USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 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 90 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.41) USER MOD Single : A 26 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.2!) USER MOD Single : A 27 HIS : no HD1:sc= -3.96! C(o=-4!,f=-3.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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+ 178:sc= -1.75 (180deg=-1.93) USER MOD Single : A 43 GLN : amide:sc= -0.1 K(o=-0.1,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ -125:sc= -8.18! (180deg=-13.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= 0.283 (180deg=-0.0212) USER MOD Single : A 57 HIS : no HE2:sc= -6.07! C(o=-6.1!,f=-9.5!) USER MOD Single : A 59 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.8!) USER MOD Single : A 60 MET CE :methyl 156:sc= -3.35 (180deg=-4.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -112:sc= -0.363 (180deg=-0.681) USER MOD Single : A 72 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-1.3) USER MOD Single : A 74 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.87) USER MOD Single : A 76 ASN : amide:sc=-0.00551 X(o=-0.0055,f=0) USER MOD Single : A 77 GLN : amide:sc= 0.354 X(o=0.35,f=0.0039) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.154 F(o=-0.94,f=-0.15) USER MOD Single : A 86 HIS : +bothHN:sc= -7.61! C(o=-7.6!,f=-12!) USER MOD Single : A 87 SER OG : rot 140:sc= -0.784 USER MOD Single : A 88 MET CE :methyl -147:sc= -1.13 (180deg=-2.46!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -1.05 USER MOD Single : A 99 TYR OH : rot 165:sc= 1.08 USER MOD Single : A 101 SER OG : rot 30:sc= 0.278 USER MOD Single : A 110 TYR OH : rot 134:sc= 1.12 USER MOD Single : A 111 MET CE :methyl -138:sc= -2.14 (180deg=-6.41!) USER MOD Single : A 113 TYR OH : rot 15:sc= 0.804 USER MOD Single : A 115 SER OG : rot -57:sc= 1.07 USER MOD Single : A 116 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 118 THR OG1 : rot 59:sc= 0.589 USER MOD Single : B 339 THR OG1 : rot -126:sc= -1.24 USER MOD Single : B 340 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 46:sc= 1.11 USER MOD Single : B 344 LYS NZ :NH3+ -159:sc= -0.517 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.839 -16.989 -2.645 1.00 41.44 N ATOM 222 CA PHE A 13 0.361 -16.505 -1.983 1.00 63.33 C ATOM 223 C PHE A 13 1.616 -16.911 -2.759 1.00 44.41 C ATOM 224 O PHE A 13 2.344 -16.055 -3.260 1.00 20.03 O ATOM 225 CB PHE A 13 0.399 -17.156 -0.599 1.00 2.14 C ATOM 226 CG PHE A 13 1.098 -16.308 0.468 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.870 -14.969 0.528 1.00 23.23 C ATOM 228 CD2 PHE A 13 1.945 -16.895 1.355 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.517 -14.182 1.517 1.00 5.13 C ATOM 230 CE2 PHE A 13 2.593 -16.108 2.344 1.00 33.33 C ATOM 231 CZ PHE A 13 2.365 -14.769 2.404 1.00 61.43 C ATOM 0 HA PHE A 13 0.341 -15.417 -1.921 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.622 -17.359 -0.276 1.00 2.14 H new ATOM 0 HB3 PHE A 13 0.907 -18.118 -0.675 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.197 -14.504 -0.177 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.125 -17.959 1.308 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.336 -13.118 1.565 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.267 -16.573 3.048 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.858 -14.171 3.156 1.00 61.43 H new ATOM 241 N GLU A 14 1.831 -18.216 -2.834 1.00 55.44 N ATOM 242 CA GLU A 14 2.985 -18.745 -3.541 1.00 2.44 C ATOM 243 C GLU A 14 3.042 -18.182 -4.962 1.00 21.01 C ATOM 244 O GLU A 14 4.091 -18.210 -5.603 1.00 32.24 O ATOM 245 CB GLU A 14 2.965 -20.274 -3.557 1.00 3.33 C ATOM 246 CG GLU A 14 3.458 -20.844 -2.225 1.00 34.15 C ATOM 247 CD GLU A 14 4.980 -21.001 -2.226 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.605 -20.978 -3.297 1.00 44.41 O ATOM 249 OE2 GLU A 14 5.514 -21.148 -1.061 1.00 21.22 O ATOM 0 H GLU A 14 1.226 -18.923 -2.417 1.00 55.44 H new ATOM 0 HA GLU A 14 3.885 -18.432 -3.012 1.00 2.44 H new ATOM 0 HB2 GLU A 14 1.952 -20.626 -3.754 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.594 -20.641 -4.368 1.00 3.33 H new ATOM 0 HG2 GLU A 14 3.157 -20.186 -1.410 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.989 -21.811 -2.043 1.00 34.15 H new ATOM 257 N GLN A 15 1.900 -17.684 -5.412 1.00 45.15 N ATOM 258 CA GLN A 15 1.806 -17.115 -6.747 1.00 41.13 C ATOM 259 C GLN A 15 2.237 -15.648 -6.730 1.00 53.54 C ATOM 260 O GLN A 15 2.743 -15.134 -7.726 1.00 72.22 O ATOM 261 CB GLN A 15 0.390 -17.264 -7.308 1.00 53.44 C ATOM 262 CG GLN A 15 0.384 -18.162 -8.547 1.00 54.20 C ATOM 263 CD GLN A 15 1.433 -17.703 -9.561 1.00 14.33 C ATOM 264 OE1 GLN A 15 1.355 -16.627 -10.131 1.00 75.04 O ATOM 265 NE2 GLN A 15 2.417 -18.577 -9.754 1.00 10.33 N ATOM 0 H GLN A 15 1.032 -17.662 -4.877 1.00 45.15 H new ATOM 0 HA GLN A 15 2.481 -17.664 -7.403 1.00 41.13 H new ATOM 0 HB2 GLN A 15 -0.265 -17.686 -6.545 1.00 53.44 H new ATOM 0 HB3 GLN A 15 -0.009 -16.282 -7.564 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.583 -19.193 -8.254 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.604 -18.146 -9.008 1.00 54.20 H new ATOM 0 HE21 GLN A 15 2.422 -19.460 -9.244 1.00 10.33 H new ATOM 0 HE22 GLN A 15 3.167 -18.364 -10.412 1.00 10.33 H new ATOM 274 N ARG A 16 2.022 -15.014 -5.586 1.00 3.03 N ATOM 275 CA ARG A 16 2.381 -13.616 -5.426 1.00 14.35 C ATOM 276 C ARG A 16 3.812 -13.492 -4.898 1.00 53.10 C ATOM 277 O ARG A 16 4.452 -12.456 -5.065 1.00 3.11 O ATOM 278 CB ARG A 16 1.427 -12.908 -4.462 1.00 24.11 C ATOM 279 CG ARG A 16 0.003 -12.882 -5.021 1.00 72.42 C ATOM 280 CD ARG A 16 -0.727 -11.604 -4.600 1.00 11.40 C ATOM 281 NE ARG A 16 0.114 -10.422 -4.887 1.00 51.11 N ATOM 282 CZ ARG A 16 0.395 -9.977 -6.131 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.098 -10.614 -7.215 1.00 15.11 N ATOM 284 NH2 ARG A 16 1.159 -8.909 -6.271 1.00 73.11 N ATOM 0 H ARG A 16 1.603 -15.444 -4.761 1.00 3.03 H new ATOM 0 HA ARG A 16 2.308 -13.142 -6.405 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.434 -13.417 -3.498 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.771 -11.889 -4.287 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.034 -12.946 -6.109 1.00 72.42 H new ATOM 0 HG3 ARG A 16 -0.547 -13.753 -4.666 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -1.674 -11.524 -5.133 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.962 -11.643 -3.536 1.00 11.40 H new ATOM 0 HE ARG A 16 0.506 -9.911 -4.096 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -0.688 -11.438 -7.098 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.119 -10.271 -8.151 1.00 15.11 H new ATOM 0 HH21 ARG A 16 1.527 -8.434 -5.447 1.00 73.11 H new ATOM 0 HH22 ARG A 16 1.381 -8.559 -7.203 1.00 73.11 H new ATOM 297 N VAL A 17 4.272 -14.566 -4.274 1.00 23.21 N ATOM 298 CA VAL A 17 5.616 -14.592 -3.721 1.00 72.24 C ATOM 299 C VAL A 17 6.628 -14.749 -4.857 1.00 12.31 C ATOM 300 O VAL A 17 7.693 -14.133 -4.834 1.00 41.11 O ATOM 301 CB VAL A 17 5.727 -15.695 -2.665 1.00 61.12 C ATOM 302 CG1 VAL A 17 4.472 -15.746 -1.791 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.997 -17.052 -3.318 1.00 4.10 C ATOM 0 H VAL A 17 3.738 -15.425 -4.139 1.00 23.21 H new ATOM 0 HA VAL A 17 5.838 -13.652 -3.215 1.00 72.24 H new ATOM 0 HB VAL A 17 6.574 -15.459 -2.020 1.00 61.12 H new ATOM 0 HG11 VAL A 17 4.577 -16.538 -1.049 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.342 -14.790 -1.285 1.00 70.24 H new ATOM 0 HG13 VAL A 17 3.602 -15.947 -2.416 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.072 -17.819 -2.547 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.180 -17.298 -3.997 1.00 4.10 H new ATOM 0 HG23 VAL A 17 6.932 -17.007 -3.877 1.00 4.10 H new ATOM 313 N GLU A 18 6.259 -15.574 -5.826 1.00 25.41 N ATOM 314 CA GLU A 18 7.122 -15.819 -6.969 1.00 5.04 C ATOM 315 C GLU A 18 7.303 -14.536 -7.782 1.00 14.13 C ATOM 316 O GLU A 18 8.196 -14.450 -8.622 1.00 42.13 O ATOM 317 CB GLU A 18 6.567 -16.947 -7.842 1.00 74.55 C ATOM 318 CG GLU A 18 7.211 -16.932 -9.230 1.00 43.23 C ATOM 319 CD GLU A 18 7.127 -18.312 -9.888 1.00 34.23 C ATOM 320 OE1 GLU A 18 6.029 -18.877 -10.004 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.254 -18.794 -10.288 1.00 63.31 O ATOM 0 H GLU A 18 5.374 -16.081 -5.843 1.00 25.41 H new ATOM 0 HA GLU A 18 8.099 -16.134 -6.602 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.751 -17.908 -7.362 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.486 -16.840 -7.937 1.00 74.55 H new ATOM 0 HG2 GLU A 18 6.712 -16.194 -9.859 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.254 -16.627 -9.148 1.00 43.23 H new ATOM 329 N ASP A 19 6.439 -13.570 -7.503 1.00 32.14 N ATOM 330 CA ASP A 19 6.492 -12.295 -8.199 1.00 24.24 C ATOM 331 C ASP A 19 7.628 -11.449 -7.618 1.00 51.31 C ATOM 332 O ASP A 19 8.546 -11.060 -8.338 1.00 42.23 O ATOM 333 CB ASP A 19 5.187 -11.518 -8.022 1.00 51.12 C ATOM 334 CG ASP A 19 4.979 -10.369 -9.013 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.929 -9.659 -9.375 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.765 -10.214 -9.422 1.00 21.13 O ATOM 0 H ASP A 19 5.699 -13.645 -6.805 1.00 32.14 H new ATOM 0 HA ASP A 19 6.653 -12.495 -9.258 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.352 -12.213 -8.114 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.156 -11.115 -7.010 1.00 51.12 H new ATOM 342 N VAL A 20 7.527 -11.191 -6.323 1.00 71.23 N ATOM 343 CA VAL A 20 8.535 -10.399 -5.637 1.00 54.42 C ATOM 344 C VAL A 20 9.922 -10.957 -5.960 1.00 35.23 C ATOM 345 O VAL A 20 10.839 -10.204 -6.285 1.00 13.24 O ATOM 346 CB VAL A 20 8.240 -10.360 -4.137 1.00 4.51 C ATOM 347 CG1 VAL A 20 8.979 -11.481 -3.403 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.588 -8.994 -3.544 1.00 35.51 C ATOM 0 H VAL A 20 6.763 -11.516 -5.730 1.00 71.23 H new ATOM 0 HA VAL A 20 8.511 -9.366 -5.985 1.00 54.42 H new ATOM 0 HB VAL A 20 7.170 -10.520 -4.003 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.752 -11.430 -2.338 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.660 -12.446 -3.797 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.053 -11.366 -3.551 1.00 23.14 H new ATOM 0 HG21 VAL A 20 8.368 -8.994 -2.476 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.648 -8.791 -3.696 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.996 -8.222 -4.036 1.00 35.51 H new ATOM 358 N ARG A 21 10.034 -12.273 -5.858 1.00 73.35 N ATOM 359 CA ARG A 21 11.293 -12.942 -6.134 1.00 12.33 C ATOM 360 C ARG A 21 11.998 -12.278 -7.320 1.00 3.32 C ATOM 361 O ARG A 21 13.225 -12.262 -7.388 1.00 20.04 O ATOM 362 CB ARG A 21 11.075 -14.424 -6.445 1.00 32.23 C ATOM 363 CG ARG A 21 12.406 -15.176 -6.496 1.00 24.21 C ATOM 364 CD ARG A 21 12.181 -16.682 -6.648 1.00 65.53 C ATOM 365 NE ARG A 21 11.772 -17.266 -5.351 1.00 31.50 N ATOM 366 CZ ARG A 21 12.580 -17.359 -4.275 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.851 -16.907 -4.331 1.00 64.10 N ATOM 368 NH2 ARG A 21 12.110 -17.900 -3.165 1.00 2.31 N ATOM 0 H ARG A 21 9.272 -12.895 -5.588 1.00 73.35 H new ATOM 0 HA ARG A 21 11.914 -12.858 -5.242 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.432 -14.868 -5.685 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.559 -14.527 -7.399 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.004 -14.808 -7.330 1.00 24.21 H new ATOM 0 HG3 ARG A 21 12.974 -14.980 -5.586 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.413 -16.869 -7.399 1.00 65.53 H new ATOM 0 HD3 ARG A 21 13.095 -17.161 -7.000 1.00 65.53 H new ATOM 0 HE ARG A 21 10.819 -17.620 -5.265 1.00 31.50 H new ATOM 0 HH11 ARG A 21 14.207 -16.491 -5.192 1.00 64.10 H new ATOM 0 HH12 ARG A 21 14.455 -16.981 -3.513 1.00 64.10 H new ATOM 0 HH21 ARG A 21 11.149 -18.240 -3.131 1.00 2.31 H new ATOM 0 HH22 ARG A 21 12.708 -17.978 -2.343 1.00 2.31 H new ATOM 381 N LEU A 22 11.189 -11.746 -8.225 1.00 21.23 N ATOM 382 CA LEU A 22 11.719 -11.083 -9.404 1.00 44.20 C ATOM 383 C LEU A 22 12.321 -9.736 -8.999 1.00 44.01 C ATOM 384 O LEU A 22 13.526 -9.525 -9.129 1.00 64.33 O ATOM 385 CB LEU A 22 10.644 -10.975 -10.487 1.00 45.15 C ATOM 386 CG LEU A 22 10.132 -12.299 -11.057 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.784 -12.159 -12.540 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.134 -13.428 -10.807 1.00 33.03 C ATOM 0 H LEU A 22 10.171 -11.761 -8.165 1.00 21.23 H new ATOM 0 HA LEU A 22 12.523 -11.673 -9.843 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.796 -10.427 -10.076 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.042 -10.378 -11.308 1.00 45.15 H new ATOM 0 HG LEU A 22 9.213 -12.563 -10.534 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.423 -13.114 -12.921 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.008 -11.403 -12.662 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.673 -11.860 -13.096 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.745 -14.358 -11.222 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.083 -13.185 -11.286 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.289 -13.546 -9.735 1.00 33.03 H new ATOM 400 N ILE A 23 11.454 -8.858 -8.516 1.00 72.43 N ATOM 401 CA ILE A 23 11.885 -7.537 -8.091 1.00 73.03 C ATOM 402 C ILE A 23 13.033 -7.677 -7.090 1.00 50.41 C ATOM 403 O ILE A 23 13.800 -6.738 -6.884 1.00 52.54 O ATOM 404 CB ILE A 23 10.698 -6.732 -7.556 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.242 -5.684 -8.574 1.00 62.53 C ATOM 406 CG2 ILE A 23 11.026 -6.108 -6.198 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.762 -6.348 -9.865 1.00 24.34 C ATOM 0 H ILE A 23 10.455 -9.036 -8.410 1.00 72.43 H new ATOM 0 HA ILE A 23 12.269 -6.971 -8.940 1.00 73.03 H new ATOM 0 HB ILE A 23 9.863 -7.416 -7.403 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.438 -5.084 -8.148 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.065 -5.004 -8.795 1.00 62.53 H new ATOM 0 HG21 ILE A 23 10.166 -5.542 -5.841 1.00 72.53 H new ATOM 0 HG22 ILE A 23 11.264 -6.896 -5.483 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.882 -5.441 -6.301 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.444 -5.582 -10.572 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.576 -6.927 -10.301 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.924 -7.009 -9.644 1.00 24.34 H new ATOM 419 N ARG A 24 13.116 -8.857 -6.494 1.00 12.34 N ATOM 420 CA ARG A 24 14.158 -9.133 -5.520 1.00 45.23 C ATOM 421 C ARG A 24 15.506 -9.313 -6.221 1.00 1.14 C ATOM 422 O ARG A 24 16.543 -8.912 -5.693 1.00 74.04 O ATOM 423 CB ARG A 24 13.839 -10.392 -4.712 1.00 34.14 C ATOM 424 CG ARG A 24 12.891 -10.075 -3.554 1.00 13.13 C ATOM 425 CD ARG A 24 13.660 -9.513 -2.355 1.00 0.34 C ATOM 426 NE ARG A 24 13.739 -8.039 -2.450 1.00 52.12 N ATOM 427 CZ ARG A 24 14.346 -7.252 -1.536 1.00 54.35 C ATOM 428 NH1 ARG A 24 14.933 -7.794 -0.448 1.00 71.43 N ATOM 429 NH2 ARG A 24 14.357 -5.945 -1.722 1.00 1.01 N ATOM 0 H ARG A 24 12.478 -9.634 -6.667 1.00 12.34 H new ATOM 0 HA ARG A 24 14.209 -8.283 -4.840 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.387 -11.141 -5.362 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.762 -10.823 -4.324 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.141 -9.354 -3.880 1.00 13.13 H new ATOM 0 HG3 ARG A 24 12.358 -10.978 -3.258 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.164 -9.800 -1.428 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.663 -9.938 -2.324 1.00 0.34 H new ATOM 0 HE ARG A 24 13.308 -7.589 -3.257 1.00 52.12 H new ATOM 0 HH11 ARG A 24 14.920 -8.805 -0.312 1.00 71.43 H new ATOM 0 HH12 ARG A 24 15.390 -7.193 0.238 1.00 71.43 H new ATOM 0 HH21 ARG A 24 13.911 -5.543 -2.547 1.00 1.01 H new ATOM 0 HH22 ARG A 24 14.811 -5.337 -1.041 1.00 1.01 H new ATOM 442 N GLU A 25 15.448 -9.917 -7.398 1.00 75.54 N ATOM 443 CA GLU A 25 16.651 -10.156 -8.177 1.00 71.24 C ATOM 444 C GLU A 25 16.784 -9.107 -9.283 1.00 4.54 C ATOM 445 O GLU A 25 17.813 -9.034 -9.954 1.00 51.11 O ATOM 446 CB GLU A 25 16.656 -11.571 -8.759 1.00 21.24 C ATOM 447 CG GLU A 25 15.516 -11.755 -9.762 1.00 65.42 C ATOM 448 CD GLU A 25 15.776 -12.957 -10.673 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.822 -14.100 -10.194 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.933 -12.671 -11.921 1.00 50.21 O ATOM 0 H GLU A 25 14.586 -10.248 -7.832 1.00 75.54 H new ATOM 0 HA GLU A 25 17.512 -10.069 -7.515 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.611 -11.763 -9.249 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.558 -12.300 -7.954 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.576 -11.895 -9.228 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.408 -10.853 -10.365 1.00 65.42 H new ATOM 458 N GLN A 26 15.728 -8.322 -9.441 1.00 42.22 N ATOM 459 CA GLN A 26 15.714 -7.281 -10.454 1.00 1.04 C ATOM 460 C GLN A 26 15.934 -5.911 -9.811 1.00 74.23 C ATOM 461 O GLN A 26 16.832 -5.172 -10.208 1.00 72.32 O ATOM 462 CB GLN A 26 14.409 -7.310 -11.251 1.00 4.32 C ATOM 463 CG GLN A 26 14.319 -8.572 -12.113 1.00 11.50 C ATOM 464 CD GLN A 26 13.261 -8.415 -13.206 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.020 -7.337 -13.723 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.644 -9.549 -13.528 1.00 14.23 N ATOM 0 H GLN A 26 14.876 -8.386 -8.884 1.00 42.22 H new ATOM 0 HA GLN A 26 16.531 -7.468 -11.151 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.561 -7.271 -10.568 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.347 -6.426 -11.886 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.289 -8.776 -12.567 1.00 11.50 H new ATOM 0 HG3 GLN A 26 14.074 -9.429 -11.485 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.894 -10.418 -13.056 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.921 -9.550 -14.247 1.00 14.23 H new ATOM 475 N HIS A 27 15.097 -5.614 -8.828 1.00 51.23 N ATOM 476 CA HIS A 27 15.188 -4.345 -8.125 1.00 52.43 C ATOM 477 C HIS A 27 15.503 -4.597 -6.648 1.00 72.33 C ATOM 478 O HIS A 27 14.608 -4.567 -5.806 1.00 1.33 O ATOM 479 CB HIS A 27 13.918 -3.518 -8.328 1.00 21.24 C ATOM 480 CG HIS A 27 13.540 -3.320 -9.777 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.455 -2.069 -10.364 1.00 31.43 N ATOM 482 CD2 HIS A 27 13.226 -4.224 -10.749 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.104 -2.226 -11.633 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.963 -3.562 -11.869 1.00 22.24 N ATOM 0 H HIS A 27 14.353 -6.230 -8.501 1.00 51.23 H new ATOM 0 HA HIS A 27 16.005 -3.754 -8.539 1.00 52.43 H new ATOM 0 HB2 HIS A 27 13.092 -4.006 -7.811 1.00 21.24 H new ATOM 0 HB3 HIS A 27 14.054 -2.542 -7.862 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.196 -5.297 -10.628 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.956 -1.435 -12.353 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.699 -3.983 -12.760 1.00 22.24 H new ATOM 492 N PRO A 28 16.810 -4.847 -6.374 1.00 55.03 N ATOM 493 CA PRO A 28 17.254 -5.104 -5.014 1.00 41.14 C ATOM 494 C PRO A 28 17.293 -3.812 -4.197 1.00 41.12 C ATOM 495 O PRO A 28 17.132 -3.839 -2.977 1.00 74.04 O ATOM 496 CB PRO A 28 18.620 -5.756 -5.162 1.00 22.43 C ATOM 497 CG PRO A 28 19.092 -5.418 -6.567 1.00 40.31 C ATOM 498 CD PRO A 28 17.898 -4.892 -7.347 1.00 2.23 C ATOM 0 HA PRO A 28 16.574 -5.756 -4.466 1.00 41.14 H new ATOM 0 HB2 PRO A 28 19.317 -5.377 -4.414 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.555 -6.835 -5.020 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.885 -4.671 -6.534 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.506 -6.301 -7.053 1.00 40.31 H new ATOM 0 HD2 PRO A 28 18.100 -3.904 -7.761 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.653 -5.545 -8.185 1.00 2.23 H new ATOM 506 N THR A 29 17.510 -2.711 -4.901 1.00 63.23 N ATOM 507 CA THR A 29 17.572 -1.410 -4.255 1.00 35.40 C ATOM 508 C THR A 29 16.180 -0.776 -4.198 1.00 2.51 C ATOM 509 O THR A 29 16.054 0.445 -4.110 1.00 3.01 O ATOM 510 CB THR A 29 18.598 -0.559 -5.006 1.00 72.21 C ATOM 511 OG1 THR A 29 17.951 -0.239 -6.235 1.00 20.14 O ATOM 512 CG2 THR A 29 19.828 -1.363 -5.430 1.00 4.31 C ATOM 0 H THR A 29 17.645 -2.692 -5.912 1.00 63.23 H new ATOM 0 HA THR A 29 17.897 -1.497 -3.218 1.00 35.40 H new ATOM 0 HB THR A 29 18.909 0.274 -4.376 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.546 0.314 -6.784 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.524 -0.712 -5.959 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.316 -1.774 -4.546 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.522 -2.177 -6.087 1.00 4.31 H new ATOM 520 N LYS A 30 15.171 -1.633 -4.249 1.00 73.12 N ATOM 521 CA LYS A 30 13.795 -1.172 -4.205 1.00 13.34 C ATOM 522 C LYS A 30 12.995 -2.060 -3.250 1.00 74.25 C ATOM 523 O LYS A 30 13.431 -3.157 -2.906 1.00 52.32 O ATOM 524 CB LYS A 30 13.208 -1.100 -5.616 1.00 53.11 C ATOM 525 CG LYS A 30 13.953 -0.071 -6.469 1.00 74.24 C ATOM 526 CD LYS A 30 13.236 1.280 -6.450 1.00 31.34 C ATOM 527 CE LYS A 30 13.471 2.043 -7.756 1.00 62.14 C ATOM 528 NZ LYS A 30 14.680 2.891 -7.650 1.00 64.44 N ATOM 0 H LYS A 30 15.280 -2.645 -4.320 1.00 73.12 H new ATOM 0 HA LYS A 30 13.746 -0.156 -3.813 1.00 13.34 H new ATOM 0 HB2 LYS A 30 13.267 -2.080 -6.089 1.00 53.11 H new ATOM 0 HB3 LYS A 30 12.152 -0.836 -5.561 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.970 0.048 -6.096 1.00 74.24 H new ATOM 0 HG3 LYS A 30 14.030 -0.431 -7.495 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.167 1.127 -6.301 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.593 1.874 -5.608 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.585 1.339 -8.580 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.604 2.663 -7.983 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 14.825 3.402 -8.544 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 14.557 3.575 -6.876 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 15.508 2.292 -7.455 1.00 64.44 H new ATOM 541 N ILE A 31 11.838 -1.553 -2.850 1.00 11.23 N ATOM 542 CA ILE A 31 10.973 -2.287 -1.942 1.00 34.53 C ATOM 543 C ILE A 31 9.658 -2.616 -2.652 1.00 61.33 C ATOM 544 O ILE A 31 8.941 -1.718 -3.087 1.00 14.43 O ATOM 545 CB ILE A 31 10.788 -1.513 -0.634 1.00 2.23 C ATOM 546 CG1 ILE A 31 12.139 -1.090 -0.052 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.959 -2.319 0.367 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.811 -2.256 0.675 1.00 43.44 C ATOM 0 H ILE A 31 11.479 -0.643 -3.138 1.00 11.23 H new ATOM 0 HA ILE A 31 11.432 -3.235 -1.662 1.00 34.53 H new ATOM 0 HB ILE A 31 10.232 -0.601 -0.852 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.788 -0.733 -0.852 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.997 -0.259 0.639 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.843 -1.747 1.287 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.977 -2.527 -0.058 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.466 -3.259 0.586 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.769 -1.929 1.079 1.00 43.44 H new ATOM 0 HD12 ILE A 31 12.170 -2.595 1.489 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.973 -3.076 -0.025 1.00 43.44 H new ATOM 560 N PRO A 32 9.375 -3.944 -2.749 1.00 41.13 N ATOM 561 CA PRO A 32 8.160 -4.404 -3.399 1.00 31.23 C ATOM 562 C PRO A 32 6.939 -4.173 -2.505 1.00 60.01 C ATOM 563 O PRO A 32 6.994 -4.415 -1.300 1.00 33.01 O ATOM 564 CB PRO A 32 8.406 -5.873 -3.700 1.00 4.31 C ATOM 565 CG PRO A 32 9.555 -6.296 -2.799 1.00 32.45 C ATOM 566 CD PRO A 32 10.201 -5.037 -2.245 1.00 10.22 C ATOM 0 HA PRO A 32 7.940 -3.855 -4.315 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.514 -6.467 -3.501 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.659 -6.020 -4.750 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.192 -6.927 -1.988 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.283 -6.884 -3.359 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.220 -5.049 -1.155 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.233 -4.941 -2.581 1.00 10.22 H new ATOM 574 N VAL A 33 5.867 -3.710 -3.130 1.00 12.13 N ATOM 575 CA VAL A 33 4.635 -3.444 -2.406 1.00 24.23 C ATOM 576 C VAL A 33 3.441 -3.743 -3.314 1.00 4.32 C ATOM 577 O VAL A 33 3.560 -3.695 -4.538 1.00 1.31 O ATOM 578 CB VAL A 33 4.639 -2.010 -1.875 1.00 41.31 C ATOM 579 CG1 VAL A 33 6.003 -1.646 -1.287 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.231 -1.020 -2.968 1.00 4.04 C ATOM 0 H VAL A 33 5.825 -3.512 -4.130 1.00 12.13 H new ATOM 0 HA VAL A 33 4.554 -4.097 -1.537 1.00 24.23 H new ATOM 0 HB VAL A 33 3.902 -1.948 -1.074 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.978 -0.621 -0.917 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.237 -2.323 -0.465 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.767 -1.734 -2.059 1.00 5.21 H new ATOM 0 HG21 VAL A 33 4.242 -0.008 -2.564 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.932 -1.087 -3.800 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.228 -1.260 -3.320 1.00 4.04 H new ATOM 590 N ILE A 34 2.317 -4.044 -2.681 1.00 53.34 N ATOM 591 CA ILE A 34 1.102 -4.349 -3.416 1.00 0.30 C ATOM 592 C ILE A 34 -0.040 -3.479 -2.890 1.00 63.12 C ATOM 593 O ILE A 34 -0.603 -3.759 -1.832 1.00 30.23 O ATOM 594 CB ILE A 34 0.807 -5.850 -3.363 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.800 -6.636 -4.222 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.644 -6.137 -3.757 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.832 -6.097 -5.654 1.00 42.24 C ATOM 0 H ILE A 34 2.222 -4.083 -1.666 1.00 53.34 H new ATOM 0 HA ILE A 34 1.225 -4.108 -4.472 1.00 0.30 H new ATOM 0 HB ILE A 34 0.935 -6.187 -2.334 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.796 -6.573 -3.783 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.523 -7.690 -4.232 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.828 -7.210 -3.711 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.316 -5.624 -3.069 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.823 -5.781 -4.772 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.545 -6.673 -6.244 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.840 -6.184 -6.098 1.00 42.24 H new ATOM 0 HD13 ILE A 34 2.133 -5.049 -5.642 1.00 42.24 H new ATOM 609 N ILE A 35 -0.350 -2.441 -3.652 1.00 13.32 N ATOM 610 CA ILE A 35 -1.416 -1.527 -3.277 1.00 43.02 C ATOM 611 C ILE A 35 -2.690 -1.894 -4.041 1.00 62.52 C ATOM 612 O ILE A 35 -2.676 -1.997 -5.266 1.00 31.22 O ATOM 613 CB ILE A 35 -0.974 -0.076 -3.478 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.290 0.229 -2.673 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.111 0.894 -3.151 1.00 64.40 C ATOM 616 CD1 ILE A 35 1.065 1.395 -3.290 1.00 12.23 C ATOM 0 H ILE A 35 0.119 -2.212 -4.529 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.643 -1.622 -2.215 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.726 0.063 -4.530 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.021 0.470 -1.645 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.925 -0.656 -2.637 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.770 1.918 -3.302 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -2.960 0.694 -3.805 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.414 0.762 -2.112 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.959 1.591 -2.698 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.353 1.141 -4.310 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.435 2.285 -3.302 1.00 12.23 H new ATOM 628 N GLU A 36 -3.762 -2.082 -3.284 1.00 14.05 N ATOM 629 CA GLU A 36 -5.041 -2.435 -3.875 1.00 10.15 C ATOM 630 C GLU A 36 -6.167 -1.631 -3.222 1.00 32.02 C ATOM 631 O GLU A 36 -5.949 -0.951 -2.221 1.00 33.43 O ATOM 632 CB GLU A 36 -5.302 -3.937 -3.759 1.00 14.40 C ATOM 633 CG GLU A 36 -4.910 -4.663 -5.048 1.00 64.41 C ATOM 634 CD GLU A 36 -6.029 -4.575 -6.089 1.00 73.35 C ATOM 635 OE1 GLU A 36 -7.180 -4.925 -5.793 1.00 11.42 O ATOM 636 OE2 GLU A 36 -5.666 -4.122 -7.242 1.00 2.44 O ATOM 0 H GLU A 36 -3.770 -1.996 -2.268 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.011 -2.186 -4.936 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -4.736 -4.344 -2.921 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.357 -4.111 -3.546 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.997 -4.226 -5.452 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.693 -5.709 -4.829 1.00 64.41 H new ATOM 644 N ARG A 37 -7.348 -1.737 -3.815 1.00 33.23 N ATOM 645 CA ARG A 37 -8.508 -1.028 -3.302 1.00 73.24 C ATOM 646 C ARG A 37 -9.092 -1.766 -2.097 1.00 64.52 C ATOM 647 O ARG A 37 -9.116 -2.996 -2.070 1.00 12.04 O ATOM 648 CB ARG A 37 -9.587 -0.889 -4.379 1.00 51.13 C ATOM 649 CG ARG A 37 -10.171 -2.254 -4.749 1.00 1.41 C ATOM 650 CD ARG A 37 -11.023 -2.159 -6.017 1.00 24.11 C ATOM 651 NE ARG A 37 -11.384 -3.516 -6.486 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.412 -3.781 -7.318 1.00 70.24 C ATOM 653 NH1 ARG A 37 -13.194 -2.781 -7.781 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.645 -5.031 -7.672 1.00 44.03 N ATOM 0 H ARG A 37 -7.526 -2.303 -4.645 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.182 -0.033 -2.998 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.382 -0.235 -4.021 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.162 -0.419 -5.266 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.363 -2.970 -4.902 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -10.778 -2.629 -3.925 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.926 -1.582 -5.816 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.474 -1.630 -6.796 1.00 24.11 H new ATOM 0 HE ARG A 37 -10.820 -4.300 -6.159 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -13.009 -1.818 -7.502 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -13.970 -2.989 -8.410 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.051 -5.781 -7.317 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.419 -5.247 -8.300 1.00 44.03 H new ATOM 667 N TYR A 38 -9.548 -0.986 -1.128 1.00 2.33 N ATOM 668 CA TYR A 38 -10.130 -1.551 0.077 1.00 20.32 C ATOM 669 C TYR A 38 -11.379 -2.373 -0.250 1.00 54.11 C ATOM 670 O TYR A 38 -12.131 -2.029 -1.160 1.00 13.01 O ATOM 671 CB TYR A 38 -10.532 -0.359 0.949 1.00 12.43 C ATOM 672 CG TYR A 38 -11.589 -0.690 2.005 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.915 -0.811 1.640 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.217 -0.868 3.322 1.00 42.23 C ATOM 675 CE1 TYR A 38 -13.910 -1.123 2.634 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.212 -1.179 4.315 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.509 -1.291 3.922 1.00 23.24 C ATOM 678 OH TYR A 38 -14.448 -1.586 4.861 1.00 23.44 O ATOM 0 H TYR A 38 -9.526 0.033 -1.153 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.419 -2.212 0.573 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.644 0.029 1.448 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.911 0.436 0.307 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.206 -0.672 0.609 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.180 -0.774 3.608 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -14.951 -1.221 2.362 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -11.934 -1.320 5.349 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.017 -1.679 5.736 1.00 23.44 H new ATOM 688 N LYS A 39 -11.560 -3.442 0.511 1.00 73.55 N ATOM 689 CA LYS A 39 -12.704 -4.316 0.313 1.00 43.43 C ATOM 690 C LYS A 39 -13.992 -3.514 0.508 1.00 21.11 C ATOM 691 O LYS A 39 -14.493 -3.399 1.626 1.00 3.42 O ATOM 692 CB LYS A 39 -12.602 -5.545 1.218 1.00 73.41 C ATOM 693 CG LYS A 39 -12.307 -5.139 2.664 1.00 61.13 C ATOM 694 CD LYS A 39 -12.763 -6.224 3.642 1.00 10.22 C ATOM 695 CE LYS A 39 -11.590 -7.111 4.062 1.00 52.01 C ATOM 696 NZ LYS A 39 -10.899 -6.534 5.237 1.00 32.44 N ATOM 0 H LYS A 39 -10.934 -3.723 1.266 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.718 -4.700 -0.707 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.534 -6.109 1.178 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -11.814 -6.205 0.854 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.238 -4.961 2.785 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -12.814 -4.202 2.893 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -13.207 -5.761 4.523 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -13.538 -6.835 3.178 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.950 -8.112 4.300 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.889 -7.213 3.234 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -10.105 -7.148 5.509 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -10.539 -5.588 4.998 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -11.567 -6.459 6.031 1.00 32.44 H new ATOM 709 N GLY A 40 -14.492 -2.979 -0.597 1.00 74.45 N ATOM 710 CA GLY A 40 -15.712 -2.192 -0.561 1.00 3.24 C ATOM 711 C GLY A 40 -15.426 -0.724 -0.886 1.00 12.21 C ATOM 712 O GLY A 40 -16.218 0.155 -0.550 1.00 40.33 O ATOM 0 H GLY A 40 -14.074 -3.076 -1.522 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.430 -2.594 -1.276 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.169 -2.268 0.426 1.00 3.24 H new ATOM 716 N GLU A 41 -14.293 -0.505 -1.536 1.00 33.32 N ATOM 717 CA GLU A 41 -13.893 0.842 -1.910 1.00 32.55 C ATOM 718 C GLU A 41 -13.961 1.013 -3.429 1.00 20.11 C ATOM 719 O GLU A 41 -13.089 0.530 -4.151 1.00 31.05 O ATOM 720 CB GLU A 41 -12.493 1.164 -1.383 1.00 62.14 C ATOM 721 CG GLU A 41 -11.882 2.347 -2.138 1.00 52.41 C ATOM 722 CD GLU A 41 -12.919 3.451 -2.358 1.00 41.41 C ATOM 723 OE1 GLU A 41 -13.508 3.950 -1.388 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.102 3.789 -3.590 1.00 34.32 O ATOM 0 H GLU A 41 -13.639 -1.237 -1.814 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.588 1.547 -1.454 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.545 1.395 -0.319 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.851 0.290 -1.488 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.036 2.744 -1.576 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.496 2.009 -3.100 1.00 52.41 H new ATOM 732 N LYS A 42 -15.003 1.702 -3.869 1.00 64.40 N ATOM 733 CA LYS A 42 -15.196 1.941 -5.289 1.00 2.11 C ATOM 734 C LYS A 42 -15.005 3.432 -5.579 1.00 14.01 C ATOM 735 O LYS A 42 -14.560 3.804 -6.664 1.00 33.23 O ATOM 736 CB LYS A 42 -16.549 1.394 -5.747 1.00 13.31 C ATOM 737 CG LYS A 42 -17.655 2.432 -5.550 1.00 45.50 C ATOM 738 CD LYS A 42 -17.802 3.320 -6.788 1.00 43.25 C ATOM 739 CE LYS A 42 -18.815 2.728 -7.769 1.00 4.32 C ATOM 740 NZ LYS A 42 -18.621 1.266 -7.897 1.00 23.20 N ATOM 0 H LYS A 42 -15.723 2.103 -3.267 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.449 1.402 -5.871 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.494 1.111 -6.798 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -16.789 0.491 -5.186 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.600 1.928 -5.346 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.429 3.049 -4.680 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.121 4.318 -6.488 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -16.835 3.428 -7.279 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.828 2.937 -7.425 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -18.705 3.202 -8.744 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -19.339 0.876 -8.541 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -17.673 1.074 -8.278 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -18.715 0.820 -6.962 1.00 23.20 H new ATOM 753 N GLN A 43 -15.351 4.244 -4.592 1.00 63.45 N ATOM 754 CA GLN A 43 -15.224 5.686 -4.728 1.00 43.21 C ATOM 755 C GLN A 43 -13.946 6.035 -5.492 1.00 65.15 C ATOM 756 O GLN A 43 -13.994 6.344 -6.682 1.00 23.23 O ATOM 757 CB GLN A 43 -15.249 6.369 -3.360 1.00 65.43 C ATOM 758 CG GLN A 43 -16.683 6.511 -2.844 1.00 61.32 C ATOM 759 CD GLN A 43 -17.340 7.779 -3.393 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.689 8.675 -3.904 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.663 7.804 -3.259 1.00 61.50 N ATOM 0 H GLN A 43 -15.720 3.931 -3.694 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.077 6.055 -5.297 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.659 5.790 -2.650 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.786 7.353 -3.432 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.267 5.638 -3.137 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.680 6.541 -1.754 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.146 7.020 -2.821 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.194 8.608 -3.594 1.00 61.50 H new ATOM 770 N LEU A 44 -12.832 5.976 -4.777 1.00 70.13 N ATOM 771 CA LEU A 44 -11.542 6.282 -5.374 1.00 74.32 C ATOM 772 C LEU A 44 -11.321 5.383 -6.591 1.00 11.20 C ATOM 773 O LEU A 44 -11.912 4.308 -6.689 1.00 43.35 O ATOM 774 CB LEU A 44 -10.431 6.184 -4.326 1.00 23.41 C ATOM 775 CG LEU A 44 -10.560 7.119 -3.122 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.688 6.322 -1.822 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.401 8.115 -3.072 1.00 10.25 C ATOM 0 H LEU A 44 -12.796 5.721 -3.790 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.522 7.312 -5.731 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.392 5.158 -3.961 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.478 6.384 -4.816 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.476 7.699 -3.237 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.778 7.010 -0.981 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -11.574 5.688 -1.869 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.803 5.699 -1.688 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.519 8.767 -2.206 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.459 7.573 -2.993 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.398 8.716 -3.981 1.00 10.25 H new ATOM 789 N PRO A 45 -10.445 5.867 -7.512 1.00 31.11 N ATOM 790 CA PRO A 45 -10.139 5.118 -8.719 1.00 72.02 C ATOM 791 C PRO A 45 -9.216 3.937 -8.412 1.00 4.31 C ATOM 792 O PRO A 45 -8.618 3.874 -7.339 1.00 31.03 O ATOM 793 CB PRO A 45 -9.512 6.131 -9.662 1.00 14.10 C ATOM 794 CG PRO A 45 -9.066 7.293 -8.789 1.00 24.31 C ATOM 795 CD PRO A 45 -9.727 7.135 -7.429 1.00 12.34 C ATOM 0 HA PRO A 45 -11.023 4.668 -9.170 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -8.667 5.697 -10.196 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.229 6.460 -10.414 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -7.981 7.300 -8.687 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.349 8.242 -9.243 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.987 7.120 -6.628 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.406 7.962 -7.220 1.00 12.34 H new ATOM 803 N VAL A 46 -9.130 3.029 -9.374 1.00 55.41 N ATOM 804 CA VAL A 46 -8.290 1.853 -9.219 1.00 62.40 C ATOM 805 C VAL A 46 -6.841 2.220 -9.547 1.00 24.11 C ATOM 806 O VAL A 46 -6.551 2.694 -10.644 1.00 23.43 O ATOM 807 CB VAL A 46 -8.827 0.710 -10.083 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.020 -0.571 -9.860 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.315 0.474 -9.816 1.00 2.32 C ATOM 0 H VAL A 46 -9.628 3.084 -10.263 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.311 1.501 -8.187 1.00 62.40 H new ATOM 0 HB VAL A 46 -8.716 0.999 -11.128 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.422 -1.368 -10.486 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -6.977 -0.394 -10.123 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.085 -0.864 -8.812 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.672 -0.343 -10.443 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.460 0.217 -8.767 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -10.875 1.380 -10.048 1.00 2.32 H new ATOM 819 N LEU A 47 -5.971 1.987 -8.576 1.00 70.21 N ATOM 820 CA LEU A 47 -4.560 2.287 -8.747 1.00 52.54 C ATOM 821 C LEU A 47 -4.128 1.899 -10.162 1.00 0.41 C ATOM 822 O LEU A 47 -4.573 0.882 -10.693 1.00 44.05 O ATOM 823 CB LEU A 47 -3.732 1.619 -7.646 1.00 21.34 C ATOM 824 CG LEU A 47 -2.573 2.444 -7.085 1.00 14.51 C ATOM 825 CD1 LEU A 47 -1.893 3.256 -8.189 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.040 3.329 -5.927 1.00 2.31 C ATOM 0 H LEU A 47 -6.216 1.594 -7.667 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.383 3.357 -8.642 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.399 1.360 -6.824 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.331 0.684 -8.037 1.00 21.34 H new ATOM 0 HG LEU A 47 -1.827 1.757 -6.685 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.073 3.833 -7.763 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.504 2.580 -8.951 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.617 3.934 -8.641 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.197 3.905 -5.546 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -3.815 4.010 -6.279 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -3.441 2.703 -5.130 1.00 2.31 H new ATOM 838 N ASP A 48 -3.268 2.729 -10.733 1.00 34.23 N ATOM 839 CA ASP A 48 -2.772 2.486 -12.077 1.00 65.12 C ATOM 840 C ASP A 48 -2.459 0.997 -12.238 1.00 61.25 C ATOM 841 O ASP A 48 -2.777 0.399 -13.265 1.00 1.55 O ATOM 842 CB ASP A 48 -1.486 3.271 -12.340 1.00 32.20 C ATOM 843 CG ASP A 48 -1.187 3.547 -13.815 1.00 54.14 C ATOM 844 OD1 ASP A 48 -0.553 4.555 -14.161 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.640 2.662 -14.638 1.00 33.14 O ATOM 0 H ASP A 48 -2.902 3.571 -10.289 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.539 2.805 -12.783 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.545 4.223 -11.812 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.648 2.721 -11.912 1.00 32.20 H new ATOM 851 N LYS A 49 -1.838 0.441 -11.208 1.00 34.30 N ATOM 852 CA LYS A 49 -1.477 -0.966 -11.222 1.00 13.11 C ATOM 853 C LYS A 49 -1.550 -1.521 -9.798 1.00 55.44 C ATOM 854 O LYS A 49 -2.090 -0.873 -8.902 1.00 64.03 O ATOM 855 CB LYS A 49 -0.114 -1.163 -11.889 1.00 53.23 C ATOM 856 CG LYS A 49 1.019 -0.722 -10.961 1.00 52.12 C ATOM 857 CD LYS A 49 1.216 0.794 -11.019 1.00 15.23 C ATOM 858 CE LYS A 49 1.789 1.221 -12.372 1.00 51.44 C ATOM 859 NZ LYS A 49 0.697 1.509 -13.329 1.00 4.25 N ATOM 0 H LYS A 49 -1.576 0.940 -10.358 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.186 -1.535 -11.824 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.016 -2.212 -12.155 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.073 -0.591 -12.816 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.795 -1.024 -9.938 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.944 -1.224 -11.246 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.263 1.295 -10.849 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.888 1.108 -10.220 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.413 2.106 -12.246 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.429 0.433 -12.768 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.828 0.936 -14.187 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.218 1.275 -12.893 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.713 2.518 -13.580 1.00 4.25 H new ATOM 872 N THR A 50 -1.001 -2.715 -9.634 1.00 62.40 N ATOM 873 CA THR A 50 -0.998 -3.366 -8.334 1.00 12.42 C ATOM 874 C THR A 50 0.433 -3.503 -7.810 1.00 13.32 C ATOM 875 O THR A 50 0.655 -3.530 -6.601 1.00 13.53 O ATOM 876 CB THR A 50 -1.726 -4.704 -8.473 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.780 -4.432 -9.392 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.448 -5.114 -7.187 1.00 4.14 C ATOM 0 H THR A 50 -0.555 -3.249 -10.380 1.00 62.40 H new ATOM 0 HA THR A 50 -1.527 -2.769 -7.591 1.00 12.42 H new ATOM 0 HB THR A 50 -1.012 -5.479 -8.751 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.303 -5.248 -9.541 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.948 -6.070 -7.340 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.724 -5.208 -6.378 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.186 -4.356 -6.927 1.00 4.14 H new ATOM 886 N LYS A 51 1.366 -3.587 -8.747 1.00 63.11 N ATOM 887 CA LYS A 51 2.770 -3.722 -8.395 1.00 2.24 C ATOM 888 C LYS A 51 3.433 -2.343 -8.423 1.00 2.53 C ATOM 889 O LYS A 51 3.299 -1.607 -9.399 1.00 22.21 O ATOM 890 CB LYS A 51 3.452 -4.751 -9.298 1.00 62.34 C ATOM 891 CG LYS A 51 2.733 -6.101 -9.232 1.00 12.21 C ATOM 892 CD LYS A 51 3.733 -7.257 -9.293 1.00 14.34 C ATOM 893 CE LYS A 51 3.739 -7.905 -10.679 1.00 70.11 C ATOM 894 NZ LYS A 51 2.443 -8.570 -10.946 1.00 74.50 N ATOM 0 H LYS A 51 1.178 -3.564 -9.749 1.00 63.11 H new ATOM 0 HA LYS A 51 2.873 -4.105 -7.380 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.460 -4.389 -10.326 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.492 -4.874 -8.995 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.154 -6.164 -8.311 1.00 12.21 H new ATOM 0 HG3 LYS A 51 2.027 -6.182 -10.058 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.732 -6.891 -9.054 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.478 -8.003 -8.540 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.930 -7.148 -11.440 1.00 70.11 H new ATOM 0 HE3 LYS A 51 4.548 -8.633 -10.743 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 2.349 -8.750 -11.966 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 2.403 -9.472 -10.430 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.666 -7.956 -10.629 1.00 74.50 H new ATOM 907 N PHE A 52 4.132 -2.036 -7.341 1.00 55.52 N ATOM 908 CA PHE A 52 4.816 -0.759 -7.230 1.00 12.53 C ATOM 909 C PHE A 52 6.185 -0.926 -6.565 1.00 23.41 C ATOM 910 O PHE A 52 6.309 -1.625 -5.560 1.00 20.35 O ATOM 911 CB PHE A 52 3.943 0.141 -6.354 1.00 64.54 C ATOM 912 CG PHE A 52 2.535 0.369 -6.907 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.577 -0.583 -6.744 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.239 1.525 -7.561 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.271 -0.372 -7.256 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.932 1.736 -8.074 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.025 0.784 -7.911 1.00 13.42 C ATOM 0 H PHE A 52 4.240 -2.649 -6.533 1.00 55.52 H new ATOM 0 HA PHE A 52 4.973 -0.333 -8.221 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.865 -0.301 -5.361 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.437 1.106 -6.236 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.811 -1.500 -6.224 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.998 2.282 -7.690 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.489 -1.129 -7.126 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.698 2.653 -8.594 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.019 0.945 -8.301 1.00 13.42 H new ATOM 927 N LEU A 53 7.176 -0.272 -7.152 1.00 0.05 N ATOM 928 CA LEU A 53 8.530 -0.339 -6.629 1.00 15.10 C ATOM 929 C LEU A 53 8.845 0.954 -5.873 1.00 53.33 C ATOM 930 O LEU A 53 9.106 1.988 -6.486 1.00 23.21 O ATOM 931 CB LEU A 53 9.522 -0.653 -7.749 1.00 22.22 C ATOM 932 CG LEU A 53 9.576 -2.112 -8.209 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.533 -2.280 -9.390 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.933 -3.040 -7.045 1.00 70.04 C ATOM 0 H LEU A 53 7.069 0.307 -7.985 1.00 0.05 H new ATOM 0 HA LEU A 53 8.622 -1.157 -5.915 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.277 -0.030 -8.609 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.518 -0.360 -7.417 1.00 22.22 H new ATOM 0 HG LEU A 53 8.583 -2.398 -8.557 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.552 -3.326 -9.697 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.195 -1.664 -10.223 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.535 -1.970 -9.093 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.965 -4.071 -7.398 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.908 -2.763 -6.645 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.180 -2.948 -6.262 1.00 70.04 H new ATOM 946 N VAL A 54 8.808 0.854 -4.552 1.00 12.25 N ATOM 947 CA VAL A 54 9.086 2.002 -3.706 1.00 54.11 C ATOM 948 C VAL A 54 10.596 2.110 -3.480 1.00 53.14 C ATOM 949 O VAL A 54 11.280 1.097 -3.344 1.00 2.34 O ATOM 950 CB VAL A 54 8.292 1.897 -2.403 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.060 3.279 -1.790 1.00 52.41 C ATOM 952 CG2 VAL A 54 6.966 1.167 -2.626 1.00 33.12 C ATOM 0 H VAL A 54 8.590 -0.005 -4.047 1.00 12.25 H new ATOM 0 HA VAL A 54 8.764 2.922 -4.193 1.00 54.11 H new ATOM 0 HB VAL A 54 8.882 1.312 -1.698 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.493 3.176 -0.865 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.020 3.748 -1.577 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.501 3.899 -2.491 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.421 1.106 -1.684 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.368 1.713 -3.356 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.162 0.161 -2.997 1.00 33.12 H new ATOM 962 N PRO A 55 11.082 3.379 -3.445 1.00 45.33 N ATOM 963 CA PRO A 55 12.499 3.632 -3.237 1.00 0.21 C ATOM 964 C PRO A 55 12.886 3.406 -1.775 1.00 50.22 C ATOM 965 O PRO A 55 12.208 3.886 -0.868 1.00 54.10 O ATOM 966 CB PRO A 55 12.713 5.066 -3.695 1.00 72.21 C ATOM 967 CG PRO A 55 11.337 5.711 -3.705 1.00 64.33 C ATOM 968 CD PRO A 55 10.302 4.603 -3.603 1.00 22.13 C ATOM 0 HA PRO A 55 13.137 2.950 -3.799 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.387 5.595 -3.021 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.165 5.096 -4.686 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.235 6.406 -2.872 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.192 6.286 -4.619 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.636 4.760 -2.754 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.677 4.562 -4.495 1.00 22.13 H new ATOM 976 N ASP A 56 13.977 2.677 -1.591 1.00 15.23 N ATOM 977 CA ASP A 56 14.464 2.382 -0.255 1.00 24.22 C ATOM 978 C ASP A 56 15.343 3.537 0.230 1.00 33.22 C ATOM 979 O ASP A 56 16.034 3.414 1.240 1.00 24.04 O ATOM 980 CB ASP A 56 15.311 1.108 -0.245 1.00 14.44 C ATOM 981 CG ASP A 56 16.796 1.316 -0.544 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.220 1.314 -1.710 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.543 1.489 0.494 1.00 53.21 O ATOM 0 H ASP A 56 14.538 2.282 -2.346 1.00 15.23 H new ATOM 0 HA ASP A 56 13.600 2.246 0.395 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.216 0.634 0.732 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.902 0.412 -0.978 1.00 14.44 H new ATOM 989 N HIS A 57 15.286 4.633 -0.512 1.00 42.54 N ATOM 990 CA HIS A 57 16.068 5.809 -0.171 1.00 33.12 C ATOM 991 C HIS A 57 15.146 6.894 0.387 1.00 34.15 C ATOM 992 O HIS A 57 15.606 7.971 0.765 1.00 74.42 O ATOM 993 CB HIS A 57 16.886 6.285 -1.373 1.00 42.14 C ATOM 994 CG HIS A 57 16.056 6.580 -2.601 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.325 7.745 -2.750 1.00 2.30 N ATOM 996 CD2 HIS A 57 15.852 5.849 -3.735 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.711 7.708 -3.923 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.038 6.531 -4.532 1.00 2.34 N ATOM 0 H HIS A 57 14.710 4.731 -1.348 1.00 42.54 H new ATOM 0 HA HIS A 57 16.788 5.558 0.608 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.435 7.184 -1.093 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.626 5.524 -1.621 1.00 42.14 H new ATOM 0 HD1 HIS A 57 15.268 8.504 -2.071 1.00 2.30 H new ATOM 0 HD2 HIS A 57 16.280 4.881 -3.948 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.065 8.474 -4.326 1.00 52.24 H new ATOM 1006 N VAL A 58 13.861 6.574 0.420 1.00 51.30 N ATOM 1007 CA VAL A 58 12.869 7.508 0.926 1.00 21.42 C ATOM 1008 C VAL A 58 12.151 6.885 2.124 1.00 52.34 C ATOM 1009 O VAL A 58 12.651 5.936 2.728 1.00 3.12 O ATOM 1010 CB VAL A 58 11.914 7.916 -0.198 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.688 8.330 -1.451 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.924 6.793 -0.510 1.00 52.14 C ATOM 0 H VAL A 58 13.483 5.681 0.104 1.00 51.30 H new ATOM 0 HA VAL A 58 13.349 8.422 1.275 1.00 21.42 H new ATOM 0 HB VAL A 58 11.343 8.780 0.143 1.00 42.54 H new ATOM 0 HG11 VAL A 58 11.986 8.615 -2.235 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.334 9.176 -1.217 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.296 7.494 -1.796 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.257 7.109 -1.312 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.470 5.903 -0.821 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.338 6.566 0.381 1.00 52.14 H new ATOM 1022 N ASN A 59 10.989 7.442 2.432 1.00 3.10 N ATOM 1023 CA ASN A 59 10.197 6.953 3.548 1.00 53.34 C ATOM 1024 C ASN A 59 8.806 6.560 3.046 1.00 32.55 C ATOM 1025 O ASN A 59 8.458 6.826 1.897 1.00 53.32 O ATOM 1026 CB ASN A 59 10.027 8.032 4.619 1.00 31.55 C ATOM 1027 CG ASN A 59 11.116 9.100 4.498 1.00 54.00 C ATOM 1028 OD1 ASN A 59 12.282 8.813 4.284 1.00 22.23 O ATOM 1029 ND2 ASN A 59 10.671 10.345 4.648 1.00 14.31 N ATOM 0 H ASN A 59 10.577 8.227 1.928 1.00 3.10 H new ATOM 0 HA ASN A 59 10.715 6.097 3.980 1.00 53.34 H new ATOM 0 HB2 ASN A 59 9.045 8.496 4.521 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.067 7.577 5.609 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.320 11.130 4.586 1.00 14.31 H new ATOM 0 HD22 ASN A 59 9.681 10.515 4.825 1.00 14.31 H new ATOM 1036 N MET A 60 8.047 5.933 3.934 1.00 53.42 N ATOM 1037 CA MET A 60 6.702 5.501 3.595 1.00 63.50 C ATOM 1038 C MET A 60 5.821 6.694 3.219 1.00 72.03 C ATOM 1039 O MET A 60 4.867 6.550 2.456 1.00 33.53 O ATOM 1040 CB MET A 60 6.086 4.767 4.788 1.00 54.13 C ATOM 1041 CG MET A 60 5.449 5.755 5.769 1.00 71.53 C ATOM 1042 SD MET A 60 3.770 6.106 5.278 1.00 50.24 S ATOM 1043 CE MET A 60 3.118 4.446 5.195 1.00 24.12 C ATOM 0 H MET A 60 8.338 5.714 4.887 1.00 53.42 H new ATOM 0 HA MET A 60 6.761 4.832 2.736 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.333 4.061 4.436 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.854 4.186 5.298 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.463 5.339 6.777 1.00 71.53 H new ATOM 0 HG3 MET A 60 6.029 6.678 5.797 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.036 4.473 5.325 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.356 4.010 4.225 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.563 3.840 5.984 1.00 24.12 H new ATOM 1053 N SER A 61 6.173 7.846 3.772 1.00 31.15 N ATOM 1054 CA SER A 61 5.427 9.063 3.503 1.00 60.52 C ATOM 1055 C SER A 61 5.466 9.383 2.008 1.00 5.42 C ATOM 1056 O SER A 61 4.422 9.489 1.364 1.00 42.35 O ATOM 1057 CB SER A 61 5.981 10.239 4.312 1.00 24.14 C ATOM 1058 OG SER A 61 6.031 11.438 3.543 1.00 33.42 O ATOM 0 H SER A 61 6.965 7.962 4.405 1.00 31.15 H new ATOM 0 HA SER A 61 4.392 8.903 3.806 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.359 10.399 5.193 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.982 9.995 4.669 1.00 24.14 H new ATOM 0 HG SER A 61 6.389 12.165 4.094 1.00 33.42 H new ATOM 1064 N GLU A 62 6.680 9.527 1.497 1.00 43.34 N ATOM 1065 CA GLU A 62 6.868 9.831 0.089 1.00 62.30 C ATOM 1066 C GLU A 62 5.923 8.988 -0.768 1.00 2.22 C ATOM 1067 O GLU A 62 5.251 9.510 -1.656 1.00 1.22 O ATOM 1068 CB GLU A 62 8.324 9.619 -0.328 1.00 23.32 C ATOM 1069 CG GLU A 62 9.210 10.766 0.164 1.00 33.21 C ATOM 1070 CD GLU A 62 8.622 11.412 1.421 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.889 10.947 2.539 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.863 12.432 1.206 1.00 22.24 O ATOM 0 H GLU A 62 7.543 9.439 2.033 1.00 43.34 H new ATOM 0 HA GLU A 62 6.629 10.882 -0.070 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.688 8.675 0.077 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.388 9.546 -1.414 1.00 23.32 H new ATOM 0 HG2 GLU A 62 10.211 10.391 0.377 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.311 11.515 -0.621 1.00 33.21 H new ATOM 1080 N LEU A 63 5.902 7.696 -0.472 1.00 75.35 N ATOM 1081 CA LEU A 63 5.052 6.774 -1.205 1.00 71.31 C ATOM 1082 C LEU A 63 3.635 7.346 -1.284 1.00 34.30 C ATOM 1083 O LEU A 63 2.986 7.265 -2.325 1.00 74.31 O ATOM 1084 CB LEU A 63 5.116 5.377 -0.584 1.00 53.52 C ATOM 1085 CG LEU A 63 4.019 4.400 -1.014 1.00 3.21 C ATOM 1086 CD1 LEU A 63 2.721 4.663 -0.248 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.809 4.443 -2.529 1.00 23.34 C ATOM 0 H LEU A 63 6.460 7.267 0.266 1.00 75.35 H new ATOM 0 HA LEU A 63 5.408 6.660 -2.229 1.00 71.31 H new ATOM 0 HB2 LEU A 63 6.083 4.937 -0.828 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.077 5.481 0.500 1.00 53.52 H new ATOM 0 HG LEU A 63 4.343 3.390 -0.763 1.00 3.21 H new ATOM 0 HD11 LEU A 63 1.958 3.956 -0.572 1.00 21.14 H new ATOM 0 HD12 LEU A 63 2.898 4.542 0.821 1.00 21.14 H new ATOM 0 HD13 LEU A 63 2.381 5.680 -0.446 1.00 21.14 H new ATOM 0 HD21 LEU A 63 3.024 3.740 -2.808 1.00 23.34 H new ATOM 0 HD22 LEU A 63 3.516 5.450 -2.827 1.00 23.34 H new ATOM 0 HD23 LEU A 63 4.736 4.170 -3.033 1.00 23.34 H new ATOM 1099 N ILE A 64 3.198 7.914 -0.170 1.00 23.04 N ATOM 1100 CA ILE A 64 1.871 8.502 -0.099 1.00 61.52 C ATOM 1101 C ILE A 64 1.713 9.530 -1.221 1.00 62.30 C ATOM 1102 O ILE A 64 0.875 9.364 -2.107 1.00 14.00 O ATOM 1103 CB ILE A 64 1.609 9.069 1.297 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.945 8.041 2.379 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.172 9.581 1.420 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.254 6.705 2.099 1.00 54.44 C ATOM 0 H ILE A 64 3.740 7.980 0.692 1.00 23.04 H new ATOM 0 HA ILE A 64 1.108 7.740 -0.255 1.00 61.52 H new ATOM 0 HB ILE A 64 2.270 9.923 1.448 1.00 21.21 H new ATOM 0 HG12 ILE A 64 3.024 7.894 2.424 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.634 8.418 3.353 1.00 50.20 H new ATOM 0 HG21 ILE A 64 0.012 9.979 2.422 1.00 30.13 H new ATOM 0 HG22 ILE A 64 0.002 10.368 0.686 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.523 8.761 1.240 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.509 5.992 2.883 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.174 6.851 2.079 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.586 6.319 1.135 1.00 54.44 H new ATOM 1118 N LYS A 65 2.531 10.570 -1.147 1.00 65.21 N ATOM 1119 CA LYS A 65 2.492 11.625 -2.144 1.00 4.50 C ATOM 1120 C LYS A 65 2.409 10.999 -3.539 1.00 41.42 C ATOM 1121 O LYS A 65 1.704 11.508 -4.410 1.00 64.31 O ATOM 1122 CB LYS A 65 3.679 12.574 -1.967 1.00 50.41 C ATOM 1123 CG LYS A 65 3.567 13.353 -0.655 1.00 31.50 C ATOM 1124 CD LYS A 65 4.750 14.306 -0.478 1.00 14.42 C ATOM 1125 CE LYS A 65 5.075 15.023 -1.791 1.00 43.24 C ATOM 1126 NZ LYS A 65 3.885 15.745 -2.295 1.00 21.21 N ATOM 0 H LYS A 65 3.225 10.704 -0.411 1.00 65.21 H new ATOM 0 HA LYS A 65 1.600 12.239 -2.014 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.609 12.005 -1.978 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.721 13.270 -2.805 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.635 13.919 -0.643 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.528 12.657 0.183 1.00 31.50 H new ATOM 0 HD2 LYS A 65 4.519 15.040 0.294 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.623 13.749 -0.137 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.895 15.724 -1.636 1.00 43.24 H new ATOM 0 HE3 LYS A 65 5.411 14.300 -2.534 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 3.548 15.292 -3.168 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 3.132 15.717 -1.578 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 4.137 16.734 -2.493 1.00 21.21 H new ATOM 1139 N ILE A 66 3.138 9.906 -3.707 1.00 54.04 N ATOM 1140 CA ILE A 66 3.154 9.206 -4.980 1.00 32.11 C ATOM 1141 C ILE A 66 1.749 8.687 -5.290 1.00 63.23 C ATOM 1142 O ILE A 66 1.168 9.035 -6.317 1.00 3.21 O ATOM 1143 CB ILE A 66 4.227 8.115 -4.977 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.568 8.666 -4.491 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.342 7.456 -6.353 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.466 9.043 -5.671 1.00 42.45 C ATOM 0 H ILE A 66 3.722 9.488 -2.983 1.00 54.04 H new ATOM 0 HA ILE A 66 3.427 9.887 -5.786 1.00 32.11 H new ATOM 0 HB ILE A 66 3.924 7.340 -4.273 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.400 9.541 -3.863 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.068 7.921 -3.872 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.111 6.684 -6.324 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.386 7.006 -6.622 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.610 8.208 -7.095 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.413 9.432 -5.298 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.652 8.160 -6.283 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.973 9.805 -6.274 1.00 42.45 H new ATOM 1158 N ILE A 67 1.245 7.862 -4.385 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.082 7.291 -4.549 1.00 32.34 C ATOM 1160 C ILE A 67 -1.048 8.383 -5.017 1.00 73.40 C ATOM 1161 O ILE A 67 -1.703 8.236 -6.047 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.525 6.586 -3.265 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.336 5.351 -2.993 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.016 6.247 -3.313 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.149 4.300 -4.088 1.00 74.11 C ATOM 0 H ILE A 67 1.731 7.575 -3.535 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.073 6.521 -5.320 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.377 7.271 -2.430 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.385 5.640 -2.937 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.071 4.924 -2.026 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.305 5.747 -2.389 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.594 7.164 -3.426 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.212 5.588 -4.159 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.772 3.433 -3.870 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.897 3.995 -4.125 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.438 4.722 -5.051 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.105 9.451 -4.235 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.979 10.567 -4.556 1.00 13.42 C ATOM 1179 C ARG A 68 -1.918 10.876 -6.053 1.00 51.22 C ATOM 1180 O ARG A 68 -2.943 10.887 -6.732 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.589 11.818 -3.767 1.00 13.44 C ATOM 1182 CG ARG A 68 -1.185 11.459 -2.335 1.00 12.22 C ATOM 1183 CD ARG A 68 -1.524 12.595 -1.368 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.858 12.043 -0.037 1.00 63.13 N ATOM 1185 CZ ARG A 68 -2.121 12.798 1.051 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -2.092 14.146 0.972 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.409 12.200 2.192 1.00 64.55 N ATOM 0 H ARG A 68 -0.561 9.567 -3.380 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.995 10.281 -4.282 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -0.762 12.324 -4.266 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.426 12.516 -3.748 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -1.698 10.548 -2.026 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.116 11.251 -2.296 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.679 13.278 -1.286 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -2.365 13.173 -1.753 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.892 11.029 0.065 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -1.870 14.600 0.086 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -2.292 14.710 1.798 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -2.430 11.181 2.243 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.610 12.756 3.023 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.704 11.122 -6.525 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.495 11.431 -7.929 1.00 45.24 C ATOM 1202 C ARG A 69 -1.116 10.346 -8.810 1.00 0.14 C ATOM 1203 O ARG A 69 -1.585 10.628 -9.912 1.00 4.20 O ATOM 1204 CB ARG A 69 0.997 11.547 -8.251 1.00 70.32 C ATOM 1205 CG ARG A 69 1.623 12.739 -7.524 1.00 44.21 C ATOM 1206 CD ARG A 69 0.751 13.989 -7.668 1.00 0.22 C ATOM 1207 NE ARG A 69 -0.217 14.062 -6.553 1.00 10.40 N ATOM 1208 CZ ARG A 69 -0.949 15.156 -6.256 1.00 73.23 C ATOM 1209 NH1 ARG A 69 -0.829 16.281 -6.993 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -1.785 15.111 -5.236 1.00 11.44 N ATOM 0 H ARG A 69 0.145 11.113 -5.959 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.975 12.388 -8.133 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.508 10.629 -7.960 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.133 11.660 -9.327 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.750 12.500 -6.468 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.616 12.935 -7.928 1.00 44.21 H new ATOM 0 HD2 ARG A 69 1.378 14.881 -7.675 1.00 0.22 H new ATOM 0 HD3 ARG A 69 0.221 13.965 -8.620 1.00 0.22 H new ATOM 0 HE ARG A 69 -0.339 13.233 -5.971 1.00 10.40 H new ATOM 0 HH11 ARG A 69 -0.182 16.308 -7.781 1.00 43.44 H new ATOM 0 HH12 ARG A 69 -1.386 17.104 -6.762 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.871 14.257 -4.684 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -2.345 15.930 -4.999 1.00 11.44 H new ATOM 1223 N ARG A 70 -1.102 9.127 -8.291 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.659 7.998 -9.017 1.00 12.55 C ATOM 1225 C ARG A 70 -3.185 8.095 -9.059 1.00 23.22 C ATOM 1226 O ARG A 70 -3.787 8.000 -10.129 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.257 6.673 -8.366 1.00 25.13 C ATOM 1228 CG ARG A 70 0.248 6.626 -8.099 1.00 50.40 C ATOM 1229 CD ARG A 70 0.993 5.981 -9.271 1.00 24.25 C ATOM 1230 NE ARG A 70 0.834 6.808 -10.488 1.00 54.32 N ATOM 1231 CZ ARG A 70 0.900 6.322 -11.745 1.00 71.15 C ATOM 1232 NH1 ARG A 70 1.124 5.008 -11.962 1.00 51.00 N ATOM 1233 NH2 ARG A 70 0.745 7.151 -12.761 1.00 40.12 N ATOM 0 H ARG A 70 -0.714 8.896 -7.376 1.00 44.14 H new ATOM 0 HA ARG A 70 -1.262 8.027 -10.032 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.800 6.545 -7.430 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.541 5.844 -9.015 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.624 7.636 -7.936 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.442 6.063 -7.186 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.050 5.877 -9.028 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.607 4.978 -9.450 1.00 24.25 H new ATOM 0 HE ARG A 70 0.664 7.807 -10.369 1.00 54.32 H new ATOM 0 HH11 ARG A 70 1.245 4.374 -11.172 1.00 51.00 H new ATOM 0 HH12 ARG A 70 1.172 4.650 -12.916 1.00 51.00 H new ATOM 0 HH21 ARG A 70 0.578 8.143 -12.589 1.00 40.12 H new ATOM 0 HH22 ARG A 70 0.792 6.800 -13.717 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.768 8.283 -7.885 1.00 54.34 N ATOM 1247 CA LEU A 71 -5.212 8.394 -7.776 1.00 61.25 C ATOM 1248 C LEU A 71 -5.687 9.614 -8.568 1.00 45.53 C ATOM 1249 O LEU A 71 -6.848 9.684 -8.970 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.638 8.413 -6.306 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.570 7.073 -5.572 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -6.959 6.443 -5.449 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -4.570 6.129 -6.243 1.00 31.15 C ATOM 0 H LEU A 71 -3.266 8.361 -7.000 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.695 7.521 -8.214 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -5.009 9.128 -5.775 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.661 8.784 -6.249 1.00 11.24 H new ATOM 0 HG LEU A 71 -5.209 7.257 -4.560 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -6.882 5.491 -4.923 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -7.614 7.113 -4.892 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -7.372 6.275 -6.444 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -4.542 5.184 -5.701 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -4.876 5.947 -7.273 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -3.579 6.583 -6.234 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.765 10.543 -8.772 1.00 1.14 N ATOM 1266 CA GLN A 72 -5.076 11.756 -9.510 1.00 2.32 C ATOM 1267 C GLN A 72 -6.412 12.335 -9.041 1.00 41.52 C ATOM 1268 O GLN A 72 -7.314 12.554 -9.848 1.00 73.52 O ATOM 1269 CB GLN A 72 -5.090 11.492 -11.016 1.00 45.04 C ATOM 1270 CG GLN A 72 -6.114 10.413 -11.374 1.00 10.21 C ATOM 1271 CD GLN A 72 -6.272 10.288 -12.891 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.883 11.156 -13.655 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -6.861 9.162 -13.282 1.00 53.14 N ATOM 0 H GLN A 72 -3.803 10.481 -8.439 1.00 1.14 H new ATOM 0 HA GLN A 72 -4.295 12.490 -9.311 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -5.326 12.413 -11.548 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -4.098 11.180 -11.343 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.800 9.456 -10.958 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -7.076 10.656 -10.923 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -7.163 8.477 -12.589 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -7.011 8.983 -14.275 1.00 53.14 H new ATOM 1282 N LEU A 73 -6.496 12.568 -7.740 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.708 13.117 -7.154 1.00 53.22 C ATOM 1284 C LEU A 73 -7.583 14.640 -7.073 1.00 1.12 C ATOM 1285 O LEU A 73 -6.634 15.218 -7.599 1.00 24.52 O ATOM 1286 CB LEU A 73 -8.003 12.451 -5.809 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.694 10.955 -5.719 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.226 10.576 -4.312 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.894 10.120 -6.169 1.00 40.04 C ATOM 0 H LEU A 73 -5.745 12.387 -7.074 1.00 45.22 H new ATOM 0 HA LEU A 73 -8.570 12.900 -7.785 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -7.431 12.967 -5.038 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -9.058 12.599 -5.577 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.874 10.733 -6.402 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -7.013 9.508 -4.275 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.323 11.135 -4.066 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -8.008 10.815 -3.592 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.648 9.061 -6.095 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.750 10.339 -5.530 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -9.140 10.364 -7.202 1.00 40.04 H new ATOM 1301 N ASN A 74 -8.557 15.246 -6.410 1.00 35.22 N ATOM 1302 CA ASN A 74 -8.569 16.691 -6.252 1.00 74.20 C ATOM 1303 C ASN A 74 -8.296 17.043 -4.789 1.00 51.40 C ATOM 1304 O ASN A 74 -8.016 16.163 -3.977 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.930 17.275 -6.634 1.00 44.21 C ATOM 1306 CG ASN A 74 -9.978 17.631 -8.121 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -9.023 18.123 -8.699 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -11.140 17.355 -8.706 1.00 1.30 N ATOM 0 H ASN A 74 -9.344 14.763 -5.976 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.802 17.108 -6.905 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -10.716 16.556 -6.403 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -10.128 18.165 -6.037 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -11.272 17.555 -9.697 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -11.899 16.943 -8.163 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.389 18.331 -4.496 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.157 18.810 -3.144 1.00 24.42 C ATOM 1317 C ALA A 75 -9.419 18.597 -2.307 1.00 44.43 C ATOM 1318 O ALA A 75 -9.422 18.852 -1.104 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.728 20.278 -3.190 1.00 14.40 C ATOM 0 H ALA A 75 -8.622 19.058 -5.172 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.351 18.249 -2.671 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.554 20.638 -2.176 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.810 20.371 -3.771 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.514 20.872 -3.656 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.462 18.131 -2.978 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.729 17.880 -2.310 1.00 24.12 C ATOM 1327 C ASN A 76 -11.814 16.402 -1.926 1.00 74.34 C ATOM 1328 O ASN A 76 -12.456 16.051 -0.937 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.909 18.197 -3.232 1.00 13.50 C ATOM 1330 CG ASN A 76 -14.182 18.458 -2.424 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.367 19.509 -1.833 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -15.044 17.447 -2.432 1.00 33.55 N ATOM 0 H ASN A 76 -10.456 17.921 -3.976 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.778 18.518 -1.428 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.675 19.070 -3.841 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.073 17.365 -3.917 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -15.924 17.523 -1.922 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -14.826 16.595 -2.948 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.157 15.576 -2.727 1.00 5.11 N ATOM 1340 CA GLN A 77 -11.150 14.144 -2.482 1.00 23.14 C ATOM 1341 C GLN A 77 -10.120 13.794 -1.407 1.00 75.30 C ATOM 1342 O GLN A 77 -9.017 14.339 -1.399 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.881 13.368 -3.772 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.660 11.882 -3.483 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.978 11.191 -3.129 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.914 11.145 -3.910 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.998 10.657 -1.911 1.00 2.12 N ATOM 0 H GLN A 77 -10.626 15.871 -3.546 1.00 5.11 H new ATOM 0 HA GLN A 77 -12.136 13.853 -2.121 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.722 13.488 -4.455 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -10.004 13.779 -4.272 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -10.215 11.401 -4.354 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.953 11.769 -2.661 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -11.179 10.732 -1.308 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.832 10.173 -1.580 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.515 12.888 -0.525 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.639 12.459 0.551 1.00 43.41 C ATOM 1358 C ALA A 78 -9.058 11.084 0.214 1.00 61.31 C ATOM 1359 O ALA A 78 -9.738 10.246 -0.376 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.415 12.456 1.871 1.00 61.34 C ATOM 0 H ALA A 78 -11.431 12.439 -0.534 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.804 13.151 0.664 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.758 12.134 2.679 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.781 13.461 2.080 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.259 11.771 1.795 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.806 10.895 0.604 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.126 9.636 0.350 1.00 50.43 C ATOM 1368 C PHE A 79 -6.234 9.247 1.530 1.00 43.02 C ATOM 1369 O PHE A 79 -5.487 10.076 2.048 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.251 9.843 -0.889 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.984 8.986 -0.905 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -5.070 7.648 -1.137 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.770 9.561 -0.689 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.894 6.854 -1.152 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.595 8.766 -0.703 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.680 7.429 -0.936 1.00 20.55 C ATOM 0 H PHE A 79 -7.245 11.592 1.094 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.857 8.841 0.204 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.840 9.620 -1.779 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.968 10.894 -0.950 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -6.033 7.190 -1.310 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -3.701 10.623 -0.507 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.963 5.792 -1.335 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.632 9.223 -0.528 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.785 6.824 -0.950 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.340 7.986 1.921 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.552 7.477 3.031 1.00 53.43 C ATOM 1388 C PHE A 80 -5.086 6.044 2.762 1.00 1.31 C ATOM 1389 O PHE A 80 -5.904 5.131 2.662 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.459 7.482 4.263 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.621 8.859 4.910 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.524 9.558 5.307 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.863 9.386 5.088 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.674 10.835 5.907 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -8.013 10.664 5.688 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.916 11.362 6.085 1.00 53.22 C ATOM 0 H PHE A 80 -6.960 7.301 1.489 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.667 8.098 3.174 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.442 7.107 3.979 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.055 6.790 5.002 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.538 9.141 5.165 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.735 8.832 4.773 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.802 11.389 6.223 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.999 11.082 5.829 1.00 25.31 H new ATOM 0 HZ PHE A 80 -7.030 12.334 6.541 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.775 5.893 2.651 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.191 4.588 2.396 1.00 10.45 C ATOM 1408 C LEU A 81 -3.016 3.844 3.721 1.00 41.41 C ATOM 1409 O LEU A 81 -2.373 4.349 4.640 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.896 4.728 1.593 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.710 3.739 0.441 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.250 3.690 -0.011 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.240 2.354 0.816 1.00 32.24 C ATOM 0 H LEU A 81 -3.100 6.653 2.733 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.858 3.986 1.779 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.851 5.739 1.188 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.054 4.620 2.277 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.298 4.090 -0.407 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.147 2.979 -0.831 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.060 4.679 -0.347 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.379 3.377 0.822 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.095 1.670 -0.021 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.700 1.981 1.687 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.303 2.422 1.050 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.598 2.655 3.777 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.514 1.836 4.974 1.00 2.41 C ATOM 1427 C LEU A 82 -2.435 0.768 4.782 1.00 23.30 C ATOM 1428 O LEU A 82 -2.533 -0.063 3.881 1.00 74.12 O ATOM 1429 CB LEU A 82 -4.888 1.264 5.330 1.00 22.52 C ATOM 1430 CG LEU A 82 -5.979 2.290 5.646 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.759 2.918 7.024 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.075 3.347 4.544 1.00 2.33 C ATOM 0 H LEU A 82 -4.130 2.239 3.012 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.215 2.442 5.829 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.228 0.645 4.500 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.774 0.607 6.192 1.00 22.52 H new ATOM 0 HG LEU A 82 -6.937 1.770 5.678 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.548 3.643 7.224 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.781 2.139 7.786 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.791 3.420 7.045 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.858 4.063 4.794 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.122 3.868 4.455 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.314 2.864 3.597 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.431 0.826 5.645 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.334 -0.125 5.582 1.00 54.23 C ATOM 1446 C VAL A 83 -0.716 -1.388 6.358 1.00 0.12 C ATOM 1447 O VAL A 83 -0.739 -1.381 7.588 1.00 11.13 O ATOM 1448 CB VAL A 83 0.953 0.525 6.092 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.930 -0.530 6.614 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.602 1.383 5.005 1.00 25.30 C ATOM 0 H VAL A 83 -1.354 1.517 6.392 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.144 -0.422 4.551 1.00 54.23 H new ATOM 0 HB VAL A 83 0.691 1.180 6.923 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.837 -0.041 6.971 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.468 -1.080 7.434 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.183 -1.221 5.810 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.515 1.834 5.394 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.843 0.759 4.145 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.911 2.169 4.701 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.003 -2.441 5.607 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.382 -3.708 6.209 1.00 22.42 C ATOM 1462 C ASN A 84 -2.804 -3.600 6.764 1.00 41.23 C ATOM 1463 O ASN A 84 -3.271 -4.498 7.462 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.449 -4.067 7.367 1.00 70.52 C ATOM 1465 CG ASN A 84 0.185 -5.444 7.153 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.392 -5.402 6.594 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.383 -6.475 7.473 1.00 73.33 N flip ATOM 0 H ASN A 84 -0.981 -2.443 4.587 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.318 -4.479 5.441 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.333 -3.313 7.456 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.007 -4.061 8.304 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.309 -6.436 7.898 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.068 -7.376 7.316 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.452 -2.493 6.431 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.811 -2.256 6.887 1.00 4.21 C ATOM 1476 C GLY A 85 -4.843 -1.188 7.983 1.00 61.15 C ATOM 1477 O GLY A 85 -5.905 -0.879 8.522 1.00 20.01 O ATOM 0 H GLY A 85 -3.061 -1.751 5.851 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.430 -1.940 6.048 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.238 -3.184 7.266 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.667 -0.655 8.279 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.548 0.371 9.301 1.00 11.12 C ATOM 1483 C HIS A 86 -2.896 1.618 8.702 1.00 50.33 C ATOM 1484 O HIS A 86 -1.846 1.532 8.068 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.795 -0.163 10.521 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.434 -0.735 10.201 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.366 0.050 9.803 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -0.980 -2.020 10.227 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.679 -0.739 9.599 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.297 -2.021 9.862 1.00 4.14 N ATOM 0 H HIS A 86 -2.789 -0.914 7.830 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.539 0.655 9.654 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.678 0.644 11.245 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.399 -0.934 10.999 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.381 1.063 9.687 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.560 -2.890 10.498 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.661 -0.422 9.280 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.894 -2.845 9.790 1.00 4.14 H new ATOM 1498 N SER A 87 -3.548 2.751 8.923 1.00 21.12 N ATOM 1499 CA SER A 87 -3.045 4.016 8.412 1.00 35.33 C ATOM 1500 C SER A 87 -1.631 4.267 8.940 1.00 12.03 C ATOM 1501 O SER A 87 -1.141 3.528 9.790 1.00 44.20 O ATOM 1502 CB SER A 87 -3.970 5.172 8.798 1.00 21.01 C ATOM 1503 OG SER A 87 -4.708 4.891 9.984 1.00 72.54 O ATOM 0 H SER A 87 -4.419 2.819 9.449 1.00 21.12 H new ATOM 0 HA SER A 87 -3.015 3.959 7.324 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.379 6.076 8.944 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.661 5.372 7.979 1.00 21.01 H new ATOM 0 HG SER A 87 -4.755 5.697 10.539 1.00 72.54 H new ATOM 1509 N MET A 88 -1.015 5.315 8.411 1.00 23.44 N ATOM 1510 CA MET A 88 0.333 5.674 8.817 1.00 70.11 C ATOM 1511 C MET A 88 0.352 7.039 9.509 1.00 34.21 C ATOM 1512 O MET A 88 1.255 7.842 9.280 1.00 30.24 O ATOM 1513 CB MET A 88 1.243 5.712 7.588 1.00 23.21 C ATOM 1514 CG MET A 88 0.501 6.268 6.372 1.00 12.04 C ATOM 1515 SD MET A 88 -0.036 7.939 6.696 1.00 73.31 S ATOM 1516 CE MET A 88 -1.773 7.786 6.317 1.00 51.33 C ATOM 0 H MET A 88 -1.425 5.926 7.705 1.00 23.44 H new ATOM 0 HA MET A 88 0.692 4.925 9.523 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.117 6.328 7.798 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.606 4.708 7.369 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.153 6.250 5.498 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.359 5.639 6.142 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.138 8.724 5.898 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.918 6.984 5.593 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.325 7.556 7.228 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.655 7.259 10.341 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.766 8.512 11.067 1.00 62.21 C ATOM 1528 C VAL A 89 0.628 8.966 11.509 1.00 24.13 C ATOM 1529 O VAL A 89 0.893 10.163 11.607 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.740 8.357 12.236 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.049 7.726 13.446 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.374 9.699 12.604 1.00 72.21 C ATOM 0 H VAL A 89 -1.402 6.590 10.528 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.174 9.290 10.422 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.538 7.686 11.919 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -1.764 7.627 14.263 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.669 6.741 13.175 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.221 8.360 13.763 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.062 9.560 13.438 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.593 10.404 12.891 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.919 10.092 11.746 1.00 72.21 H new ATOM 1542 N SER A 90 1.482 7.985 11.761 1.00 43.15 N ATOM 1543 CA SER A 90 2.842 8.268 12.189 1.00 5.54 C ATOM 1544 C SER A 90 3.839 7.639 11.213 1.00 40.34 C ATOM 1545 O SER A 90 4.073 6.432 11.253 1.00 35.33 O ATOM 1546 CB SER A 90 3.090 7.754 13.608 1.00 14.32 C ATOM 1547 OG SER A 90 4.182 8.422 14.234 1.00 2.52 O ATOM 0 H SER A 90 1.259 6.993 11.677 1.00 43.15 H new ATOM 0 HA SER A 90 2.982 9.349 12.194 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.189 7.892 14.206 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.290 6.683 13.576 1.00 14.32 H new ATOM 0 HG SER A 90 4.307 8.067 15.139 1.00 2.52 H new ATOM 1553 N VAL A 91 4.398 8.485 10.362 1.00 73.43 N ATOM 1554 CA VAL A 91 5.365 8.028 9.378 1.00 23.12 C ATOM 1555 C VAL A 91 6.769 8.451 9.813 1.00 2.11 C ATOM 1556 O VAL A 91 7.247 9.517 9.428 1.00 34.04 O ATOM 1557 CB VAL A 91 4.986 8.549 7.991 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.255 9.889 8.089 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.219 8.662 7.092 1.00 15.53 C ATOM 0 H VAL A 91 4.200 9.485 10.333 1.00 73.43 H new ATOM 0 HA VAL A 91 5.359 6.940 9.314 1.00 23.12 H new ATOM 0 HB VAL A 91 4.305 7.829 7.538 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.997 10.237 7.089 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.345 9.765 8.676 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.901 10.622 8.572 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.922 9.035 6.112 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.934 9.351 7.541 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.681 7.681 6.982 1.00 15.53 H new ATOM 1569 N SER A 92 7.391 7.595 10.611 1.00 1.13 N ATOM 1570 CA SER A 92 8.730 7.867 11.103 1.00 51.40 C ATOM 1571 C SER A 92 9.665 6.711 10.741 1.00 74.42 C ATOM 1572 O SER A 92 10.772 6.615 11.269 1.00 22.05 O ATOM 1573 CB SER A 92 8.726 8.093 12.616 1.00 12.45 C ATOM 1574 OG SER A 92 7.546 7.580 13.229 1.00 11.51 O ATOM 0 H SER A 92 6.991 6.712 10.929 1.00 1.13 H new ATOM 0 HA SER A 92 9.090 8.780 10.628 1.00 51.40 H new ATOM 0 HB2 SER A 92 9.601 7.615 13.056 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.808 9.160 12.823 1.00 12.45 H new ATOM 0 HG SER A 92 7.582 7.742 14.195 1.00 11.51 H new ATOM 1580 N THR A 93 9.186 5.862 9.844 1.00 61.14 N ATOM 1581 CA THR A 93 9.965 4.716 9.406 1.00 63.22 C ATOM 1582 C THR A 93 10.100 4.716 7.882 1.00 21.35 C ATOM 1583 O THR A 93 9.175 5.108 7.172 1.00 40.15 O ATOM 1584 CB THR A 93 9.300 3.454 9.958 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.501 3.543 11.365 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.043 2.178 9.555 1.00 72.01 C ATOM 0 H THR A 93 8.268 5.945 9.408 1.00 61.14 H new ATOM 0 HA THR A 93 10.984 4.758 9.791 1.00 63.22 H new ATOM 0 HB THR A 93 8.270 3.402 9.605 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.099 2.764 11.803 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.530 1.311 9.972 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.066 2.098 8.468 1.00 72.01 H new ATOM 0 HG23 THR A 93 11.063 2.215 9.937 1.00 72.01 H new ATOM 1594 N PRO A 94 11.293 4.259 7.411 1.00 14.14 N ATOM 1595 CA PRO A 94 11.561 4.201 5.985 1.00 74.20 C ATOM 1596 C PRO A 94 10.817 3.035 5.333 1.00 15.02 C ATOM 1597 O PRO A 94 10.754 1.942 5.894 1.00 45.33 O ATOM 1598 CB PRO A 94 13.072 4.079 5.874 1.00 44.34 C ATOM 1599 CG PRO A 94 13.553 3.605 7.237 1.00 22.42 C ATOM 1600 CD PRO A 94 12.411 3.787 8.222 1.00 54.04 C ATOM 0 HA PRO A 94 11.206 5.084 5.454 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.350 3.371 5.094 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.523 5.036 5.612 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.856 2.559 7.193 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.425 4.176 7.554 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.168 2.850 8.724 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.669 4.507 8.998 1.00 54.04 H new ATOM 1608 N ILE A 95 10.271 3.306 4.157 1.00 43.23 N ATOM 1609 CA ILE A 95 9.533 2.292 3.422 1.00 11.34 C ATOM 1610 C ILE A 95 10.347 0.996 3.394 1.00 4.52 C ATOM 1611 O ILE A 95 9.784 -0.091 3.268 1.00 11.01 O ATOM 1612 CB ILE A 95 9.152 2.808 2.033 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.129 1.885 1.367 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.394 3.011 1.162 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.786 2.595 1.186 1.00 23.35 C ATOM 0 H ILE A 95 10.325 4.213 3.694 1.00 43.23 H new ATOM 0 HA ILE A 95 8.591 2.068 3.923 1.00 11.34 H new ATOM 0 HB ILE A 95 8.679 3.783 2.149 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.505 1.559 0.398 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.992 0.990 1.974 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.094 3.378 0.180 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.055 3.737 1.635 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.919 2.062 1.050 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.077 1.917 0.711 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.401 2.899 2.159 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.922 3.476 0.559 1.00 23.35 H new ATOM 1627 N SER A 96 11.656 1.154 3.514 1.00 11.42 N ATOM 1628 CA SER A 96 12.552 0.010 3.505 1.00 51.52 C ATOM 1629 C SER A 96 12.289 -0.871 4.727 1.00 41.31 C ATOM 1630 O SER A 96 12.227 -2.094 4.614 1.00 24.42 O ATOM 1631 CB SER A 96 14.016 0.456 3.477 1.00 73.11 C ATOM 1632 OG SER A 96 14.287 1.456 4.456 1.00 50.12 O ATOM 0 H SER A 96 12.118 2.057 3.618 1.00 11.42 H new ATOM 0 HA SER A 96 12.359 -0.567 2.601 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.661 -0.405 3.650 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.259 0.842 2.487 1.00 73.11 H new ATOM 0 HG SER A 96 15.231 1.713 4.408 1.00 50.12 H new ATOM 1638 N GLU A 97 12.141 -0.215 5.868 1.00 73.25 N ATOM 1639 CA GLU A 97 11.885 -0.923 7.111 1.00 22.40 C ATOM 1640 C GLU A 97 10.411 -1.318 7.204 1.00 74.43 C ATOM 1641 O GLU A 97 10.089 -2.491 7.390 1.00 53.53 O ATOM 1642 CB GLU A 97 12.304 -0.081 8.318 1.00 24.31 C ATOM 1643 CG GLU A 97 13.827 0.027 8.411 1.00 14.32 C ATOM 1644 CD GLU A 97 14.252 0.662 9.737 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.093 1.877 9.921 1.00 33.11 O ATOM 1646 OE2 GLU A 97 14.764 -0.156 10.593 1.00 21.14 O ATOM 0 H GLU A 97 12.193 0.800 5.958 1.00 73.25 H new ATOM 0 HA GLU A 97 12.485 -1.833 7.118 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.870 0.916 8.239 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.911 -0.528 9.231 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.272 -0.964 8.319 1.00 14.32 H new ATOM 0 HG3 GLU A 97 14.204 0.624 7.581 1.00 14.32 H new ATOM 1654 N VAL A 98 9.553 -0.318 7.068 1.00 73.03 N ATOM 1655 CA VAL A 98 8.120 -0.547 7.134 1.00 14.31 C ATOM 1656 C VAL A 98 7.776 -1.825 6.365 1.00 14.23 C ATOM 1657 O VAL A 98 6.854 -2.549 6.739 1.00 62.31 O ATOM 1658 CB VAL A 98 7.369 0.682 6.618 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.920 0.333 6.268 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.429 1.826 7.631 1.00 53.40 C ATOM 0 H VAL A 98 9.823 0.653 6.912 1.00 73.03 H new ATOM 0 HA VAL A 98 7.804 -0.694 8.167 1.00 14.31 H new ATOM 0 HB VAL A 98 7.862 1.017 5.705 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.409 1.224 5.904 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.907 -0.434 5.494 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.411 -0.040 7.157 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.888 2.687 7.240 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.974 1.506 8.568 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.469 2.101 7.808 1.00 53.40 H new ATOM 1670 N TYR A 99 8.535 -2.062 5.306 1.00 23.41 N ATOM 1671 CA TYR A 99 8.323 -3.239 4.480 1.00 72.23 C ATOM 1672 C TYR A 99 8.919 -4.485 5.139 1.00 41.42 C ATOM 1673 O TYR A 99 8.264 -5.524 5.216 1.00 44.51 O ATOM 1674 CB TYR A 99 9.058 -2.971 3.165 1.00 73.42 C ATOM 1675 CG TYR A 99 9.461 -4.238 2.409 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.670 -4.847 2.681 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.619 -4.771 1.456 1.00 72.44 C ATOM 1678 CE1 TYR A 99 11.051 -6.040 1.969 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.999 -5.964 0.743 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.197 -6.539 1.036 1.00 12.34 C ATOM 1681 OH TYR A 99 10.556 -7.666 0.363 1.00 34.03 O ATOM 0 H TYR A 99 9.299 -1.459 5.000 1.00 23.41 H new ATOM 0 HA TYR A 99 7.258 -3.418 4.334 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.421 -2.363 2.522 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.953 -2.384 3.374 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.330 -4.429 3.427 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.674 -4.294 1.244 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.993 -6.527 2.172 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.349 -6.392 -0.006 1.00 65.15 H new ATOM 0 HH TYR A 99 9.771 -8.042 -0.087 1.00 34.03 H new ATOM 1691 N GLU A 100 10.153 -4.340 5.598 1.00 24.12 N ATOM 1692 CA GLU A 100 10.844 -5.440 6.247 1.00 10.14 C ATOM 1693 C GLU A 100 10.271 -5.676 7.646 1.00 24.24 C ATOM 1694 O GLU A 100 10.664 -6.617 8.332 1.00 64.34 O ATOM 1695 CB GLU A 100 12.351 -5.181 6.309 1.00 52.12 C ATOM 1696 CG GLU A 100 12.709 -4.312 7.516 1.00 41.55 C ATOM 1697 CD GLU A 100 13.229 -5.167 8.673 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.100 -6.026 8.467 1.00 23.53 O ATOM 1699 OE2 GLU A 100 12.697 -4.914 9.821 1.00 74.24 O ATOM 0 H GLU A 100 10.692 -3.477 5.533 1.00 24.12 H new ATOM 0 HA GLU A 100 10.687 -6.341 5.654 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.884 -6.130 6.368 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.677 -4.689 5.393 1.00 52.12 H new ATOM 0 HG2 GLU A 100 13.466 -3.581 7.231 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.831 -3.752 7.839 1.00 41.55 H new ATOM 1707 N SER A 101 9.349 -4.803 8.028 1.00 23.43 N ATOM 1708 CA SER A 101 8.717 -4.905 9.333 1.00 33.22 C ATOM 1709 C SER A 101 7.231 -5.228 9.171 1.00 63.15 C ATOM 1710 O SER A 101 6.514 -5.379 10.158 1.00 0.10 O ATOM 1711 CB SER A 101 8.896 -3.613 10.133 1.00 23.11 C ATOM 1712 OG SER A 101 10.153 -3.569 10.803 1.00 11.13 O ATOM 0 H SER A 101 9.025 -4.023 7.457 1.00 23.43 H new ATOM 0 HA SER A 101 9.199 -5.712 9.885 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.812 -2.757 9.463 1.00 23.11 H new ATOM 0 HB3 SER A 101 8.092 -3.525 10.864 1.00 23.11 H new ATOM 0 HG SER A 101 10.815 -4.079 10.291 1.00 11.13 H new ATOM 1718 N GLU A 102 6.812 -5.325 7.917 1.00 74.03 N ATOM 1719 CA GLU A 102 5.424 -5.627 7.612 1.00 73.55 C ATOM 1720 C GLU A 102 5.337 -6.832 6.675 1.00 44.54 C ATOM 1721 O GLU A 102 4.693 -7.830 6.999 1.00 34.43 O ATOM 1722 CB GLU A 102 4.718 -4.411 7.010 1.00 0.30 C ATOM 1723 CG GLU A 102 4.614 -3.275 8.030 1.00 75.10 C ATOM 1724 CD GLU A 102 3.393 -3.460 8.933 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.266 -3.146 8.523 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.647 -3.950 10.099 1.00 73.01 O ATOM 0 H GLU A 102 7.410 -5.200 7.100 1.00 74.03 H new ATOM 0 HA GLU A 102 4.914 -5.878 8.542 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.264 -4.067 6.132 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.721 -4.695 6.674 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.519 -3.243 8.637 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.545 -2.320 7.510 1.00 75.10 H new ATOM 1734 N ARG A 103 5.992 -6.702 5.532 1.00 73.01 N ATOM 1735 CA ARG A 103 5.998 -7.768 4.545 1.00 11.32 C ATOM 1736 C ARG A 103 6.058 -9.132 5.236 1.00 10.30 C ATOM 1737 O ARG A 103 6.529 -9.237 6.368 1.00 22.34 O ATOM 1738 CB ARG A 103 7.189 -7.634 3.594 1.00 73.24 C ATOM 1739 CG ARG A 103 8.499 -7.977 4.304 1.00 1.11 C ATOM 1740 CD ARG A 103 8.820 -9.467 4.173 1.00 64.23 C ATOM 1741 NE ARG A 103 10.266 -9.653 3.917 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.791 -10.724 3.286 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.993 -11.717 2.839 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.098 -10.786 3.111 1.00 53.31 N ATOM 0 H ARG A 103 6.524 -5.873 5.266 1.00 73.01 H new ATOM 0 HA ARG A 103 5.077 -7.689 3.968 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.051 -8.295 2.738 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.237 -6.616 3.207 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.312 -7.388 3.880 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.427 -7.708 5.358 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.534 -9.991 5.085 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.239 -9.902 3.360 1.00 64.23 H new ATOM 0 HE ARG A 103 10.906 -8.926 4.238 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.984 -11.662 2.977 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.399 -12.523 2.363 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.694 -10.031 3.451 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.511 -11.588 2.636 1.00 53.31 H new ATOM 1757 N ASP A 104 5.575 -10.141 4.528 1.00 3.22 N ATOM 1758 CA ASP A 104 5.567 -11.493 5.060 1.00 24.23 C ATOM 1759 C ASP A 104 6.563 -12.350 4.277 1.00 52.11 C ATOM 1760 O ASP A 104 7.236 -11.857 3.373 1.00 14.33 O ATOM 1761 CB ASP A 104 4.184 -12.132 4.922 1.00 21.34 C ATOM 1762 CG ASP A 104 3.744 -12.984 6.115 1.00 33.24 C ATOM 1763 OD1 ASP A 104 4.450 -13.076 7.130 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.607 -13.577 5.971 1.00 12.42 O ATOM 0 H ASP A 104 5.186 -10.050 3.590 1.00 3.22 H new ATOM 0 HA ASP A 104 5.837 -11.441 6.115 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.449 -11.342 4.768 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.175 -12.754 4.027 1.00 21.34 H new ATOM 1770 N GLU A 105 6.627 -13.619 4.652 1.00 4.45 N ATOM 1771 CA GLU A 105 7.531 -14.549 3.996 1.00 23.41 C ATOM 1772 C GLU A 105 7.579 -14.270 2.492 1.00 43.50 C ATOM 1773 O GLU A 105 8.659 -14.156 1.913 1.00 71.12 O ATOM 1774 CB GLU A 105 7.121 -15.997 4.271 1.00 74.25 C ATOM 1775 CG GLU A 105 6.963 -16.246 5.773 1.00 61.33 C ATOM 1776 CD GLU A 105 7.260 -17.706 6.122 1.00 54.43 C ATOM 1777 OE1 GLU A 105 8.358 -18.016 6.607 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.302 -18.532 5.871 1.00 31.11 O ATOM 0 H GLU A 105 6.068 -14.025 5.402 1.00 4.45 H new ATOM 0 HA GLU A 105 8.531 -14.404 4.405 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.183 -16.216 3.762 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.871 -16.675 3.863 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.637 -15.592 6.326 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.949 -15.994 6.082 1.00 61.33 H new ATOM 1786 N ASP A 106 6.397 -14.168 1.903 1.00 14.21 N ATOM 1787 CA ASP A 106 6.291 -13.905 0.478 1.00 71.01 C ATOM 1788 C ASP A 106 7.352 -12.880 0.073 1.00 12.41 C ATOM 1789 O ASP A 106 8.108 -13.103 -0.872 1.00 41.35 O ATOM 1790 CB ASP A 106 4.918 -13.328 0.124 1.00 4.22 C ATOM 1791 CG ASP A 106 4.556 -12.031 0.850 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.732 -11.911 2.071 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.065 -11.105 0.098 1.00 55.23 O ATOM 0 H ASP A 106 5.504 -14.263 2.387 1.00 14.21 H new ATOM 0 HA ASP A 106 6.433 -14.848 -0.050 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.882 -13.148 -0.950 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.157 -14.076 0.347 1.00 4.22 H new ATOM 1799 N GLY A 107 7.377 -11.778 0.809 1.00 33.44 N ATOM 1800 CA GLY A 107 8.333 -10.718 0.538 1.00 23.13 C ATOM 1801 C GLY A 107 7.677 -9.571 -0.233 1.00 31.21 C ATOM 1802 O GLY A 107 8.354 -8.822 -0.934 1.00 13.31 O ATOM 0 H GLY A 107 6.750 -11.597 1.593 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.741 -10.343 1.477 1.00 23.13 H new ATOM 0 HA3 GLY A 107 9.169 -11.116 -0.037 1.00 23.13 H new ATOM 1806 N PHE A 108 6.365 -9.469 -0.075 1.00 52.33 N ATOM 1807 CA PHE A 108 5.609 -8.425 -0.747 1.00 14.14 C ATOM 1808 C PHE A 108 4.707 -7.679 0.238 1.00 21.33 C ATOM 1809 O PHE A 108 4.015 -8.300 1.044 1.00 22.32 O ATOM 1810 CB PHE A 108 4.736 -9.113 -1.800 1.00 51.42 C ATOM 1811 CG PHE A 108 4.740 -8.416 -3.162 1.00 70.41 C ATOM 1812 CD1 PHE A 108 5.007 -7.086 -3.246 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.477 -9.130 -4.290 1.00 32.51 C ATOM 1814 CE1 PHE A 108 5.011 -6.441 -4.510 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.481 -8.484 -5.555 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.749 -7.154 -5.639 1.00 4.21 C ATOM 0 H PHE A 108 5.806 -10.092 0.508 1.00 52.33 H new ATOM 0 HA PHE A 108 6.291 -7.701 -1.193 1.00 14.14 H new ATOM 0 HB2 PHE A 108 5.079 -10.140 -1.928 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.711 -9.163 -1.432 1.00 51.42 H new ATOM 0 HD1 PHE A 108 5.216 -6.520 -2.350 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.265 -10.187 -4.224 1.00 32.51 H new ATOM 0 HE1 PHE A 108 5.222 -5.384 -4.576 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.271 -9.050 -6.451 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.754 -6.664 -6.601 1.00 4.21 H new ATOM 1826 N LEU A 109 4.744 -6.359 0.142 1.00 21.41 N ATOM 1827 CA LEU A 109 3.939 -5.522 1.015 1.00 35.21 C ATOM 1828 C LEU A 109 2.499 -5.490 0.499 1.00 20.13 C ATOM 1829 O LEU A 109 2.266 -5.582 -0.706 1.00 53.12 O ATOM 1830 CB LEU A 109 4.570 -4.137 1.162 1.00 71.00 C ATOM 1831 CG LEU A 109 5.234 -3.841 2.509 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.589 -2.359 2.632 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.357 -4.319 3.668 1.00 53.35 C ATOM 0 H LEU A 109 5.319 -5.848 -0.527 1.00 21.41 H new ATOM 0 HA LEU A 109 3.908 -5.941 2.021 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.316 -4.015 0.377 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.798 -3.388 0.988 1.00 71.00 H new ATOM 0 HG LEU A 109 6.168 -4.400 2.560 1.00 51.53 H new ATOM 0 HD11 LEU A 109 6.059 -2.176 3.598 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.279 -2.083 1.835 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.682 -1.760 2.551 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.851 -4.097 4.614 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.396 -3.807 3.632 1.00 53.35 H new ATOM 0 HD23 LEU A 109 4.199 -5.394 3.585 1.00 53.35 H new ATOM 1845 N TYR A 110 1.571 -5.358 1.434 1.00 30.44 N ATOM 1846 CA TYR A 110 0.160 -5.312 1.088 1.00 32.34 C ATOM 1847 C TYR A 110 -0.551 -4.182 1.835 1.00 41.52 C ATOM 1848 O TYR A 110 -0.780 -4.277 3.040 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.427 -6.652 1.535 1.00 11.21 C ATOM 1850 CG TYR A 110 0.184 -7.865 0.832 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.170 -8.159 -0.469 1.00 40.13 C ATOM 1852 CD2 TYR A 110 1.090 -8.665 1.499 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.407 -9.302 -1.131 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.665 -9.808 0.837 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.295 -10.069 -0.445 1.00 64.21 C ATOM 1856 OH TYR A 110 1.839 -11.148 -1.070 1.00 75.44 O ATOM 0 H TYR A 110 1.768 -5.281 2.432 1.00 30.44 H new ATOM 0 HA TYR A 110 0.032 -5.135 0.020 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.285 -6.759 2.610 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.502 -6.644 1.355 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -0.879 -7.533 -0.991 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.368 -8.434 2.517 1.00 65.35 H new ATOM 0 HE1 TYR A 110 0.140 -9.544 -2.149 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.374 -10.443 1.347 1.00 23.30 H new ATOM 0 HH TYR A 110 2.805 -11.167 -0.908 1.00 75.44 H new ATOM 1866 N MET A 111 -0.881 -3.138 1.089 1.00 11.54 N ATOM 1867 CA MET A 111 -1.562 -1.991 1.666 1.00 54.55 C ATOM 1868 C MET A 111 -2.884 -1.720 0.946 1.00 15.42 C ATOM 1869 O MET A 111 -3.010 -1.981 -0.249 1.00 64.01 O ATOM 1870 CB MET A 111 -0.662 -0.757 1.561 1.00 60.14 C ATOM 1871 CG MET A 111 0.808 -1.134 1.760 1.00 4.13 C ATOM 1872 SD MET A 111 1.812 0.341 1.821 1.00 11.21 S ATOM 1873 CE MET A 111 3.311 -0.272 1.070 1.00 41.54 C ATOM 0 H MET A 111 -0.690 -3.062 0.090 1.00 11.54 H new ATOM 0 HA MET A 111 -1.777 -2.208 2.712 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.793 -0.289 0.585 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.957 -0.022 2.309 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.925 -1.702 2.683 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.141 -1.777 0.945 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.174 0.105 1.619 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.312 -1.362 1.096 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.364 0.066 0.035 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.838 -1.201 1.706 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.147 -0.891 1.156 1.00 51.41 C ATOM 1885 C VAL A 112 -5.430 0.602 1.332 1.00 34.21 C ATOM 1886 O VAL A 112 -5.350 1.125 2.442 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.209 -1.782 1.803 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.594 -1.134 1.719 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.217 -3.175 1.171 1.00 14.04 C ATOM 0 H VAL A 112 -3.730 -0.988 2.698 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.172 -1.101 0.087 1.00 51.41 H new ATOM 0 HB VAL A 112 -5.954 -1.894 2.857 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.331 -1.788 2.186 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.579 -0.175 2.237 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.859 -0.977 0.674 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -6.981 -3.787 1.650 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.434 -3.090 0.106 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.241 -3.641 1.306 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.755 1.245 0.221 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.051 2.668 0.238 1.00 64.13 C ATOM 1901 C TYR A 113 -7.549 2.919 0.065 1.00 45.34 C ATOM 1902 O TYR A 113 -8.255 2.102 -0.524 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.303 3.268 -0.955 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.947 2.962 -2.309 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.089 3.634 -2.698 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.387 2.015 -3.141 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.694 3.347 -3.973 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -5.993 1.727 -4.416 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.116 2.408 -4.768 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.689 2.136 -5.972 1.00 43.21 O ATOM 0 H TYR A 113 -5.820 0.807 -0.698 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.749 3.112 1.187 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.244 4.349 -0.828 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.280 2.891 -0.957 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.528 4.375 -2.046 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.494 1.489 -2.837 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.586 3.866 -4.290 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -5.565 0.987 -5.077 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.328 2.844 -6.197 1.00 43.21 H new ATOM 1920 N ALA A 114 -7.992 4.052 0.590 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.394 4.421 0.501 1.00 1.44 C ATOM 1922 C ALA A 114 -9.578 5.843 1.037 1.00 2.12 C ATOM 1923 O ALA A 114 -8.620 6.469 1.486 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.240 3.397 1.260 1.00 12.02 C ATOM 0 H ALA A 114 -7.404 4.727 1.079 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.728 4.415 -0.537 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.292 3.673 1.194 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.096 2.409 0.822 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.935 3.377 2.306 1.00 12.02 H new ATOM 1930 N SER A 115 -10.816 6.309 0.974 1.00 54.31 N ATOM 1931 CA SER A 115 -11.138 7.645 1.447 1.00 61.52 C ATOM 1932 C SER A 115 -11.535 7.594 2.924 1.00 53.55 C ATOM 1933 O SER A 115 -12.349 8.395 3.379 1.00 63.34 O ATOM 1934 CB SER A 115 -12.262 8.267 0.617 1.00 1.23 C ATOM 1935 OG SER A 115 -12.830 9.407 1.257 1.00 60.44 O ATOM 0 H SER A 115 -11.609 5.785 0.603 1.00 54.31 H new ATOM 0 HA SER A 115 -10.252 8.271 1.336 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.874 8.555 -0.360 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.040 7.523 0.444 1.00 1.23 H new ATOM 0 HG SER A 115 -13.165 9.152 2.142 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.939 6.646 3.631 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.219 6.480 5.048 1.00 53.23 C ATOM 1943 C GLN A 116 -9.993 5.923 5.770 1.00 50.42 C ATOM 1944 O GLN A 116 -9.477 4.867 5.402 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.439 5.582 5.264 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.034 4.107 5.299 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.246 3.200 5.075 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -13.228 2.285 4.268 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.297 3.504 5.832 1.00 55.11 N ATOM 0 H GLN A 116 -10.263 5.984 3.250 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.450 7.458 5.470 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.931 5.850 6.199 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -13.162 5.746 4.465 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.284 3.914 4.532 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.574 3.875 6.260 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.245 4.283 6.488 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.155 2.958 5.757 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.559 6.654 6.786 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.402 6.246 7.563 1.00 34.21 C ATOM 1960 C GLU A 117 -8.838 5.754 8.945 1.00 42.32 C ATOM 1961 O GLU A 117 -8.022 5.241 9.711 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.390 7.387 7.683 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.574 7.265 8.971 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.509 8.361 9.052 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.534 8.335 8.288 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.724 9.264 9.949 1.00 14.44 O ATOM 0 H GLU A 117 -9.989 7.528 7.089 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.912 5.423 7.042 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.721 7.376 6.822 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.912 8.344 7.669 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.237 7.333 9.833 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.097 6.286 9.012 1.00 44.23 H new ATOM 1974 N THR A 118 -10.122 5.926 9.222 1.00 32.30 N ATOM 1975 CA THR A 118 -10.675 5.506 10.497 1.00 34.24 C ATOM 1976 C THR A 118 -11.989 4.750 10.286 1.00 33.31 C ATOM 1977 O THR A 118 -13.063 5.269 10.587 1.00 43.32 O ATOM 1978 CB THR A 118 -10.824 6.746 11.381 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.693 7.598 10.640 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.523 7.545 11.491 1.00 11.22 C ATOM 0 H THR A 118 -10.795 6.351 8.584 1.00 32.30 H new ATOM 0 HA THR A 118 -10.011 4.806 11.004 1.00 34.24 H new ATOM 0 HB THR A 118 -11.151 6.446 12.376 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.543 7.137 10.477 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.683 8.414 12.129 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.745 6.916 11.923 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.214 7.875 10.499 1.00 11.22 H new ATOM 2085 N ASP B 337 8.891 -6.169 -14.702 1.00 34.41 N ATOM 2086 CA ASP B 337 9.243 -4.881 -14.128 1.00 41.12 C ATOM 2087 C ASP B 337 7.964 -4.111 -13.794 1.00 44.23 C ATOM 2088 O ASP B 337 7.270 -3.633 -14.690 1.00 22.34 O ATOM 2089 CB ASP B 337 10.056 -4.042 -15.116 1.00 74.41 C ATOM 2090 CG ASP B 337 9.672 -4.222 -16.587 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.599 -5.351 -17.093 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.441 -3.127 -17.228 1.00 24.22 O ATOM 0 HA ASP B 337 9.838 -5.061 -13.233 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.945 -2.990 -14.853 1.00 74.41 H new ATOM 0 HB3 ASP B 337 11.111 -4.290 -14.998 1.00 74.41 H new ATOM 2098 N TRP B 338 7.692 -4.013 -12.500 1.00 31.21 N ATOM 2099 CA TRP B 338 6.508 -3.309 -12.036 1.00 33.50 C ATOM 2100 C TRP B 338 6.697 -1.820 -12.334 1.00 43.13 C ATOM 2101 O TRP B 338 7.424 -1.455 -13.257 1.00 24.04 O ATOM 2102 CB TRP B 338 6.246 -3.595 -10.556 1.00 13.13 C ATOM 2103 CG TRP B 338 6.598 -5.020 -10.126 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.777 -6.097 -10.903 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.808 -5.482 -8.775 1.00 60.44 C ATOM 2106 NE1 TRP B 338 7.086 -7.215 -10.156 1.00 24.21 N ATOM 2107 CE2 TRP B 338 7.105 -6.830 -8.820 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.748 -4.786 -7.555 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.366 -7.596 -7.678 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 7.012 -5.566 -6.423 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.312 -6.923 -6.452 1.00 22.23 C ATOM 0 H TRP B 338 8.271 -4.409 -11.759 1.00 31.21 H new ATOM 0 HA TRP B 338 5.619 -3.659 -12.561 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.821 -2.892 -9.953 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.193 -3.411 -10.342 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.690 -6.091 -11.979 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.267 -8.152 -10.517 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.517 -3.733 -7.496 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.597 -8.649 -7.740 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.980 -5.079 -5.459 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.503 -7.456 -5.532 1.00 22.23 H new ATOM 2122 N THR B 339 6.031 -1.001 -11.534 1.00 11.15 N ATOM 2123 CA THR B 339 6.116 0.441 -11.699 1.00 63.24 C ATOM 2124 C THR B 339 7.153 1.027 -10.739 1.00 75.25 C ATOM 2125 O THR B 339 7.455 0.431 -9.706 1.00 55.55 O ATOM 2126 CB THR B 339 4.714 1.022 -11.510 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.576 1.951 -12.581 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.603 1.885 -10.251 1.00 73.05 C ATOM 0 H THR B 339 5.430 -1.308 -10.769 1.00 11.15 H new ATOM 0 HA THR B 339 6.460 0.706 -12.699 1.00 63.24 H new ATOM 0 HB THR B 339 3.988 0.210 -11.459 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.325 2.828 -12.223 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.588 2.273 -10.164 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.837 1.281 -9.374 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.305 2.716 -10.317 1.00 73.05 H new ATOM 2136 N HIS B 340 7.669 2.189 -11.113 1.00 23.10 N ATOM 2137 CA HIS B 340 8.665 2.863 -10.297 1.00 53.35 C ATOM 2138 C HIS B 340 8.052 4.117 -9.672 1.00 55.35 C ATOM 2139 O HIS B 340 7.426 4.919 -10.363 1.00 75.31 O ATOM 2140 CB HIS B 340 9.923 3.162 -11.115 1.00 52.13 C ATOM 2141 CG HIS B 340 9.681 3.261 -12.602 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.859 2.192 -13.463 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.271 4.310 -13.370 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.567 2.593 -14.692 1.00 52.42 C ATOM 2145 NE2 HIS B 340 9.204 3.905 -14.633 1.00 32.50 N ATOM 0 H HIS B 340 7.416 2.681 -11.970 1.00 23.10 H new ATOM 0 HA HIS B 340 8.978 2.209 -9.483 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.357 4.099 -10.765 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.659 2.380 -10.929 1.00 52.13 H new ATOM 0 HD2 HIS B 340 9.040 5.302 -13.012 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.609 1.986 -15.584 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.927 4.481 -15.428 1.00 32.50 H new ATOM 2153 N LEU B 341 8.253 4.247 -8.368 1.00 42.45 N ATOM 2154 CA LEU B 341 7.728 5.390 -7.640 1.00 42.21 C ATOM 2155 C LEU B 341 8.839 6.426 -7.457 1.00 60.12 C ATOM 2156 O LEU B 341 9.896 6.118 -6.909 1.00 1.40 O ATOM 2157 CB LEU B 341 7.085 4.940 -6.327 1.00 45.14 C ATOM 2158 CG LEU B 341 5.802 4.115 -6.457 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.864 4.371 -5.276 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.117 4.375 -7.800 1.00 55.44 C ATOM 0 H LEU B 341 8.772 3.580 -7.797 1.00 42.45 H new ATOM 0 HA LEU B 341 6.933 5.871 -8.209 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.816 4.354 -5.770 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.865 5.826 -5.731 1.00 45.14 H new ATOM 0 HG LEU B 341 6.071 3.059 -6.432 1.00 73.23 H new ATOM 0 HD11 LEU B 341 3.960 3.773 -5.393 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.364 4.095 -4.348 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.598 5.428 -5.245 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.208 3.777 -7.867 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.862 5.432 -7.880 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.792 4.102 -8.611 1.00 55.44 H new ATOM 2172 N SER B 342 8.561 7.634 -7.926 1.00 53.43 N ATOM 2173 CA SER B 342 9.523 8.717 -7.821 1.00 62.22 C ATOM 2174 C SER B 342 8.891 9.910 -7.101 1.00 15.10 C ATOM 2175 O SER B 342 7.822 10.378 -7.487 1.00 21.54 O ATOM 2176 CB SER B 342 10.031 9.139 -9.201 1.00 33.03 C ATOM 2177 OG SER B 342 9.930 8.083 -10.153 1.00 21.10 O ATOM 0 H SER B 342 7.683 7.886 -8.380 1.00 53.43 H new ATOM 0 HA SER B 342 10.376 8.361 -7.243 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.459 9.998 -9.551 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.070 9.458 -9.123 1.00 33.03 H new ATOM 0 HG SER B 342 10.262 8.393 -11.021 1.00 21.10 H new ATOM 2183 N SER B 343 9.581 10.367 -6.065 1.00 0.25 N ATOM 2184 CA SER B 343 9.100 11.497 -5.288 1.00 53.03 C ATOM 2185 C SER B 343 9.589 12.806 -5.909 1.00 5.52 C ATOM 2186 O SER B 343 9.482 13.867 -5.296 1.00 30.55 O ATOM 2187 CB SER B 343 9.558 11.397 -3.831 1.00 24.32 C ATOM 2188 OG SER B 343 10.173 12.601 -3.380 1.00 14.53 O ATOM 0 H SER B 343 10.468 9.976 -5.747 1.00 0.25 H new ATOM 0 HA SER B 343 8.010 11.482 -5.301 1.00 53.03 H new ATOM 0 HB2 SER B 343 8.702 11.168 -3.197 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.261 10.570 -3.728 1.00 24.32 H new ATOM 0 HG SER B 343 9.627 13.368 -3.650 1.00 14.53 H new ATOM 2194 N LYS B 344 10.116 12.689 -7.119 1.00 41.31 N ATOM 2195 CA LYS B 344 10.622 13.851 -7.831 1.00 25.42 C ATOM 2196 C LYS B 344 9.605 14.277 -8.890 1.00 71.41 C ATOM 2197 O LYS B 344 9.565 15.441 -9.286 1.00 5.30 O ATOM 2198 CB LYS B 344 12.016 13.568 -8.394 1.00 31.02 C ATOM 2199 CG LYS B 344 12.112 12.138 -8.927 1.00 5.42 C ATOM 2200 CD LYS B 344 12.629 11.184 -7.849 1.00 64.43 C ATOM 2201 CE LYS B 344 13.991 11.638 -7.321 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.803 12.216 -8.416 1.00 22.20 N ATOM 0 H LYS B 344 10.204 11.807 -7.625 1.00 41.31 H new ATOM 0 HA LYS B 344 10.744 14.693 -7.150 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.239 14.274 -9.194 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.764 13.721 -7.616 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.132 11.808 -9.270 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.777 12.112 -9.790 1.00 5.42 H new ATOM 0 HD2 LYS B 344 11.914 11.137 -7.027 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.711 10.177 -8.259 1.00 64.43 H new ATOM 0 HE2 LYS B 344 13.854 12.377 -6.532 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.516 10.792 -6.878 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.809 12.190 -8.153 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.658 11.663 -9.285 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.513 13.201 -8.580 1.00 22.20 H new ATOM 2215 N GLU B 345 8.807 13.311 -9.321 1.00 53.15 N ATOM 2216 CA GLU B 345 7.792 13.571 -10.328 1.00 4.44 C ATOM 2217 C GLU B 345 6.463 13.934 -9.662 1.00 23.22 C ATOM 2218 O GLU B 345 5.478 14.211 -10.343 1.00 21.12 O ATOM 2219 CB GLU B 345 7.626 12.373 -11.263 1.00 53.02 C ATOM 2220 CG GLU B 345 8.986 11.865 -11.750 1.00 14.22 C ATOM 2221 CD GLU B 345 9.025 11.786 -13.277 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.330 12.787 -13.942 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.728 10.632 -13.772 1.00 24.43 O ATOM 0 H GLU B 345 8.843 12.347 -8.991 1.00 53.15 H new ATOM 0 HA GLU B 345 8.118 14.418 -10.931 1.00 4.44 H new ATOM 0 HB2 GLU B 345 7.099 11.572 -10.744 1.00 53.02 H new ATOM 0 HB3 GLU B 345 7.012 12.657 -12.118 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.775 12.529 -11.396 1.00 14.22 H new ATOM 0 HG3 GLU B 345 9.184 10.881 -11.326 1.00 14.22 H new ATOM 2231 N VAL B 346 6.479 13.922 -8.337 1.00 4.42 N ATOM 2232 CA VAL B 346 5.288 14.245 -7.569 1.00 33.24 C ATOM 2233 C VAL B 346 5.008 15.745 -7.682 1.00 64.22 C ATOM 2234 O VAL B 346 5.668 16.449 -8.445 1.00 4.44 O ATOM 2235 CB VAL B 346 5.453 13.774 -6.123 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.820 12.291 -6.068 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.490 14.624 -5.385 1.00 13.23 C ATOM 0 H VAL B 346 7.299 13.693 -7.775 1.00 4.42 H new ATOM 0 HA VAL B 346 4.420 13.720 -7.969 1.00 33.24 H new ATOM 0 HB VAL B 346 4.495 13.900 -5.618 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.931 11.982 -5.029 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.032 11.703 -6.539 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.759 12.129 -6.597 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.588 14.269 -4.359 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.452 14.544 -5.891 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.169 15.666 -5.379 1.00 13.23 H new ATOM 2247 N ASP B 347 4.026 16.190 -6.911 1.00 64.45 N ATOM 2248 CA ASP B 347 3.650 17.593 -6.914 1.00 13.23 C ATOM 2249 C ASP B 347 4.464 18.338 -5.854 1.00 41.10 C ATOM 2250 O ASP B 347 5.217 17.724 -5.100 1.00 60.02 O ATOM 2251 CB ASP B 347 2.167 17.766 -6.579 1.00 11.14 C ATOM 2252 CG ASP B 347 1.680 19.216 -6.530 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.468 20.147 -6.307 1.00 44.22 O ATOM 2254 OD2 ASP B 347 0.416 19.374 -6.735 1.00 54.24 O ATOM 0 H ASP B 347 3.480 15.603 -6.280 1.00 64.45 H new ATOM 0 HA ASP B 347 3.844 17.992 -7.910 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.577 17.225 -7.319 1.00 11.14 H new ATOM 0 HB3 ASP B 347 1.971 17.300 -5.613 1.00 11.14 H new