.991 1.00 2.90 C ATOM 631 O PRO A 40 -12.947 -0.726 1.452 1.00 3.79 O ATOM 632 CB PRO A 40 -11.401 -3.709 2.384 1.00 3.18 C ATOM 633 CG PRO A 40 -9.946 -3.814 2.893 1.00 2.41 C ATOM 634 CD PRO A 40 -9.075 -3.299 1.740 1.00 1.92 C ATOM 0 HA PRO A 40 -12.028 -2.752 0.499 1.00 2.58 H new ATOM 0 HB2 PRO A 40 -12.090 -3.516 3.206 1.00 3.18 H new ATOM 0 HB3 PRO A 40 -11.719 -4.639 1.913 1.00 3.18 H new ATOM 0 HG2 PRO A 40 -9.800 -3.217 3.793 1.00 2.41 H new ATOM 0 HG3 PRO A 40 -9.692 -4.843 3.149 1.00 2.41 H new ATOM 0 HD2 PRO A 40 -8.185 -2.787 2.106 1.00 1.92 H new ATOM 0 HD3 PRO A 40 -8.734 -4.113 1.100 1.00 1.92 H new ATOM 642 N ASP A 41 -11.451 -0.874 3.100 1.00 2.90 N ATOM 643 CA ASP A 41 -11.949 0.346 3.810 1.00 3.44 C ATOM 644 C ASP A 41 -10.799 1.359 3.936 1.00 2.80 C ATOM 645 O ASP A 41 -10.367 1.918 2.947 1.00 3.18 O ATOM 646 CB ASP A 41 -12.470 -0.113 5.192 1.00 4.64 C ATOM 647 CG ASP A 41 -13.134 1.049 5.956 1.00 4.29 C ATOM 648 OD1 ASP A 41 -12.402 1.760 6.622 1.00 4.17 O ATOM 649 OD2 ASP A 41 -14.339 1.147 5.851 1.00 5.04 O ATOM 0 H ASP A 41 -10.662 -1.338 3.550 1.00 2.90 H new ATOM 0 HA ASP A 41 -12.756 0.837 3.266 1.00 3.44 H new ATOM 0 HB2 ASP A 41 -13.188 -0.922 5.061 1.00 4.64 H new ATOM 0 HB3 ASP A 41 -11.644 -0.512 5.780 1.00 4.64 H new ATOM 654 N SER A 42 -10.311 1.529 5.131 1.00 2.30 N ATOM 655 CA SER A 42 -9.191 2.481 5.374 1.00 1.94 C ATOM 656 C SER A 42 -8.001 1.711 5.932 1.00 1.65 C ATOM 657 O SER A 42 -8.174 0.689 6.565 1.00 2.29 O ATOM 658 CB SER A 42 -9.624 3.519 6.415 1.00 1.89 C ATOM 659 OG SER A 42 -10.893 3.962 5.969 1.00 3.15 O ATOM 0 H SER A 42 -10.645 1.042 5.963 1.00 2.30 H new ATOM 0 HA SER A 42 -8.923 2.975 4.440 1.00 1.94 H new ATOM 0 HB2 SER A 42 -9.684 3.081 7.411 1.00 1.89 H new ATOM 0 HB3 SER A 42 -8.914 4.344 6.472 1.00 1.89 H new ATOM 0 HG SER A 42 -11.578 3.314 6.236 1.00 3.15 H new ATOM 665 N VAL A 43 -6.826 2.226 5.712 1.00 1.29 N ATOM 666 CA VAL A 43 -5.591 1.559 6.226 1.00 1.04 C ATOM 667 C VAL A 43 -5.798 0.963 7.641 1.00 1.24 C ATOM 668 O VAL A 43 -5.398 -0.150 7.910 1.00 1.83 O ATOM 669 CB VAL A 43 -4.465 2.614 6.205 1.00 1.21 C ATOM 670 CG1 VAL A 43 -4.838 3.818 7.085 1.00 1.95 C ATOM 671 CG2 VAL A 43 -3.160 2.001 6.715 1.00 1.56 C ATOM 0 H VAL A 43 -6.663 3.089 5.193 1.00 1.29 H new ATOM 0 HA VAL A 43 -5.329 0.711 5.593 1.00 1.04 H new ATOM 0 HB VAL A 43 -4.332 2.951 5.177 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -4.032 4.552 7.058 1.00 1.95 H new ATOM 0 HG12 VAL A 43 -5.755 4.272 6.710 1.00 1.95 H new ATOM 0 HG13 VAL A 43 -4.991 3.485 8.111 1.00 1.95 H new ATOM 0 HG21 VAL A 43 -2.372 2.754 6.696 1.00 1.56 H new ATOM 0 HG22 VAL A 43 -3.299 1.647 7.737 1.00 1.56 H new ATOM 0 HG23 VAL A 43 -2.877 1.164 6.077 1.00 1.56 H new ATOM 681 N THR A 44 -6.437 1.717 8.493 1.00 1.20 N ATOM 682 CA THR A 44 -6.696 1.273 9.900 1.00 1.49 C ATOM 683 C THR A 44 -7.740 0.152 10.003 1.00 1.66 C ATOM 684 O THR A 44 -7.698 -0.667 10.901 1.00 2.14 O ATOM 685 CB THR A 44 -7.206 2.496 10.665 1.00 1.65 C ATOM 686 OG1 THR A 44 -7.983 3.229 9.709 1.00 1.54 O ATOM 687 CG2 THR A 44 -6.063 3.438 11.049 1.00 2.00 C ATOM 0 H THR A 44 -6.800 2.644 8.271 1.00 1.20 H new ATOM 0 HA THR A 44 -5.770 0.870 10.310 1.00 1.49 H new ATOM 0 HB THR A 44 -7.734 2.175 11.563 1.00 1.65 H new ATOM 0 HG1 THR A 44 -8.348 4.034 10.132 1.00 1.54 H new ATOM 0 HG21 THR A 44 -6.464 4.295 11.591 1.00 2.00 H new ATOM 0 HG22 THR A 44 -5.352 2.908 11.683 1.00 2.00 H new ATOM 0 HG23 THR A 44 -5.557 3.783 10.147 1.00 2.00 H new ATOM 695 N GLN A 45 -8.662 0.150 9.080 1.00 1.69 N ATOM 696 CA GLN A 45 -9.752 -0.877 9.081 1.00 2.13 C ATOM 697 C GLN A 45 -9.351 -2.091 8.224 1.00 1.89 C ATOM 698 O GLN A 45 -10.020 -3.119 8.243 1.00 1.90 O ATOM 699 CB GLN A 45 -11.010 -0.179 8.539 1.00 2.66 C ATOM 700 CG GLN A 45 -12.209 -1.133 8.408 1.00 3.90 C ATOM 701 CD GLN A 45 -12.603 -1.735 9.762 1.00 3.96 C ATOM 702 OE1 GLN A 45 -12.024 -2.702 10.213 1.00 4.74 O ATOM 703 NE2 GLN A 45 -13.588 -1.213 10.433 1.00 4.29 N ATOM 0 H GLN A 45 -8.710 0.823 8.315 1.00 1.69 H new ATOM 0 HA GLN A 45 -9.939 -1.263 10.083 1.00 2.13 H new ATOM 0 HB2 GLN A 45 -11.277 0.645 9.201 1.00 2.66 H new ATOM 0 HB3 GLN A 45 -10.788 0.255 7.564 1.00 2.66 H new ATOM 0 HG2 GLN A 45 -13.059 -0.595 7.988 1.00 3.90 H new ATOM 0 HG3 GLN A 45 -11.963 -1.934 7.711 1.00 3.90 H new ATOM 0 HE21 GLN A 45 -14.082 -0.400 10.064 1.00 4.29 H new ATOM 0 HE22 GLN A 45 -13.866 -1.616 11.328 1.00 4.29 H new ATOM 712 N ILE A 46 -8.302 -1.939 7.455 1.00 2.04 N ATOM 713 CA ILE A 46 -7.815 -3.079 6.618 1.00 1.83 C ATOM 714 C ILE A 46 -7.511 -4.260 7.554 1.00 1.83 C ATOM 715 O ILE A 46 -7.157 -4.049 8.699 1.00 1.97 O ATOM 716 CB ILE A 46 -6.529 -2.617 5.868 1.00 1.48 C ATOM 717 CG1 ILE A 46 -6.824 -2.424 4.372 1.00 1.94 C ATOM 718 CG2 ILE A 46 -5.368 -3.618 6.015 1.00 1.06 C ATOM 719 CD1 ILE A 46 -7.647 -1.149 4.165 1.00 2.23 C ATOM 0 H ILE A 46 -7.763 -1.077 7.370 1.00 2.04 H new ATOM 0 HA ILE A 46 -8.559 -3.389 5.884 1.00 1.83 H new ATOM 0 HB ILE A 46 -6.227 -1.674 6.324 1.00 1.48 H new ATOM 0 HG12 ILE A 46 -5.890 -2.360 3.813 1.00 1.94 H new ATOM 0 HG13 ILE A 46 -7.368 -3.286 3.985 1.00 1.94 H new ATOM 0 HG21 ILE A 46 -4.497 -3.248 5.474 1.00 1.06 H new ATOM 0 HG22 ILE A 46 -5.118 -3.733 7.070 1.00 1.06 H new ATOM 0 HG23 ILE A 46 -5.666 -4.583 5.606 1.00 1.06 H new ATOM 0 HD11 ILE A 46 -7.853 -1.017 3.103 1.00 2.23 H new ATOM 0 HD12 ILE A 46 -8.588 -1.231 4.710 1.00 2.23 H new ATOM 0 HD13 ILE A 46 -7.087 -0.290 4.535 1.00 2.23 H new ATOM 731 N LYS A 47 -7.633 -5.473 7.061 1.00 1.77 N ATOM 732 CA LYS A 47 -7.330 -6.660 7.925 1.00 1.79 C ATOM 733 C LYS A 47 -6.200 -7.483 7.293 1.00 1.26 C ATOM 734 O LYS A 47 -5.837 -7.258 6.155 1.00 1.05 O ATOM 735 CB LYS A 47 -8.579 -7.548 8.067 1.00 2.25 C ATOM 736 CG LYS A 47 -9.184 -7.377 9.472 1.00 2.54 C ATOM 737 CD LYS A 47 -9.889 -6.019 9.585 1.00 3.98 C ATOM 738 CE LYS A 47 -11.264 -6.108 8.921 1.00 5.71 C ATOM 739 NZ LYS A 47 -11.915 -4.772 8.878 1.00 7.18 N ATOM 0 H LYS A 47 -7.926 -5.690 6.108 1.00 1.77 H new ATOM 0 HA LYS A 47 -7.025 -6.306 8.910 1.00 1.79 H new ATOM 0 HB2 LYS A 47 -9.315 -7.280 7.309 1.00 2.25 H new ATOM 0 HB3 LYS A 47 -8.315 -8.592 7.899 1.00 2.25 H new ATOM 0 HG2 LYS A 47 -9.893 -8.181 9.670 1.00 2.54 H new ATOM 0 HG3 LYS A 47 -8.399 -7.451 10.225 1.00 2.54 H new ATOM 0 HD2 LYS A 47 -9.996 -5.737 10.633 1.00 3.98 H new ATOM 0 HD3 LYS A 47 -9.290 -5.244 9.106 1.00 3.98 H new ATOM 0 HE2 LYS A 47 -11.160 -6.500 7.909 1.00 5.71 H new ATOM 0 HE3 LYS A 47 -11.894 -6.807 9.471 1.00 5.71 H new ATOM 0 HZ1 LYS A 47 -12.911 -4.880 8.599 1.00 7.18 H new ATOM 0 HZ2 LYS A 47 -11.865 -4.331 9.819 1.00 7.18 H new ATOM 0 HZ3 LYS A 47 -11.425 -4.169 8.187 1.00 7.18 H new ATOM 753 N PRO A 48 -5.663 -8.427 8.044 1.00 1.27 N ATOM 754 CA PRO A 48 -4.714 -9.423 7.489 1.00 0.97 C ATOM 755 C PRO A 48 -5.424 -10.461 6.606 1.00 0.82 C ATOM 756 O PRO A 48 -6.614 -10.682 6.725 1.00 1.05 O ATOM 757 CB PRO A 48 -4.090 -10.081 8.729 1.00 1.17 C ATOM 758 CG PRO A 48 -4.503 -9.217 9.939 1.00 1.57 C ATOM 759 CD PRO A 48 -5.800 -8.513 9.519 1.00 1.71 C ATOM 0 HA PRO A 48 -3.970 -8.961 6.840 1.00 0.97 H new ATOM 0 HB2 PRO A 48 -4.445 -11.105 8.845 1.00 1.17 H new ATOM 0 HB3 PRO A 48 -3.005 -10.128 8.638 1.00 1.17 H new ATOM 0 HG2 PRO A 48 -4.660 -9.832 10.825 1.00 1.57 H new ATOM 0 HG3 PRO A 48 -3.727 -8.493 10.187 1.00 1.57 H new ATOM 0 HD2 PRO A 48 -6.682 -9.082 9.811 1.00 1.71 H new ATOM 0 HD3 PRO A 48 -5.891 -7.527 9.975 1.00 1.71 H new ATOM 767 N HIS A 49 -4.647 -11.088 5.756 1.00 0.88 N ATOM 768 CA HIS A 49 -5.183 -12.124 4.814 1.00 1.25 C ATOM 769 C HIS A 49 -6.304 -11.532 3.939 1.00 1.34 C ATOM 770 O HIS A 49 -7.365 -12.107 3.746 1.00 1.67 O ATOM 771 CB HIS A 49 -5.678 -13.331 5.625 1.00 1.54 C ATOM 772 CG HIS A 49 -4.600 -13.915 6.546 1.00 1.80 C ATOM 773 ND1 HIS A 49 -3.378 -14.126 6.129 1.00 3.12 N ATOM 774 CD2 HIS A 49 -4.638 -14.328 7.852 1.00 1.94 C ATOM 775 CE1 HIS A 49 -2.681 -14.648 7.108 1.00 3.58 C ATOM 776 NE2 HIS A 49 -3.454 -14.769 8.158 1.00 2.66 N ATOM 0 H HIS A 49 -3.644 -10.923 5.673 1.00 0.88 H new ATOM 0 HA HIS A 49 -4.391 -12.455 4.142 1.00 1.25 H new ATOM 0 HB2 HIS A 49 -6.537 -13.031 6.225 1.00 1.54 H new ATOM 0 HB3 HIS A 49 -6.022 -14.106 4.940 1.00 1.54 H new ATOM 0 HD1 HIS A 49 -3.026 -13.918 5.195 1.00 3.12 H new ATOM 0 HD2 HIS A 49 -5.495 -14.293 8.508 1.00 1.94 H new ATOM 0 HE1 HIS A 49 -1.640 -14.932 7.057 1.00 3.58 H new ATOM 784 N SER A 50 -6.023 -10.364 3.442 1.00 1.22 N ATOM 785 CA SER A 50 -6.966 -9.624 2.548 1.00 1.52 C ATOM 786 C SER A 50 -6.111 -8.711 1.652 1.00 1.32 C ATOM 787 O SER A 50 -4.925 -8.564 1.913 1.00 1.97 O ATOM 788 CB SER A 50 -7.931 -8.785 3.397 1.00 1.79 C ATOM 789 OG SER A 50 -8.670 -9.728 4.178 1.00 3.02 O ATOM 0 H SER A 50 -5.149 -9.871 3.622 1.00 1.22 H new ATOM 0 HA SER A 50 -7.559 -10.310 1.943 1.00 1.52 H new ATOM 0 HB2 SER A 50 -7.388 -8.087 4.034 1.00 1.79 H new ATOM 0 HB3 SER A 50 -8.594 -8.192 2.767 1.00 1.79 H new ATOM 0 HG SER A 50 -9.308 -9.251 4.748 1.00 3.02 H new ATOM 795 N THR A 51 -6.679 -8.137 0.615 1.00 1.35 N ATOM 796 CA THR A 51 -5.852 -7.240 -0.253 1.00 1.18 C ATOM 797 C THR A 51 -6.469 -5.835 -0.336 1.00 1.19 C ATOM 798 O THR A 51 -7.675 -5.701 -0.469 1.00 1.66 O ATOM 799 CB THR A 51 -5.728 -7.870 -1.652 1.00 1.78 C ATOM 800 OG1 THR A 51 -7.016 -7.820 -2.253 1.00 2.17 O ATOM 801 CG2 THR A 51 -5.442 -9.370 -1.550 1.00 2.22 C ATOM 0 H THR A 51 -7.654 -8.247 0.338 1.00 1.35 H new ATOM 0 HA THR A 51 -4.859 -7.133 0.183 1.00 1.18 H new ATOM 0 HB THR A 51 -4.943 -7.344 -2.195 1.00 1.78 H new ATOM 0 HG1 THR A 51 -7.180 -8.652 -2.745 1.00 2.17 H new ATOM 0 HG21 THR A 51 -5.359 -9.793 -2.551 1.00 2.22 H new ATOM 0 HG22 THR A 51 -4.508 -9.526 -1.011 1.00 2.22 H new ATOM 0 HG23 THR A 51 -6.256 -9.860 -1.016 1.00 2.22 H new ATOM 809 N VAL A 52 -5.621 -4.849 -0.314 1.00 0.97 N ATOM 810 CA VAL A 52 -6.075 -3.429 -0.371 1.00 1.04 C ATOM 811 C VAL A 52 -5.910 -2.913 -1.800 1.00 0.99 C ATOM 812 O VAL A 52 -4.924 -3.229 -2.444 1.00 1.04 O ATOM 813 CB VAL A 52 -5.192 -2.617 0.612 1.00 1.16 C ATOM 814 CG1 VAL A 52 -3.708 -2.885 0.337 1.00 2.95 C ATOM 815 CG2 VAL A 52 -5.431 -1.110 0.474 1.00 2.31 C ATOM 0 H VAL A 52 -4.609 -4.967 -0.258 1.00 0.97 H new ATOM 0 HA VAL A 52 -7.124 -3.332 -0.090 1.00 1.04 H new ATOM 0 HB VAL A 52 -5.463 -2.935 1.619 1.00 1.16 H new ATOM 0 HG11 VAL A 52 -3.099 -2.309 1.034 1.00 2.95 H new ATOM 0 HG12 VAL A 52 -3.500 -3.947 0.466 1.00 2.95 H new ATOM 0 HG13 VAL A 52 -3.468 -2.590 -0.684 1.00 2.95 H new ATOM 0 HG21 VAL A 52 -4.795 -0.575 1.179 1.00 2.31 H new ATOM 0 HG22 VAL A 52 -5.192 -0.795 -0.542 1.00 2.31 H new ATOM 0 HG23 VAL A 52 -6.476 -0.886 0.687 1.00 2.31 H new ATOM 825 N ASP A 53 -6.861 -2.131 -2.248 1.00 1.04 N ATOM 826 CA ASP A 53 -6.782 -1.568 -3.636 1.00 1.11 C ATOM 827 C ASP A 53 -6.611 -0.063 -3.491 1.00 1.11 C ATOM 828 O ASP A 53 -7.539 0.626 -3.093 1.00 1.34 O ATOM 829 CB ASP A 53 -8.071 -1.845 -4.446 1.00 1.28 C ATOM 830 CG ASP A 53 -8.242 -3.337 -4.788 1.00 2.15 C ATOM 831 OD1 ASP A 53 -7.561 -4.142 -4.190 1.00 3.32 O ATOM 832 OD2 ASP A 53 -9.085 -3.589 -5.635 1.00 2.83 O ATOM 0 H ASP A 53 -7.687 -1.857 -1.716 1.00 1.04 H new ATOM 0 HA ASP A 53 -5.953 -2.034 -4.169 1.00 1.11 H new ATOM 0 HB2 ASP A 53 -8.935 -1.505 -3.875 1.00 1.28 H new ATOM 0 HB3 ASP A 53 -8.049 -1.264 -5.368 1.00 1.28 H new ATOM 837 N PHE A 54 -5.437 0.414 -3.785 1.00 1.10 N ATOM 838 CA PHE A 54 -5.182 1.869 -3.653 1.00 1.21 C ATOM 839 C PHE A 54 -4.523 2.379 -4.926 1.00 1.25 C ATOM 840 O PHE A 54 -4.128 1.602 -5.780 1.00 1.77 O ATOM 841 CB PHE A 54 -4.281 2.102 -2.430 1.00 1.78 C ATOM 842 CG PHE A 54 -2.796 1.979 -2.790 1.00 0.99 C ATOM 843 CD1 PHE A 54 -2.196 0.741 -2.931 1.00 1.35 C ATOM 844 CD2 PHE A 54 -2.031 3.119 -2.953 1.00 1.48 C ATOM 845 CE1 PHE A 54 -0.852 0.647 -3.225 1.00 1.92 C ATOM 846 CE2 PHE A 54 -0.689 3.022 -3.245 1.00 1.88 C ATOM 847 CZ PHE A 54 -0.098 1.787 -3.377 1.00 2.03 C ATOM 0 H PHE A 54 -4.645 -0.141 -4.110 1.00 1.10 H new ATOM 0 HA PHE A 54 -6.115 2.413 -3.510 1.00 1.21 H new ATOM 0 HB2 PHE A 54 -4.475 3.092 -2.018 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -4.528 1.379 -1.652 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -2.783 -0.157 -2.810 1.00 1.35 H new ATOM 0 HD2 PHE A 54 -2.489 4.092 -2.851 1.00 1.48 H new ATOM 0 HE1 PHE A 54 -0.391 -0.323 -3.336 1.00 1.92 H new ATOM 0 HE2 PHE A 54 -0.099 3.918 -3.371 1.00 1.88 H new ATOM 0 HZ PHE A 54 0.956 1.713 -3.600 1.00 2.03 H new ATOM 857 N ARG A 55 -4.386 3.667 -5.021 1.00 1.31 N ATOM 858 CA ARG A 55 -3.764 4.226 -6.249 1.00 1.66 C ATOM 859 C ARG A 55 -2.588 5.144 -5.915 1.00 1.92 C ATOM 860 O ARG A 55 -2.398 5.557 -4.780 1.00 2.38 O ATOM 861 CB ARG A 55 -4.846 4.976 -7.045 1.00 2.03 C ATOM 862 CG ARG A 55 -5.239 6.280 -6.343 1.00 2.69 C ATOM 863 CD ARG A 55 -6.379 6.936 -7.126 1.00 3.28 C ATOM 864 NE ARG A 55 -6.572 8.321 -6.619 1.00 4.00 N ATOM 865 CZ ARG A 55 -6.316 9.318 -7.404 1.00 4.65 C ATOM 866 NH1 ARG A 55 -7.097 9.550 -8.416 1.00 5.35 N ATOM 867 NH2 ARG A 55 -5.252 10.012 -7.155 1.00 5.37 N ATOM 0 H ARG A 55 -4.671 4.347 -4.317 1.00 1.31 H new ATOM 0 HA ARG A 55 -3.361 3.412 -6.852 1.00 1.66 H new ATOM 0 HB2 ARG A 55 -4.479 5.195 -8.048 1.00 2.03 H new ATOM 0 HB3 ARG A 55 -5.725 4.341 -7.159 1.00 2.03 H new ATOM 0 HG2 ARG A 55 -5.552 6.078 -5.319 1.00 2.69 H new ATOM 0 HG3 ARG A 55 -4.383 6.952 -6.288 1.00 2.69 H new ATOM 0 HD2 ARG A 55 -6.145 6.953 -8.191 1.00 3.28 H new ATOM 0 HD3 ARG A 55 -7.297 6.360 -7.010 1.00 3.28 H new ATOM 0 HE ARG A 55 -6.901 8.483 -5.667 1.00 4.00 H new ATOM 0 HH11 ARG A 55 -7.903 8.949 -8.586 1.00 5.35 H new ATOM 0 HH12 ARG A 55 -6.904 10.333 -9.040 1.00 5.35 H new ATOM 0 HH21 ARG A 55 -4.655 9.764 -6.366 1.00 5.37 H new ATOM 0 HH22 ARG A 55 -5.011 10.807 -7.748 1.00 5.37 H new ATOM 881 N VAL A 56 -1.832 5.431 -6.931 1.00 2.25 N ATOM 882 CA VAL A 56 -0.646 6.314 -6.773 1.00 2.92 C ATOM 883 C VAL A 56 -0.831 7.541 -7.666 1.00 2.36 C ATOM 884 O VAL A 56 -1.244 7.407 -8.812 1.00 2.40 O ATOM 885 CB VAL A 56 0.616 5.546 -7.222 1.00 4.06 C ATOM 886 CG1 VAL A 56 1.867 6.387 -6.932 1.00 5.44 C ATOM 887 CG2 VAL A 56 0.722 4.215 -6.465 1.00 5.42 C ATOM 0 H VAL A 56 -1.986 5.087 -7.879 1.00 2.25 H new ATOM 0 HA VAL A 56 -0.539 6.620 -5.732 1.00 2.92 H new ATOM 0 HB VAL A 56 0.543 5.350 -8.292 1.00 4.06 H new ATOM 0 HG11 VAL A 56 2.755 5.841 -7.251 1.00 5.44 H new ATOM 0 HG12 VAL A 56 1.806 7.329 -7.476 1.00 5.44 H new ATOM 0 HG13 VAL A 56 1.930 6.589 -5.863 1.00 5.44 H new ATOM 0 HG21 VAL A 56 1.616 3.682 -6.790 1.00 5.42 H new ATOM 0 HG22 VAL A 56 0.784 4.409 -5.394 1.00 5.42 H new ATOM 0 HG23 VAL A 56 -0.159 3.607 -6.673 1.00 5.42 H new ATOM 897 N LYS A 57 -0.498 8.702 -7.153 1.00 2.50 N ATOM 898 CA LYS A 57 -0.637 9.931 -7.986 1.00 2.21 C ATOM 899 C LYS A 57 0.717 10.163 -8.670 1.00 2.44 C ATOM 900 O LYS A 57 1.693 9.522 -8.335 1.00 3.52 O ATOM 901 CB LYS A 57 -0.987 11.162 -7.119 1.00 2.55 C ATOM 902 CG LYS A 57 -1.704 10.761 -5.811 1.00 3.30 C ATOM 903 CD LYS A 57 -0.727 10.863 -4.624 1.00 4.14 C ATOM 904 CE LYS A 57 -0.433 12.342 -4.331 1.00 4.50 C ATOM 905 NZ LYS A 57 0.494 12.478 -3.178 1.00 5.65 N ATOM 0 H LYS A 57 -0.142 8.848 -6.208 1.00 2.50 H new ATOM 0 HA LYS A 57 -1.441 9.799 -8.710 1.00 2.21 H new ATOM 0 HB2 LYS A 57 -0.075 11.709 -6.880 1.00 2.55 H new ATOM 0 HB3 LYS A 57 -1.624 11.838 -7.689 1.00 2.55 H new ATOM 0 HG2 LYS A 57 -2.563 11.411 -5.643 1.00 3.30 H new ATOM 0 HG3 LYS A 57 -2.086 9.743 -5.893 1.00 3.30 H new ATOM 0 HD2 LYS A 57 -1.156 10.385 -3.743 1.00 4.14 H new ATOM 0 HD3 LYS A 57 0.199 10.335 -4.854 1.00 4.14 H new ATOM 0 HE2 LYS A 57 0.004 12.812 -5.212 1.00 4.50 H new ATOM 0 HE3 LYS A 57 -1.364 12.867 -4.119 1.00 4.50 H new ATOM 0 HZ1 LYS A 57 0.138 13.210 -2.531 1.00 5.65 H new ATOM 0 HZ2 LYS A 57 0.557 11.570 -2.674 1.00 5.65 H new ATOM 0 HZ3 LYS A 57 1.438 12.749 -3.521 1.00 5.65 H new ATOM 919 N ALA A 58 0.782 11.135 -9.539 1.00 2.35 N ATOM 920 CA ALA A 58 2.062 11.402 -10.271 1.00 2.63 C ATOM 921 C ALA A 58 3.047 12.227 -9.441 1.00 2.89 C ATOM 922 O ALA A 58 3.701 13.146 -9.897 1.00 3.72 O ATOM 923 CB ALA A 58 1.720 12.153 -11.512 1.00 2.87 C ATOM 0 H ALA A 58 0.009 11.756 -9.776 1.00 2.35 H new ATOM 0 HA ALA A 58 2.546 10.450 -10.489 1.00 2.63 H new ATOM 0 HB1 ALA A 58 2.631 12.365 -12.072 1.00 2.87 H new ATOM 0 HB2 ALA A 58 1.048 11.554 -12.126 1.00 2.87 H new ATOM 0 HB3 ALA A 58 1.230 13.090 -11.247 1.00 2.87 H new ATOM 929 N GLU A 59 3.132 11.783 -8.255 1.00 2.98 N ATOM 930 CA GLU A 59 4.036 12.356 -7.205 1.00 3.46 C ATOM 931 C GLU A 59 5.290 11.476 -7.203 1.00 2.62 C ATOM 932 O GLU A 59 5.714 10.950 -6.187 1.00 3.50 O ATOM 933 CB GLU A 59 3.319 12.255 -5.850 1.00 4.31 C ATOM 934 CG GLU A 59 4.115 12.990 -4.759 1.00 5.54 C ATOM 935 CD GLU A 59 4.060 12.172 -3.465 1.00 7.19 C ATOM 936 OE1 GLU A 59 3.036 12.271 -2.802 1.00 7.74 O ATOM 937 OE2 GLU A 59 5.037 11.471 -3.229 1.00 8.20 O ATOM 0 H GLU A 59 2.582 10.990 -7.923 1.00 2.98 H new ATOM 0 HA GLU A 59 4.292 13.399 -7.392 1.00 3.46 H new ATOM 0 HB2 GLU A 59 2.320 12.683 -5.929 1.00 4.31 H new ATOM 0 HB3 GLU A 59 3.197 11.207 -5.575 1.00 4.31 H new ATOM 0 HG2 GLU A 59 5.149 13.126 -5.075 1.00 5.54 H new ATOM 0 HG3 GLU A 59 3.699 13.984 -4.594 1.00 5.54 H new ATOM 944 N ASP A 60 5.834 11.347 -8.379 1.00 2.21 N ATOM 945 CA ASP A 60 7.033 10.494 -8.599 1.00 2.81 C ATOM 946 C ASP A 60 6.605 9.046 -8.345 1.00 2.24 C ATOM 947 O ASP A 60 7.216 8.309 -7.609 1.00 2.61 O ATOM 948 CB ASP A 60 8.194 10.907 -7.676 1.00 4.45 C ATOM 949 CG ASP A 60 9.482 10.177 -8.074 1.00 6.35 C ATOM 950 OD1 ASP A 60 9.517 9.675 -9.201 1.00 7.20 O ATOM 951 OD2 ASP A 60 10.389 10.215 -7.255 1.00 7.40 O ATOM 0 H ASP A 60 5.488 11.810 -9.219 1.00 2.21 H new ATOM 0 HA ASP A 60 7.403 10.610 -9.618 1.00 2.81 H new ATOM 0 HB2 ASP A 60 8.347 11.985 -7.734 1.00 4.45 H new ATOM 0 HB3 ASP A 60 7.943 10.676 -6.641 1.00 4.45 H new ATOM 956 N ILE A 61 5.488 8.729 -8.955 1.00 1.59 N ATOM 957 CA ILE A 61 4.861 7.361 -8.884 1.00 1.33 C ATOM 958 C ILE A 61 5.884 6.251 -8.639 1.00 1.02 C ATOM 959 O ILE A 61 5.684 5.372 -7.810 1.00 1.48 O ATOM 960 CB ILE A 61 4.163 7.050 -10.223 1.00 1.43 C ATOM 961 CG1 ILE A 61 3.280 8.221 -10.653 1.00 2.19 C ATOM 962 CG2 ILE A 61 3.306 5.781 -10.059 1.00 1.89 C ATOM 963 CD1 ILE A 61 2.667 7.942 -12.030 1.00 2.82 C ATOM 0 H ILE A 61 4.960 9.390 -9.525 1.00 1.59 H new ATOM 0 HA ILE A 61 4.161 7.383 -8.048 1.00 1.33 H new ATOM 0 HB ILE A 61 4.919 6.890 -10.992 1.00 1.43 H new ATOM 0 HG12 ILE A 61 2.489 8.378 -9.920 1.00 2.19 H new ATOM 0 HG13 ILE A 61 3.869 9.137 -10.688 1.00 2.19 H new ATOM 0 HG21 ILE A 61 2.808 5.554 -11.002 1.00 1.89 H new ATOM 0 HG22 ILE A 61 3.945 4.945 -9.775 1.00 1.89 H new ATOM 0 HG23 ILE A 61 2.557 5.945 -9.284 1.00 1.89 H new ATOM 0 HD11 ILE A 61 2.040 8.783 -12.326 1.00 2.82 H new ATOM 0 HD12 ILE A 61 3.463 7.807 -12.762 1.00 2.82 H new ATOM 0 HD13 ILE A 61 2.061 7.037 -11.982 1.00 2.82 H new ATOM 975 N LEU A 62 6.949 6.318 -9.391 1.00 1.06 N ATOM 976 CA LEU A 62 8.021 5.286 -9.290 1.00 1.12 C ATOM 977 C LEU A 62 8.624 5.190 -7.882 1.00 1.07 C ATOM 978 O LEU A 62 9.587 4.485 -7.686 1.00 1.52 O ATOM 979 CB LEU A 62 9.116 5.620 -10.318 1.00 1.72 C ATOM 980 CG LEU A 62 9.303 4.446 -11.295 1.00 2.90 C ATOM 981 CD1 LEU A 62 10.279 4.865 -12.402 1.00 3.27 C ATOM 982 CD2 LEU A 62 9.873 3.228 -10.548 1.00 4.07 C ATOM 0 H LEU A 62 7.124 7.051 -10.078 1.00 1.06 H new ATOM 0 HA LEU A 62 7.577 4.313 -9.499 1.00 1.12 H new ATOM 0 HB2 LEU A 62 8.846 6.521 -10.868 1.00 1.72 H new ATOM 0 HB3 LEU A 62 10.055 5.829 -9.805 1.00 1.72 H new ATOM 0 HG LEU A 62 8.339 4.180 -11.729 1.00 2.90 H new ATOM 0 HD11 LEU A 62 10.416 4.038 -13.098 1.00 3.27 H new ATOM 0 HD12 LEU A 62 9.876 5.726 -12.936 1.00 3.27 H new ATOM 0 HD13 LEU A 62 11.239 5.130 -11.959 1.00 3.27 H new ATOM 0 HD21 LEU A 62 10.003 2.401 -11.246 1.00 4.07 H new ATOM 0 HD22 LEU A 62 10.837 3.488 -10.110 1.00 4.07 H new ATOM 0 HD23 LEU A 62 9.184 2.931 -9.757 1.00 4.07 H new ATOM 994 N ALA A 63 8.065 5.894 -6.936 1.00 1.06 N ATOM 995 CA ALA A 63 8.584 5.811 -5.544 1.00 1.07 C ATOM 996 C ALA A 63 7.665 4.884 -4.739 1.00 0.89 C ATOM 997 O ALA A 63 8.044 4.339 -3.718 1.00 1.07 O ATOM 998 CB ALA A 63 8.596 7.202 -4.946 1.00 1.32 C ATOM 0 H ALA A 63 7.272 6.522 -7.068 1.00 1.06 H new ATOM 0 HA ALA A 63 9.598 5.412 -5.527 1.00 1.07 H new ATOM 0 HB1 ALA A 63 8.975 7.156 -3.925 1.00 1.32 H new ATOM 0 HB2 ALA A 63 9.239 7.849 -5.543 1.00 1.32 H new ATOM 0 HB3 ALA A 63 7.583 7.604 -4.940 1.00 1.32 H new ATOM 1004 N VAL A 64 6.460 4.726 -5.230 1.00 0.84 N ATOM 1005 CA VAL A 64 5.494 3.816 -4.552 1.00 0.75 C ATOM 1006 C VAL A 64 5.739 2.434 -5.137 1.00 0.70 C ATOM 1007 O VAL A 64 5.959 1.494 -4.394 1.00 0.76 O ATOM 1008 CB VAL A 64 4.037 4.232 -4.814 1.00 0.80 C ATOM 1009 CG1 VAL A 64 3.106 3.163 -4.215 1.00 0.96 C ATOM 1010 CG2 VAL A 64 3.747 5.588 -4.153 1.00 1.06 C ATOM 0 H VAL A 64 6.107 5.188 -6.068 1.00 0.84 H new ATOM 0 HA VAL A 64 5.642 3.846 -3.472 1.00 0.75 H new ATOM 0 HB VAL A 64 3.870 4.321 -5.887 1.00 0.80 H new ATOM 0 HG11 VAL A 64 2.068 3.444 -4.393 1.00 0.96 H new ATOM 0 HG12 VAL A 64 3.307 2.200 -4.685 1.00 0.96 H new ATOM 0 HG13 VAL A 64 3.283 3.087 -3.142 1.00 0.96 H new ATOM 0 HG21 VAL A 64 2.712 5.873 -4.345 1.00 1.06 H new ATOM 0 HG22 VAL A 64 3.908 5.511 -3.078 1.00 1.06 H new ATOM 0 HG23 VAL A 64 4.414 6.344 -4.566 1.00 1.06 H new ATOM 1020 N GLU A 65 5.671 2.338 -6.456 1.00 0.84 N ATOM 1021 CA GLU A 65 5.946 1.016 -7.102 1.00 0.98 C ATOM 1022 C GLU A 65 7.271 0.524 -6.493 1.00 1.00 C ATOM 1023 O GLU A 65 7.442 -0.640 -6.196 1.00 1.13 O ATOM 1024 CB GLU A 65 6.049 1.187 -8.634 1.00 1.19 C ATOM 1025 CG GLU A 65 4.689 1.664 -9.211 1.00 1.51 C ATOM 1026 CD GLU A 65 4.741 1.831 -10.748 1.00 1.80 C ATOM 1027 OE1 GLU A 65 5.787 1.552 -11.309 1.00 2.44 O ATOM 1028 OE2 GLU A 65 3.720 2.251 -11.290 1.00 2.70 O ATOM 0 H GLU A 65 5.442 3.102 -7.092 1.00 0.84 H new ATOM 0 HA GLU A 65 5.149 0.294 -6.926 1.00 0.98 H new ATOM 0 HB2 GLU A 65 6.829 1.910 -8.875 1.00 1.19 H new ATOM 0 HB3 GLU A 65 6.337 0.242 -9.095 1.00 1.19 H new ATOM 0 HG2 GLU A 65 3.912 0.946 -8.950 1.00 1.51 H new ATOM 0 HG3 GLU A 65 4.413 2.613 -8.752 1.00 1.51 H new ATOM 1035 N ASP A 66 8.151 1.480 -6.305 1.00 0.98 N ATOM 1036 CA ASP A 66 9.479 1.222 -5.673 1.00 1.02 C ATOM 1037 C ASP A 66 9.227 0.569 -4.307 1.00 1.00 C ATOM 1038 O ASP A 66 9.497 -0.587 -4.147 1.00 1.20 O ATOM 1039 CB ASP A 66 10.170 2.603 -5.584 1.00 1.11 C ATOM 1040 CG ASP A 66 11.282 2.681 -4.546 1.00 1.46 C ATOM 1041 OD1 ASP A 66 10.941 2.581 -3.388 1.00 2.68 O ATOM 1042 OD2 ASP A 66 12.404 2.908 -4.958 1.00 2.28 O ATOM 0 H ASP A 66 7.997 2.452 -6.572 1.00 0.98 H new ATOM 0 HA ASP A 66 10.124 0.542 -6.230 1.00 1.02 H new ATOM 0 HB2 ASP A 66 10.583 2.853 -6.561 1.00 1.11 H new ATOM 0 HB3 ASP A 66 9.419 3.358 -5.352 1.00 1.11 H new ATOM 1047 N PHE A 67 8.708 1.311 -3.364 1.00 0.80 N ATOM 1048 CA PHE A 67 8.395 0.730 -2.002 1.00 0.88 C ATOM 1049 C PHE A 67 7.770 -0.659 -2.139 1.00 0.97 C ATOM 1050 O PHE A 67 8.182 -1.599 -1.491 1.00 1.21 O ATOM 1051 CB PHE A 67 7.422 1.684 -1.299 1.00 0.78 C ATOM 1052 CG PHE A 67 7.203 1.252 0.154 1.00 0.88 C ATOM 1053 CD1 PHE A 67 8.248 1.274 1.062 1.00 1.41 C ATOM 1054 CD2 PHE A 67 5.944 0.888 0.590 1.00 0.68 C ATOM 1055 CE1 PHE A 67 8.030 0.949 2.387 1.00 1.42 C ATOM 1056 CE2 PHE A 67 5.727 0.567 1.912 1.00 0.72 C ATOM 1057 CZ PHE A 67 6.768 0.598 2.811 1.00 0.94 C ATOM 0 H PHE A 67 8.483 2.300 -3.469 1.00 0.80 H new ATOM 0 HA PHE A 67 9.311 0.623 -1.421 1.00 0.88 H new ATOM 0 HB2 PHE A 67 7.816 2.700 -1.327 1.00 0.78 H new ATOM 0 HB3 PHE A 67 6.469 1.696 -1.828 1.00 0.78 H new ATOM 0 HD1 PHE A 67 9.240 1.547 0.732 1.00 1.41 H new ATOM 0 HD2 PHE A 67 5.123 0.855 -0.111 1.00 0.68 H new ATOM 0 HE1 PHE A 67 8.849 0.970 3.090 1.00 1.42 H new ATOM 0 HE2 PHE A 67 4.737 0.290 2.244 1.00 0.72 H new ATOM 0 HZ PHE A 67 6.596 0.347 3.847 1.00 0.94 H new ATOM 1067 N LEU A 68 6.804 -0.765 -3.005 1.00 0.90 N ATOM 1068 CA LEU A 68 6.149 -2.091 -3.191 1.00 1.05 C ATOM 1069 C LEU A 68 7.163 -3.106 -3.710 1.00 1.16 C ATOM 1070 O LEU A 68 7.116 -4.249 -3.323 1.00 1.44 O ATOM 1071 CB LEU A 68 4.978 -1.970 -4.173 1.00 1.09 C ATOM 1072 CG LEU A 68 3.947 -0.954 -3.644 1.00 1.04 C ATOM 1073 CD1 LEU A 68 2.765 -0.895 -4.617 1.00 1.16 C ATOM 1074 CD2 LEU A 68 3.439 -1.375 -2.254 1.00 1.00 C ATOM 0 H LEU A 68 6.443 -0.007 -3.584 1.00 0.90 H new ATOM 0 HA LEU A 68 5.767 -2.432 -2.229 1.00 1.05 H new ATOM 0 HB2 LEU A 68 5.344 -1.654 -5.150 1.00 1.09 H new ATOM 0 HB3 LEU A 68 4.505 -2.943 -4.309 1.00 1.09 H new ATOM 0 HG LEU A 68 4.420 0.024 -3.562 1.00 1.04 H new ATOM 0 HD11 LEU A 68 2.029 -0.179 -4.252 1.00 1.16 H new ATOM 0 HD12 LEU A 68 3.118 -0.584 -5.600 1.00 1.16 H new ATOM 0 HD13 LEU A 68 2.306 -1.881 -4.692 1.00 1.16 H new ATOM 0 HD21 LEU A 68 2.712 -0.646 -1.896 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.967 -2.355 -2.321 1.00 1.00 H new ATOM 0 HD23 LEU A 68 4.277 -1.422 -1.559 1.00 1.00 H new ATOM 1086 N GLU A 69 8.043 -2.662 -4.561 1.00 1.11 N ATOM 1087 CA GLU A 69 9.079 -3.576 -5.118 1.00 1.21 C ATOM 1088 C GLU A 69 10.235 -3.656 -4.119 1.00 1.22 C ATOM 1089 O GLU A 69 10.454 -4.687 -3.510 1.00 1.20 O ATOM 1090 CB GLU A 69 9.555 -2.997 -6.464 1.00 1.36 C ATOM 1091 CG GLU A 69 10.721 -3.841 -7.024 1.00 1.42 C ATOM 1092 CD GLU A 69 12.096 -3.234 -6.665 1.00 2.75 C ATOM 1093 OE1 GLU A 69 12.132 -2.036 -6.427 1.00 3.79 O ATOM 1094 OE2 GLU A 69 13.047 -3.998 -6.684 1.00 3.90 O ATOM 0 H GLU A 69 8.090 -1.700 -4.897 1.00 1.11 H new ATOM 0 HA GLU A 69 8.684 -4.579 -5.282 1.00 1.21 H new ATOM 0 HB2 GLU A 69 8.730 -2.986 -7.176 1.00 1.36 H new ATOM 0 HB3 GLU A 69 9.875 -1.964 -6.331 1.00 1.36 H new ATOM 0 HG2 GLU A 69 10.658 -4.855 -6.629 1.00 1.42 H new ATOM 0 HG3 GLU A 69 10.628 -3.914 -8.108 1.00 1.42 H new ATOM 1101 N GLN A 70 10.941 -2.562 -4.009 1.00 1.39 N ATOM 1102 CA GLN A 70 12.095 -2.429 -3.071 1.00 1.53 C ATOM 1103 C GLN A 70 11.926 -3.359 -1.863 1.00 1.50 C ATOM 1104 O GLN A 70 12.846 -4.082 -1.507 1.00 1.68 O ATOM 1105 CB GLN A 70 12.176 -0.958 -2.619 1.00 1.73 C ATOM 1106 CG GLN A 70 13.514 -0.708 -1.911 1.00 1.58 C ATOM 1107 CD GLN A 70 13.676 0.767 -1.509 1.00 2.13 C ATOM 1108 OE1 GLN A 70 14.389 1.082 -0.578 1.00 2.69 O ATOM 1109 NE2 GLN A 70 13.078 1.703 -2.177 1.00 2.49 N ATOM 0 H GLN A 70 10.756 -1.720 -4.555 1.00 1.39 H new ATOM 0 HA GLN A 70 13.018 -2.717 -3.574 1.00 1.53 H new ATOM 0 HB2 GLN A 70 12.080 -0.297 -3.480 1.00 1.73 H new ATOM 0 HB3 GLN A 70 11.349 -0.728 -1.947 1.00 1.73 H new ATOM 0 HG2 GLN A 70 13.579 -1.337 -1.023 1.00 1.58 H new ATOM 0 HG3 GLN A 70 14.334 -0.999 -2.568 1.00 1.58 H new ATOM 0 HE21 GLN A 70 12.474 1.462 -2.963 1.00 2.49 H new ATOM 0 HE22 GLN A 70 13.211 2.680 -1.917 1.00 2.49 H new ATOM 1118 N ASN A 71 10.782 -3.265 -1.226 1.00 1.33 N ATOM 1119 CA ASN A 71 10.494 -4.143 -0.062 1.00 1.38 C ATOM 1120 C ASN A 71 9.248 -4.992 -0.346 1.00 1.35 C ATOM 1121 O ASN A 71 8.290 -4.937 0.393 1.00 1.84 O ATOM 1122 CB ASN A 71 10.287 -3.297 1.206 1.00 1.41 C ATOM 1123 CG ASN A 71 9.692 -1.930 0.900 1.00 1.69 C ATOM 1124 OD1 ASN A 71 10.387 -1.022 0.498 1.00 2.99 O ATOM 1125 ND2 ASN A 71 8.431 -1.743 1.083 1.00 1.62 N ATOM 0 H ASN A 71 10.036 -2.613 -1.469 1.00 1.33 H new ATOM 0 HA ASN A 71 11.344 -4.806 0.101 1.00 1.38 H new ATOM 0 HB2 ASN A 71 9.630 -3.831 1.893 1.00 1.41 H new ATOM 0 HB3 ASN A 71 11.243 -3.169 1.714 1.00 1.41 H new ATOM 0 HD21 ASN A 71 8.017 -0.831 0.890 1.00 1.62 H new ATOM 0 HD22 ASN A 71 7.846 -2.507 1.421 1.00 1.62 H new ATOM 1132 N GLU A 72 9.319 -5.728 -1.441 1.00 1.22 N ATOM 1133 CA GLU A 72 8.223 -6.641 -1.915 1.00 1.31 C ATOM 1134 C GLU A 72 7.037 -6.674 -0.961 1.00 1.12 C ATOM 1135 O GLU A 72 6.808 -7.611 -0.211 1.00 1.36 O ATOM 1136 CB GLU A 72 8.773 -8.060 -2.124 1.00 1.69 C ATOM 1137 CG GLU A 72 7.656 -8.981 -2.666 1.00 3.14 C ATOM 1138 CD GLU A 72 6.901 -8.291 -3.820 1.00 4.56 C ATOM 1139 OE1 GLU A 72 7.568 -7.959 -4.790 1.00 5.15 O ATOM 1140 OE2 GLU A 72 5.698 -8.117 -3.655 1.00 5.70 O ATOM 0 H GLU A 72 10.136 -5.729 -2.052 1.00 1.22 H new ATOM 0 HA GLU A 72 7.861 -6.243 -2.863 1.00 1.31 H new ATOM 0 HB2 GLU A 72 9.609 -8.036 -2.823 1.00 1.69 H new ATOM 0 HB3 GLU A 72 9.156 -8.453 -1.183 1.00 1.69 H new ATOM 0 HG2 GLU A 72 8.087 -9.919 -3.015 1.00 3.14 H new ATOM 0 HG3 GLU A 72 6.960 -9.229 -1.865 1.00 3.14 H new ATOM 1147 N LEU A 73 6.313 -5.615 -1.019 1.00 1.00 N ATOM 1148 CA LEU A 73 5.131 -5.494 -0.160 1.00 0.97 C ATOM 1149 C LEU A 73 3.964 -6.203 -0.854 1.00 1.14 C ATOM 1150 O LEU A 73 3.088 -5.571 -1.420 1.00 2.17 O ATOM 1151 CB LEU A 73 4.868 -4.000 0.057 1.00 0.98 C ATOM 1152 CG LEU A 73 3.894 -3.792 1.222 1.00 1.52 C ATOM 1153 CD1 LEU A 73 4.487 -4.356 2.526 1.00 1.90 C ATOM 1154 CD2 LEU A 73 3.647 -2.289 1.398 1.00 2.31 C ATOM 0 H LEU A 73 6.491 -4.819 -1.631 1.00 1.00 H new ATOM 0 HA LEU A 73 5.269 -5.961 0.815 1.00 0.97 H new ATOM 0 HB2 LEU A 73 5.806 -3.485 0.263 1.00 0.98 H new ATOM 0 HB3 LEU A 73 4.457 -3.561 -0.852 1.00 0.98 H new ATOM 0 HG LEU A 73 2.961 -4.311 1.003 1.00 1.52 H new ATOM 0 HD11 LEU A 73 3.783 -4.200 3.343 1.00 1.90 H new ATOM 0 HD12 LEU A 73 4.676 -5.423 2.408 1.00 1.90 H new ATOM 0 HD13 LEU A 73 5.423 -3.845 2.751 1.00 1.90 H new ATOM 0 HD21 LEU A 73 2.955 -2.128 2.225 1.00 2.31 H new ATOM 0 HD22 LEU A 73 4.591 -1.788 1.612 1.00 2.31 H new ATOM 0 HD23 LEU A 73 3.219 -1.881 0.482 1.00 2.31 H new ATOM 1166 N GLN A 74 4.100 -7.515 -0.867 1.00 0.71 N ATOM 1167 CA GLN A 74 3.090 -8.455 -1.466 1.00 0.92 C ATOM 1168 C GLN A 74 2.097 -7.720 -2.381 1.00 0.86 C ATOM 1169 O GLN A 74 0.903 -7.716 -2.105 1.00 1.12 O ATOM 1170 CB GLN A 74 2.315 -9.119 -0.304 1.00 1.25 C ATOM 1171 CG GLN A 74 3.268 -9.565 0.822 1.00 2.06 C ATOM 1172 CD GLN A 74 2.502 -10.476 1.793 1.00 3.29 C ATOM 1173 OE1 GLN A 74 1.841 -11.403 1.372 1.00 3.84 O ATOM 1174 NE2 GLN A 74 2.540 -10.282 3.082 1.00 4.63 N ATOM 0 H GLN A 74 4.909 -7.991 -0.467 1.00 0.71 H new ATOM 0 HA GLN A 74 3.612 -9.194 -2.074 1.00 0.92 H new ATOM 0 HB2 GLN A 74 1.581 -8.418 0.094 1.00 1.25 H new ATOM 0 HB3 GLN A 74 1.762 -9.981 -0.678 1.00 1.25 H new ATOM 0 HG2 GLN A 74 4.123 -10.095 0.403 1.00 2.06 H new ATOM 0 HG3 GLN A 74 3.659 -8.696 1.351 1.00 2.06 H new ATOM 0 HE21 GLN A 74 3.087 -9.511 3.466 1.00 4.63 H new ATOM 0 HE22 GLN A 74 2.023 -10.901 3.706 1.00 4.63 H new ATOM 1183 N TYR A 75 2.576 -7.178 -3.474 1.00 0.91 N ATOM 1184 CA TYR A 75 1.644 -6.408 -4.353 1.00 0.96 C ATOM 1185 C TYR A 75 1.359 -7.076 -5.701 1.00 1.03 C ATOM 1186 O TYR A 75 2.052 -7.972 -6.154 1.00 1.10 O ATOM 1187 CB TYR A 75 2.244 -5.009 -4.587 1.00 1.01 C ATOM 1188 CG TYR A 75 3.325 -5.090 -5.664 1.00 1.04 C ATOM 1189 CD1 TYR A 75 4.605 -5.494 -5.343 1.00 1.12 C ATOM 1190 CD2 TYR A 75 3.013 -4.824 -6.985 1.00 1.31 C ATOM 1191 CE1 TYR A 75 5.557 -5.642 -6.328 1.00 1.39 C ATOM 1192 CE2 TYR A 75 3.964 -4.972 -7.967 1.00 1.56 C ATOM 1193 CZ TYR A 75 5.240 -5.379 -7.648 1.00 1.58 C ATOM 1194 OH TYR A 75 6.179 -5.528 -8.639 1.00 1.96 O ATOM 0 H TYR A 75 3.545 -7.232 -3.789 1.00 0.91 H new ATOM 0 HA TYR A 75 0.685 -6.358 -3.838 1.00 0.96 H new ATOM 0 HB2 TYR A 75 1.463 -4.313 -4.893 1.00 1.01 H new ATOM 0 HB3 TYR A 75 2.668 -4.624 -3.660 1.00 1.01 H new ATOM 0 HD1 TYR A 75 4.862 -5.695 -4.314 1.00 1.12 H new ATOM 0 HD2 TYR A 75 2.017 -4.498 -7.247 1.00 1.31 H new ATOM 0 HE1 TYR A 75 6.554 -5.965 -6.068 1.00 1.39 H new ATOM 0 HE2 TYR A 75 3.708 -4.767 -8.996 1.00 1.56 H new ATOM 0 HH TYR A 75 5.780 -5.300 -9.505 1.00 1.96 H new ATOM 1204 N GLU A 76 0.324 -6.556 -6.304 1.00 1.10 N ATOM 1205 CA GLU A 76 -0.161 -7.024 -7.629 1.00 1.22 C ATOM 1206 C GLU A 76 -0.472 -5.784 -8.483 1.00 1.26 C ATOM 1207 O GLU A 76 -1.014 -4.806 -7.976 1.00 1.37 O ATOM 1208 CB GLU A 76 -1.444 -7.835 -7.382 1.00 1.34 C ATOM 1209 CG GLU A 76 -2.219 -8.101 -8.689 1.00 2.04 C ATOM 1210 CD GLU A 76 -3.723 -8.230 -8.406 1.00 2.66 C ATOM 1211 OE1 GLU A 76 -4.078 -8.463 -7.260 1.00 2.89 O ATOM 1212 OE2 GLU A 76 -4.448 -8.072 -9.364 1.00 3.83 O ATOM 0 H GLU A 76 -0.226 -5.792 -5.911 1.00 1.10 H new ATOM 0 HA GLU A 76 0.576 -7.640 -8.144 1.00 1.22 H new ATOM 0 HB2 GLU A 76 -1.188 -8.785 -6.912 1.00 1.34 H new ATOM 0 HB3 GLU A 76 -2.085 -7.297 -6.684 1.00 1.34 H new ATOM 0 HG2 GLU A 76 -2.044 -7.288 -9.394 1.00 2.04 H new ATOM 0 HG3 GLU A 76 -1.851 -9.014 -9.157 1.00 2.04 H new ATOM 1219 N VAL A 77 -0.200 -5.867 -9.761 1.00 1.34 N ATOM 1220 CA VAL A 77 -0.478 -4.705 -10.660 1.00 1.55 C ATOM 1221 C VAL A 77 -1.835 -4.954 -11.341 1.00 1.73 C ATOM 1222 O VAL A 77 -1.940 -4.958 -12.552 1.00 2.35 O ATOM 1223 CB VAL A 77 0.651 -4.594 -11.711 1.00 1.71 C ATOM 1224 CG1 VAL A 77 0.572 -3.235 -12.424 1.00 1.97 C ATOM 1225 CG2 VAL A 77 2.020 -4.722 -11.023 1.00 2.23 C ATOM 0 H VAL A 77 0.201 -6.685 -10.219 1.00 1.34 H new ATOM 0 HA VAL A 77 -0.515 -3.771 -10.099 1.00 1.55 H new ATOM 0 HB VAL A 77 0.531 -5.396 -12.440 1.00 1.71 H new ATOM 0 HG11 VAL A 77 1.371 -3.165 -13.163 1.00 1.97 H new ATOM 0 HG12 VAL A 77 -0.393 -3.141 -12.923 1.00 1.97 H new ATOM 0 HG13 VAL A 77 0.682 -2.434 -11.693 1.00 1.97 H new ATOM 0 HG21 VAL A 77 2.811 -4.643 -11.769 1.00 2.23 H new ATOM 0 HG22 VAL A 77 2.134 -3.925 -10.288 1.00 2.23 H new ATOM 0 HG23 VAL A 77 2.087 -5.689 -10.524 1.00 2.23 H new