USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 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 59 ASN :FLIP amide:sc= 0.109 F(o=-1.2,f=0.17) USER MOD Set 1.2: A 61 SER OG : rot -97:sc= 0.0615 USER MOD Set 2.1: A 43 GLN : amide:sc= -0.0429 X(o=-0.59,f=-0.85) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.547 X(o=-0.59,f=-0.26) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.36) USER MOD Single : A 27 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-5.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00335 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -0.454 (180deg=-1.76!) USER MOD Single : A 57 HIS : no HD1:sc= -10! C(o=-10!,f=-13!) USER MOD Single : A 60 MET CE :methyl 153:sc= -2.65! (180deg=-3.79!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.3!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.921 F(o=-2.2!,f=-0.92) USER MOD Single : A 86 HIS : no HD1:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 87 SER OG : rot 140:sc= -0.782 USER MOD Single : A 88 MET CE :methyl -149:sc= -1.44 (180deg=-2.82!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -40:sc= 0.791 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0372 USER MOD Single : A 99 TYR OH : rot 175:sc= 1.29 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -139:sc= -1.38! USER MOD Single : A 111 MET CE :methyl -123:sc= -3.2! (180deg=-5.64!) USER MOD Single : A 113 TYR OH : rot 31:sc= 0.971 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot -150:sc= -0.327 USER MOD Single : B 340 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.02) USER MOD Single : B 342 SER OG : rot 170:sc= 0.631 USER MOD Single : B 343 SER OG : rot 180:sc= 0 USER MOD Single : B 344 LYS NZ :NH3+ -114:sc= -1.36 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.141 -17.910 -2.978 1.00 41.44 N ATOM 222 CA PHE A 13 0.997 -17.431 -2.211 1.00 63.33 C ATOM 223 C PHE A 13 2.312 -17.746 -2.927 1.00 44.41 C ATOM 224 O PHE A 13 3.175 -16.880 -3.056 1.00 20.03 O ATOM 225 CB PHE A 13 0.972 -18.166 -0.869 1.00 2.14 C ATOM 226 CG PHE A 13 1.529 -17.348 0.298 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.194 -16.038 0.431 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.360 -17.934 1.203 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.712 -15.279 1.514 1.00 5.13 C ATOM 230 CE2 PHE A 13 2.878 -17.175 2.285 1.00 33.33 C ATOM 231 CZ PHE A 13 2.543 -15.863 2.418 1.00 61.43 C ATOM 0 HA PHE A 13 0.933 -16.350 -2.085 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.055 -18.452 -0.642 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.546 -19.088 -0.960 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.534 -15.574 -0.287 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.625 -18.976 1.098 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.446 -14.238 1.620 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.538 -17.639 3.003 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.937 -15.286 3.241 1.00 61.43 H new ATOM 241 N GLU A 14 2.424 -18.988 -3.373 1.00 55.44 N ATOM 242 CA GLU A 14 3.619 -19.429 -4.073 1.00 2.44 C ATOM 243 C GLU A 14 3.850 -18.573 -5.319 1.00 21.01 C ATOM 244 O GLU A 14 4.987 -18.384 -5.745 1.00 32.24 O ATOM 245 CB GLU A 14 3.528 -20.912 -4.434 1.00 3.33 C ATOM 246 CG GLU A 14 3.597 -21.788 -3.182 1.00 34.15 C ATOM 247 CD GLU A 14 3.890 -23.244 -3.546 1.00 72.44 C ATOM 248 OE1 GLU A 14 3.328 -23.765 -4.521 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.736 -23.840 -2.776 1.00 21.22 O ATOM 0 H GLU A 14 1.706 -19.704 -3.263 1.00 55.44 H new ATOM 0 HA GLU A 14 4.473 -19.304 -3.407 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.596 -21.104 -4.965 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.340 -21.175 -5.111 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.373 -21.413 -2.514 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.653 -21.728 -2.640 1.00 34.15 H new ATOM 257 N GLN A 15 2.750 -18.078 -5.870 1.00 45.15 N ATOM 258 CA GLN A 15 2.818 -17.247 -7.059 1.00 41.13 C ATOM 259 C GLN A 15 3.143 -15.801 -6.679 1.00 53.54 C ATOM 260 O GLN A 15 3.752 -15.072 -7.461 1.00 72.22 O ATOM 261 CB GLN A 15 1.515 -17.325 -7.858 1.00 53.44 C ATOM 262 CG GLN A 15 1.390 -18.671 -8.574 1.00 54.20 C ATOM 263 CD GLN A 15 0.465 -18.562 -9.788 1.00 14.33 C ATOM 264 OE1 GLN A 15 0.884 -18.644 -10.931 1.00 75.04 O ATOM 265 NE2 GLN A 15 -0.815 -18.375 -9.477 1.00 10.33 N ATOM 0 H GLN A 15 1.807 -18.237 -5.514 1.00 45.15 H new ATOM 0 HA GLN A 15 3.619 -17.623 -7.696 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.666 -17.184 -7.190 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.483 -16.516 -8.588 1.00 53.44 H new ATOM 0 HG2 GLN A 15 2.376 -19.011 -8.893 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.003 -19.420 -7.883 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -1.099 -18.315 -8.499 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -1.513 -18.291 -10.216 1.00 10.33 H new ATOM 274 N ARG A 16 2.722 -15.430 -5.480 1.00 3.03 N ATOM 275 CA ARG A 16 2.961 -14.084 -4.986 1.00 14.35 C ATOM 276 C ARG A 16 4.362 -13.982 -4.379 1.00 53.10 C ATOM 277 O ARG A 16 4.931 -12.894 -4.300 1.00 3.11 O ATOM 278 CB ARG A 16 1.925 -13.693 -3.930 1.00 24.11 C ATOM 279 CG ARG A 16 2.118 -12.243 -3.483 1.00 72.42 C ATOM 280 CD ARG A 16 0.909 -11.748 -2.687 1.00 11.40 C ATOM 281 NE ARG A 16 0.543 -12.741 -1.654 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.681 -12.832 -1.091 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.668 -11.987 -1.458 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.898 -13.758 -0.176 1.00 73.11 N ATOM 0 H ARG A 16 2.217 -16.038 -4.835 1.00 3.03 H new ATOM 0 HA ARG A 16 2.877 -13.401 -5.831 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.921 -13.822 -4.335 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.009 -14.357 -3.070 1.00 24.11 H new ATOM 0 HG2 ARG A 16 3.017 -12.164 -2.872 1.00 72.42 H new ATOM 0 HG3 ARG A 16 2.269 -11.607 -4.355 1.00 72.42 H new ATOM 0 HD2 ARG A 16 1.139 -10.791 -2.218 1.00 11.40 H new ATOM 0 HD3 ARG A 16 0.066 -11.580 -3.357 1.00 11.40 H new ATOM 0 HE ARG A 16 1.260 -13.398 -1.348 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.492 -11.273 -2.165 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -2.590 -12.062 -1.028 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -0.147 -14.392 0.096 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.817 -13.840 0.259 1.00 73.11 H new ATOM 297 N VAL A 17 4.877 -15.131 -3.964 1.00 23.21 N ATOM 298 CA VAL A 17 6.200 -15.184 -3.366 1.00 72.24 C ATOM 299 C VAL A 17 7.255 -15.208 -4.474 1.00 12.31 C ATOM 300 O VAL A 17 8.336 -14.641 -4.320 1.00 41.11 O ATOM 301 CB VAL A 17 6.298 -16.381 -2.419 1.00 61.12 C ATOM 302 CG1 VAL A 17 7.735 -16.577 -1.929 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.334 -16.231 -1.242 1.00 4.10 C ATOM 0 H VAL A 17 4.402 -16.031 -4.030 1.00 23.21 H new ATOM 0 HA VAL A 17 6.383 -14.295 -2.763 1.00 72.24 H new ATOM 0 HB VAL A 17 6.009 -17.272 -2.976 1.00 61.12 H new ATOM 0 HG11 VAL A 17 7.777 -17.434 -1.257 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.390 -16.753 -2.783 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.063 -15.684 -1.398 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.425 -17.096 -0.585 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.577 -15.326 -0.686 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.312 -16.164 -1.615 1.00 4.10 H new ATOM 313 N GLU A 18 6.905 -15.872 -5.565 1.00 25.41 N ATOM 314 CA GLU A 18 7.807 -15.978 -6.699 1.00 5.04 C ATOM 315 C GLU A 18 7.843 -14.661 -7.476 1.00 14.13 C ATOM 316 O GLU A 18 8.910 -14.202 -7.880 1.00 42.13 O ATOM 317 CB GLU A 18 7.411 -17.142 -7.610 1.00 74.55 C ATOM 318 CG GLU A 18 6.310 -16.721 -8.587 1.00 43.23 C ATOM 319 CD GLU A 18 5.941 -17.873 -9.524 1.00 34.23 C ATOM 320 OE1 GLU A 18 5.393 -17.635 -10.611 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.245 -19.048 -9.090 1.00 63.31 O ATOM 0 H GLU A 18 6.008 -16.342 -5.688 1.00 25.41 H new ATOM 0 HA GLU A 18 8.809 -16.181 -6.321 1.00 5.04 H new ATOM 0 HB2 GLU A 18 8.283 -17.487 -8.165 1.00 74.55 H new ATOM 0 HB3 GLU A 18 7.065 -17.981 -7.006 1.00 74.55 H new ATOM 0 HG2 GLU A 18 5.428 -16.402 -8.032 1.00 43.23 H new ATOM 0 HG3 GLU A 18 6.645 -15.865 -9.172 1.00 43.23 H new ATOM 329 N ASP A 19 6.662 -14.089 -7.661 1.00 32.14 N ATOM 330 CA ASP A 19 6.543 -12.833 -8.382 1.00 24.24 C ATOM 331 C ASP A 19 7.534 -11.821 -7.802 1.00 51.31 C ATOM 332 O ASP A 19 8.240 -11.141 -8.545 1.00 42.23 O ATOM 333 CB ASP A 19 5.136 -12.249 -8.244 1.00 51.12 C ATOM 334 CG ASP A 19 4.576 -11.606 -9.514 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.248 -12.298 -10.490 1.00 21.13 O ATOM 336 OD2 ASP A 19 4.480 -10.320 -9.477 1.00 21.13 O ATOM 0 H ASP A 19 5.779 -14.472 -7.324 1.00 32.14 H new ATOM 0 HA ASP A 19 6.751 -13.028 -9.434 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.459 -13.042 -7.927 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.145 -11.502 -7.450 1.00 51.12 H new ATOM 342 N VAL A 20 7.555 -11.754 -6.479 1.00 71.23 N ATOM 343 CA VAL A 20 8.447 -10.837 -5.791 1.00 54.42 C ATOM 344 C VAL A 20 9.897 -11.200 -6.117 1.00 35.23 C ATOM 345 O VAL A 20 10.711 -10.324 -6.407 1.00 13.24 O ATOM 346 CB VAL A 20 8.152 -10.848 -4.290 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.191 -11.678 -3.532 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.079 -9.424 -3.734 1.00 35.51 C ATOM 0 H VAL A 20 6.969 -12.320 -5.865 1.00 71.23 H new ATOM 0 HA VAL A 20 8.283 -9.816 -6.134 1.00 54.42 H new ATOM 0 HB VAL A 20 7.178 -11.315 -4.145 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.958 -11.669 -2.467 1.00 23.14 H new ATOM 0 HG12 VAL A 20 9.174 -12.704 -3.898 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.182 -11.252 -3.690 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.868 -9.461 -2.665 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.031 -8.920 -3.899 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.285 -8.875 -4.241 1.00 35.51 H new ATOM 358 N ARG A 21 10.176 -12.495 -6.062 1.00 73.35 N ATOM 359 CA ARG A 21 11.513 -12.985 -6.348 1.00 12.33 C ATOM 360 C ARG A 21 12.132 -12.195 -7.504 1.00 3.32 C ATOM 361 O ARG A 21 13.282 -11.765 -7.420 1.00 20.04 O ATOM 362 CB ARG A 21 11.490 -14.471 -6.711 1.00 32.23 C ATOM 363 CG ARG A 21 12.897 -15.069 -6.667 1.00 24.21 C ATOM 364 CD ARG A 21 12.957 -16.386 -7.443 1.00 65.53 C ATOM 365 NE ARG A 21 12.002 -17.358 -6.864 1.00 31.50 N ATOM 366 CZ ARG A 21 12.111 -18.697 -6.997 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.136 -19.236 -7.693 1.00 64.10 N ATOM 368 NH2 ARG A 21 11.201 -19.472 -6.439 1.00 2.31 N ATOM 0 H ARG A 21 9.498 -13.219 -5.824 1.00 73.35 H new ATOM 0 HA ARG A 21 12.114 -12.852 -5.448 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.841 -15.008 -6.019 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.068 -14.599 -7.708 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.610 -14.361 -7.089 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.192 -15.239 -5.631 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.719 -16.211 -8.492 1.00 65.53 H new ATOM 0 HD3 ARG A 21 13.968 -16.792 -7.409 1.00 65.53 H new ATOM 0 HE ARG A 21 11.212 -16.993 -6.331 1.00 31.50 H new ATOM 0 HH11 ARG A 21 13.835 -18.630 -8.123 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.211 -20.249 -7.789 1.00 64.10 H new ATOM 0 HH21 ARG A 21 10.429 -19.058 -5.916 1.00 2.31 H new ATOM 0 HH22 ARG A 21 11.269 -20.486 -6.530 1.00 2.31 H new ATOM 381 N LEU A 22 11.342 -12.028 -8.553 1.00 21.23 N ATOM 382 CA LEU A 22 11.798 -11.297 -9.724 1.00 44.20 C ATOM 383 C LEU A 22 12.136 -9.860 -9.323 1.00 44.01 C ATOM 384 O LEU A 22 13.209 -9.356 -9.656 1.00 64.33 O ATOM 385 CB LEU A 22 10.767 -11.394 -10.851 1.00 45.15 C ATOM 386 CG LEU A 22 10.570 -12.782 -11.463 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.239 -12.682 -12.953 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.787 -13.673 -11.204 1.00 33.03 C ATOM 0 H LEU A 22 10.389 -12.386 -8.618 1.00 21.23 H new ATOM 0 HA LEU A 22 12.711 -11.742 -10.119 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.807 -11.048 -10.469 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.060 -10.707 -11.645 1.00 45.15 H new ATOM 0 HG LEU A 22 9.717 -13.253 -10.975 1.00 0.33 H new ATOM 0 HD11 LEU A 22 10.104 -13.683 -13.364 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.321 -12.109 -13.084 1.00 14.41 H new ATOM 0 HD13 LEU A 22 11.056 -12.183 -13.474 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.621 -14.654 -11.649 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.672 -13.218 -11.648 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.936 -13.783 -10.130 1.00 33.03 H new ATOM 400 N ILE A 23 11.205 -9.242 -8.614 1.00 72.43 N ATOM 401 CA ILE A 23 11.392 -7.872 -8.164 1.00 73.03 C ATOM 402 C ILE A 23 12.608 -7.806 -7.238 1.00 50.41 C ATOM 403 O ILE A 23 13.209 -6.747 -7.071 1.00 52.54 O ATOM 404 CB ILE A 23 10.106 -7.337 -7.530 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.754 -5.955 -8.088 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.209 -7.329 -6.003 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.564 -6.010 -9.605 1.00 24.34 C ATOM 0 H ILE A 23 10.318 -9.664 -8.339 1.00 72.43 H new ATOM 0 HA ILE A 23 11.599 -7.217 -9.010 1.00 73.03 H new ATOM 0 HB ILE A 23 9.290 -8.009 -7.794 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.842 -5.590 -7.616 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.545 -5.247 -7.842 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.282 -6.944 -5.578 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.379 -8.344 -5.644 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.040 -6.693 -5.698 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.315 -5.016 -9.977 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.486 -6.353 -10.075 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.756 -6.701 -9.846 1.00 24.34 H new ATOM 419 N ARG A 24 12.933 -8.953 -6.658 1.00 12.34 N ATOM 420 CA ARG A 24 14.066 -9.038 -5.754 1.00 45.23 C ATOM 421 C ARG A 24 15.368 -9.189 -6.544 1.00 1.14 C ATOM 422 O ARG A 24 16.398 -8.638 -6.163 1.00 74.04 O ATOM 423 CB ARG A 24 13.920 -10.222 -4.796 1.00 34.14 C ATOM 424 CG ARG A 24 13.493 -9.753 -3.403 1.00 13.13 C ATOM 425 CD ARG A 24 14.413 -8.641 -2.895 1.00 0.34 C ATOM 426 NE ARG A 24 14.556 -8.735 -1.425 1.00 52.12 N ATOM 427 CZ ARG A 24 15.466 -8.043 -0.708 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.323 -7.199 -1.319 1.00 71.43 N ATOM 429 NH2 ARG A 24 15.505 -8.205 0.602 1.00 1.01 N ATOM 0 H ARG A 24 12.431 -9.830 -6.797 1.00 12.34 H new ATOM 0 HA ARG A 24 14.094 -8.116 -5.173 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.184 -10.923 -5.189 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.867 -10.758 -4.728 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.465 -9.393 -3.436 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.515 -10.594 -2.709 1.00 13.13 H new ATOM 0 HD2 ARG A 24 15.391 -8.721 -3.370 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.005 -7.668 -3.168 1.00 0.34 H new ATOM 0 HE ARG A 24 13.928 -9.362 -0.922 1.00 52.12 H new ATOM 0 HH11 ARG A 24 16.287 -7.080 -2.331 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.007 -6.680 -0.769 1.00 71.43 H new ATOM 0 HH21 ARG A 24 14.854 -8.845 1.056 1.00 1.01 H new ATOM 0 HH22 ARG A 24 16.186 -7.690 1.160 1.00 1.01 H new ATOM 442 N GLU A 25 15.277 -9.941 -7.632 1.00 75.54 N ATOM 443 CA GLU A 25 16.434 -10.172 -8.480 1.00 71.24 C ATOM 444 C GLU A 25 16.547 -9.071 -9.535 1.00 4.54 C ATOM 445 O GLU A 25 17.576 -8.943 -10.198 1.00 51.11 O ATOM 446 CB GLU A 25 16.367 -11.553 -9.135 1.00 21.24 C ATOM 447 CG GLU A 25 15.501 -11.522 -10.396 1.00 65.42 C ATOM 448 CD GLU A 25 15.206 -12.938 -10.894 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.711 -13.775 -10.125 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.508 -13.156 -12.129 1.00 50.21 O ATOM 0 H GLU A 25 14.420 -10.398 -7.945 1.00 75.54 H new ATOM 0 HA GLU A 25 17.328 -10.144 -7.857 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.373 -11.888 -9.389 1.00 21.24 H new ATOM 0 HB3 GLU A 25 15.959 -12.275 -8.428 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.565 -11.004 -10.186 1.00 65.42 H new ATOM 0 HG3 GLU A 25 16.010 -10.957 -11.177 1.00 65.42 H new ATOM 458 N GLN A 26 15.476 -8.302 -9.659 1.00 42.22 N ATOM 459 CA GLN A 26 15.442 -7.215 -10.623 1.00 1.04 C ATOM 460 C GLN A 26 15.596 -5.870 -9.912 1.00 74.23 C ATOM 461 O GLN A 26 16.439 -5.057 -10.289 1.00 72.32 O ATOM 462 CB GLN A 26 14.154 -7.254 -11.448 1.00 4.32 C ATOM 463 CG GLN A 26 14.134 -8.468 -12.379 1.00 11.50 C ATOM 464 CD GLN A 26 13.022 -8.343 -13.422 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.818 -7.304 -14.027 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.316 -9.457 -13.596 1.00 14.23 N ATOM 0 H GLN A 26 14.625 -8.410 -9.108 1.00 42.22 H new ATOM 0 HA GLN A 26 16.279 -7.339 -11.310 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.292 -7.289 -10.781 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.066 -6.340 -12.035 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.098 -8.562 -12.880 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.988 -9.376 -11.794 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.540 -10.293 -13.056 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.550 -9.476 -14.270 1.00 14.23 H new ATOM 475 N HIS A 27 14.770 -5.676 -8.894 1.00 51.23 N ATOM 476 CA HIS A 27 14.804 -4.442 -8.126 1.00 52.43 C ATOM 477 C HIS A 27 15.061 -4.763 -6.652 1.00 72.33 C ATOM 478 O HIS A 27 14.140 -4.735 -5.838 1.00 1.33 O ATOM 479 CB HIS A 27 13.525 -3.632 -8.343 1.00 21.24 C ATOM 480 CG HIS A 27 13.128 -3.486 -9.793 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.181 -2.278 -10.466 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.675 -4.408 -10.690 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.773 -2.475 -11.711 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.460 -3.796 -11.847 1.00 22.24 N ATOM 0 H HIS A 27 14.073 -6.353 -8.583 1.00 51.23 H new ATOM 0 HA HIS A 27 15.625 -3.815 -8.474 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.709 -4.109 -7.800 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.658 -2.640 -7.912 1.00 21.24 H new ATOM 0 HD1 HIS A 27 13.483 -1.387 -10.071 1.00 31.43 H new ATOM 0 HD2 HIS A 27 12.518 -5.458 -10.492 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.701 -1.723 -12.482 1.00 74.54 H new ATOM 492 N PRO A 28 16.351 -5.069 -6.347 1.00 55.03 N ATOM 493 CA PRO A 28 16.741 -5.394 -4.986 1.00 41.14 C ATOM 494 C PRO A 28 16.796 -4.136 -4.116 1.00 41.12 C ATOM 495 O PRO A 28 16.575 -4.203 -2.908 1.00 74.04 O ATOM 496 CB PRO A 28 18.088 -6.086 -5.117 1.00 22.43 C ATOM 497 CG PRO A 28 18.618 -5.709 -6.491 1.00 40.31 C ATOM 498 CD PRO A 28 17.468 -5.112 -7.287 1.00 2.23 C ATOM 0 HA PRO A 28 16.022 -6.043 -4.486 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.772 -5.762 -4.332 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.983 -7.167 -5.022 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.434 -4.991 -6.402 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.019 -6.586 -6.999 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.715 -4.116 -7.654 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.230 -5.723 -8.158 1.00 2.23 H new ATOM 506 N THR A 29 17.092 -3.020 -4.764 1.00 63.23 N ATOM 507 CA THR A 29 17.178 -1.749 -4.065 1.00 35.40 C ATOM 508 C THR A 29 15.819 -1.047 -4.063 1.00 2.51 C ATOM 509 O THR A 29 15.748 0.177 -3.965 1.00 3.01 O ATOM 510 CB THR A 29 18.287 -0.923 -4.720 1.00 72.21 C ATOM 511 OG1 THR A 29 17.807 -0.683 -6.040 1.00 20.14 O ATOM 512 CG2 THR A 29 19.570 -1.729 -4.932 1.00 4.31 C ATOM 0 H THR A 29 17.275 -2.969 -5.766 1.00 63.23 H new ATOM 0 HA THR A 29 17.436 -1.892 -3.016 1.00 35.40 H new ATOM 0 HB THR A 29 18.503 -0.052 -4.102 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.464 -0.151 -6.536 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.324 -1.096 -5.400 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.940 -2.084 -3.970 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.361 -2.582 -5.578 1.00 4.31 H new ATOM 520 N LYS A 30 14.773 -1.853 -4.171 1.00 73.12 N ATOM 521 CA LYS A 30 13.419 -1.324 -4.184 1.00 13.34 C ATOM 522 C LYS A 30 12.541 -2.163 -3.252 1.00 74.25 C ATOM 523 O LYS A 30 12.780 -3.356 -3.074 1.00 52.32 O ATOM 524 CB LYS A 30 12.889 -1.240 -5.616 1.00 53.11 C ATOM 525 CG LYS A 30 13.682 -0.219 -6.435 1.00 74.24 C ATOM 526 CD LYS A 30 13.029 1.162 -6.369 1.00 31.34 C ATOM 527 CE LYS A 30 12.299 1.486 -7.674 1.00 62.14 C ATOM 528 NZ LYS A 30 12.573 2.879 -8.091 1.00 64.44 N ATOM 0 H LYS A 30 14.835 -2.868 -4.250 1.00 73.12 H new ATOM 0 HA LYS A 30 13.406 -0.302 -3.804 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.953 -2.220 -6.089 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.835 -0.961 -5.602 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.704 -0.161 -6.059 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.742 -0.548 -7.473 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.326 1.196 -5.537 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.789 1.919 -6.176 1.00 31.34 H new ATOM 0 HE2 LYS A 30 12.618 0.797 -8.456 1.00 62.14 H new ATOM 0 HE3 LYS A 30 11.226 1.344 -7.542 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.070 3.081 -8.978 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.247 3.533 -7.351 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 13.595 3.003 -8.237 1.00 64.44 H new ATOM 541 N ILE A 31 11.543 -1.505 -2.682 1.00 11.23 N ATOM 542 CA ILE A 31 10.627 -2.175 -1.774 1.00 34.53 C ATOM 543 C ILE A 31 9.324 -2.491 -2.510 1.00 61.33 C ATOM 544 O ILE A 31 8.616 -1.583 -2.943 1.00 14.43 O ATOM 545 CB ILE A 31 10.430 -1.344 -0.503 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.774 -1.007 0.145 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.483 -2.049 0.471 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.387 -2.242 0.807 1.00 43.44 C ATOM 0 H ILE A 31 11.348 -0.515 -2.831 1.00 11.23 H new ATOM 0 HA ILE A 31 11.045 -3.126 -1.445 1.00 34.53 H new ATOM 0 HB ILE A 31 9.961 -0.400 -0.780 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.458 -0.617 -0.609 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.637 -0.222 0.888 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.360 -1.438 1.365 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.513 -2.195 -0.005 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.900 -3.017 0.748 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.342 -1.976 1.260 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.712 -2.615 1.577 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.545 -3.016 0.056 1.00 43.44 H new ATOM 560 N PRO A 32 9.040 -3.815 -2.633 1.00 41.13 N ATOM 561 CA PRO A 32 7.834 -4.262 -3.310 1.00 31.23 C ATOM 562 C PRO A 32 6.600 -4.043 -2.433 1.00 60.01 C ATOM 563 O PRO A 32 6.642 -4.275 -1.225 1.00 33.01 O ATOM 564 CB PRO A 32 8.083 -5.727 -3.630 1.00 4.31 C ATOM 565 CG PRO A 32 9.216 -6.166 -2.716 1.00 32.45 C ATOM 566 CD PRO A 32 9.856 -4.917 -2.132 1.00 10.22 C ATOM 0 HA PRO A 32 7.629 -3.698 -4.220 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.187 -6.323 -3.455 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.353 -5.858 -4.678 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.838 -6.808 -1.921 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.952 -6.747 -3.272 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.858 -4.945 -1.042 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.894 -4.818 -2.450 1.00 10.22 H new ATOM 574 N VAL A 33 5.529 -3.600 -3.074 1.00 12.13 N ATOM 575 CA VAL A 33 4.284 -3.347 -2.368 1.00 24.23 C ATOM 576 C VAL A 33 3.107 -3.729 -3.266 1.00 4.32 C ATOM 577 O VAL A 33 3.251 -3.809 -4.485 1.00 1.31 O ATOM 578 CB VAL A 33 4.233 -1.890 -1.903 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.609 -1.417 -1.426 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.694 -0.980 -3.008 1.00 4.04 C ATOM 0 H VAL A 33 5.497 -3.409 -4.076 1.00 12.13 H new ATOM 0 HA VAL A 33 4.222 -3.963 -1.471 1.00 24.23 H new ATOM 0 HB VAL A 33 3.547 -1.833 -1.058 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.544 -0.379 -1.101 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.939 -2.038 -0.593 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.325 -1.497 -2.244 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.668 0.050 -2.651 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.343 -1.045 -3.882 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.687 -1.295 -3.280 1.00 4.04 H new ATOM 590 N ILE A 34 1.967 -3.955 -2.629 1.00 53.34 N ATOM 591 CA ILE A 34 0.765 -4.327 -3.355 1.00 0.30 C ATOM 592 C ILE A 34 -0.427 -3.549 -2.793 1.00 63.12 C ATOM 593 O ILE A 34 -1.027 -3.958 -1.800 1.00 30.23 O ATOM 594 CB ILE A 34 0.573 -5.845 -3.334 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.629 -6.542 -4.195 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.849 -6.224 -3.750 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.141 -6.702 -5.636 1.00 42.24 C ATOM 0 H ILE A 34 1.851 -3.888 -1.618 1.00 53.34 H new ATOM 0 HA ILE A 34 0.857 -4.055 -4.407 1.00 0.30 H new ATOM 0 HB ILE A 34 0.711 -6.193 -2.310 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.553 -5.964 -4.182 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.859 -7.521 -3.774 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.958 -7.308 -3.726 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.562 -5.772 -3.061 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.041 -5.862 -4.760 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.910 -7.200 -6.227 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.230 -7.300 -5.647 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.935 -5.720 -6.062 1.00 42.24 H new ATOM 609 N ILE A 35 -0.733 -2.442 -3.453 1.00 13.32 N ATOM 610 CA ILE A 35 -1.843 -1.603 -3.031 1.00 43.02 C ATOM 611 C ILE A 35 -3.126 -2.080 -3.715 1.00 62.52 C ATOM 612 O ILE A 35 -3.167 -2.223 -4.936 1.00 31.22 O ATOM 613 CB ILE A 35 -1.525 -0.127 -3.282 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.270 0.300 -2.516 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.728 0.757 -2.950 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.495 1.383 -3.280 1.00 12.23 C ATOM 0 H ILE A 35 -0.233 -2.106 -4.276 1.00 13.32 H new ATOM 0 HA ILE A 35 -2.001 -1.693 -1.956 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.315 0.002 -4.344 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.550 0.673 -1.531 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.376 -0.564 -2.358 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.475 1.801 -3.137 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.574 0.471 -3.575 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.994 0.631 -1.900 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.382 1.669 -2.715 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.794 0.998 -4.255 1.00 12.23 H new ATOM 0 HD13 ILE A 35 -0.146 2.254 -3.415 1.00 12.23 H new ATOM 628 N GLU A 36 -4.142 -2.312 -2.898 1.00 14.05 N ATOM 629 CA GLU A 36 -5.424 -2.770 -3.409 1.00 10.15 C ATOM 630 C GLU A 36 -6.556 -1.903 -2.856 1.00 32.02 C ATOM 631 O GLU A 36 -6.434 -1.332 -1.773 1.00 33.43 O ATOM 632 CB GLU A 36 -5.651 -4.245 -3.076 1.00 14.40 C ATOM 633 CG GLU A 36 -4.984 -5.150 -4.115 1.00 64.41 C ATOM 634 CD GLU A 36 -5.698 -6.501 -4.204 1.00 73.35 C ATOM 635 OE1 GLU A 36 -6.663 -6.643 -4.970 1.00 11.42 O ATOM 636 OE2 GLU A 36 -5.217 -7.424 -3.443 1.00 2.44 O ATOM 0 H GLU A 36 -4.105 -2.192 -1.886 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.416 -2.673 -4.495 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.250 -4.464 -2.086 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.720 -4.453 -3.040 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.998 -4.662 -5.090 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.938 -5.304 -3.850 1.00 64.41 H new ATOM 644 N ARG A 37 -7.633 -1.830 -3.624 1.00 33.23 N ATOM 645 CA ARG A 37 -8.787 -1.042 -3.224 1.00 73.24 C ATOM 646 C ARG A 37 -9.421 -1.631 -1.963 1.00 64.52 C ATOM 647 O ARG A 37 -9.582 -2.846 -1.854 1.00 12.04 O ATOM 648 CB ARG A 37 -9.834 -0.994 -4.339 1.00 51.13 C ATOM 649 CG ARG A 37 -10.586 -2.322 -4.441 1.00 1.41 C ATOM 650 CD ARG A 37 -11.384 -2.401 -5.745 1.00 24.11 C ATOM 651 NE ARG A 37 -11.955 -3.756 -5.908 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.349 -4.274 -7.090 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.238 -3.553 -8.225 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.845 -5.498 -7.120 1.00 44.03 N ATOM 0 H ARG A 37 -7.731 -2.304 -4.522 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.442 -0.028 -3.021 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.540 -0.186 -4.146 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.349 -0.773 -5.290 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.878 -3.150 -4.393 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.260 -2.429 -3.591 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -12.183 -1.659 -5.738 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.738 -2.165 -6.591 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.057 -4.335 -5.075 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.854 -2.609 -8.194 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.538 -3.952 -9.114 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.926 -6.037 -6.258 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.147 -5.904 -8.005 1.00 44.03 H new ATOM 667 N TYR A 38 -9.763 -0.743 -1.041 1.00 2.33 N ATOM 668 CA TYR A 38 -10.376 -1.160 0.208 1.00 20.32 C ATOM 669 C TYR A 38 -11.692 -1.898 -0.046 1.00 54.11 C ATOM 670 O TYR A 38 -12.390 -1.614 -1.018 1.00 13.01 O ATOM 671 CB TYR A 38 -10.668 0.126 0.985 1.00 12.43 C ATOM 672 CG TYR A 38 -11.697 -0.044 2.104 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.041 0.128 1.838 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.282 -0.368 3.379 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.009 -0.031 2.892 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.251 -0.527 4.433 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.566 -0.351 4.138 1.00 23.24 C ATOM 678 OH TYR A 38 -14.481 -0.501 5.132 1.00 23.44 O ATOM 0 H TYR A 38 -9.627 0.264 -1.134 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.716 -1.836 0.752 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.738 0.498 1.414 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.025 0.886 0.289 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.366 0.382 0.840 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.231 -0.502 3.587 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.063 0.101 2.698 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -11.939 -0.780 5.436 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.022 -0.730 5.967 1.00 23.44 H new ATOM 688 N LYS A 39 -11.991 -2.833 0.845 1.00 73.55 N ATOM 689 CA LYS A 39 -13.211 -3.614 0.730 1.00 43.43 C ATOM 690 C LYS A 39 -14.415 -2.715 1.015 1.00 21.11 C ATOM 691 O LYS A 39 -14.811 -2.549 2.168 1.00 3.42 O ATOM 692 CB LYS A 39 -13.140 -4.852 1.626 1.00 73.41 C ATOM 693 CG LYS A 39 -12.748 -4.473 3.055 1.00 61.13 C ATOM 694 CD LYS A 39 -13.211 -5.539 4.051 1.00 10.22 C ATOM 695 CE LYS A 39 -12.085 -6.528 4.358 1.00 52.01 C ATOM 696 NZ LYS A 39 -11.308 -6.082 5.534 1.00 32.44 N ATOM 0 H LYS A 39 -11.409 -3.067 1.649 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.329 -3.991 -0.286 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -14.106 -5.357 1.632 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.414 -5.557 1.221 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.666 -4.355 3.120 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -13.190 -3.511 3.314 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -13.542 -5.061 4.973 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -14.069 -6.074 3.644 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -12.503 -7.517 4.545 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.427 -6.619 3.494 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -10.548 -6.765 5.728 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -10.893 -5.148 5.342 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -11.935 -6.019 6.361 1.00 32.44 H new ATOM 709 N GLY A 40 -14.965 -2.159 -0.054 1.00 74.45 N ATOM 710 CA GLY A 40 -16.117 -1.281 0.068 1.00 3.24 C ATOM 711 C GLY A 40 -15.753 0.157 -0.306 1.00 12.21 C ATOM 712 O GLY A 40 -16.440 1.098 0.087 1.00 40.33 O ATOM 0 H GLY A 40 -14.635 -2.299 -1.009 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.920 -1.636 -0.578 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.494 -1.310 1.090 1.00 3.24 H new ATOM 716 N GLU A 41 -14.672 0.283 -1.063 1.00 33.32 N ATOM 717 CA GLU A 41 -14.208 1.590 -1.494 1.00 32.55 C ATOM 718 C GLU A 41 -14.443 1.767 -2.996 1.00 20.11 C ATOM 719 O GLU A 41 -13.797 1.112 -3.811 1.00 31.05 O ATOM 720 CB GLU A 41 -12.733 1.791 -1.144 1.00 62.14 C ATOM 721 CG GLU A 41 -12.127 2.939 -1.955 1.00 52.41 C ATOM 722 CD GLU A 41 -11.455 2.416 -3.226 1.00 41.41 C ATOM 723 OE1 GLU A 41 -10.398 1.771 -3.147 1.00 62.12 O ATOM 724 OE2 GLU A 41 -12.068 2.699 -4.325 1.00 34.32 O ATOM 0 H GLU A 41 -14.104 -0.500 -1.389 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.781 2.351 -0.963 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.634 2.002 -0.079 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.181 0.872 -1.340 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.906 3.654 -2.219 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.397 3.473 -1.347 1.00 52.41 H new ATOM 732 N LYS A 42 -15.371 2.658 -3.316 1.00 64.40 N ATOM 733 CA LYS A 42 -15.699 2.930 -4.704 1.00 2.11 C ATOM 734 C LYS A 42 -15.252 4.349 -5.062 1.00 14.01 C ATOM 735 O LYS A 42 -14.892 4.620 -6.206 1.00 33.23 O ATOM 736 CB LYS A 42 -17.185 2.669 -4.965 1.00 13.31 C ATOM 737 CG LYS A 42 -18.043 3.828 -4.451 1.00 45.50 C ATOM 738 CD LYS A 42 -18.183 3.774 -2.929 1.00 43.25 C ATOM 739 CE LYS A 42 -19.566 4.259 -2.488 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.609 5.738 -2.450 1.00 23.20 N ATOM 0 H LYS A 42 -15.905 3.200 -2.637 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.159 2.250 -5.363 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.352 2.534 -6.034 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.487 1.743 -4.476 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.593 4.776 -4.745 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -19.030 3.787 -4.912 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.024 2.753 -2.582 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.413 4.392 -2.467 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.325 3.885 -3.175 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.802 3.857 -1.503 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.554 6.050 -2.149 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.898 6.089 -1.777 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.405 6.116 -3.397 1.00 23.20 H new ATOM 753 N GLN A 43 -15.290 5.216 -4.061 1.00 63.45 N ATOM 754 CA GLN A 43 -14.892 6.600 -4.256 1.00 43.21 C ATOM 755 C GLN A 43 -13.624 6.674 -5.107 1.00 65.15 C ATOM 756 O GLN A 43 -13.694 6.904 -6.313 1.00 23.23 O ATOM 757 CB GLN A 43 -14.693 7.306 -2.913 1.00 65.43 C ATOM 758 CG GLN A 43 -15.977 8.009 -2.467 1.00 61.32 C ATOM 759 CD GLN A 43 -16.161 9.336 -3.205 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.264 10.159 -3.290 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.370 9.498 -3.734 1.00 61.50 N ATOM 0 H GLN A 43 -15.590 4.987 -3.113 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.692 7.116 -4.787 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.391 6.580 -2.158 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -13.886 8.034 -2.997 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.834 7.362 -2.655 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -15.943 8.188 -1.392 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -18.076 8.769 -3.626 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.592 10.351 -4.248 1.00 61.50 H new ATOM 770 N LEU A 44 -12.493 6.473 -4.447 1.00 70.13 N ATOM 771 CA LEU A 44 -11.210 6.514 -5.129 1.00 74.32 C ATOM 772 C LEU A 44 -11.221 5.512 -6.286 1.00 11.20 C ATOM 773 O LEU A 44 -11.797 4.432 -6.172 1.00 43.35 O ATOM 774 CB LEU A 44 -10.067 6.294 -4.135 1.00 23.41 C ATOM 775 CG LEU A 44 -9.743 7.472 -3.215 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.121 6.988 -1.903 1.00 50.33 C ATOM 777 CD2 LEU A 44 -8.856 8.495 -3.927 1.00 10.25 C ATOM 0 H LEU A 44 -12.438 6.281 -3.447 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.039 7.500 -5.562 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.312 5.431 -3.515 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.168 6.039 -4.696 1.00 23.41 H new ATOM 0 HG LEU A 44 -10.676 7.975 -2.962 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.900 7.845 -1.267 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -9.820 6.327 -1.391 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -8.199 6.447 -2.115 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -8.640 9.322 -3.251 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -7.922 8.020 -4.228 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.372 8.873 -4.810 1.00 10.25 H new ATOM 789 N PRO A 45 -10.559 5.919 -7.403 1.00 31.11 N ATOM 790 CA PRO A 45 -10.487 5.069 -8.579 1.00 72.02 C ATOM 791 C PRO A 45 -9.497 3.922 -8.368 1.00 4.31 C ATOM 792 O PRO A 45 -8.716 3.939 -7.418 1.00 31.03 O ATOM 793 CB PRO A 45 -10.085 6.000 -9.712 1.00 14.10 C ATOM 794 CG PRO A 45 -9.496 7.234 -9.048 1.00 24.31 C ATOM 795 CD PRO A 45 -9.865 7.191 -7.574 1.00 12.34 C ATOM 0 HA PRO A 45 -11.434 4.577 -8.801 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.356 5.524 -10.369 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.946 6.261 -10.327 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.413 7.253 -9.170 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.885 8.140 -9.513 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.979 7.247 -6.942 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.504 8.031 -7.301 1.00 12.34 H new ATOM 803 N VAL A 46 -9.563 2.953 -9.269 1.00 55.41 N ATOM 804 CA VAL A 46 -8.683 1.799 -9.192 1.00 62.40 C ATOM 805 C VAL A 46 -7.276 2.206 -9.637 1.00 24.11 C ATOM 806 O VAL A 46 -7.075 2.604 -10.782 1.00 23.43 O ATOM 807 CB VAL A 46 -9.259 0.645 -10.016 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.345 -0.580 -9.957 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.675 0.296 -9.555 1.00 2.32 C ATOM 0 H VAL A 46 -10.212 2.943 -10.056 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.610 1.443 -8.165 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.316 0.970 -11.055 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.777 -1.385 -10.551 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.364 -0.322 -10.356 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.241 -0.907 -8.922 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.061 -0.527 -10.157 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.654 -0.000 -8.506 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.321 1.166 -9.673 1.00 2.32 H new ATOM 819 N LEU A 47 -6.340 2.093 -8.705 1.00 70.21 N ATOM 820 CA LEU A 47 -4.958 2.445 -8.986 1.00 52.54 C ATOM 821 C LEU A 47 -4.589 1.959 -10.389 1.00 0.41 C ATOM 822 O LEU A 47 -5.080 0.927 -10.843 1.00 44.05 O ATOM 823 CB LEU A 47 -4.036 1.912 -7.888 1.00 21.34 C ATOM 824 CG LEU A 47 -2.933 2.863 -7.420 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.179 3.457 -8.611 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.497 3.947 -6.500 1.00 2.31 C ATOM 0 H LEU A 47 -6.512 1.763 -7.755 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.831 3.528 -8.979 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.647 1.644 -7.026 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.570 0.994 -8.246 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.213 2.289 -6.837 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.401 4.129 -8.250 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.725 2.654 -9.191 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.874 4.012 -9.242 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.692 4.609 -6.182 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.251 4.524 -7.036 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -3.951 3.482 -5.625 1.00 2.31 H new ATOM 838 N ASP A 48 -3.724 2.726 -11.038 1.00 34.23 N ATOM 839 CA ASP A 48 -3.283 2.388 -12.380 1.00 65.12 C ATOM 840 C ASP A 48 -2.781 0.941 -12.397 1.00 61.25 C ATOM 841 O ASP A 48 -3.126 0.172 -13.293 1.00 1.55 O ATOM 842 CB ASP A 48 -2.133 3.292 -12.826 1.00 32.20 C ATOM 843 CG ASP A 48 -1.917 3.365 -14.340 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.007 2.352 -15.047 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.643 4.541 -14.794 1.00 33.14 O ATOM 0 H ASP A 48 -3.317 3.581 -10.658 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.128 2.520 -13.056 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.316 4.299 -12.451 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.213 2.941 -12.359 1.00 32.20 H new ATOM 851 N LYS A 49 -1.976 0.616 -11.397 1.00 34.30 N ATOM 852 CA LYS A 49 -1.424 -0.723 -11.285 1.00 13.11 C ATOM 853 C LYS A 49 -1.518 -1.189 -9.832 1.00 55.44 C ATOM 854 O LYS A 49 -1.933 -0.430 -8.957 1.00 64.03 O ATOM 855 CB LYS A 49 -0.005 -0.767 -11.855 1.00 53.23 C ATOM 856 CG LYS A 49 0.033 -0.204 -13.277 1.00 52.12 C ATOM 857 CD LYS A 49 0.719 1.165 -13.308 1.00 15.23 C ATOM 858 CE LYS A 49 1.986 1.123 -14.164 1.00 51.44 C ATOM 859 NZ LYS A 49 1.640 1.128 -15.603 1.00 4.25 N ATOM 0 H LYS A 49 -1.692 1.257 -10.656 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.005 -1.425 -11.883 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.666 -0.193 -11.215 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.358 -1.795 -11.857 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.564 -0.895 -13.931 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -0.982 -0.115 -13.664 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.032 1.911 -13.706 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.971 1.473 -12.293 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.617 1.981 -13.933 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.563 0.230 -13.926 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.512 1.099 -16.170 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 1.057 0.296 -15.823 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.108 1.993 -15.829 1.00 4.25 H new ATOM 872 N THR A 50 -1.126 -2.437 -9.617 1.00 62.40 N ATOM 873 CA THR A 50 -1.161 -3.014 -8.284 1.00 12.42 C ATOM 874 C THR A 50 0.259 -3.179 -7.738 1.00 13.32 C ATOM 875 O THR A 50 0.464 -3.186 -6.524 1.00 13.53 O ATOM 876 CB THR A 50 -1.940 -4.328 -8.358 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.053 -4.026 -9.194 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.572 -4.711 -7.019 1.00 4.14 C ATOM 0 H THR A 50 -0.783 -3.064 -10.344 1.00 62.40 H new ATOM 0 HA THR A 50 -1.672 -2.356 -7.581 1.00 12.42 H new ATOM 0 HB THR A 50 -1.274 -5.126 -8.686 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.611 -4.825 -9.297 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.113 -5.651 -7.128 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.791 -4.826 -6.268 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.264 -3.929 -6.706 1.00 4.14 H new ATOM 886 N LYS A 51 1.202 -3.308 -8.658 1.00 63.11 N ATOM 887 CA LYS A 51 2.596 -3.472 -8.285 1.00 2.24 C ATOM 888 C LYS A 51 3.304 -2.119 -8.366 1.00 2.53 C ATOM 889 O LYS A 51 3.170 -1.402 -9.357 1.00 22.21 O ATOM 890 CB LYS A 51 3.254 -4.563 -9.132 1.00 62.34 C ATOM 891 CG LYS A 51 2.461 -5.870 -9.056 1.00 12.21 C ATOM 892 CD LYS A 51 3.382 -7.080 -9.222 1.00 14.34 C ATOM 893 CE LYS A 51 3.319 -7.625 -10.650 1.00 70.11 C ATOM 894 NZ LYS A 51 1.913 -7.849 -11.057 1.00 74.50 N ATOM 0 H LYS A 51 1.028 -3.302 -9.663 1.00 63.11 H new ATOM 0 HA LYS A 51 2.676 -3.812 -7.253 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.320 -4.233 -10.169 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.274 -4.732 -8.786 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.944 -5.931 -8.098 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.696 -5.881 -9.833 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.407 -6.797 -8.982 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.093 -7.860 -8.518 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.795 -6.923 -11.335 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.876 -8.560 -10.714 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.859 -8.687 -11.671 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.327 -8.001 -10.211 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.565 -7.017 -11.575 1.00 74.50 H new ATOM 907 N PHE A 52 4.044 -1.809 -7.311 1.00 55.52 N ATOM 908 CA PHE A 52 4.774 -0.554 -7.251 1.00 12.53 C ATOM 909 C PHE A 52 6.161 -0.755 -6.637 1.00 23.41 C ATOM 910 O PHE A 52 6.309 -1.482 -5.656 1.00 20.35 O ATOM 911 CB PHE A 52 3.966 0.391 -6.360 1.00 64.54 C ATOM 912 CG PHE A 52 2.556 0.681 -6.877 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.591 -0.274 -6.794 1.00 55.41 C ATOM 914 CD2 PHE A 52 2.267 1.894 -7.420 1.00 50.44 C ATOM 915 CE1 PHE A 52 0.282 -0.004 -7.275 1.00 50.35 C ATOM 916 CE2 PHE A 52 0.958 2.164 -7.900 1.00 5.33 C ATOM 917 CZ PHE A 52 -0.007 1.209 -7.818 1.00 13.42 C ATOM 0 H PHE A 52 4.154 -2.406 -6.491 1.00 55.52 H new ATOM 0 HA PHE A 52 4.906 -0.152 -8.255 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.894 -0.041 -5.362 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.507 1.332 -6.262 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.820 -1.237 -6.363 1.00 55.41 H new ATOM 0 HD2 PHE A 52 3.033 2.652 -7.486 1.00 50.44 H new ATOM 0 HE1 PHE A 52 -0.484 -0.762 -7.209 1.00 50.35 H new ATOM 0 HE2 PHE A 52 0.729 3.128 -8.330 1.00 5.33 H new ATOM 0 HZ PHE A 52 -1.002 1.414 -8.184 1.00 13.42 H new ATOM 927 N LEU A 53 7.141 -0.099 -7.239 1.00 0.05 N ATOM 928 CA LEU A 53 8.511 -0.196 -6.764 1.00 15.10 C ATOM 929 C LEU A 53 8.876 1.083 -6.008 1.00 53.33 C ATOM 930 O LEU A 53 9.120 2.122 -6.621 1.00 23.21 O ATOM 931 CB LEU A 53 9.458 -0.519 -7.921 1.00 22.22 C ATOM 932 CG LEU A 53 9.202 -1.840 -8.649 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.471 -2.338 -9.343 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.621 -2.887 -7.696 1.00 70.04 C ATOM 0 H LEU A 53 7.014 0.503 -8.053 1.00 0.05 H new ATOM 0 HA LEU A 53 8.613 -1.022 -6.060 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.400 0.291 -8.648 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.478 -0.531 -7.537 1.00 22.22 H new ATOM 0 HG LEU A 53 8.458 -1.664 -9.426 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.262 -3.278 -9.853 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.803 -1.597 -10.070 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.254 -2.494 -8.601 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.448 -3.817 -8.238 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.323 -3.067 -6.882 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.678 -2.524 -7.288 1.00 70.04 H new ATOM 946 N VAL A 54 8.902 0.967 -4.689 1.00 12.25 N ATOM 947 CA VAL A 54 9.233 2.102 -3.844 1.00 54.11 C ATOM 948 C VAL A 54 10.749 2.158 -3.645 1.00 53.14 C ATOM 949 O VAL A 54 11.398 1.124 -3.503 1.00 2.34 O ATOM 950 CB VAL A 54 8.459 2.017 -2.527 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.377 3.386 -1.850 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.064 1.428 -2.747 1.00 33.12 C ATOM 0 H VAL A 54 8.699 0.104 -4.184 1.00 12.25 H new ATOM 0 HA VAL A 54 8.933 3.035 -4.321 1.00 54.11 H new ATOM 0 HB VAL A 54 9.003 1.347 -1.861 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.822 3.297 -0.916 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.383 3.749 -1.641 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.867 4.088 -2.510 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.536 1.379 -1.795 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.507 2.060 -3.439 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.154 0.425 -3.164 1.00 33.12 H new ATOM 962 N PRO A 55 11.281 3.409 -3.640 1.00 45.33 N ATOM 963 CA PRO A 55 12.709 3.614 -3.461 1.00 0.21 C ATOM 964 C PRO A 55 13.114 3.399 -2.001 1.00 50.22 C ATOM 965 O PRO A 55 12.471 3.918 -1.091 1.00 54.10 O ATOM 966 CB PRO A 55 12.967 5.031 -3.945 1.00 72.21 C ATOM 967 CG PRO A 55 11.615 5.726 -3.942 1.00 64.33 C ATOM 968 CD PRO A 55 10.542 4.657 -3.805 1.00 22.13 C ATOM 0 HA PRO A 55 13.310 2.900 -4.023 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.672 5.545 -3.291 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.403 5.029 -4.944 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.553 6.437 -3.118 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.475 6.292 -4.863 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.897 4.851 -2.948 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.901 4.624 -4.686 1.00 22.13 H new ATOM 976 N ASP A 56 14.181 2.631 -1.824 1.00 15.23 N ATOM 977 CA ASP A 56 14.679 2.340 -0.491 1.00 24.22 C ATOM 978 C ASP A 56 15.640 3.449 -0.057 1.00 33.22 C ATOM 979 O ASP A 56 16.722 3.171 0.458 1.00 24.04 O ATOM 980 CB ASP A 56 15.444 1.015 -0.466 1.00 14.44 C ATOM 981 CG ASP A 56 16.852 1.071 -1.061 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.826 0.616 -0.440 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.930 1.614 -2.228 1.00 53.21 O ATOM 0 H ASP A 56 14.713 2.202 -2.581 1.00 15.23 H new ATOM 0 HA ASP A 56 13.824 2.276 0.182 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.515 0.673 0.567 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.865 0.268 -1.010 1.00 14.44 H new ATOM 989 N HIS A 57 15.211 4.682 -0.284 1.00 42.54 N ATOM 990 CA HIS A 57 16.021 5.834 0.077 1.00 33.12 C ATOM 991 C HIS A 57 15.109 7.005 0.449 1.00 34.15 C ATOM 992 O HIS A 57 15.539 8.158 0.441 1.00 74.42 O ATOM 993 CB HIS A 57 17.003 6.180 -1.044 1.00 42.14 C ATOM 994 CG HIS A 57 16.417 7.051 -2.128 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.055 7.157 -2.350 1.00 2.30 N ATOM 996 CD2 HIS A 57 17.020 7.858 -3.048 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.859 7.991 -3.360 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.078 8.424 -3.792 1.00 2.34 N ATOM 0 H HIS A 57 14.314 4.909 -0.713 1.00 42.54 H new ATOM 0 HA HIS A 57 16.627 5.598 0.952 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.867 6.686 -0.613 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.367 5.255 -1.492 1.00 42.14 H new ATOM 0 HD2 HIS A 57 18.084 8.010 -3.153 1.00 44.01 H new ATOM 0 HE1 HIS A 57 13.902 8.278 -3.770 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.239 9.075 -4.560 1.00 2.34 H new ATOM 1006 N VAL A 58 13.867 6.670 0.765 1.00 51.30 N ATOM 1007 CA VAL A 58 12.891 7.679 1.138 1.00 21.42 C ATOM 1008 C VAL A 58 12.086 7.184 2.341 1.00 52.34 C ATOM 1009 O VAL A 58 12.475 6.219 2.998 1.00 3.12 O ATOM 1010 CB VAL A 58 12.013 8.029 -0.066 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.857 8.573 -1.221 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.187 6.821 -0.512 1.00 52.14 C ATOM 0 H VAL A 58 13.514 5.713 0.770 1.00 51.30 H new ATOM 0 HA VAL A 58 13.390 8.600 1.438 1.00 21.42 H new ATOM 0 HB VAL A 58 11.321 8.813 0.241 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.209 8.814 -2.064 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.380 9.473 -0.897 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.584 7.821 -1.526 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.572 7.097 -1.369 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.855 6.007 -0.792 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.544 6.498 0.307 1.00 52.14 H new ATOM 1022 N ASN A 59 10.978 7.866 2.593 1.00 3.10 N ATOM 1023 CA ASN A 59 10.116 7.507 3.705 1.00 53.34 C ATOM 1024 C ASN A 59 8.748 7.082 3.168 1.00 32.55 C ATOM 1025 O ASN A 59 8.316 7.553 2.117 1.00 53.32 O ATOM 1026 CB ASN A 59 9.905 8.696 4.645 1.00 31.55 C ATOM 1027 CG ASN A 59 10.210 10.017 3.936 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.174 10.530 3.280 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.314 10.536 3.980 1.00 14.31 N flip ATOM 0 H ASN A 59 10.658 8.665 2.046 1.00 3.10 H new ATOM 0 HA ASN A 59 10.593 6.694 4.252 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.876 8.701 5.005 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.548 8.592 5.519 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.067 10.089 4.503 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.483 11.417 3.494 1.00 14.31 H new ATOM 1036 N MET A 60 8.105 6.195 3.913 1.00 53.42 N ATOM 1037 CA MET A 60 6.795 5.701 3.525 1.00 63.50 C ATOM 1038 C MET A 60 5.879 6.850 3.097 1.00 72.03 C ATOM 1039 O MET A 60 4.931 6.645 2.341 1.00 33.53 O ATOM 1040 CB MET A 60 6.161 4.954 4.700 1.00 54.13 C ATOM 1041 CG MET A 60 5.454 5.924 5.648 1.00 71.53 C ATOM 1042 SD MET A 60 3.773 6.189 5.107 1.00 50.24 S ATOM 1043 CE MET A 60 3.190 4.502 5.068 1.00 24.12 C ATOM 0 H MET A 60 8.467 5.806 4.783 1.00 53.42 H new ATOM 0 HA MET A 60 6.920 5.026 2.678 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.447 4.220 4.326 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.929 4.404 5.243 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.460 5.524 6.662 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.990 6.873 5.677 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.112 4.486 5.226 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.421 4.059 4.099 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.681 3.929 5.855 1.00 24.12 H new ATOM 1053 N SER A 61 6.196 8.034 3.599 1.00 31.15 N ATOM 1054 CA SER A 61 5.414 9.217 3.278 1.00 60.52 C ATOM 1055 C SER A 61 5.394 9.436 1.765 1.00 5.42 C ATOM 1056 O SER A 61 4.327 9.511 1.159 1.00 42.35 O ATOM 1057 CB SER A 61 5.970 10.453 3.987 1.00 24.14 C ATOM 1058 OG SER A 61 6.322 11.484 3.067 1.00 33.42 O ATOM 0 H SER A 61 6.983 8.200 4.226 1.00 31.15 H new ATOM 0 HA SER A 61 4.394 9.059 3.629 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.228 10.832 4.690 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.847 10.172 4.570 1.00 24.14 H new ATOM 0 HG SER A 61 7.284 11.446 2.886 1.00 33.42 H new ATOM 1064 N GLU A 62 6.587 9.534 1.197 1.00 43.34 N ATOM 1065 CA GLU A 62 6.721 9.743 -0.234 1.00 62.30 C ATOM 1066 C GLU A 62 5.721 8.868 -0.994 1.00 2.22 C ATOM 1067 O GLU A 62 4.995 9.357 -1.859 1.00 1.22 O ATOM 1068 CB GLU A 62 8.153 9.469 -0.697 1.00 23.32 C ATOM 1069 CG GLU A 62 9.039 10.700 -0.500 1.00 33.21 C ATOM 1070 CD GLU A 62 10.228 10.681 -1.463 1.00 21.13 C ATOM 1071 OE1 GLU A 62 10.385 9.723 -2.235 1.00 65.32 O ATOM 1072 OE2 GLU A 62 11.003 11.709 -1.392 1.00 22.24 O ATOM 0 H GLU A 62 7.470 9.472 1.703 1.00 43.34 H new ATOM 0 HA GLU A 62 6.498 10.788 -0.451 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.564 8.628 -0.139 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.150 9.183 -1.749 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.452 11.604 -0.660 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.400 10.732 0.528 1.00 33.21 H new ATOM 1080 N LEU A 63 5.717 7.591 -0.644 1.00 75.35 N ATOM 1081 CA LEU A 63 4.819 6.643 -1.282 1.00 71.31 C ATOM 1082 C LEU A 63 3.426 7.267 -1.398 1.00 34.30 C ATOM 1083 O LEU A 63 2.786 7.175 -2.445 1.00 74.31 O ATOM 1084 CB LEU A 63 4.834 5.306 -0.539 1.00 53.52 C ATOM 1085 CG LEU A 63 4.241 4.114 -1.292 1.00 3.21 C ATOM 1086 CD1 LEU A 63 4.035 2.921 -0.355 1.00 21.14 C ATOM 1087 CD2 LEU A 63 2.948 4.506 -2.011 1.00 23.34 C ATOM 0 H LEU A 63 6.321 7.190 0.073 1.00 75.35 H new ATOM 0 HA LEU A 63 5.156 6.421 -2.295 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.866 5.069 -0.279 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.289 5.427 0.397 1.00 53.52 H new ATOM 0 HG LEU A 63 4.954 3.805 -2.057 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.612 2.087 -0.915 1.00 21.14 H new ATOM 0 HD12 LEU A 63 4.993 2.623 0.071 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.353 3.202 0.447 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.548 3.640 -2.538 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.218 4.856 -1.281 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.156 5.302 -2.726 1.00 23.34 H new ATOM 1099 N ILE A 64 2.998 7.887 -0.308 1.00 23.04 N ATOM 1100 CA ILE A 64 1.693 8.524 -0.274 1.00 61.52 C ATOM 1101 C ILE A 64 1.612 9.572 -1.388 1.00 62.30 C ATOM 1102 O ILE A 64 0.590 9.690 -2.061 1.00 14.00 O ATOM 1103 CB ILE A 64 1.407 9.086 1.119 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.802 8.083 2.206 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.055 9.523 1.246 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.349 6.669 1.838 1.00 54.44 C ATOM 0 H ILE A 64 3.532 7.962 0.558 1.00 23.04 H new ATOM 0 HA ILE A 64 0.908 7.793 -0.465 1.00 61.52 H new ATOM 0 HB ILE A 64 2.022 9.975 1.261 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.883 8.098 2.344 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.355 8.376 3.156 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.231 9.919 2.246 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.269 10.295 0.507 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.707 8.666 1.075 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.642 5.976 2.627 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.265 6.652 1.725 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.817 6.370 0.900 1.00 54.44 H new ATOM 1118 N LYS A 65 2.704 10.304 -1.547 1.00 65.21 N ATOM 1119 CA LYS A 65 2.771 11.337 -2.567 1.00 4.50 C ATOM 1120 C LYS A 65 2.738 10.685 -3.950 1.00 41.42 C ATOM 1121 O LYS A 65 2.157 11.233 -4.885 1.00 64.31 O ATOM 1122 CB LYS A 65 3.987 12.237 -2.340 1.00 50.41 C ATOM 1123 CG LYS A 65 3.845 13.036 -1.042 1.00 31.50 C ATOM 1124 CD LYS A 65 5.184 13.643 -0.623 1.00 14.42 C ATOM 1125 CE LYS A 65 5.607 14.756 -1.583 1.00 43.24 C ATOM 1126 NZ LYS A 65 6.826 15.434 -1.088 1.00 21.21 N ATOM 0 H LYS A 65 3.550 10.203 -0.987 1.00 65.21 H new ATOM 0 HA LYS A 65 1.902 11.992 -2.502 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.891 11.629 -2.300 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.100 12.921 -3.181 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.109 13.828 -1.177 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.472 12.387 -0.250 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.106 14.041 0.389 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.948 12.866 -0.602 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.793 14.339 -2.573 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.799 15.480 -1.688 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 7.099 16.187 -1.752 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.637 15.849 -0.153 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 7.600 14.744 -1.010 1.00 21.21 H new ATOM 1139 N ILE A 66 3.369 9.524 -4.036 1.00 54.04 N ATOM 1140 CA ILE A 66 3.419 8.790 -5.290 1.00 32.11 C ATOM 1141 C ILE A 66 2.016 8.290 -5.641 1.00 63.23 C ATOM 1142 O ILE A 66 1.622 8.302 -6.805 1.00 3.21 O ATOM 1143 CB ILE A 66 4.468 7.679 -5.220 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.819 8.228 -4.756 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.577 6.942 -6.556 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.486 9.048 -5.862 1.00 42.45 C ATOM 0 H ILE A 66 3.850 9.073 -3.258 1.00 54.04 H new ATOM 0 HA ILE A 66 3.736 9.445 -6.101 1.00 32.11 H new ATOM 0 HB ILE A 66 4.144 6.951 -4.476 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.679 8.850 -3.872 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.471 7.404 -4.466 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.330 6.157 -6.478 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.614 6.497 -6.806 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.865 7.645 -7.337 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.444 9.427 -5.507 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.647 8.417 -6.736 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.843 9.885 -6.132 1.00 42.45 H new ATOM 1158 N ILE A 67 1.301 7.862 -4.610 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.050 7.359 -4.794 1.00 32.34 C ATOM 1160 C ILE A 67 -0.969 8.515 -5.196 1.00 73.40 C ATOM 1161 O ILE A 67 -1.441 8.572 -6.331 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.516 6.609 -3.545 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.227 5.279 -3.396 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.035 6.418 -3.556 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.196 4.289 -4.483 1.00 74.11 C ATOM 0 H ILE A 67 1.632 7.853 -3.645 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.079 6.631 -5.605 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.273 7.214 -2.672 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.302 5.451 -3.454 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.025 4.854 -2.413 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.341 5.882 -2.657 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.524 7.392 -3.582 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.323 5.844 -4.437 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.347 3.353 -4.354 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.267 4.101 -4.407 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.030 4.707 -5.464 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.197 9.407 -4.243 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.051 10.557 -4.484 1.00 13.42 C ATOM 1179 C ARG A 68 -1.793 11.128 -5.880 1.00 51.22 C ATOM 1180 O ARG A 68 -2.689 11.707 -6.493 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.809 11.651 -3.441 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.497 12.388 -3.714 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.272 13.504 -2.691 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.848 14.772 -3.191 1.00 63.13 N ATOM 1185 CZ ARG A 68 -2.122 15.163 -2.971 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -2.964 14.385 -2.258 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.532 16.316 -3.465 1.00 64.55 N ATOM 0 H ARG A 68 -0.805 9.356 -3.303 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.086 10.222 -4.410 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.637 12.359 -3.453 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.782 11.209 -2.445 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.334 11.684 -3.678 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.515 12.809 -4.719 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.733 13.236 -1.740 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.795 13.628 -2.504 1.00 24.23 H new ATOM 0 HE ARG A 68 -0.246 15.389 -3.736 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -2.640 13.495 -1.881 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -3.925 14.688 -2.096 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -1.890 16.897 -4.004 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -3.491 16.626 -3.308 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.566 10.944 -6.342 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.178 11.434 -7.654 1.00 45.24 C ATOM 1202 C ARG A 69 -0.873 10.621 -8.750 1.00 0.14 C ATOM 1203 O ARG A 69 -1.468 11.189 -9.664 1.00 4.20 O ATOM 1204 CB ARG A 69 1.337 11.347 -7.849 1.00 70.32 C ATOM 1205 CG ARG A 69 2.034 12.584 -7.278 1.00 44.21 C ATOM 1206 CD ARG A 69 1.982 13.749 -8.269 1.00 0.22 C ATOM 1207 NE ARG A 69 0.688 14.456 -8.151 1.00 10.40 N ATOM 1208 CZ ARG A 69 0.197 15.297 -9.087 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.889 15.542 -10.219 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -0.971 15.876 -8.877 1.00 11.44 N ATOM 0 H ARG A 69 0.174 10.462 -5.831 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.482 12.479 -7.721 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.720 10.451 -7.360 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.566 11.253 -8.911 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.556 12.876 -6.343 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.072 12.346 -7.045 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.802 14.440 -8.074 1.00 0.22 H new ATOM 0 HD3 ARG A 69 2.112 13.378 -9.286 1.00 0.22 H new ATOM 0 HE ARG A 69 0.132 14.299 -7.311 1.00 10.40 H new ATOM 0 HH11 ARG A 69 1.791 15.091 -10.373 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.511 16.179 -10.920 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.488 15.685 -8.018 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -1.357 16.514 -9.573 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.774 9.306 -8.619 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.386 8.411 -9.586 1.00 12.55 C ATOM 1225 C ARG A 70 -2.893 8.665 -9.666 1.00 23.22 C ATOM 1226 O ARG A 70 -3.488 8.562 -10.737 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.141 6.948 -9.214 1.00 25.13 C ATOM 1228 CG ARG A 70 0.090 6.397 -9.936 1.00 50.40 C ATOM 1229 CD ARG A 70 1.297 6.345 -8.999 1.00 24.25 C ATOM 1230 NE ARG A 70 2.379 5.540 -9.610 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.107 5.935 -10.676 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.875 7.131 -11.259 1.00 51.00 N ATOM 1233 NH2 ARG A 70 4.049 5.135 -11.141 1.00 40.12 N ATOM 0 H ARG A 70 -0.280 8.839 -7.859 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.929 8.609 -10.556 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.004 6.861 -8.136 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -2.016 6.352 -9.473 1.00 25.13 H new ATOM 0 HG2 ARG A 70 -0.124 5.398 -10.316 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.321 7.023 -10.798 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.654 7.355 -8.796 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.006 5.912 -8.042 1.00 24.25 H new ATOM 0 HE ARG A 70 2.587 4.630 -9.200 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.145 7.743 -10.894 1.00 51.00 H new ATOM 0 HH12 ARG A 70 3.430 7.422 -12.064 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.218 4.233 -10.695 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.608 5.419 -11.946 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.467 8.991 -8.518 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.893 9.261 -8.444 1.00 61.25 C ATOM 1248 C LEU A 71 -5.159 10.704 -8.875 1.00 45.53 C ATOM 1249 O LEU A 71 -6.293 11.065 -9.185 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.430 8.927 -7.050 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.243 7.480 -6.589 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.049 7.408 -5.073 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.404 6.601 -7.060 1.00 31.15 C ATOM 0 H LEU A 71 -2.971 9.074 -7.631 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.438 8.617 -9.134 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.944 9.583 -6.328 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.494 9.160 -7.027 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.335 7.090 -7.049 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.918 6.369 -4.772 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.166 7.981 -4.792 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.925 7.823 -4.574 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.247 5.578 -6.719 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.339 6.981 -6.648 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.454 6.617 -8.149 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.093 11.491 -8.881 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.196 12.888 -9.270 1.00 2.32 C ATOM 1267 C GLN A 72 -5.495 13.493 -8.735 1.00 41.52 C ATOM 1268 O GLN A 72 -6.228 14.152 -9.472 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.104 13.043 -10.789 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.182 12.215 -11.491 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.251 12.556 -12.981 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -4.724 13.554 -13.440 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.930 11.671 -13.706 1.00 53.14 N ATOM 0 H GLN A 72 -3.154 11.188 -8.623 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.358 13.430 -8.832 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.214 14.093 -11.058 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.118 12.728 -11.131 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.969 11.153 -11.367 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.150 12.402 -11.026 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -6.347 10.856 -13.256 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -6.034 11.808 -14.711 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.742 13.248 -7.456 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.941 13.760 -6.815 1.00 53.22 C ATOM 1284 C LEU A 73 -6.728 15.229 -6.445 1.00 1.12 C ATOM 1285 O LEU A 73 -5.663 15.789 -6.700 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.331 12.878 -5.627 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.257 11.368 -5.860 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.034 10.620 -4.544 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.498 10.865 -6.601 1.00 40.04 C ATOM 0 H LEU A 73 -5.132 12.702 -6.847 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.786 13.723 -7.502 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.684 13.128 -4.786 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.349 13.131 -5.331 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.397 11.163 -6.497 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.985 9.549 -4.738 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.099 10.950 -4.092 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.859 10.828 -3.863 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.419 9.789 -6.754 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.388 11.084 -6.011 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.572 11.364 -7.567 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.759 15.812 -5.849 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.698 17.206 -5.443 1.00 74.20 C ATOM 1303 C ASN A 74 -7.908 17.301 -3.930 1.00 51.40 C ATOM 1304 O ASN A 74 -8.005 16.281 -3.249 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.794 18.027 -6.124 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.314 18.569 -7.473 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.150 18.879 -7.668 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.273 18.666 -8.390 1.00 1.30 N ATOM 0 H ASN A 74 -8.641 15.344 -5.638 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.723 17.598 -5.730 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.679 17.408 -6.271 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.087 18.855 -5.479 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.054 19.017 -9.322 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.228 18.389 -8.161 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.974 18.534 -3.450 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.170 18.774 -2.031 1.00 24.42 C ATOM 1317 C ALA A 75 -9.551 18.261 -1.618 1.00 44.43 C ATOM 1318 O ALA A 75 -9.720 17.742 -0.515 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.992 20.266 -1.736 1.00 14.40 C ATOM 0 H ALA A 75 -7.895 19.377 -4.019 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.427 18.234 -1.444 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -8.139 20.446 -0.671 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.987 20.576 -2.021 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.723 20.839 -2.306 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.504 18.422 -2.525 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.864 17.981 -2.269 1.00 24.12 C ATOM 1327 C ASN A 76 -11.872 16.468 -2.046 1.00 74.34 C ATOM 1328 O ASN A 76 -12.592 15.967 -1.184 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.777 18.289 -3.458 1.00 13.50 C ATOM 1330 CG ASN A 76 -14.248 18.123 -3.077 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.832 18.939 -2.383 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -14.814 17.025 -3.570 1.00 33.55 N ATOM 0 H ASN A 76 -10.360 18.852 -3.439 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.229 18.509 -1.388 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.600 19.308 -3.803 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.536 17.625 -4.288 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -15.795 16.825 -3.374 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -14.267 16.383 -4.144 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.062 15.781 -2.839 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.966 14.335 -2.739 1.00 23.14 C ATOM 1341 C GLN A 77 -9.925 13.943 -1.689 1.00 75.30 C ATOM 1342 O GLN A 77 -8.749 14.278 -1.821 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.636 13.713 -4.098 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.265 12.237 -3.949 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.489 11.396 -3.579 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.343 11.104 -4.399 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.526 11.028 -2.302 1.00 2.12 N ATOM 0 H GLN A 77 -10.466 16.200 -3.553 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.934 13.947 -2.424 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.493 13.811 -4.765 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.810 14.255 -4.559 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.837 11.871 -4.882 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.499 12.127 -3.182 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.777 11.307 -1.669 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.304 10.466 -1.955 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.395 13.237 -0.671 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.519 12.796 0.401 1.00 43.41 C ATOM 1358 C ALA A 78 -8.967 11.410 0.065 1.00 61.31 C ATOM 1359 O ALA A 78 -9.684 10.566 -0.471 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.284 12.813 1.725 1.00 61.34 C ATOM 0 H ALA A 78 -11.371 12.960 -0.566 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.671 13.472 0.506 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.627 12.482 2.529 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.630 13.826 1.932 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.141 12.143 1.658 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.698 11.217 0.392 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.041 9.948 0.132 1.00 50.43 C ATOM 1368 C PHE A 79 -6.104 9.569 1.279 1.00 43.02 C ATOM 1369 O PHE A 79 -5.340 10.403 1.763 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.218 10.124 -1.147 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.932 9.295 -1.178 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -5.000 7.937 -1.207 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.722 9.916 -1.177 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.806 7.167 -1.236 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.530 9.147 -1.205 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.597 7.789 -1.235 1.00 20.55 C ATOM 0 H PHE A 79 -7.106 11.920 0.836 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.785 9.158 0.032 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.834 9.852 -2.004 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.962 11.177 -1.260 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.961 7.444 -1.208 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.669 10.994 -1.155 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.859 6.089 -1.259 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.569 9.640 -1.202 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.689 7.204 -1.258 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.193 8.310 1.684 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.362 7.811 2.766 1.00 53.43 C ATOM 1388 C PHE A 80 -4.926 6.369 2.501 1.00 1.31 C ATOM 1389 O PHE A 80 -5.754 5.510 2.201 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.214 7.849 4.037 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.217 9.205 4.743 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.059 9.717 5.238 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.379 9.900 4.876 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.062 10.977 5.894 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.382 11.160 5.532 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.224 11.672 6.026 1.00 53.22 C ATOM 0 H PHE A 80 -6.828 7.621 1.282 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.464 8.422 2.859 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.239 7.581 3.783 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.849 7.091 4.730 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.136 9.166 5.132 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.299 9.494 4.483 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.142 11.383 6.288 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.305 11.711 5.638 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.226 12.631 6.523 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.624 6.146 2.622 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.068 4.822 2.400 1.00 10.45 C ATOM 1408 C LEU A 81 -2.952 4.092 3.739 1.00 41.41 C ATOM 1409 O LEU A 81 -2.238 4.540 4.635 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.747 4.919 1.635 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.217 3.611 1.045 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.340 2.585 0.888 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.481 3.862 -0.273 1.00 32.24 C ATOM 0 H LEU A 81 -2.939 6.860 2.871 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.732 4.229 1.771 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.871 5.636 0.824 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.990 5.325 2.306 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.493 3.191 1.743 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.936 1.665 0.467 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.780 2.375 1.863 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.106 2.983 0.222 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.114 2.916 -0.671 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.164 4.317 -0.990 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.361 4.532 -0.098 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.664 2.978 3.833 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.649 2.181 5.048 1.00 2.41 C ATOM 1427 C LEU A 82 -2.617 1.061 4.905 1.00 23.30 C ATOM 1428 O LEU A 82 -2.752 0.195 4.041 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.056 1.682 5.378 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.106 2.763 5.645 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.868 3.437 6.997 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.152 3.776 4.499 1.00 2.33 C ATOM 0 H LEU A 82 -4.255 2.609 3.088 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.344 2.789 5.899 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.403 1.062 4.551 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.995 1.038 6.255 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.085 2.285 5.692 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.628 4.201 7.162 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.925 2.692 7.790 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.881 3.900 7.004 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.906 4.534 4.713 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.177 4.253 4.396 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.405 3.264 3.571 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.610 1.113 5.764 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.556 0.113 5.744 1.00 54.23 C ATOM 1446 C VAL A 83 -0.982 -1.086 6.593 1.00 0.12 C ATOM 1447 O VAL A 83 -1.092 -0.980 7.813 1.00 11.13 O ATOM 1448 CB VAL A 83 0.763 0.734 6.206 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.684 -0.324 6.816 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.456 1.467 5.056 1.00 25.30 C ATOM 0 H VAL A 83 -1.501 1.832 6.479 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.391 -0.249 4.729 1.00 54.23 H new ATOM 0 HB VAL A 83 0.535 1.466 6.981 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.615 0.145 7.136 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.194 -0.781 7.675 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.901 -1.090 6.072 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.391 1.899 5.411 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.664 0.764 4.250 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.807 2.261 4.687 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.207 -2.202 5.913 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.617 -3.420 6.590 1.00 22.42 C ATOM 1462 C ASN A 84 -3.040 -3.247 7.125 1.00 41.23 C ATOM 1463 O ASN A 84 -3.513 -4.063 7.914 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.700 -3.728 7.775 1.00 70.52 C ATOM 1465 CG ASN A 84 0.101 -5.008 7.531 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.393 -4.903 7.830 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.419 -6.023 7.100 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.113 -2.287 4.901 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.564 -4.238 5.872 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.018 -2.894 7.938 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.295 -3.835 8.682 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.417 -6.035 6.891 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.144 -6.860 6.949 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.682 -2.180 6.674 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.041 -1.889 7.097 1.00 4.21 C ATOM 1476 C GLY A 85 -5.061 -0.794 8.165 1.00 61.15 C ATOM 1477 O GLY A 85 -6.109 -0.494 8.734 1.00 20.01 O ATOM 0 H GLY A 85 -3.286 -1.506 6.019 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.633 -1.575 6.238 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.505 -2.794 7.490 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.888 -0.226 8.406 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.756 0.829 9.396 1.00 11.12 C ATOM 1483 C HIS A 86 -3.065 2.041 8.766 1.00 50.33 C ATOM 1484 O HIS A 86 -2.017 1.904 8.137 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.035 0.317 10.644 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.736 -0.395 10.353 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.565 0.276 10.047 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.435 -1.725 10.326 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.390 -0.620 9.845 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.151 -1.859 10.018 1.00 4.14 N ATOM 0 H HIS A 86 -3.020 -0.477 7.932 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.745 1.149 9.725 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.836 1.159 11.307 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.697 -0.362 11.181 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -2.125 -2.533 10.522 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.417 -0.406 9.588 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.349 -2.743 9.926 1.00 4.14 H new ATOM 1498 N SER A 87 -3.680 3.199 8.957 1.00 21.12 N ATOM 1499 CA SER A 87 -3.137 4.433 8.417 1.00 35.33 C ATOM 1500 C SER A 87 -1.715 4.651 8.937 1.00 12.03 C ATOM 1501 O SER A 87 -1.249 3.918 9.809 1.00 44.20 O ATOM 1502 CB SER A 87 -4.022 5.628 8.775 1.00 21.01 C ATOM 1503 OG SER A 87 -4.791 5.390 9.951 1.00 72.54 O ATOM 0 H SER A 87 -4.550 3.308 9.479 1.00 21.12 H new ATOM 0 HA SER A 87 -3.111 4.348 7.331 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.398 6.510 8.922 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.691 5.846 7.942 1.00 21.01 H new ATOM 0 HG SER A 87 -4.815 6.204 10.496 1.00 72.54 H new ATOM 1509 N MET A 88 -1.063 5.662 8.381 1.00 23.44 N ATOM 1510 CA MET A 88 0.296 5.987 8.778 1.00 70.11 C ATOM 1511 C MET A 88 0.384 7.415 9.320 1.00 34.21 C ATOM 1512 O MET A 88 1.322 8.145 9.006 1.00 30.24 O ATOM 1513 CB MET A 88 1.229 5.839 7.574 1.00 23.21 C ATOM 1514 CG MET A 88 0.548 6.321 6.291 1.00 12.04 C ATOM 1515 SD MET A 88 0.208 8.069 6.400 1.00 73.31 S ATOM 1516 CE MET A 88 -1.561 8.056 6.168 1.00 51.33 C ATOM 0 H MET A 88 -1.452 6.267 7.658 1.00 23.44 H new ATOM 0 HA MET A 88 0.597 5.300 9.569 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.141 6.412 7.743 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.524 4.795 7.464 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.188 6.120 5.432 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.380 5.771 6.133 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.870 8.977 5.673 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.841 7.201 5.552 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.055 7.982 7.137 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.608 7.771 10.124 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.654 9.098 10.712 1.00 62.21 C ATOM 1528 C VAL A 89 0.757 9.516 11.130 1.00 24.13 C ATOM 1529 O VAL A 89 1.085 10.702 11.123 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.653 9.123 11.871 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.956 8.419 11.486 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.046 8.503 13.131 1.00 72.21 C ATOM 0 H VAL A 89 -1.386 7.163 10.381 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.006 9.827 9.982 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.887 10.165 12.090 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.649 8.451 12.327 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -3.402 8.923 10.629 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.746 7.381 11.228 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -1.776 8.533 13.940 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.770 7.468 12.930 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -0.159 9.065 13.422 1.00 72.21 H new ATOM 1542 N SER A 90 1.554 8.519 11.484 1.00 43.15 N ATOM 1543 CA SER A 90 2.922 8.768 11.905 1.00 5.54 C ATOM 1544 C SER A 90 3.897 8.086 10.943 1.00 40.34 C ATOM 1545 O SER A 90 4.068 6.868 10.988 1.00 35.33 O ATOM 1546 CB SER A 90 3.157 8.280 13.335 1.00 14.32 C ATOM 1547 OG SER A 90 2.702 9.221 14.303 1.00 2.52 O ATOM 0 H SER A 90 1.279 7.537 11.488 1.00 43.15 H new ATOM 0 HA SER A 90 3.095 9.844 11.886 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.642 7.331 13.483 1.00 14.32 H new ATOM 0 HB3 SER A 90 4.220 8.093 13.484 1.00 14.32 H new ATOM 0 HG SER A 90 2.869 8.871 15.203 1.00 2.52 H new ATOM 1553 N VAL A 91 4.511 8.899 10.098 1.00 73.43 N ATOM 1554 CA VAL A 91 5.466 8.389 9.127 1.00 23.12 C ATOM 1555 C VAL A 91 6.878 8.810 9.537 1.00 2.11 C ATOM 1556 O VAL A 91 7.374 9.845 9.093 1.00 34.04 O ATOM 1557 CB VAL A 91 5.085 8.859 7.722 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.361 10.206 7.772 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.316 8.931 6.815 1.00 15.53 C ATOM 0 H VAL A 91 4.367 9.908 10.064 1.00 73.43 H new ATOM 0 HA VAL A 91 5.446 7.299 9.107 1.00 23.12 H new ATOM 0 HB VAL A 91 4.399 8.126 7.298 1.00 41.51 H new ATOM 0 HG11 VAL A 91 4.101 10.517 6.760 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.452 10.109 8.366 1.00 4.23 H new ATOM 0 HG13 VAL A 91 5.013 10.953 8.225 1.00 4.23 H new ATOM 0 HG21 VAL A 91 6.017 9.268 5.822 1.00 15.53 H new ATOM 0 HG22 VAL A 91 7.037 9.633 7.235 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.772 7.944 6.741 1.00 15.53 H new ATOM 1569 N SER A 92 7.486 7.987 10.378 1.00 1.13 N ATOM 1570 CA SER A 92 8.832 8.261 10.852 1.00 51.40 C ATOM 1571 C SER A 92 9.747 7.073 10.547 1.00 74.42 C ATOM 1572 O SER A 92 10.815 6.939 11.141 1.00 22.05 O ATOM 1573 CB SER A 92 8.836 8.563 12.352 1.00 12.45 C ATOM 1574 OG SER A 92 10.131 8.935 12.818 1.00 11.51 O ATOM 0 H SER A 92 7.071 7.130 10.744 1.00 1.13 H new ATOM 0 HA SER A 92 9.206 9.142 10.330 1.00 51.40 H new ATOM 0 HB2 SER A 92 8.130 9.367 12.562 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.492 7.686 12.899 1.00 12.45 H new ATOM 0 HG SER A 92 10.808 8.377 12.382 1.00 11.51 H new ATOM 1580 N THR A 93 9.293 6.240 9.621 1.00 61.14 N ATOM 1581 CA THR A 93 10.058 5.068 9.229 1.00 63.22 C ATOM 1582 C THR A 93 10.162 4.985 7.705 1.00 21.35 C ATOM 1583 O THR A 93 9.226 5.344 6.994 1.00 40.15 O ATOM 1584 CB THR A 93 9.397 3.841 9.861 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.658 3.985 11.254 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.102 2.537 9.482 1.00 72.01 C ATOM 0 H THR A 93 8.406 6.354 9.131 1.00 61.14 H new ATOM 0 HA THR A 93 11.085 5.125 9.591 1.00 63.22 H new ATOM 0 HB THR A 93 8.353 3.792 9.553 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.263 3.232 11.740 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.594 1.697 9.956 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.078 2.411 8.400 1.00 72.01 H new ATOM 0 HG23 THR A 93 11.138 2.572 9.820 1.00 72.01 H new ATOM 1594 N PRO A 94 11.342 4.495 7.237 1.00 14.14 N ATOM 1595 CA PRO A 94 11.582 4.360 5.810 1.00 74.20 C ATOM 1596 C PRO A 94 10.818 3.165 5.237 1.00 15.02 C ATOM 1597 O PRO A 94 10.698 2.128 5.889 1.00 45.33 O ATOM 1598 CB PRO A 94 13.089 4.220 5.677 1.00 44.34 C ATOM 1599 CG PRO A 94 13.595 3.817 7.052 1.00 22.42 C ATOM 1600 CD PRO A 94 12.473 4.059 8.049 1.00 54.04 C ATOM 0 HA PRO A 94 11.223 5.217 5.240 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.347 3.469 4.931 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.541 5.158 5.354 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.892 2.768 7.058 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.477 4.399 7.320 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.235 3.152 8.605 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.751 4.818 8.781 1.00 54.04 H new ATOM 1608 N ILE A 95 10.320 3.349 4.022 1.00 43.23 N ATOM 1609 CA ILE A 95 9.570 2.299 3.353 1.00 11.34 C ATOM 1610 C ILE A 95 10.380 1.001 3.385 1.00 4.52 C ATOM 1611 O ILE A 95 9.820 -0.087 3.267 1.00 11.01 O ATOM 1612 CB ILE A 95 9.172 2.741 1.944 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.083 1.830 1.372 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.394 2.819 1.027 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.796 2.614 1.105 1.00 23.35 C ATOM 0 H ILE A 95 10.421 4.210 3.484 1.00 43.23 H new ATOM 0 HA ILE A 95 8.634 2.104 3.877 1.00 11.34 H new ATOM 0 HB ILE A 95 8.753 3.745 2.006 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.434 1.375 0.446 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.880 1.018 2.070 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.082 3.136 0.032 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.106 3.539 1.430 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.865 1.838 0.965 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.039 1.943 0.699 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.434 3.048 2.037 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.997 3.410 0.388 1.00 23.35 H new ATOM 1627 N SER A 96 11.686 1.159 3.544 1.00 11.42 N ATOM 1628 CA SER A 96 12.579 0.014 3.592 1.00 51.52 C ATOM 1629 C SER A 96 12.330 -0.790 4.870 1.00 41.31 C ATOM 1630 O SER A 96 12.322 -2.020 4.842 1.00 24.42 O ATOM 1631 CB SER A 96 14.042 0.453 3.520 1.00 73.11 C ATOM 1632 OG SER A 96 14.497 1.003 4.753 1.00 50.12 O ATOM 0 H SER A 96 12.147 2.064 3.641 1.00 11.42 H new ATOM 0 HA SER A 96 12.373 -0.616 2.727 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.664 -0.401 3.253 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.160 1.193 2.728 1.00 73.11 H new ATOM 0 HG SER A 96 15.436 1.269 4.666 1.00 50.12 H new ATOM 1638 N GLU A 97 12.130 -0.063 5.959 1.00 73.25 N ATOM 1639 CA GLU A 97 11.881 -0.694 7.245 1.00 22.40 C ATOM 1640 C GLU A 97 10.403 -1.070 7.373 1.00 74.43 C ATOM 1641 O GLU A 97 10.075 -2.221 7.658 1.00 53.53 O ATOM 1642 CB GLU A 97 12.317 0.216 8.395 1.00 24.31 C ATOM 1643 CG GLU A 97 13.817 0.506 8.326 1.00 14.32 C ATOM 1644 CD GLU A 97 14.626 -0.635 8.947 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.379 -1.013 10.102 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.540 -1.134 8.186 1.00 21.14 O ATOM 0 H GLU A 97 12.135 0.957 5.978 1.00 73.25 H new ATOM 0 HA GLU A 97 12.475 -1.606 7.302 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.760 1.152 8.354 1.00 24.31 H new ATOM 0 HB3 GLU A 97 12.078 -0.256 9.348 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.117 0.645 7.287 1.00 14.32 H new ATOM 0 HG3 GLU A 97 14.035 1.437 8.848 1.00 14.32 H new ATOM 1654 N VAL A 98 9.552 -0.078 7.158 1.00 73.03 N ATOM 1655 CA VAL A 98 8.117 -0.291 7.246 1.00 14.31 C ATOM 1656 C VAL A 98 7.758 -1.611 6.561 1.00 14.23 C ATOM 1657 O VAL A 98 6.851 -2.315 7.000 1.00 62.31 O ATOM 1658 CB VAL A 98 7.373 0.910 6.659 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.951 0.525 6.246 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.361 2.083 7.641 1.00 53.40 C ATOM 0 H VAL A 98 9.828 0.875 6.923 1.00 73.03 H new ATOM 0 HA VAL A 98 7.806 -0.371 8.288 1.00 14.31 H new ATOM 0 HB VAL A 98 7.907 1.230 5.764 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.444 1.396 5.832 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.991 -0.263 5.494 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.403 0.167 7.118 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.826 2.923 7.198 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.863 1.781 8.563 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.385 2.382 7.863 1.00 53.40 H new ATOM 1670 N TYR A 99 8.490 -1.906 5.496 1.00 23.41 N ATOM 1671 CA TYR A 99 8.260 -3.129 4.746 1.00 72.23 C ATOM 1672 C TYR A 99 8.878 -4.334 5.458 1.00 41.42 C ATOM 1673 O TYR A 99 8.290 -5.413 5.485 1.00 44.51 O ATOM 1674 CB TYR A 99 8.959 -2.934 3.399 1.00 73.42 C ATOM 1675 CG TYR A 99 9.259 -4.240 2.660 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.272 -5.066 3.101 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.515 -4.592 1.551 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.554 -6.295 2.405 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.797 -5.820 0.855 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.803 -6.611 1.317 1.00 12.34 C ATOM 1681 OH TYR A 99 10.069 -7.772 0.659 1.00 34.03 O ATOM 0 H TYR A 99 9.242 -1.319 5.135 1.00 23.41 H new ATOM 0 HA TYR A 99 7.192 -3.319 4.640 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.335 -2.305 2.765 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.893 -2.397 3.560 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.854 -4.791 3.968 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.721 -3.946 1.206 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.344 -6.951 2.740 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.223 -6.107 -0.014 1.00 65.15 H new ATOM 0 HH TYR A 99 9.404 -7.907 -0.048 1.00 34.03 H new ATOM 1691 N GLU A 100 10.057 -4.108 6.019 1.00 24.12 N ATOM 1692 CA GLU A 100 10.761 -5.161 6.730 1.00 10.14 C ATOM 1693 C GLU A 100 10.158 -5.358 8.122 1.00 24.24 C ATOM 1694 O GLU A 100 10.563 -6.258 8.857 1.00 64.34 O ATOM 1695 CB GLU A 100 12.258 -4.856 6.820 1.00 52.12 C ATOM 1696 CG GLU A 100 12.587 -4.102 8.110 1.00 41.55 C ATOM 1697 CD GLU A 100 13.927 -3.372 7.991 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.649 -3.234 8.991 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.210 -2.941 6.809 1.00 74.24 O ATOM 0 H GLU A 100 10.542 -3.211 5.995 1.00 24.12 H new ATOM 0 HA GLU A 100 10.645 -6.089 6.171 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.825 -5.786 6.783 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.564 -4.262 5.959 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.796 -3.385 8.328 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.622 -4.801 8.945 1.00 41.55 H new ATOM 1707 N SER A 101 9.199 -4.502 8.442 1.00 23.43 N ATOM 1708 CA SER A 101 8.535 -4.570 9.733 1.00 33.22 C ATOM 1709 C SER A 101 7.057 -4.918 9.544 1.00 63.15 C ATOM 1710 O SER A 101 6.290 -4.928 10.505 1.00 0.10 O ATOM 1711 CB SER A 101 8.677 -3.252 10.496 1.00 23.11 C ATOM 1712 OG SER A 101 9.921 -3.165 11.186 1.00 11.13 O ATOM 0 H SER A 101 8.866 -3.757 7.830 1.00 23.43 H new ATOM 0 HA SER A 101 9.013 -5.352 10.322 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.590 -2.419 9.799 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.859 -3.157 11.210 1.00 23.11 H new ATOM 0 HG SER A 101 9.973 -2.308 11.659 1.00 11.13 H new ATOM 1718 N GLU A 102 6.702 -5.194 8.298 1.00 74.03 N ATOM 1719 CA GLU A 102 5.330 -5.541 7.969 1.00 73.55 C ATOM 1720 C GLU A 102 5.299 -6.724 7.000 1.00 44.54 C ATOM 1721 O GLU A 102 4.638 -7.727 7.261 1.00 34.43 O ATOM 1722 CB GLU A 102 4.583 -4.337 7.390 1.00 0.30 C ATOM 1723 CG GLU A 102 4.567 -3.173 8.383 1.00 75.10 C ATOM 1724 CD GLU A 102 3.586 -3.442 9.527 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.522 -2.811 9.592 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.964 -4.345 10.367 1.00 73.01 O ATOM 0 H GLU A 102 7.341 -5.184 7.503 1.00 74.03 H new ATOM 0 HA GLU A 102 4.821 -5.835 8.887 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.059 -4.021 6.462 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.561 -4.623 7.143 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.568 -3.020 8.786 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.287 -2.254 7.868 1.00 75.10 H new ATOM 1734 N ARG A 103 6.021 -6.566 5.901 1.00 73.01 N ATOM 1735 CA ARG A 103 6.085 -7.609 4.891 1.00 11.32 C ATOM 1736 C ARG A 103 6.060 -8.989 5.550 1.00 10.30 C ATOM 1737 O ARG A 103 6.490 -9.143 6.692 1.00 22.34 O ATOM 1738 CB ARG A 103 7.353 -7.479 4.044 1.00 73.24 C ATOM 1739 CG ARG A 103 8.587 -7.920 4.834 1.00 1.11 C ATOM 1740 CD ARG A 103 8.805 -9.429 4.714 1.00 64.23 C ATOM 1741 NE ARG A 103 10.247 -9.742 4.813 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.817 -10.858 4.309 1.00 54.13 C ATOM 1743 NH1 ARG A 103 10.068 -11.778 3.664 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.117 -11.036 4.456 1.00 53.31 N ATOM 0 H ARG A 103 6.567 -5.731 5.687 1.00 73.01 H new ATOM 0 HA ARG A 103 5.216 -7.496 4.243 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.257 -8.086 3.144 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.474 -6.445 3.720 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.467 -7.392 4.466 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.468 -7.649 5.883 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.257 -9.947 5.501 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.411 -9.787 3.763 1.00 64.23 H new ATOM 0 HE ARG A 103 10.849 -9.073 5.292 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.064 -11.633 3.555 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.506 -12.618 3.286 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.676 -10.336 4.944 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.563 -11.873 4.081 1.00 53.31 H new ATOM 1757 N ASP A 104 5.551 -9.958 4.803 1.00 3.22 N ATOM 1758 CA ASP A 104 5.464 -11.320 5.301 1.00 24.23 C ATOM 1759 C ASP A 104 6.487 -12.192 4.570 1.00 52.11 C ATOM 1760 O ASP A 104 7.281 -11.690 3.775 1.00 14.33 O ATOM 1761 CB ASP A 104 4.075 -11.910 5.051 1.00 21.34 C ATOM 1762 CG ASP A 104 3.606 -12.926 6.094 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.762 -12.715 7.306 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.052 -13.986 5.613 1.00 12.42 O ATOM 0 H ASP A 104 5.195 -9.827 3.856 1.00 3.22 H new ATOM 0 HA ASP A 104 5.660 -11.300 6.373 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.353 -11.095 5.010 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.071 -12.389 4.072 1.00 21.34 H new ATOM 1770 N GLU A 105 6.435 -13.483 4.864 1.00 4.45 N ATOM 1771 CA GLU A 105 7.347 -14.430 4.245 1.00 23.41 C ATOM 1772 C GLU A 105 7.352 -14.245 2.727 1.00 43.50 C ATOM 1773 O GLU A 105 8.362 -14.498 2.071 1.00 71.12 O ATOM 1774 CB GLU A 105 6.983 -15.867 4.621 1.00 74.25 C ATOM 1775 CG GLU A 105 7.024 -16.065 6.137 1.00 61.33 C ATOM 1776 CD GLU A 105 8.404 -15.715 6.698 1.00 54.43 C ATOM 1777 OE1 GLU A 105 8.645 -14.559 7.076 1.00 41.24 O ATOM 1778 OE2 GLU A 105 9.242 -16.695 6.735 1.00 31.11 O ATOM 0 H GLU A 105 5.775 -13.896 5.523 1.00 4.45 H new ATOM 0 HA GLU A 105 8.352 -14.235 4.619 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.987 -16.103 4.247 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.676 -16.559 4.142 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.266 -15.440 6.610 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.781 -17.100 6.379 1.00 61.33 H new ATOM 1786 N ASP A 106 6.215 -13.803 2.212 1.00 14.21 N ATOM 1787 CA ASP A 106 6.077 -13.581 0.782 1.00 71.01 C ATOM 1788 C ASP A 106 7.049 -12.484 0.344 1.00 12.41 C ATOM 1789 O ASP A 106 7.756 -12.638 -0.651 1.00 41.35 O ATOM 1790 CB ASP A 106 4.659 -13.124 0.430 1.00 4.22 C ATOM 1791 CG ASP A 106 4.009 -12.189 1.451 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.532 -11.105 1.749 1.00 41.53 O ATOM 1793 OD2 ASP A 106 2.903 -12.620 1.958 1.00 55.23 O ATOM 0 H ASP A 106 5.380 -13.592 2.759 1.00 14.21 H new ATOM 0 HA ASP A 106 6.290 -14.521 0.273 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.685 -12.620 -0.536 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.028 -14.005 0.313 1.00 4.22 H new ATOM 1799 N GLY A 107 7.053 -11.402 1.108 1.00 33.44 N ATOM 1800 CA GLY A 107 7.927 -10.280 0.811 1.00 23.13 C ATOM 1801 C GLY A 107 7.168 -9.171 0.080 1.00 31.21 C ATOM 1802 O GLY A 107 7.777 -8.264 -0.485 1.00 13.31 O ATOM 0 H GLY A 107 6.465 -11.278 1.932 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.348 -9.888 1.737 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.763 -10.618 0.198 1.00 23.13 H new ATOM 1806 N PHE A 108 5.847 -9.281 0.114 1.00 52.33 N ATOM 1807 CA PHE A 108 4.998 -8.298 -0.537 1.00 14.14 C ATOM 1808 C PHE A 108 4.216 -7.480 0.491 1.00 21.33 C ATOM 1809 O PHE A 108 3.574 -8.040 1.378 1.00 22.32 O ATOM 1810 CB PHE A 108 4.010 -9.073 -1.413 1.00 51.42 C ATOM 1811 CG PHE A 108 4.317 -9.001 -2.911 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.262 -7.808 -3.560 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.644 -10.132 -3.592 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.547 -7.741 -4.949 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.929 -10.065 -4.982 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.875 -8.872 -5.631 1.00 4.21 C ATOM 0 H PHE A 108 5.345 -10.035 0.582 1.00 52.33 H new ATOM 0 HA PHE A 108 5.608 -7.608 -1.121 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.008 -10.118 -1.103 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.006 -8.687 -1.239 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.001 -6.911 -3.019 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.687 -11.080 -3.076 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.504 -6.793 -5.464 1.00 73.31 H new ATOM 0 HE2 PHE A 108 5.189 -10.963 -5.523 1.00 54.21 H new ATOM 0 HZ PHE A 108 5.092 -8.822 -6.688 1.00 4.21 H new ATOM 1826 N LEU A 109 4.296 -6.166 0.339 1.00 21.41 N ATOM 1827 CA LEU A 109 3.604 -5.264 1.244 1.00 35.21 C ATOM 1828 C LEU A 109 2.123 -5.204 0.864 1.00 20.13 C ATOM 1829 O LEU A 109 1.785 -5.102 -0.315 1.00 53.12 O ATOM 1830 CB LEU A 109 4.289 -3.897 1.266 1.00 71.00 C ATOM 1831 CG LEU A 109 5.131 -3.588 2.506 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.281 -2.934 3.597 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.844 -4.845 3.011 1.00 53.35 C ATOM 0 H LEU A 109 4.830 -5.704 -0.398 1.00 21.41 H new ATOM 0 HA LEU A 109 3.656 -5.637 2.267 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.930 -3.820 0.388 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.523 -3.127 1.170 1.00 71.00 H new ATOM 0 HG LEU A 109 5.902 -2.870 2.226 1.00 51.53 H new ATOM 0 HD11 LEU A 109 4.904 -2.725 4.467 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.859 -2.002 3.220 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.474 -3.608 3.882 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.436 -4.598 3.893 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.105 -5.603 3.270 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.500 -5.230 2.230 1.00 53.35 H new ATOM 1845 N TYR A 110 1.279 -5.270 1.883 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.157 -5.224 1.671 1.00 32.34 C ATOM 1847 C TYR A 110 -0.771 -3.993 2.338 1.00 41.52 C ATOM 1848 O TYR A 110 -0.871 -3.931 3.563 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.722 -6.482 2.332 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.158 -7.789 1.767 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.730 -8.360 0.648 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.920 -8.395 2.376 1.00 40.13 C ATOM 1853 CE1 TYR A 110 -0.201 -9.588 0.116 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.450 -9.624 1.844 1.00 12.12 C ATOM 1855 CZ TYR A 110 0.864 -10.159 0.740 1.00 64.21 C ATOM 1856 OH TYR A 110 1.364 -11.320 0.238 1.00 75.44 O ATOM 0 H TYR A 110 1.563 -5.355 2.859 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.385 -5.173 0.606 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.516 -6.442 3.402 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.806 -6.486 2.216 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.575 -7.885 0.172 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.367 -7.948 3.252 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -0.640 -10.046 -0.758 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.294 -10.110 2.311 1.00 12.12 H new ATOM 0 HH TYR A 110 1.585 -11.927 0.975 1.00 75.44 H new ATOM 1866 N MET A 111 -1.166 -3.041 1.505 1.00 11.54 N ATOM 1867 CA MET A 111 -1.768 -1.815 2.000 1.00 54.55 C ATOM 1868 C MET A 111 -3.037 -1.472 1.217 1.00 15.42 C ATOM 1869 O MET A 111 -3.053 -1.549 -0.011 1.00 64.01 O ATOM 1870 CB MET A 111 -0.765 -0.666 1.872 1.00 60.14 C ATOM 1871 CG MET A 111 0.662 -1.152 2.141 1.00 4.13 C ATOM 1872 SD MET A 111 1.774 0.241 2.231 1.00 11.21 S ATOM 1873 CE MET A 111 3.128 -0.381 1.248 1.00 41.54 C ATOM 0 H MET A 111 -1.081 -3.094 0.490 1.00 11.54 H new ATOM 0 HA MET A 111 -2.037 -1.961 3.046 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.824 -0.236 0.872 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.022 0.126 2.575 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.694 -1.714 3.074 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.979 -1.831 1.349 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.044 -0.364 1.838 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.914 -1.404 0.940 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.254 0.245 0.365 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.070 -1.102 1.959 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.341 -0.748 1.350 1.00 51.41 C ATOM 1885 C VAL A 112 -5.532 0.768 1.426 1.00 34.21 C ATOM 1886 O VAL A 112 -5.280 1.379 2.464 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.476 -1.528 2.017 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.816 -0.815 1.828 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.538 -2.963 1.489 1.00 14.04 C ATOM 0 H VAL A 112 -4.053 -1.040 2.977 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.350 -1.025 0.296 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.269 -1.573 3.086 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.606 -1.390 2.311 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.766 0.178 2.274 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.033 -0.724 0.764 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.353 -3.496 1.979 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.710 -2.948 0.413 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.596 -3.469 1.699 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.979 1.332 0.314 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.208 2.765 0.241 1.00 64.13 C ATOM 1901 C TYR A 113 -7.702 3.077 0.131 1.00 45.34 C ATOM 1902 O TYR A 113 -8.476 2.257 -0.357 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.505 3.240 -1.033 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.288 2.960 -2.317 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.354 3.764 -2.664 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.928 1.903 -3.128 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -8.092 3.500 -3.873 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.665 1.639 -4.337 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.710 2.450 -4.650 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.407 2.202 -5.790 1.00 43.21 O ATOM 0 H TYR A 113 -6.189 0.822 -0.544 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.831 3.260 1.136 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.323 4.312 -0.957 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.531 2.755 -1.101 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.635 4.591 -2.029 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -5.093 1.274 -2.856 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.929 4.121 -4.156 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.393 0.815 -4.980 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.754 3.044 -6.151 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.060 4.266 0.594 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.447 4.696 0.554 1.00 1.44 C ATOM 1922 C ALA A 114 -9.512 6.212 0.757 1.00 2.12 C ATOM 1923 O ALA A 114 -8.486 6.860 0.956 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.249 3.933 1.610 1.00 12.02 C ATOM 0 H ALA A 114 -7.414 4.944 0.998 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.890 4.473 -0.417 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.290 4.256 1.580 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.195 2.864 1.406 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.835 4.135 2.598 1.00 12.02 H new ATOM 1930 N SER A 115 -10.729 6.733 0.698 1.00 54.31 N ATOM 1931 CA SER A 115 -10.942 8.160 0.873 1.00 61.52 C ATOM 1932 C SER A 115 -11.169 8.478 2.352 1.00 53.55 C ATOM 1933 O SER A 115 -11.718 9.527 2.688 1.00 63.34 O ATOM 1934 CB SER A 115 -12.127 8.646 0.036 1.00 1.23 C ATOM 1935 OG SER A 115 -13.368 8.463 0.714 1.00 60.44 O ATOM 0 H SER A 115 -11.578 6.192 0.531 1.00 54.31 H new ATOM 0 HA SER A 115 -10.050 8.684 0.529 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.995 9.702 -0.201 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.148 8.107 -0.911 1.00 1.23 H new ATOM 0 HG SER A 115 -14.100 8.787 0.149 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.735 7.554 3.197 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.884 7.723 4.632 1.00 53.23 C ATOM 1943 C GLN A 116 -9.749 7.012 5.371 1.00 50.42 C ATOM 1944 O GLN A 116 -9.224 6.009 4.891 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.248 7.216 5.105 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.421 7.430 6.610 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.890 7.666 6.966 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.263 8.677 7.538 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.702 6.680 6.594 1.00 55.11 N ATOM 0 H GLN A 116 -10.280 6.686 2.915 1.00 43.31 H new ATOM 0 HA GLN A 116 -10.829 8.787 4.860 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.040 7.737 4.567 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.347 6.156 4.871 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -12.048 6.560 7.150 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.824 8.284 6.930 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.324 5.860 6.118 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.702 6.744 6.784 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.404 7.560 6.527 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.340 6.991 7.338 1.00 34.21 C ATOM 1960 C GLU A 117 -8.855 6.674 8.743 1.00 42.32 C ATOM 1961 O GLU A 117 -8.114 6.156 9.577 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.133 7.928 7.394 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.431 7.837 8.750 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.202 8.747 8.794 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -5.065 9.559 9.721 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.370 8.588 7.821 1.00 14.44 O ATOM 0 H GLU A 117 -9.842 8.392 6.922 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.014 6.060 6.874 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.432 7.672 6.600 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.456 8.954 7.216 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.125 8.119 9.542 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.132 6.806 8.940 1.00 44.23 H new ATOM 1974 N THR A 118 -10.120 7.000 8.963 1.00 32.30 N ATOM 1975 CA THR A 118 -10.743 6.756 10.253 1.00 34.24 C ATOM 1976 C THR A 118 -12.137 6.155 10.068 1.00 33.31 C ATOM 1977 O THR A 118 -13.125 6.704 10.554 1.00 43.32 O ATOM 1978 CB THR A 118 -10.749 8.074 11.031 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.390 8.994 10.151 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.344 8.652 11.214 1.00 11.22 C ATOM 0 H THR A 118 -10.731 7.431 8.269 1.00 32.30 H new ATOM 0 HA THR A 118 -10.181 6.022 10.830 1.00 34.24 H new ATOM 0 HB THR A 118 -11.207 7.917 12.007 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.438 9.875 10.577 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.405 9.586 11.772 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.727 7.941 11.763 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.898 8.841 10.237 1.00 11.22 H new ATOM 2085 N ASP B 337 8.711 -6.426 -14.817 1.00 34.41 N ATOM 2086 CA ASP B 337 8.964 -5.410 -13.809 1.00 41.12 C ATOM 2087 C ASP B 337 7.659 -4.672 -13.497 1.00 44.23 C ATOM 2088 O ASP B 337 6.757 -4.619 -14.332 1.00 22.34 O ATOM 2089 CB ASP B 337 9.981 -4.381 -14.307 1.00 74.41 C ATOM 2090 CG ASP B 337 9.565 -3.616 -15.565 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.594 -4.157 -16.680 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.194 -2.397 -15.364 1.00 24.22 O ATOM 0 HA ASP B 337 9.358 -5.906 -12.922 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.169 -3.663 -13.509 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.924 -4.891 -14.505 1.00 74.41 H new ATOM 2098 N TRP B 338 7.602 -4.121 -12.294 1.00 31.21 N ATOM 2099 CA TRP B 338 6.423 -3.389 -11.862 1.00 33.50 C ATOM 2100 C TRP B 338 6.621 -1.916 -12.228 1.00 43.13 C ATOM 2101 O TRP B 338 7.336 -1.599 -13.177 1.00 24.04 O ATOM 2102 CB TRP B 338 6.161 -3.603 -10.370 1.00 13.13 C ATOM 2103 CG TRP B 338 6.453 -5.025 -9.886 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.684 -6.118 -10.625 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.537 -5.465 -8.513 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.911 -7.226 -9.834 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.818 -6.817 -8.510 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.381 -4.746 -7.316 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.967 -7.565 -7.336 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.533 -5.509 -6.151 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.816 -6.869 -6.130 1.00 22.23 C ATOM 0 H TRP B 338 8.353 -4.166 -11.605 1.00 31.21 H new ATOM 0 HA TRP B 338 5.532 -3.758 -12.370 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.772 -2.903 -9.800 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.119 -3.364 -10.156 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.692 -6.131 -11.705 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.110 -8.171 -10.161 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.161 -3.689 -7.296 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.187 -8.622 -7.359 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.422 -5.005 -5.202 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.919 -7.387 -5.188 1.00 22.23 H new ATOM 2122 N THR B 339 5.975 -1.056 -11.455 1.00 11.15 N ATOM 2123 CA THR B 339 6.070 0.376 -11.686 1.00 63.24 C ATOM 2124 C THR B 339 7.136 0.992 -10.779 1.00 75.25 C ATOM 2125 O THR B 339 7.510 0.404 -9.766 1.00 55.55 O ATOM 2126 CB THR B 339 4.679 0.981 -11.488 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.553 1.920 -12.551 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.587 1.837 -10.222 1.00 73.05 C ATOM 0 H THR B 339 5.384 -1.323 -10.668 1.00 11.15 H new ATOM 0 HA THR B 339 6.391 0.592 -12.705 1.00 63.24 H new ATOM 0 HB THR B 339 3.940 0.181 -11.440 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.972 2.657 -12.269 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.579 2.242 -10.129 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.813 1.223 -9.350 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.303 2.656 -10.284 1.00 73.05 H new ATOM 2136 N HIS B 340 7.596 2.169 -11.176 1.00 23.10 N ATOM 2137 CA HIS B 340 8.613 2.873 -10.411 1.00 53.35 C ATOM 2138 C HIS B 340 7.998 4.113 -9.760 1.00 55.35 C ATOM 2139 O HIS B 340 7.405 4.947 -10.440 1.00 75.31 O ATOM 2140 CB HIS B 340 9.822 3.202 -11.289 1.00 52.13 C ATOM 2141 CG HIS B 340 9.691 2.730 -12.718 1.00 4.34 C ATOM 2142 ND1 HIS B 340 10.270 1.560 -13.176 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.041 3.282 -13.782 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.976 1.424 -14.461 1.00 52.42 C ATOM 2145 NE2 HIS B 340 9.215 2.492 -14.835 1.00 32.50 N ATOM 0 H HIS B 340 7.284 2.654 -12.017 1.00 23.10 H new ATOM 0 HA HIS B 340 8.982 2.231 -9.611 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.977 4.281 -11.286 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.711 2.751 -10.848 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.480 4.205 -13.770 1.00 35.32 H new ATOM 0 HE1 HIS B 340 10.285 0.610 -15.100 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.841 2.657 -15.770 1.00 32.50 H new ATOM 2153 N LEU B 341 8.160 4.193 -8.447 1.00 42.45 N ATOM 2154 CA LEU B 341 7.628 5.316 -7.694 1.00 42.21 C ATOM 2155 C LEU B 341 8.700 6.403 -7.583 1.00 60.12 C ATOM 2156 O LEU B 341 9.520 6.379 -6.665 1.00 1.40 O ATOM 2157 CB LEU B 341 7.085 4.848 -6.343 1.00 45.14 C ATOM 2158 CG LEU B 341 6.234 3.576 -6.368 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.432 3.429 -5.073 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.336 3.541 -7.606 1.00 55.44 C ATOM 0 H LEU B 341 8.652 3.498 -7.886 1.00 42.45 H new ATOM 0 HA LEU B 341 6.779 5.756 -8.216 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.928 4.685 -5.671 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.488 5.653 -5.915 1.00 45.14 H new ATOM 0 HG LEU B 341 6.903 2.718 -6.432 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.836 2.518 -5.116 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.116 3.376 -4.226 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.773 4.289 -4.954 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.742 2.627 -7.599 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.672 4.405 -7.598 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.953 3.566 -8.504 1.00 55.44 H new ATOM 2172 N SER B 342 8.661 7.328 -8.529 1.00 53.43 N ATOM 2173 CA SER B 342 9.619 8.421 -8.549 1.00 62.22 C ATOM 2174 C SER B 342 9.122 9.567 -7.665 1.00 15.10 C ATOM 2175 O SER B 342 7.972 9.990 -7.777 1.00 21.54 O ATOM 2176 CB SER B 342 9.859 8.918 -9.976 1.00 33.03 C ATOM 2177 OG SER B 342 9.630 7.895 -10.942 1.00 21.10 O ATOM 0 H SER B 342 7.980 7.344 -9.289 1.00 53.43 H new ATOM 0 HA SER B 342 10.567 8.052 -8.158 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.203 9.764 -10.181 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.883 9.280 -10.067 1.00 33.03 H new ATOM 0 HG SER B 342 9.638 8.286 -11.841 1.00 21.10 H new ATOM 2183 N SER B 343 10.014 10.037 -6.805 1.00 0.25 N ATOM 2184 CA SER B 343 9.682 11.126 -5.902 1.00 53.03 C ATOM 2185 C SER B 343 9.943 12.470 -6.585 1.00 5.52 C ATOM 2186 O SER B 343 9.829 13.522 -5.958 1.00 30.55 O ATOM 2187 CB SER B 343 10.482 11.028 -4.602 1.00 24.32 C ATOM 2188 OG SER B 343 11.600 11.910 -4.595 1.00 14.53 O ATOM 0 H SER B 343 10.966 9.683 -6.715 1.00 0.25 H new ATOM 0 HA SER B 343 8.624 11.051 -5.652 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.832 11.260 -3.758 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.828 10.003 -4.466 1.00 24.32 H new ATOM 0 HG SER B 343 12.084 11.818 -3.748 1.00 14.53 H new ATOM 2194 N LYS B 344 10.287 12.392 -7.862 1.00 41.31 N ATOM 2195 CA LYS B 344 10.565 13.589 -8.636 1.00 25.42 C ATOM 2196 C LYS B 344 9.328 13.958 -9.459 1.00 71.41 C ATOM 2197 O LYS B 344 9.157 15.113 -9.846 1.00 5.30 O ATOM 2198 CB LYS B 344 11.829 13.402 -9.479 1.00 31.02 C ATOM 2199 CG LYS B 344 11.896 11.986 -10.058 1.00 5.42 C ATOM 2200 CD LYS B 344 12.691 11.056 -9.140 1.00 64.43 C ATOM 2201 CE LYS B 344 14.154 11.493 -9.049 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.366 12.351 -7.860 1.00 22.20 N ATOM 0 H LYS B 344 10.379 11.518 -8.380 1.00 41.31 H new ATOM 0 HA LYS B 344 10.772 14.430 -7.974 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.842 14.131 -10.289 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.711 13.591 -8.866 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.887 11.596 -10.192 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.360 12.014 -11.044 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.246 11.054 -8.145 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.636 10.034 -9.516 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.799 10.616 -8.992 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.434 12.036 -9.951 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.615 13.313 -8.166 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.494 12.383 -7.295 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.138 11.960 -7.283 1.00 22.20 H new ATOM 2215 N GLU B 345 8.497 12.955 -9.701 1.00 53.15 N ATOM 2216 CA GLU B 345 7.281 13.159 -10.470 1.00 4.44 C ATOM 2217 C GLU B 345 6.141 13.603 -9.551 1.00 23.22 C ATOM 2218 O GLU B 345 5.025 13.839 -10.012 1.00 21.12 O ATOM 2219 CB GLU B 345 6.902 11.894 -11.243 1.00 53.02 C ATOM 2220 CG GLU B 345 8.120 11.300 -11.952 1.00 14.22 C ATOM 2221 CD GLU B 345 7.892 9.825 -12.290 1.00 0.42 C ATOM 2222 OE1 GLU B 345 8.727 9.208 -12.967 1.00 61.52 O ATOM 2223 OE2 GLU B 345 6.802 9.320 -11.821 1.00 24.43 O ATOM 0 H GLU B 345 8.642 11.998 -9.378 1.00 53.15 H new ATOM 0 HA GLU B 345 7.463 13.949 -11.199 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.480 11.158 -10.559 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.129 12.128 -11.975 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.322 11.859 -12.866 1.00 14.22 H new ATOM 0 HG3 GLU B 345 9.000 11.399 -11.316 1.00 14.22 H new ATOM 2231 N VAL B 346 6.460 13.702 -8.269 1.00 4.42 N ATOM 2232 CA VAL B 346 5.477 14.114 -7.282 1.00 33.24 C ATOM 2233 C VAL B 346 5.269 15.627 -7.375 1.00 64.22 C ATOM 2234 O VAL B 346 5.887 16.292 -8.205 1.00 4.44 O ATOM 2235 CB VAL B 346 5.910 13.654 -5.889 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.359 12.191 -5.908 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.013 14.559 -5.331 1.00 13.23 C ATOM 0 H VAL B 346 7.386 13.504 -7.891 1.00 4.42 H new ATOM 0 HA VAL B 346 4.515 13.642 -7.481 1.00 33.24 H new ATOM 0 HB VAL B 346 5.047 13.730 -5.228 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.661 11.890 -4.905 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.534 11.562 -6.242 1.00 34.11 H new ATOM 0 HG13 VAL B 346 7.202 12.078 -6.590 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.303 14.210 -4.340 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.878 14.529 -5.994 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.644 15.582 -5.262 1.00 13.23 H new ATOM 2247 N ASP B 347 4.396 16.126 -6.512 1.00 64.45 N ATOM 2248 CA ASP B 347 4.099 17.548 -6.487 1.00 13.23 C ATOM 2249 C ASP B 347 5.111 18.259 -5.585 1.00 41.10 C ATOM 2250 O ASP B 347 5.495 17.735 -4.541 1.00 60.02 O ATOM 2251 CB ASP B 347 2.700 17.808 -5.925 1.00 11.14 C ATOM 2252 CG ASP B 347 2.414 19.264 -5.550 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.659 19.690 -4.412 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.912 19.982 -6.497 1.00 54.24 O ATOM 0 H ASP B 347 3.885 15.571 -5.825 1.00 64.45 H new ATOM 0 HA ASP B 347 4.152 17.923 -7.509 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.963 17.487 -6.662 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.559 17.186 -5.041 1.00 11.14 H new