USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=31 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 116 GLN : amide:sc= -0.0285 K(o=-0.024,f=-1) USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.004 USER MOD Set 2.1: A 77 GLN :FLIP amide:sc= 0.0856 F(o=-0.43!,f=0.59) USER MOD Set 2.2: A 115 SER OG : rot 108:sc= 0.504 USER MOD Set 3.1: A 59 ASN :FLIP amide:sc= -0.0547 F(o=-0.68,f=-0.11) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.17) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -7.66! C(o=-10!,f=-7.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= -1.62 (180deg=-3.02!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= -8.81! (180deg=-13.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.191 (180deg=-1.02) USER MOD Single : A 57 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 60 MET CE :methyl 152:sc= -3.15! (180deg=-4.28!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00858) USER MOD Single : A 72 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.2!) USER MOD Single : A 74 ASN : amide:sc= -0.87 K(o=-0.87,f=-3.8!) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.13 F(o=-3.2,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : A 87 SER OG : rot 140:sc= -0.827 USER MOD Single : A 88 MET CE :methyl -150:sc= -1.62 (180deg=-2.93!) USER MOD Single : A 90 SER OG : rot 46:sc= 0.146 USER MOD Single : A 92 SER OG : rot -50:sc= 0.00323 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.923 USER MOD Single : A 99 TYR OH : rot 174:sc= 1.15 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -179:sc= 1.04 USER MOD Single : A 111 MET CE :methyl -121:sc= -2 (180deg=-3.26!) USER MOD Single : A 113 TYR OH : rot 69:sc= 0.968 USER MOD Single : B 339 THR OG1 : rot 80:sc=-0.00222 USER MOD Single : B 340 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 180:sc= 0 USER MOD Single : B 344 LYS NZ :NH3+ -138:sc= -0.081 (180deg=-0.434) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.125 -17.901 -2.747 1.00 41.44 N ATOM 222 CA PHE A 13 1.005 -17.253 -2.102 1.00 63.33 C ATOM 223 C PHE A 13 2.306 -17.544 -2.851 1.00 44.41 C ATOM 224 O PHE A 13 2.948 -16.630 -3.366 1.00 20.03 O ATOM 225 CB PHE A 13 1.105 -17.831 -0.688 1.00 2.14 C ATOM 226 CG PHE A 13 1.651 -16.847 0.349 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.229 -15.555 0.348 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.558 -17.267 1.271 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.737 -14.643 1.311 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.065 -16.355 2.234 1.00 33.33 C ATOM 231 CZ PHE A 13 2.644 -15.061 2.234 1.00 61.43 C ATOM 0 HA PHE A 13 0.857 -16.173 -2.091 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.117 -18.165 -0.372 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.747 -18.712 -0.711 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.508 -15.222 -0.384 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.893 -18.294 1.271 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.403 -13.616 1.310 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.785 -16.688 2.967 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.030 -14.367 2.966 1.00 61.43 H new ATOM 241 N GLU A 14 2.656 -18.822 -2.891 1.00 55.44 N ATOM 242 CA GLU A 14 3.869 -19.244 -3.569 1.00 2.44 C ATOM 243 C GLU A 14 3.900 -18.691 -4.996 1.00 21.01 C ATOM 244 O GLU A 14 4.965 -18.590 -5.603 1.00 32.24 O ATOM 245 CB GLU A 14 3.993 -20.769 -3.571 1.00 3.33 C ATOM 246 CG GLU A 14 2.692 -21.425 -4.037 1.00 34.15 C ATOM 247 CD GLU A 14 2.975 -22.703 -4.829 1.00 72.44 C ATOM 248 OE1 GLU A 14 2.156 -23.106 -5.669 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.092 -23.283 -4.548 1.00 21.22 O ATOM 0 H GLU A 14 2.120 -19.578 -2.465 1.00 55.44 H new ATOM 0 HA GLU A 14 4.724 -18.842 -3.025 1.00 2.44 H new ATOM 0 HB2 GLU A 14 4.811 -21.070 -4.226 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.242 -21.118 -2.569 1.00 3.33 H new ATOM 0 HG2 GLU A 14 2.069 -21.658 -3.174 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.130 -20.726 -4.656 1.00 34.15 H new ATOM 257 N GLN A 15 2.720 -18.346 -5.488 1.00 45.15 N ATOM 258 CA GLN A 15 2.599 -17.804 -6.831 1.00 41.13 C ATOM 259 C GLN A 15 2.842 -16.293 -6.818 1.00 53.54 C ATOM 260 O GLN A 15 3.304 -15.727 -7.808 1.00 72.22 O ATOM 261 CB GLN A 15 1.233 -18.135 -7.433 1.00 53.44 C ATOM 262 CG GLN A 15 1.271 -18.044 -8.960 1.00 54.20 C ATOM 263 CD GLN A 15 -0.144 -18.031 -9.545 1.00 14.33 C ATOM 264 OE1 GLN A 15 -0.583 -17.071 -10.155 1.00 75.04 O ATOM 265 NE2 GLN A 15 -0.830 -19.149 -9.323 1.00 10.33 N ATOM 0 H GLN A 15 1.839 -18.431 -4.981 1.00 45.15 H new ATOM 0 HA GLN A 15 3.359 -18.268 -7.460 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.932 -19.139 -7.132 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.483 -17.447 -7.043 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.801 -17.140 -9.261 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.828 -18.889 -9.364 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.402 -19.916 -8.804 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -1.784 -19.240 -9.672 1.00 10.33 H new ATOM 274 N ARG A 16 2.520 -15.684 -5.687 1.00 3.03 N ATOM 275 CA ARG A 16 2.697 -14.251 -5.532 1.00 14.35 C ATOM 276 C ARG A 16 4.096 -13.943 -4.997 1.00 53.10 C ATOM 277 O ARG A 16 4.596 -12.831 -5.158 1.00 3.11 O ATOM 278 CB ARG A 16 1.653 -13.666 -4.579 1.00 24.11 C ATOM 279 CG ARG A 16 1.912 -12.179 -4.325 1.00 72.42 C ATOM 280 CD ARG A 16 0.600 -11.393 -4.287 1.00 11.40 C ATOM 281 NE ARG A 16 0.763 -10.180 -3.454 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.265 -9.490 -2.914 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.539 -9.889 -3.114 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.004 -8.420 -2.186 1.00 73.11 N ATOM 0 H ARG A 16 2.137 -16.157 -4.869 1.00 3.03 H new ATOM 0 HA ARG A 16 2.572 -13.794 -6.514 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.657 -13.798 -5.001 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.674 -14.209 -3.634 1.00 24.11 H new ATOM 0 HG2 ARG A 16 2.442 -12.055 -3.381 1.00 72.42 H new ATOM 0 HG3 ARG A 16 2.557 -11.780 -5.108 1.00 72.42 H new ATOM 0 HD2 ARG A 16 0.304 -11.113 -5.298 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.197 -12.018 -3.883 1.00 11.40 H new ATOM 0 HE ARG A 16 1.710 -9.845 -3.277 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.732 -10.718 -3.677 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -2.309 -9.362 -2.702 1.00 15.11 H new ATOM 0 HH21 ARG A 16 0.962 -8.126 -2.039 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -0.768 -7.887 -1.771 1.00 73.11 H new ATOM 297 N VAL A 17 4.689 -14.948 -4.369 1.00 23.21 N ATOM 298 CA VAL A 17 6.021 -14.799 -3.808 1.00 72.24 C ATOM 299 C VAL A 17 7.053 -14.835 -4.938 1.00 12.31 C ATOM 300 O VAL A 17 8.045 -14.111 -4.901 1.00 41.11 O ATOM 301 CB VAL A 17 6.264 -15.870 -2.743 1.00 61.12 C ATOM 302 CG1 VAL A 17 5.017 -16.078 -1.880 1.00 70.24 C ATOM 303 CG2 VAL A 17 6.713 -17.187 -3.382 1.00 4.10 C ATOM 0 H VAL A 17 4.271 -15.869 -4.236 1.00 23.21 H new ATOM 0 HA VAL A 17 6.119 -13.835 -3.308 1.00 72.24 H new ATOM 0 HB VAL A 17 7.067 -15.521 -2.094 1.00 61.12 H new ATOM 0 HG11 VAL A 17 5.217 -16.844 -1.131 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.759 -15.143 -1.383 1.00 70.24 H new ATOM 0 HG13 VAL A 17 4.187 -16.395 -2.511 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.879 -17.931 -2.603 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.941 -17.542 -4.065 1.00 4.10 H new ATOM 0 HG23 VAL A 17 7.639 -17.027 -3.934 1.00 4.10 H new ATOM 313 N GLU A 18 6.782 -15.687 -5.916 1.00 25.41 N ATOM 314 CA GLU A 18 7.673 -15.827 -7.055 1.00 5.04 C ATOM 315 C GLU A 18 7.896 -14.469 -7.725 1.00 14.13 C ATOM 316 O GLU A 18 9.036 -14.052 -7.925 1.00 42.13 O ATOM 317 CB GLU A 18 7.129 -16.848 -8.055 1.00 74.55 C ATOM 318 CG GLU A 18 8.268 -17.558 -8.789 1.00 43.23 C ATOM 319 CD GLU A 18 8.640 -18.866 -8.088 1.00 34.23 C ATOM 320 OE1 GLU A 18 9.066 -19.826 -8.750 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.475 -18.866 -6.808 1.00 63.31 O ATOM 0 H GLU A 18 5.958 -16.287 -5.943 1.00 25.41 H new ATOM 0 HA GLU A 18 8.634 -16.196 -6.696 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.515 -17.582 -7.533 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.483 -16.347 -8.776 1.00 74.55 H new ATOM 0 HG2 GLU A 18 7.970 -17.764 -9.817 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.139 -16.905 -8.834 1.00 43.23 H new ATOM 329 N ASP A 19 6.791 -13.818 -8.052 1.00 32.14 N ATOM 330 CA ASP A 19 6.851 -12.516 -8.695 1.00 24.24 C ATOM 331 C ASP A 19 7.909 -11.657 -7.999 1.00 51.31 C ATOM 332 O ASP A 19 8.804 -11.120 -8.650 1.00 42.23 O ATOM 333 CB ASP A 19 5.509 -11.789 -8.594 1.00 51.12 C ATOM 334 CG ASP A 19 5.187 -10.861 -9.766 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.083 -10.904 -10.330 1.00 21.13 O ATOM 336 OD2 ASP A 19 6.137 -10.055 -10.102 1.00 21.13 O ATOM 0 H ASP A 19 5.848 -14.167 -7.884 1.00 32.14 H new ATOM 0 HA ASP A 19 7.099 -12.669 -9.745 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.716 -12.532 -8.510 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.498 -11.205 -7.674 1.00 51.12 H new ATOM 342 N VAL A 20 7.771 -11.555 -6.685 1.00 71.23 N ATOM 343 CA VAL A 20 8.704 -10.771 -5.894 1.00 54.42 C ATOM 344 C VAL A 20 10.135 -11.128 -6.300 1.00 35.23 C ATOM 345 O VAL A 20 10.967 -10.243 -6.496 1.00 13.24 O ATOM 346 CB VAL A 20 8.434 -10.985 -4.403 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.717 -10.819 -3.585 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.339 -10.041 -3.903 1.00 35.51 C ATOM 0 H VAL A 20 7.027 -12.002 -6.149 1.00 71.23 H new ATOM 0 HA VAL A 20 8.568 -9.707 -6.086 1.00 54.42 H new ATOM 0 HB VAL A 20 8.081 -12.008 -4.269 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.498 -10.976 -2.529 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.456 -11.549 -3.915 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.112 -9.813 -3.728 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.167 -10.214 -2.841 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.651 -9.008 -4.057 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.418 -10.228 -4.455 1.00 35.51 H new ATOM 358 N ARG A 21 10.379 -12.425 -6.412 1.00 73.35 N ATOM 359 CA ARG A 21 11.696 -12.909 -6.791 1.00 12.33 C ATOM 360 C ARG A 21 12.250 -12.086 -7.956 1.00 3.32 C ATOM 361 O ARG A 21 13.444 -11.794 -8.002 1.00 20.04 O ATOM 362 CB ARG A 21 11.645 -14.383 -7.196 1.00 32.23 C ATOM 363 CG ARG A 21 13.043 -15.005 -7.178 1.00 24.21 C ATOM 364 CD ARG A 21 13.066 -16.323 -7.957 1.00 65.53 C ATOM 365 NE ARG A 21 13.007 -16.050 -9.411 1.00 31.50 N ATOM 366 CZ ARG A 21 14.065 -15.655 -10.151 1.00 64.23 C ATOM 367 NH1 ARG A 21 15.275 -15.479 -9.577 1.00 64.10 N ATOM 368 NH2 ARG A 21 13.898 -15.440 -11.442 1.00 2.31 N ATOM 0 H ARG A 21 9.687 -13.156 -6.247 1.00 73.35 H new ATOM 0 HA ARG A 21 12.349 -12.804 -5.925 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.992 -14.929 -6.515 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.215 -14.475 -8.193 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.760 -14.309 -7.612 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.353 -15.181 -6.148 1.00 24.21 H new ATOM 0 HD2 ARG A 21 13.972 -16.880 -7.719 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.222 -16.946 -7.660 1.00 65.53 H new ATOM 0 HE ARG A 21 12.111 -16.168 -9.883 1.00 31.50 H new ATOM 0 HH11 ARG A 21 15.394 -15.645 -8.578 1.00 64.10 H new ATOM 0 HH12 ARG A 21 16.069 -15.180 -10.143 1.00 64.10 H new ATOM 0 HH21 ARG A 21 12.980 -15.573 -11.867 1.00 2.31 H new ATOM 0 HH22 ARG A 21 14.687 -15.141 -12.015 1.00 2.31 H new ATOM 381 N LEU A 22 11.355 -11.734 -8.868 1.00 21.23 N ATOM 382 CA LEU A 22 11.740 -10.950 -10.029 1.00 44.20 C ATOM 383 C LEU A 22 12.056 -9.519 -9.591 1.00 44.01 C ATOM 384 O LEU A 22 13.168 -9.035 -9.793 1.00 64.33 O ATOM 385 CB LEU A 22 10.665 -11.038 -11.114 1.00 45.15 C ATOM 386 CG LEU A 22 10.409 -12.431 -11.694 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.027 -12.347 -13.172 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.610 -13.349 -11.464 1.00 33.03 C ATOM 0 H LEU A 22 10.365 -11.977 -8.826 1.00 21.23 H new ATOM 0 HA LEU A 22 12.648 -11.354 -10.478 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.729 -10.660 -10.702 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.946 -10.372 -11.930 1.00 45.15 H new ATOM 0 HG LEU A 22 9.562 -12.870 -11.167 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.851 -13.350 -13.560 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.121 -11.751 -13.280 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.837 -11.879 -13.731 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.402 -14.332 -11.886 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.490 -12.925 -11.948 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.795 -13.445 -10.394 1.00 33.03 H new ATOM 400 N ILE A 23 11.057 -8.880 -8.998 1.00 72.43 N ATOM 401 CA ILE A 23 11.214 -7.514 -8.529 1.00 73.03 C ATOM 402 C ILE A 23 12.501 -7.407 -7.709 1.00 50.41 C ATOM 403 O ILE A 23 13.085 -6.330 -7.602 1.00 52.54 O ATOM 404 CB ILE A 23 9.963 -7.059 -7.776 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.484 -5.696 -8.281 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.204 -7.057 -6.265 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.232 -5.729 -9.789 1.00 24.34 C ATOM 0 H ILE A 23 10.135 -9.284 -8.832 1.00 72.43 H new ATOM 0 HA ILE A 23 11.315 -6.830 -9.372 1.00 73.03 H new ATOM 0 HB ILE A 23 9.165 -7.775 -7.975 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.568 -5.413 -7.762 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.230 -4.936 -8.050 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.299 -6.730 -5.753 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.463 -8.064 -5.937 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.022 -6.376 -6.028 1.00 72.53 H new ATOM 0 HD11 ILE A 23 8.893 -4.748 -10.123 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.155 -5.989 -10.307 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.468 -6.473 -10.014 1.00 24.34 H new ATOM 419 N ARG A 24 12.904 -8.537 -7.148 1.00 12.34 N ATOM 420 CA ARG A 24 14.111 -8.584 -6.339 1.00 45.23 C ATOM 421 C ARG A 24 15.350 -8.591 -7.236 1.00 1.14 C ATOM 422 O ARG A 24 16.373 -8.001 -6.891 1.00 74.04 O ATOM 423 CB ARG A 24 14.128 -9.826 -5.446 1.00 34.14 C ATOM 424 CG ARG A 24 13.566 -9.511 -4.059 1.00 13.13 C ATOM 425 CD ARG A 24 14.288 -8.316 -3.434 1.00 0.34 C ATOM 426 NE ARG A 24 15.723 -8.346 -3.795 1.00 52.12 N ATOM 427 CZ ARG A 24 16.667 -9.006 -3.091 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.335 -9.697 -1.981 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.919 -8.964 -3.505 1.00 1.01 N ATOM 0 H ARG A 24 12.416 -9.428 -7.237 1.00 12.34 H new ATOM 0 HA ARG A 24 14.121 -7.697 -5.706 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.541 -10.619 -5.909 1.00 34.14 H new ATOM 0 HB3 ARG A 24 15.148 -10.198 -5.353 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.500 -9.297 -4.135 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.672 -10.383 -3.413 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.837 -7.386 -3.780 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.177 -8.340 -2.350 1.00 0.34 H new ATOM 0 HE ARG A 24 16.017 -7.836 -4.628 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.365 -9.724 -1.668 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.054 -10.193 -1.455 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.161 -8.439 -4.345 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.645 -9.457 -2.985 1.00 1.01 H new ATOM 442 N GLU A 25 15.218 -9.266 -8.369 1.00 75.54 N ATOM 443 CA GLU A 25 16.315 -9.357 -9.318 1.00 71.24 C ATOM 444 C GLU A 25 16.252 -8.200 -10.316 1.00 4.54 C ATOM 445 O GLU A 25 17.203 -7.964 -11.059 1.00 51.11 O ATOM 446 CB GLU A 25 16.303 -10.705 -10.040 1.00 21.24 C ATOM 447 CG GLU A 25 15.270 -10.714 -11.168 1.00 65.42 C ATOM 448 CD GLU A 25 15.946 -10.893 -12.530 1.00 43.43 C ATOM 449 OE1 GLU A 25 16.162 -9.907 -13.248 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.248 -12.110 -12.832 1.00 50.21 O ATOM 0 H GLU A 25 14.368 -9.755 -8.651 1.00 75.54 H new ATOM 0 HA GLU A 25 17.253 -9.284 -8.768 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.293 -10.912 -10.447 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.078 -11.500 -9.329 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.555 -11.520 -11.004 1.00 65.42 H new ATOM 0 HG3 GLU A 25 14.707 -9.781 -11.157 1.00 65.42 H new ATOM 458 N GLN A 26 15.122 -7.507 -10.300 1.00 42.22 N ATOM 459 CA GLN A 26 14.923 -6.380 -11.195 1.00 1.04 C ATOM 460 C GLN A 26 14.950 -5.067 -10.409 1.00 74.23 C ATOM 461 O GLN A 26 15.178 -4.002 -10.980 1.00 72.32 O ATOM 462 CB GLN A 26 13.615 -6.524 -11.976 1.00 4.32 C ATOM 463 CG GLN A 26 13.631 -7.784 -12.844 1.00 11.50 C ATOM 464 CD GLN A 26 12.603 -7.685 -13.973 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.555 -6.724 -14.722 1.00 21.42 O ATOM 466 NE2 GLN A 26 11.785 -8.731 -14.052 1.00 14.23 N ATOM 0 H GLN A 26 14.335 -7.705 -9.681 1.00 42.22 H new ATOM 0 HA GLN A 26 15.739 -6.366 -11.917 1.00 1.04 H new ATOM 0 HB2 GLN A 26 12.776 -6.567 -11.282 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.464 -5.647 -12.605 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.626 -7.927 -13.265 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.417 -8.657 -12.228 1.00 11.50 H new ATOM 0 HE21 GLN A 26 11.880 -9.503 -13.393 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.063 -8.761 -14.772 1.00 14.23 H new ATOM 475 N HIS A 27 14.714 -5.187 -9.111 1.00 51.23 N ATOM 476 CA HIS A 27 14.708 -4.023 -8.240 1.00 52.43 C ATOM 477 C HIS A 27 14.937 -4.464 -6.793 1.00 72.33 C ATOM 478 O HIS A 27 14.007 -4.467 -5.988 1.00 1.33 O ATOM 479 CB HIS A 27 13.420 -3.218 -8.419 1.00 21.24 C ATOM 480 CG HIS A 27 13.085 -2.906 -9.858 1.00 74.33 C ATOM 481 ND1 HIS A 27 12.488 -3.667 -10.819 1.00 31.43 N flip ATOM 482 CD2 HIS A 27 13.370 -1.686 -10.447 1.00 21.41 C flip ATOM 483 CE1 HIS A 27 12.411 -2.951 -11.934 1.00 74.54 C flip ATOM 484 NE2 HIS A 27 12.957 -1.723 -11.705 1.00 22.24 N flip ATOM 0 H HIS A 27 14.525 -6.072 -8.641 1.00 51.23 H new ATOM 0 HA HIS A 27 15.525 -3.355 -8.513 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.593 -3.773 -7.976 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.509 -2.283 -7.866 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.848 -0.847 -9.963 1.00 21.41 H new ATOM 0 HE1 HIS A 27 11.986 -3.286 -12.869 1.00 74.54 H new ATOM 0 HE2 HIS A 27 13.034 -0.965 -12.384 1.00 22.24 H new ATOM 492 N PRO A 28 16.212 -4.834 -6.500 1.00 55.03 N ATOM 493 CA PRO A 28 16.575 -5.275 -5.164 1.00 41.14 C ATOM 494 C PRO A 28 16.660 -4.090 -4.199 1.00 41.12 C ATOM 495 O PRO A 28 16.436 -4.244 -3.000 1.00 74.04 O ATOM 496 CB PRO A 28 17.900 -5.999 -5.335 1.00 22.43 C ATOM 497 CG PRO A 28 18.458 -5.536 -6.671 1.00 40.31 C ATOM 498 CD PRO A 28 17.339 -4.843 -7.429 1.00 2.23 C ATOM 0 HA PRO A 28 15.830 -5.936 -4.722 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.584 -5.759 -4.521 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.759 -7.080 -5.324 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.295 -4.855 -6.519 1.00 40.31 H new ATOM 0 HG3 PRO A 28 18.837 -6.384 -7.241 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.623 -3.831 -7.717 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.092 -5.377 -8.346 1.00 2.23 H new ATOM 506 N THR A 29 16.985 -2.935 -4.760 1.00 63.23 N ATOM 507 CA THR A 29 17.103 -1.724 -3.965 1.00 35.40 C ATOM 508 C THR A 29 15.754 -1.007 -3.883 1.00 2.51 C ATOM 509 O THR A 29 15.699 0.188 -3.595 1.00 3.01 O ATOM 510 CB THR A 29 18.213 -0.865 -4.574 1.00 72.21 C ATOM 511 OG1 THR A 29 17.608 -0.283 -5.726 1.00 20.14 O ATOM 512 CG2 THR A 29 19.361 -1.704 -5.138 1.00 4.31 C ATOM 0 H THR A 29 17.170 -2.812 -5.755 1.00 63.23 H new ATOM 0 HA THR A 29 17.377 -1.952 -2.935 1.00 35.40 H new ATOM 0 HB THR A 29 18.601 -0.183 -3.817 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.258 0.292 -6.181 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.121 -1.045 -5.558 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.800 -2.303 -4.340 1.00 4.31 H new ATOM 0 HG23 THR A 29 18.981 -2.363 -5.919 1.00 4.31 H new ATOM 520 N LYS A 30 14.700 -1.765 -4.142 1.00 73.12 N ATOM 521 CA LYS A 30 13.355 -1.217 -4.100 1.00 13.34 C ATOM 522 C LYS A 30 12.481 -2.086 -3.193 1.00 74.25 C ATOM 523 O LYS A 30 12.688 -3.295 -3.100 1.00 52.32 O ATOM 524 CB LYS A 30 12.799 -1.055 -5.517 1.00 53.11 C ATOM 525 CG LYS A 30 13.645 -0.073 -6.329 1.00 74.24 C ATOM 526 CD LYS A 30 13.382 1.369 -5.891 1.00 31.34 C ATOM 527 CE LYS A 30 13.487 2.331 -7.077 1.00 62.14 C ATOM 528 NZ LYS A 30 13.833 3.692 -6.612 1.00 64.44 N ATOM 0 H LYS A 30 14.750 -2.755 -4.382 1.00 73.12 H new ATOM 0 HA LYS A 30 13.365 -0.216 -3.668 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.780 -2.023 -6.017 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.769 -0.700 -5.469 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.702 -0.308 -6.204 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.418 -0.182 -7.389 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.390 1.442 -5.446 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.099 1.655 -5.121 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.245 1.975 -7.775 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.541 2.355 -7.618 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 14.435 4.158 -7.320 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.962 4.245 -6.480 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.345 3.631 -5.709 1.00 64.44 H new ATOM 541 N ILE A 31 11.525 -1.436 -2.547 1.00 11.23 N ATOM 542 CA ILE A 31 10.619 -2.135 -1.650 1.00 34.53 C ATOM 543 C ILE A 31 9.314 -2.442 -2.388 1.00 61.33 C ATOM 544 O ILE A 31 8.581 -1.530 -2.765 1.00 14.43 O ATOM 545 CB ILE A 31 10.423 -1.336 -0.360 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.766 -1.042 0.312 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.453 -2.051 0.585 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.350 -2.307 0.947 1.00 43.44 C ATOM 0 H ILE A 31 11.357 -0.433 -2.626 1.00 11.23 H new ATOM 0 HA ILE A 31 11.045 -3.091 -1.345 1.00 34.53 H new ATOM 0 HB ILE A 31 9.975 -0.376 -0.617 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.465 -0.644 -0.423 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.635 -0.275 1.075 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.331 -1.463 1.494 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.486 -2.167 0.095 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.851 -3.034 0.839 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.304 -2.071 1.418 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.659 -2.689 1.699 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.503 -3.063 0.177 1.00 43.44 H new ATOM 560 N PRO A 32 9.058 -3.764 -2.575 1.00 41.13 N ATOM 561 CA PRO A 32 7.855 -4.204 -3.260 1.00 31.23 C ATOM 562 C PRO A 32 6.627 -4.058 -2.359 1.00 60.01 C ATOM 563 O PRO A 32 6.680 -4.382 -1.173 1.00 33.01 O ATOM 564 CB PRO A 32 8.132 -5.644 -3.658 1.00 4.31 C ATOM 565 CG PRO A 32 9.286 -6.104 -2.781 1.00 32.45 C ATOM 566 CD PRO A 32 9.905 -4.872 -2.142 1.00 10.22 C ATOM 0 HA PRO A 32 7.626 -3.600 -4.138 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.252 -6.268 -3.504 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.392 -5.714 -4.714 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.932 -6.794 -2.015 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.027 -6.639 -3.375 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.922 -4.956 -1.055 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.936 -4.733 -2.467 1.00 10.22 H new ATOM 574 N VAL A 33 5.549 -3.571 -2.957 1.00 12.13 N ATOM 575 CA VAL A 33 4.310 -3.379 -2.224 1.00 24.23 C ATOM 576 C VAL A 33 3.128 -3.762 -3.117 1.00 4.32 C ATOM 577 O VAL A 33 3.264 -3.823 -4.338 1.00 1.31 O ATOM 578 CB VAL A 33 4.226 -1.943 -1.704 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.598 -1.444 -1.248 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.628 -1.012 -2.762 1.00 4.04 C ATOM 0 H VAL A 33 5.509 -3.304 -3.941 1.00 12.13 H new ATOM 0 HA VAL A 33 4.280 -4.029 -1.350 1.00 24.23 H new ATOM 0 HB VAL A 33 3.563 -1.938 -0.839 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.510 -0.421 -0.883 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.970 -2.084 -0.448 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.293 -1.471 -2.088 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.579 0.003 -2.368 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.254 -1.025 -3.654 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.624 -1.350 -3.019 1.00 4.04 H new ATOM 590 N ILE A 34 1.997 -4.009 -2.475 1.00 53.34 N ATOM 591 CA ILE A 34 0.793 -4.384 -3.196 1.00 0.30 C ATOM 592 C ILE A 34 -0.396 -3.596 -2.641 1.00 63.12 C ATOM 593 O ILE A 34 -0.997 -3.993 -1.644 1.00 30.23 O ATOM 594 CB ILE A 34 0.596 -5.901 -3.158 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.676 -6.614 -3.974 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.814 -6.283 -3.617 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.304 -6.659 -5.457 1.00 42.24 C ATOM 0 H ILE A 34 1.888 -3.957 -1.462 1.00 53.34 H new ATOM 0 HA ILE A 34 0.885 -4.123 -4.250 1.00 0.30 H new ATOM 0 HB ILE A 34 0.700 -6.233 -2.125 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.629 -6.100 -3.850 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.810 -7.628 -3.598 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.927 -7.366 -3.581 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.549 -5.819 -2.959 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.971 -5.936 -4.638 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.089 -7.171 -6.014 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.363 -7.195 -5.580 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.195 -5.643 -5.836 1.00 42.24 H new ATOM 609 N ILE A 35 -0.699 -2.494 -3.311 1.00 13.32 N ATOM 610 CA ILE A 35 -1.805 -1.647 -2.897 1.00 43.02 C ATOM 611 C ILE A 35 -3.070 -2.064 -3.649 1.00 62.52 C ATOM 612 O ILE A 35 -3.073 -2.131 -4.878 1.00 31.22 O ATOM 613 CB ILE A 35 -1.443 -0.170 -3.073 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.189 0.185 -2.273 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.626 0.730 -2.714 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.607 1.293 -2.966 1.00 12.23 C ATOM 0 H ILE A 35 -0.198 -2.168 -4.138 1.00 13.32 H new ATOM 0 HA ILE A 35 -2.008 -1.777 -1.834 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.214 0.004 -4.124 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.472 0.507 -1.271 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.437 -0.700 -2.158 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.343 1.774 -2.848 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.470 0.497 -3.363 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.910 0.561 -1.675 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.494 1.527 -2.377 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.909 0.958 -3.958 1.00 12.23 H new ATOM 0 HD13 ILE A 35 -0.014 2.184 -3.057 1.00 12.23 H new ATOM 628 N GLU A 36 -4.116 -2.334 -2.881 1.00 14.05 N ATOM 629 CA GLU A 36 -5.384 -2.742 -3.460 1.00 10.15 C ATOM 630 C GLU A 36 -6.501 -1.798 -3.009 1.00 32.02 C ATOM 631 O GLU A 36 -6.283 -0.932 -2.163 1.00 33.43 O ATOM 632 CB GLU A 36 -5.711 -4.191 -3.095 1.00 14.40 C ATOM 633 CG GLU A 36 -4.444 -5.048 -3.065 1.00 64.41 C ATOM 634 CD GLU A 36 -3.825 -5.060 -1.665 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.152 -6.033 -1.293 1.00 11.42 O ATOM 636 OE2 GLU A 36 -4.062 -4.010 -0.955 1.00 2.44 O ATOM 0 H GLU A 36 -4.111 -2.278 -1.863 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.302 -2.684 -4.545 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.199 -4.223 -2.121 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.415 -4.602 -3.818 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.682 -6.067 -3.370 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.721 -4.661 -3.783 1.00 64.41 H new ATOM 644 N ARG A 37 -7.673 -1.997 -3.595 1.00 33.23 N ATOM 645 CA ARG A 37 -8.824 -1.174 -3.265 1.00 73.24 C ATOM 646 C ARG A 37 -9.514 -1.708 -2.008 1.00 64.52 C ATOM 647 O ARG A 37 -9.752 -2.908 -1.888 1.00 12.04 O ATOM 648 CB ARG A 37 -9.829 -1.146 -4.418 1.00 51.13 C ATOM 649 CG ARG A 37 -10.640 -2.443 -4.470 1.00 1.41 C ATOM 650 CD ARG A 37 -11.488 -2.510 -5.742 1.00 24.11 C ATOM 651 NE ARG A 37 -12.588 -3.482 -5.566 1.00 34.33 N ATOM 652 CZ ARG A 37 -13.649 -3.287 -4.754 1.00 70.24 C ATOM 653 NH1 ARG A 37 -13.761 -2.150 -4.036 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.576 -4.224 -4.674 1.00 44.03 N ATOM 0 H ARG A 37 -7.850 -2.716 -4.296 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.467 -0.160 -3.085 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.502 -0.297 -4.298 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.302 -1.004 -5.361 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.966 -3.299 -4.433 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.286 -2.507 -3.594 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.895 -1.525 -5.970 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.866 -2.801 -6.589 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.543 -4.355 -6.091 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -13.041 -1.431 -4.105 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -14.565 -2.010 -3.425 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -14.484 -5.080 -5.221 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -15.384 -4.092 -4.065 1.00 44.03 H new ATOM 667 N TYR A 38 -9.816 -0.789 -1.103 1.00 2.33 N ATOM 668 CA TYR A 38 -10.474 -1.152 0.142 1.00 20.32 C ATOM 669 C TYR A 38 -11.802 -1.862 -0.127 1.00 54.11 C ATOM 670 O TYR A 38 -12.561 -1.455 -1.007 1.00 13.01 O ATOM 671 CB TYR A 38 -10.751 0.164 0.871 1.00 12.43 C ATOM 672 CG TYR A 38 -11.826 0.060 1.955 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.153 -0.074 1.601 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.468 0.100 3.288 1.00 12.43 C ATOM 675 CE1 TYR A 38 -14.165 -0.172 2.621 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.480 0.002 4.308 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.778 -0.129 3.924 1.00 23.24 C ATOM 678 OH TYR A 38 -14.733 -0.221 4.888 1.00 23.44 O ATOM 0 H TYR A 38 -9.618 0.206 -1.206 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.849 -1.829 0.724 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.825 0.518 1.324 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.056 0.914 0.142 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.433 -0.105 0.558 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.430 0.205 3.566 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -15.207 -0.277 2.357 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -12.214 0.032 5.354 1.00 53.35 H new ATOM 0 HH TYR A 38 -14.311 -0.177 5.772 1.00 23.44 H new ATOM 688 N LYS A 39 -12.043 -2.911 0.645 1.00 73.55 N ATOM 689 CA LYS A 39 -13.266 -3.681 0.501 1.00 43.43 C ATOM 690 C LYS A 39 -14.470 -2.770 0.750 1.00 21.11 C ATOM 691 O LYS A 39 -14.857 -2.545 1.896 1.00 3.42 O ATOM 692 CB LYS A 39 -13.233 -4.916 1.405 1.00 73.41 C ATOM 693 CG LYS A 39 -13.313 -4.517 2.879 1.00 61.13 C ATOM 694 CD LYS A 39 -12.793 -5.640 3.780 1.00 10.22 C ATOM 695 CE LYS A 39 -13.894 -6.658 4.080 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.501 -7.531 5.208 1.00 32.44 N ATOM 0 H LYS A 39 -11.412 -3.246 1.373 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.358 -4.061 -0.516 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -14.065 -5.575 1.157 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.317 -5.478 1.226 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.730 -3.612 3.047 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -14.345 -4.284 3.141 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.953 -6.139 3.296 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.419 -5.218 4.713 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -14.822 -6.139 4.321 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -14.088 -7.263 3.195 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -14.260 -8.216 5.398 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.628 -8.041 4.965 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.338 -6.951 6.056 1.00 32.44 H new ATOM 709 N GLY A 40 -15.029 -2.269 -0.342 1.00 74.45 N ATOM 710 CA GLY A 40 -16.181 -1.387 -0.257 1.00 3.24 C ATOM 711 C GLY A 40 -15.806 0.044 -0.645 1.00 12.21 C ATOM 712 O GLY A 40 -16.515 0.989 -0.306 1.00 40.33 O ATOM 0 H GLY A 40 -14.705 -2.457 -1.291 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.971 -1.751 -0.914 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.579 -1.400 0.758 1.00 3.24 H new ATOM 716 N GLU A 41 -14.691 0.158 -1.353 1.00 33.32 N ATOM 717 CA GLU A 41 -14.212 1.458 -1.791 1.00 32.55 C ATOM 718 C GLU A 41 -14.326 1.579 -3.313 1.00 20.11 C ATOM 719 O GLU A 41 -13.532 0.992 -4.046 1.00 31.05 O ATOM 720 CB GLU A 41 -12.775 1.699 -1.328 1.00 62.14 C ATOM 721 CG GLU A 41 -12.157 2.894 -2.055 1.00 52.41 C ATOM 722 CD GLU A 41 -12.868 4.195 -1.676 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.692 4.693 -0.554 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.625 4.691 -2.595 1.00 34.32 O ATOM 0 H GLU A 41 -14.106 -0.629 -1.634 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.837 2.226 -1.336 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.761 1.876 -0.253 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.176 0.807 -1.512 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.099 2.968 -1.806 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -12.221 2.741 -3.132 1.00 52.41 H new ATOM 732 N LYS A 42 -15.317 2.346 -3.741 1.00 64.40 N ATOM 733 CA LYS A 42 -15.543 2.552 -5.162 1.00 2.11 C ATOM 734 C LYS A 42 -15.269 4.016 -5.511 1.00 14.01 C ATOM 735 O LYS A 42 -14.792 4.318 -6.603 1.00 33.23 O ATOM 736 CB LYS A 42 -16.944 2.078 -5.555 1.00 13.31 C ATOM 737 CG LYS A 42 -17.978 3.185 -5.339 1.00 45.50 C ATOM 738 CD LYS A 42 -18.088 4.081 -6.574 1.00 43.25 C ATOM 739 CE LYS A 42 -19.203 3.599 -7.504 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.515 4.117 -7.052 1.00 23.20 N ATOM 0 H LYS A 42 -15.973 2.832 -3.130 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.850 1.949 -5.749 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.948 1.771 -6.601 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.215 1.203 -4.965 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.949 2.742 -5.119 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.698 3.785 -4.473 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.285 5.108 -6.266 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.139 4.085 -7.110 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.005 3.933 -8.523 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.223 2.509 -7.524 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.261 3.781 -7.694 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.709 3.778 -6.088 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.498 5.157 -7.056 1.00 23.20 H new ATOM 753 N GLN A 43 -15.582 4.885 -4.562 1.00 63.45 N ATOM 754 CA GLN A 43 -15.375 6.311 -4.756 1.00 43.21 C ATOM 755 C GLN A 43 -14.069 6.560 -5.512 1.00 65.15 C ATOM 756 O GLN A 43 -14.087 6.883 -6.699 1.00 23.23 O ATOM 757 CB GLN A 43 -15.383 7.052 -3.417 1.00 65.43 C ATOM 758 CG GLN A 43 -16.721 6.869 -2.697 1.00 61.32 C ATOM 759 CD GLN A 43 -17.013 8.051 -1.771 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.193 8.456 -0.963 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.221 8.581 -1.934 1.00 61.50 N ATOM 0 H GLN A 43 -15.977 4.630 -3.657 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.198 6.700 -5.355 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.574 6.682 -2.788 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -15.198 8.113 -3.583 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.522 6.771 -3.430 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.703 5.945 -2.119 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -18.859 8.193 -2.629 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -18.510 9.376 -1.364 1.00 61.50 H new ATOM 770 N LEU A 44 -12.967 6.399 -4.794 1.00 70.13 N ATOM 771 CA LEU A 44 -11.654 6.602 -5.383 1.00 74.32 C ATOM 772 C LEU A 44 -11.516 5.723 -6.628 1.00 11.20 C ATOM 773 O LEU A 44 -12.139 4.666 -6.717 1.00 43.35 O ATOM 774 CB LEU A 44 -10.558 6.370 -4.342 1.00 23.41 C ATOM 775 CG LEU A 44 -10.395 7.463 -3.283 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.004 6.865 -1.932 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.402 8.531 -3.747 1.00 10.25 C ATOM 0 H LEU A 44 -12.956 6.130 -3.810 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.539 7.636 -5.708 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.761 5.427 -3.834 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.608 6.253 -4.864 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.358 7.955 -3.149 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -9.895 7.664 -1.198 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.779 6.173 -1.602 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.059 6.331 -2.030 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.304 9.296 -2.977 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.430 8.071 -3.927 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.763 8.988 -4.668 1.00 10.25 H new ATOM 789 N PRO A 45 -10.674 6.204 -7.582 1.00 31.11 N ATOM 790 CA PRO A 45 -10.446 5.473 -8.816 1.00 72.02 C ATOM 791 C PRO A 45 -9.542 4.263 -8.579 1.00 4.31 C ATOM 792 O PRO A 45 -8.918 4.147 -7.524 1.00 31.03 O ATOM 793 CB PRO A 45 -9.840 6.490 -9.769 1.00 14.10 C ATOM 794 CG PRO A 45 -9.322 7.622 -8.896 1.00 24.31 C ATOM 795 CD PRO A 45 -9.920 7.451 -7.509 1.00 12.34 C ATOM 0 HA PRO A 45 -11.362 5.054 -9.231 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.033 6.046 -10.353 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.584 6.853 -10.478 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.233 7.600 -8.848 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.603 8.588 -9.316 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.143 7.400 -6.746 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.566 8.290 -7.250 1.00 12.34 H new ATOM 803 N VAL A 46 -9.498 3.391 -9.575 1.00 55.41 N ATOM 804 CA VAL A 46 -8.679 2.194 -9.487 1.00 62.40 C ATOM 805 C VAL A 46 -7.232 2.545 -9.834 1.00 24.11 C ATOM 806 O VAL A 46 -6.932 2.907 -10.971 1.00 23.43 O ATOM 807 CB VAL A 46 -9.259 1.097 -10.383 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.445 -0.193 -10.268 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.734 0.845 -10.058 1.00 2.32 C ATOM 0 H VAL A 46 -10.017 3.489 -10.448 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.684 1.802 -8.470 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.197 1.441 -11.415 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.879 -0.956 -10.915 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.416 -0.002 -10.572 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.460 -0.542 -9.235 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.121 0.061 -10.709 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.829 0.533 -9.018 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.303 1.761 -10.215 1.00 2.32 H new ATOM 819 N LEU A 47 -6.372 2.426 -8.833 1.00 70.21 N ATOM 820 CA LEU A 47 -4.962 2.727 -9.018 1.00 52.54 C ATOM 821 C LEU A 47 -4.504 2.191 -10.376 1.00 0.41 C ATOM 822 O LEU A 47 -4.992 1.161 -10.838 1.00 44.05 O ATOM 823 CB LEU A 47 -4.143 2.196 -7.840 1.00 21.34 C ATOM 824 CG LEU A 47 -3.054 3.129 -7.305 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.221 3.712 -8.450 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.655 4.222 -6.420 1.00 2.31 C ATOM 0 H LEU A 47 -6.624 2.125 -7.891 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.801 3.805 -9.030 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.827 1.962 -7.024 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.675 1.259 -8.142 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.379 2.544 -6.680 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.454 4.371 -8.043 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.746 2.902 -9.004 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.869 4.278 -9.119 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.860 4.871 -6.053 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.365 4.811 -7.001 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.169 3.764 -5.575 1.00 2.31 H new ATOM 838 N ASP A 48 -3.573 2.916 -10.978 1.00 34.23 N ATOM 839 CA ASP A 48 -3.044 2.527 -12.275 1.00 65.12 C ATOM 840 C ASP A 48 -2.679 1.041 -12.247 1.00 61.25 C ATOM 841 O ASP A 48 -2.875 0.332 -13.232 1.00 1.55 O ATOM 842 CB ASP A 48 -1.779 3.319 -12.614 1.00 32.20 C ATOM 843 CG ASP A 48 -1.478 3.446 -14.108 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.678 2.499 -14.884 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.011 4.593 -14.474 1.00 33.14 O ATOM 0 H ASP A 48 -3.171 3.770 -10.592 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.808 2.730 -13.026 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.870 4.319 -12.191 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.928 2.843 -12.126 1.00 32.20 H new ATOM 851 N LYS A 49 -2.155 0.615 -11.107 1.00 34.30 N ATOM 852 CA LYS A 49 -1.760 -0.773 -10.938 1.00 13.11 C ATOM 853 C LYS A 49 -1.802 -1.133 -9.452 1.00 55.44 C ATOM 854 O LYS A 49 -2.217 -0.323 -8.625 1.00 64.03 O ATOM 855 CB LYS A 49 -0.402 -1.028 -11.595 1.00 53.23 C ATOM 856 CG LYS A 49 0.734 -0.456 -10.744 1.00 52.12 C ATOM 857 CD LYS A 49 0.900 1.045 -10.989 1.00 15.23 C ATOM 858 CE LYS A 49 1.475 1.313 -12.382 1.00 51.44 C ATOM 859 NZ LYS A 49 0.387 1.436 -13.377 1.00 4.25 N ATOM 0 H LYS A 49 -1.995 1.207 -10.292 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.462 -1.434 -11.446 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.255 -2.099 -11.731 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.383 -0.575 -12.586 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.528 -0.635 -9.689 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.665 -0.972 -10.980 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.065 1.542 -10.888 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.559 1.470 -10.232 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.068 2.228 -12.367 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.146 0.503 -12.667 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.539 0.750 -14.144 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.526 1.245 -12.918 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.383 2.399 -13.770 1.00 4.25 H new ATOM 872 N THR A 50 -1.367 -2.349 -9.158 1.00 62.40 N ATOM 873 CA THR A 50 -1.349 -2.827 -7.785 1.00 12.42 C ATOM 874 C THR A 50 0.091 -3.044 -7.315 1.00 13.32 C ATOM 875 O THR A 50 0.347 -3.145 -6.116 1.00 13.53 O ATOM 876 CB THR A 50 -2.209 -4.090 -7.713 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.405 -3.735 -8.403 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.678 -4.399 -6.290 1.00 4.14 C ATOM 0 H THR A 50 -1.024 -3.018 -9.847 1.00 62.40 H new ATOM 0 HA THR A 50 -1.772 -2.089 -7.103 1.00 12.42 H new ATOM 0 HB THR A 50 -1.643 -4.937 -8.100 1.00 64.23 H new ATOM 0 HG1 THR A 50 -4.020 -4.498 -8.406 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.284 -5.305 -6.295 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.812 -4.546 -5.645 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.273 -3.567 -5.914 1.00 4.14 H new ATOM 886 N LYS A 51 0.993 -3.109 -8.283 1.00 63.11 N ATOM 887 CA LYS A 51 2.400 -3.312 -7.983 1.00 2.24 C ATOM 888 C LYS A 51 3.142 -1.980 -8.111 1.00 2.53 C ATOM 889 O LYS A 51 2.987 -1.272 -9.105 1.00 22.21 O ATOM 890 CB LYS A 51 2.979 -4.425 -8.859 1.00 62.34 C ATOM 891 CG LYS A 51 2.231 -5.742 -8.637 1.00 12.21 C ATOM 892 CD LYS A 51 3.154 -6.941 -8.863 1.00 14.34 C ATOM 893 CE LYS A 51 3.051 -7.448 -10.304 1.00 70.11 C ATOM 894 NZ LYS A 51 1.672 -7.899 -10.596 1.00 74.50 N ATOM 0 H LYS A 51 0.777 -3.025 -9.276 1.00 63.11 H new ATOM 0 HA LYS A 51 2.525 -3.649 -6.954 1.00 2.24 H new ATOM 0 HB2 LYS A 51 2.914 -4.138 -9.908 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.036 -4.560 -8.631 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.832 -5.771 -7.623 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.380 -5.800 -9.316 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.184 -6.658 -8.646 1.00 14.34 H new ATOM 0 HD3 LYS A 51 2.891 -7.742 -8.172 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.335 -6.655 -10.996 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.749 -8.271 -10.457 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.702 -8.705 -11.252 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.207 -8.189 -9.712 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.136 -7.120 -11.029 1.00 74.50 H new ATOM 907 N PHE A 52 3.931 -1.678 -7.090 1.00 55.52 N ATOM 908 CA PHE A 52 4.697 -0.444 -7.076 1.00 12.53 C ATOM 909 C PHE A 52 6.094 -0.673 -6.495 1.00 23.41 C ATOM 910 O PHE A 52 6.263 -1.457 -5.563 1.00 20.35 O ATOM 911 CB PHE A 52 3.941 0.542 -6.183 1.00 64.54 C ATOM 912 CG PHE A 52 2.527 0.862 -6.670 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.534 -0.057 -6.527 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.261 2.066 -7.244 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.221 0.241 -6.979 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.948 2.363 -7.695 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.044 1.445 -7.553 1.00 13.42 C ATOM 0 H PHE A 52 4.056 -2.267 -6.267 1.00 55.52 H new ATOM 0 HA PHE A 52 4.813 -0.066 -8.092 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.883 0.133 -5.174 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.511 1.469 -6.119 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.744 -1.013 -6.070 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.049 2.796 -7.357 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.567 -0.489 -6.867 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.737 3.319 -8.151 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.043 1.672 -7.896 1.00 13.42 H new ATOM 927 N LEU A 53 7.061 0.028 -7.070 1.00 0.05 N ATOM 928 CA LEU A 53 8.438 -0.089 -6.620 1.00 15.10 C ATOM 929 C LEU A 53 8.825 1.172 -5.844 1.00 53.33 C ATOM 930 O LEU A 53 9.061 2.223 -6.438 1.00 23.21 O ATOM 931 CB LEU A 53 9.363 -0.392 -7.800 1.00 22.22 C ATOM 932 CG LEU A 53 9.039 -1.657 -8.598 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.260 -2.134 -9.388 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.482 -2.753 -7.687 1.00 70.04 C ATOM 0 H LEU A 53 6.918 0.678 -7.843 1.00 0.05 H new ATOM 0 HA LEU A 53 8.545 -0.931 -5.936 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.341 0.459 -8.481 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.383 -0.474 -7.425 1.00 22.22 H new ATOM 0 HG LEU A 53 8.261 -1.414 -9.322 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.003 -3.034 -9.946 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.572 -1.353 -10.082 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.076 -2.355 -8.699 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.260 -3.641 -8.279 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.219 -3.001 -6.924 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.569 -2.399 -7.208 1.00 70.04 H new ATOM 946 N VAL A 54 8.879 1.025 -4.528 1.00 12.25 N ATOM 947 CA VAL A 54 9.233 2.138 -3.665 1.00 54.11 C ATOM 948 C VAL A 54 10.754 2.198 -3.516 1.00 53.14 C ATOM 949 O VAL A 54 11.414 1.165 -3.415 1.00 2.34 O ATOM 950 CB VAL A 54 8.506 2.013 -2.324 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.463 3.357 -1.596 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.097 1.447 -2.515 1.00 33.12 C ATOM 0 H VAL A 54 8.683 0.152 -4.039 1.00 12.25 H new ATOM 0 HA VAL A 54 8.912 3.081 -4.107 1.00 54.11 H new ATOM 0 HB VAL A 54 9.066 1.314 -1.703 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.941 3.240 -0.646 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.480 3.703 -1.411 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.937 4.087 -2.211 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.602 1.368 -1.547 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.523 2.110 -3.163 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.160 0.459 -2.971 1.00 33.12 H new ATOM 962 N PRO A 55 11.282 3.452 -3.506 1.00 45.33 N ATOM 963 CA PRO A 55 12.713 3.661 -3.371 1.00 0.21 C ATOM 964 C PRO A 55 13.169 3.421 -1.931 1.00 50.22 C ATOM 965 O PRO A 55 12.598 3.976 -0.994 1.00 54.10 O ATOM 966 CB PRO A 55 12.948 5.089 -3.839 1.00 72.21 C ATOM 967 CG PRO A 55 11.594 5.776 -3.776 1.00 64.33 C ATOM 968 CD PRO A 55 10.532 4.700 -3.623 1.00 22.13 C ATOM 0 HA PRO A 55 13.298 2.960 -3.966 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.673 5.595 -3.201 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.348 5.107 -4.853 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.557 6.471 -2.937 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.419 6.359 -4.680 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.915 4.875 -2.742 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.862 4.680 -4.482 1.00 22.13 H new ATOM 976 N ASP A 56 14.195 2.593 -1.800 1.00 15.23 N ATOM 977 CA ASP A 56 14.735 2.273 -0.488 1.00 24.22 C ATOM 978 C ASP A 56 15.716 3.367 -0.064 1.00 33.22 C ATOM 979 O ASP A 56 16.849 3.075 0.318 1.00 24.04 O ATOM 980 CB ASP A 56 15.491 0.943 -0.515 1.00 14.44 C ATOM 981 CG ASP A 56 16.840 0.980 -1.235 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.014 1.705 -2.226 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.748 0.214 -0.734 1.00 53.21 O ATOM 0 H ASP A 56 14.667 2.134 -2.579 1.00 15.23 H new ATOM 0 HA ASP A 56 13.902 2.201 0.212 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.653 0.614 0.511 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.861 0.194 -0.994 1.00 14.44 H new ATOM 989 N HIS A 57 15.247 4.603 -0.146 1.00 42.54 N ATOM 990 CA HIS A 57 16.068 5.742 0.225 1.00 33.12 C ATOM 991 C HIS A 57 15.170 6.920 0.611 1.00 34.15 C ATOM 992 O HIS A 57 15.578 8.075 0.510 1.00 74.42 O ATOM 993 CB HIS A 57 17.052 6.090 -0.895 1.00 42.14 C ATOM 994 CG HIS A 57 16.395 6.358 -2.228 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.590 7.460 -2.458 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.433 5.657 -3.397 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.167 7.414 -3.713 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.690 6.295 -4.293 1.00 2.34 N ATOM 0 H HIS A 57 14.308 4.841 -0.464 1.00 42.54 H new ATOM 0 HA HIS A 57 16.672 5.490 1.097 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.625 6.969 -0.601 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.761 5.270 -1.009 1.00 42.14 H new ATOM 0 HD2 HIS A 57 16.976 4.738 -3.565 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.522 8.135 -4.192 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.535 5.998 -5.256 1.00 2.34 H new ATOM 1006 N VAL A 58 13.965 6.584 1.046 1.00 51.30 N ATOM 1007 CA VAL A 58 13.006 7.598 1.449 1.00 21.42 C ATOM 1008 C VAL A 58 12.187 7.079 2.633 1.00 52.34 C ATOM 1009 O VAL A 58 12.611 6.157 3.328 1.00 3.12 O ATOM 1010 CB VAL A 58 12.139 8.002 0.255 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.004 8.339 -0.961 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.123 6.908 -0.081 1.00 52.14 C ATOM 0 H VAL A 58 13.631 5.624 1.128 1.00 51.30 H new ATOM 0 HA VAL A 58 13.521 8.500 1.780 1.00 21.42 H new ATOM 0 HB VAL A 58 11.585 8.899 0.532 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.363 8.623 -1.796 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.669 9.167 -0.716 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.597 7.467 -1.239 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.520 7.221 -0.933 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.649 5.986 -0.328 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.475 6.737 0.779 1.00 52.14 H new ATOM 1022 N ASN A 59 11.029 7.693 2.826 1.00 3.10 N ATOM 1023 CA ASN A 59 10.148 7.304 3.913 1.00 53.34 C ATOM 1024 C ASN A 59 8.784 6.910 3.342 1.00 32.55 C ATOM 1025 O ASN A 59 8.383 7.400 2.288 1.00 53.32 O ATOM 1026 CB ASN A 59 9.935 8.462 4.890 1.00 31.55 C ATOM 1027 CG ASN A 59 10.347 9.794 4.260 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.440 10.304 3.432 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.417 10.324 4.509 1.00 14.31 N flip ATOM 0 H ASN A 59 10.681 8.457 2.247 1.00 3.10 H new ATOM 0 HA ASN A 59 10.610 6.468 4.439 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.887 8.505 5.186 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.515 8.289 5.796 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.069 9.878 5.155 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.660 11.213 4.071 1.00 14.31 H new ATOM 1036 N MET A 60 8.108 6.029 4.065 1.00 53.42 N ATOM 1037 CA MET A 60 6.797 5.564 3.645 1.00 63.50 C ATOM 1038 C MET A 60 5.935 6.728 3.151 1.00 72.03 C ATOM 1039 O MET A 60 5.024 6.532 2.347 1.00 33.53 O ATOM 1040 CB MET A 60 6.100 4.874 4.818 1.00 54.13 C ATOM 1041 CG MET A 60 5.377 5.891 5.702 1.00 71.53 C ATOM 1042 SD MET A 60 3.710 6.138 5.114 1.00 50.24 S ATOM 1043 CE MET A 60 3.120 4.453 5.140 1.00 24.12 C ATOM 0 H MET A 60 8.444 5.625 4.939 1.00 53.42 H new ATOM 0 HA MET A 60 6.928 4.859 2.824 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.386 4.142 4.441 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.834 4.328 5.411 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.359 5.540 6.734 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.917 6.838 5.697 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.041 4.448 5.294 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.354 3.971 4.191 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.605 3.910 5.952 1.00 24.12 H new ATOM 1053 N SER A 61 6.253 7.912 3.652 1.00 31.15 N ATOM 1054 CA SER A 61 5.519 9.106 3.272 1.00 60.52 C ATOM 1055 C SER A 61 5.535 9.269 1.750 1.00 5.42 C ATOM 1056 O SER A 61 4.482 9.341 1.118 1.00 42.35 O ATOM 1057 CB SER A 61 6.102 10.350 3.944 1.00 24.14 C ATOM 1058 OG SER A 61 6.330 11.404 3.013 1.00 33.42 O ATOM 0 H SER A 61 7.009 8.070 4.318 1.00 31.15 H new ATOM 0 HA SER A 61 4.488 8.994 3.609 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.420 10.695 4.722 1.00 24.14 H new ATOM 0 HB3 SER A 61 7.040 10.091 4.435 1.00 24.14 H new ATOM 0 HG SER A 61 6.701 12.180 3.482 1.00 33.42 H new ATOM 1064 N GLU A 62 6.742 9.322 1.206 1.00 43.34 N ATOM 1065 CA GLU A 62 6.910 9.474 -0.229 1.00 62.30 C ATOM 1066 C GLU A 62 5.908 8.592 -0.977 1.00 2.22 C ATOM 1067 O GLU A 62 5.221 9.059 -1.884 1.00 1.22 O ATOM 1068 CB GLU A 62 8.345 9.153 -0.651 1.00 23.32 C ATOM 1069 CG GLU A 62 9.221 10.406 -0.613 1.00 33.21 C ATOM 1070 CD GLU A 62 8.618 11.523 -1.467 1.00 21.13 C ATOM 1071 OE1 GLU A 62 7.688 11.272 -2.248 1.00 65.32 O ATOM 1072 OE2 GLU A 62 9.149 12.686 -1.298 1.00 22.24 O ATOM 0 H GLU A 62 7.613 9.262 1.733 1.00 43.34 H new ATOM 0 HA GLU A 62 6.714 10.514 -0.489 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.761 8.394 0.011 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.347 8.734 -1.657 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.328 10.748 0.416 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.221 10.166 -0.975 1.00 33.21 H new ATOM 1080 N LEU A 63 5.856 7.333 -0.569 1.00 75.35 N ATOM 1081 CA LEU A 63 4.951 6.382 -1.190 1.00 71.31 C ATOM 1082 C LEU A 63 3.582 7.037 -1.381 1.00 34.30 C ATOM 1083 O LEU A 63 2.991 6.948 -2.456 1.00 74.31 O ATOM 1084 CB LEU A 63 4.903 5.082 -0.383 1.00 53.52 C ATOM 1085 CG LEU A 63 4.255 3.884 -1.080 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.612 2.939 -0.061 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.257 4.342 -2.145 1.00 23.34 C ATOM 0 H LEU A 63 6.426 6.949 0.185 1.00 75.35 H new ATOM 0 HA LEU A 63 5.313 6.103 -2.180 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.922 4.810 -0.109 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.363 5.273 0.545 1.00 53.52 H new ATOM 0 HG LEU A 63 5.037 3.323 -1.592 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.159 2.096 -0.582 1.00 21.14 H new ATOM 0 HD12 LEU A 63 4.374 2.573 0.627 1.00 21.14 H new ATOM 0 HD13 LEU A 63 2.845 3.475 0.499 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.811 3.471 -2.625 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.474 4.939 -1.677 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.774 4.943 -2.893 1.00 23.34 H new ATOM 1099 N ILE A 64 3.118 7.683 -0.321 1.00 23.04 N ATOM 1100 CA ILE A 64 1.829 8.354 -0.359 1.00 61.52 C ATOM 1101 C ILE A 64 1.856 9.440 -1.436 1.00 62.30 C ATOM 1102 O ILE A 64 0.963 9.507 -2.278 1.00 14.00 O ATOM 1103 CB ILE A 64 1.456 8.875 1.030 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.824 7.859 2.114 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.023 9.264 1.090 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.376 6.450 1.720 1.00 54.44 C ATOM 0 H ILE A 64 3.611 7.756 0.569 1.00 23.04 H new ATOM 0 HA ILE A 64 1.042 7.652 -0.633 1.00 61.52 H new ATOM 0 HB ILE A 64 2.036 9.777 1.223 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.902 7.870 2.276 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.357 8.143 3.057 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.262 9.631 2.088 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.223 10.046 0.358 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.638 8.392 0.867 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.650 5.748 2.507 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.295 6.437 1.582 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.864 6.160 0.789 1.00 54.44 H new ATOM 1118 N LYS A 65 2.892 10.265 -1.374 1.00 65.21 N ATOM 1119 CA LYS A 65 3.047 11.345 -2.333 1.00 4.50 C ATOM 1120 C LYS A 65 2.881 10.791 -3.750 1.00 41.42 C ATOM 1121 O LYS A 65 2.298 11.446 -4.612 1.00 64.31 O ATOM 1122 CB LYS A 65 4.374 12.074 -2.109 1.00 50.41 C ATOM 1123 CG LYS A 65 4.291 13.004 -0.896 1.00 31.50 C ATOM 1124 CD LYS A 65 4.489 12.225 0.405 1.00 14.42 C ATOM 1125 CE LYS A 65 3.152 11.980 1.108 1.00 43.24 C ATOM 1126 NZ LYS A 65 2.679 13.217 1.769 1.00 21.21 N ATOM 0 H LYS A 65 3.632 10.207 -0.674 1.00 65.21 H new ATOM 0 HA LYS A 65 2.269 12.095 -2.191 1.00 4.50 H new ATOM 0 HB2 LYS A 65 5.172 11.347 -1.960 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.630 12.651 -2.997 1.00 50.41 H new ATOM 0 HG2 LYS A 65 5.050 13.782 -0.977 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.322 13.503 -0.881 1.00 31.50 H new ATOM 0 HD2 LYS A 65 4.972 11.271 0.192 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.155 12.779 1.066 1.00 14.42 H new ATOM 0 HE2 LYS A 65 2.411 11.641 0.384 1.00 43.24 H new ATOM 0 HE3 LYS A 65 3.263 11.186 1.846 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 1.855 12.999 2.365 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 3.440 13.608 2.360 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 2.409 13.915 1.047 1.00 21.21 H new ATOM 1139 N ILE A 66 3.405 9.591 -3.946 1.00 54.04 N ATOM 1140 CA ILE A 66 3.322 8.941 -5.243 1.00 32.11 C ATOM 1141 C ILE A 66 1.879 8.501 -5.498 1.00 63.23 C ATOM 1142 O ILE A 66 1.251 8.946 -6.457 1.00 3.21 O ATOM 1143 CB ILE A 66 4.339 7.800 -5.337 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.721 8.258 -4.868 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.378 7.216 -6.751 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.522 8.857 -6.025 1.00 42.45 C ATOM 0 H ILE A 66 3.889 9.051 -3.229 1.00 54.04 H new ATOM 0 HA ILE A 66 3.587 9.640 -6.036 1.00 32.11 H new ATOM 0 HB ILE A 66 4.020 7.001 -4.667 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.613 8.998 -4.075 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.264 7.413 -4.444 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.108 6.408 -6.791 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.393 6.829 -7.012 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.661 7.995 -7.459 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.500 9.175 -5.664 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.649 8.107 -6.806 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.988 9.717 -6.430 1.00 42.45 H new ATOM 1158 N ILE A 67 1.396 7.633 -4.621 1.00 34.24 N ATOM 1159 CA ILE A 67 0.038 7.128 -4.739 1.00 32.34 C ATOM 1160 C ILE A 67 -0.898 8.277 -5.121 1.00 73.40 C ATOM 1161 O ILE A 67 -1.420 8.313 -6.234 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.375 6.399 -3.459 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.378 5.075 -3.315 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.892 6.205 -3.404 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.080 4.066 -4.369 1.00 74.11 C ATOM 0 H ILE A 67 1.920 7.267 -3.826 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.025 6.387 -5.536 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.099 7.021 -2.607 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.449 5.249 -3.415 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.213 4.665 -2.318 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.159 5.684 -2.484 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.384 7.177 -3.427 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.215 5.615 -4.262 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.471 3.134 -4.244 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.147 3.876 -4.251 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.109 4.468 -5.364 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.080 9.189 -4.177 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.943 10.335 -4.402 1.00 13.42 C ATOM 1179 C ARG A 68 -1.685 10.932 -5.787 1.00 51.22 C ATOM 1180 O ARG A 68 -2.625 11.259 -6.510 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.714 11.414 -3.340 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.315 12.021 -3.468 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.004 12.939 -2.284 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.155 13.833 -2.022 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.381 14.448 -0.842 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.537 14.271 0.196 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.441 15.226 -0.718 1.00 64.55 N ATOM 0 H ARG A 68 -0.644 9.157 -3.255 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.975 9.989 -4.338 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.465 12.197 -3.444 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.838 10.984 -2.346 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.427 11.225 -3.520 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.243 12.585 -4.398 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.213 12.343 -1.398 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.886 13.531 -2.496 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.818 13.994 -2.780 1.00 63.13 H new ATOM 0 HH11 ARG A 68 0.280 13.669 0.092 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.716 14.740 1.084 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.074 15.355 -1.507 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.626 15.698 0.167 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.407 11.053 -6.115 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.013 11.604 -7.401 1.00 45.24 C ATOM 1202 C ARG A 69 -0.553 10.733 -8.538 1.00 0.14 C ATOM 1203 O ARG A 69 -0.932 11.246 -9.590 1.00 4.20 O ATOM 1204 CB ARG A 69 1.508 11.698 -7.517 1.00 70.32 C ATOM 1205 CG ARG A 69 1.996 13.114 -7.207 1.00 44.21 C ATOM 1206 CD ARG A 69 1.577 14.092 -8.307 1.00 0.22 C ATOM 1207 NE ARG A 69 0.278 14.711 -7.966 1.00 10.40 N ATOM 1208 CZ ARG A 69 -0.532 15.313 -8.863 1.00 73.23 C ATOM 1209 NH1 ARG A 69 -0.182 15.382 -10.165 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -1.672 15.834 -8.448 1.00 11.44 N ATOM 0 H ARG A 69 0.369 10.779 -5.513 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.433 12.607 -7.476 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.973 10.991 -6.830 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.818 11.415 -8.523 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.589 13.441 -6.250 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.082 13.115 -7.109 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.337 14.864 -8.427 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.501 13.569 -9.260 1.00 0.22 H new ATOM 0 HE ARG A 69 -0.025 14.681 -6.992 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.700 14.977 -10.478 1.00 43.44 H new ATOM 0 HH12 ARG A 69 -0.800 15.839 -10.836 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.929 15.778 -7.463 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -2.295 16.292 -9.113 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.570 9.432 -8.288 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.056 8.486 -9.278 1.00 12.55 C ATOM 1225 C ARG A 70 -2.562 8.659 -9.482 1.00 23.22 C ATOM 1226 O ARG A 70 -3.037 8.706 -10.616 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.768 7.046 -8.850 1.00 25.13 C ATOM 1228 CG ARG A 70 0.717 6.853 -8.535 1.00 50.40 C ATOM 1229 CD ARG A 70 1.382 5.941 -9.567 1.00 24.25 C ATOM 1230 NE ARG A 70 2.032 6.755 -10.619 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.989 6.293 -11.450 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.418 5.016 -11.359 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.502 7.108 -12.353 1.00 40.12 N ATOM 0 H ARG A 70 -0.255 9.011 -7.414 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.534 8.686 -10.214 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.365 6.798 -7.972 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.067 6.361 -9.643 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.219 7.821 -8.523 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.828 6.424 -7.539 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.121 5.305 -9.080 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.638 5.281 -10.014 1.00 24.25 H new ATOM 0 HE ARG A 70 1.738 7.726 -10.722 1.00 54.32 H new ATOM 0 HH11 ARG A 70 3.018 4.392 -10.658 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.142 4.675 -11.991 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.174 8.072 -12.415 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.226 6.774 -12.989 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.272 8.748 -8.367 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.715 8.915 -8.410 1.00 61.25 C ATOM 1248 C LEU A 71 -5.049 10.282 -9.009 1.00 45.53 C ATOM 1249 O LEU A 71 -6.194 10.542 -9.374 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.322 8.687 -7.024 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.158 7.280 -6.444 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -4.985 7.330 -4.926 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.323 6.377 -6.859 1.00 31.15 C ATOM 0 H LEU A 71 -2.875 8.708 -7.428 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.166 8.164 -9.058 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.874 9.399 -6.331 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.386 8.917 -7.073 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.249 6.844 -6.857 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.871 6.317 -4.539 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.099 7.915 -4.680 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.862 7.794 -4.475 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.182 5.383 -6.434 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.259 6.799 -6.493 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.358 6.305 -7.946 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.027 11.122 -9.092 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.197 12.457 -9.641 1.00 2.32 C ATOM 1267 C GLN A 72 -5.508 13.071 -9.146 1.00 41.52 C ATOM 1268 O GLN A 72 -6.259 13.652 -9.927 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.146 12.432 -11.170 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.273 11.569 -11.742 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.385 11.748 -13.258 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.044 12.779 -13.813 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.880 10.689 -13.892 1.00 53.14 N ATOM 0 H GLN A 72 -3.078 10.904 -8.788 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.373 13.079 -9.293 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.229 13.448 -11.557 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.182 12.043 -11.499 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.087 10.521 -11.509 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.218 11.838 -11.270 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -6.146 9.857 -13.365 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.994 10.709 -14.905 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.743 12.920 -7.851 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.951 13.452 -7.242 1.00 53.22 C ATOM 1284 C LEU A 73 -6.800 14.963 -7.057 1.00 1.12 C ATOM 1285 O LEU A 73 -5.798 15.547 -7.471 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.273 12.704 -5.948 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.238 11.176 -6.030 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.857 10.564 -4.681 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.564 10.625 -6.556 1.00 40.04 C ATOM 0 H LEU A 73 -5.118 12.437 -7.206 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.809 13.294 -7.896 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.567 13.023 -5.182 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.265 13.008 -5.613 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.465 10.889 -6.743 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.839 9.477 -4.766 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.870 10.921 -4.385 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.589 10.857 -3.929 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.512 9.537 -6.605 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.372 10.920 -5.887 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.754 11.024 -7.552 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.808 15.556 -6.434 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.800 16.988 -6.189 1.00 74.20 C ATOM 1303 C ASN A 74 -7.597 17.243 -4.695 1.00 51.40 C ATOM 1304 O ASN A 74 -7.377 16.309 -3.925 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.129 17.625 -6.601 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.926 19.072 -7.053 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.826 19.600 -7.058 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -10.045 19.681 -7.433 1.00 1.30 N ATOM 0 H ASN A 74 -8.637 15.070 -6.091 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.993 17.426 -6.776 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.578 17.047 -7.409 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.825 17.596 -5.763 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -10.015 20.649 -7.754 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.933 19.180 -7.404 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.676 18.514 -4.328 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.503 18.905 -2.940 1.00 24.42 C ATOM 1317 C ALA A 75 -8.799 18.633 -2.172 1.00 44.43 C ATOM 1318 O ALA A 75 -8.807 18.627 -0.942 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.083 20.375 -2.871 1.00 14.40 C ATOM 0 H ALA A 75 -7.858 19.286 -4.969 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.713 18.318 -2.472 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.953 20.668 -1.829 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.143 20.510 -3.406 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.853 20.995 -3.329 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.863 18.415 -2.931 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.162 18.142 -2.338 1.00 24.12 C ATOM 1327 C ASN A 76 -11.291 16.640 -2.072 1.00 74.34 C ATOM 1328 O ASN A 76 -12.057 16.225 -1.204 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.294 18.555 -3.280 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.616 20.044 -3.129 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -11.584 20.847 -3.364 1.00 13.31 O flip ATOM 1332 ND2 ASN A 76 -13.729 20.436 -2.820 1.00 33.55 N flip ATOM 0 H ASN A 76 -9.853 18.422 -3.951 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.237 18.712 -1.412 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.010 18.343 -4.311 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.184 17.963 -3.067 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -14.478 19.764 -2.653 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.910 21.436 -2.728 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.532 15.869 -2.836 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.552 14.424 -2.693 1.00 23.14 C ATOM 1341 C GLN A 77 -9.543 13.979 -1.633 1.00 75.30 C ATOM 1342 O GLN A 77 -8.348 14.242 -1.759 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.278 13.738 -4.033 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.994 12.246 -3.837 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.251 11.505 -3.378 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.286 11.257 -2.072 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.130 11.178 -4.158 1.00 2.12 N flip ATOM 0 H GLN A 77 -9.899 16.218 -3.556 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.548 14.125 -2.365 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.136 13.865 -4.693 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.427 14.213 -4.522 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.634 11.815 -4.771 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.202 12.117 -3.100 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.040 11.400 -5.150 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.955 10.683 -3.819 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.062 13.316 -0.611 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.220 12.832 0.472 1.00 43.41 C ATOM 1358 C ALA A 78 -8.700 11.436 0.123 1.00 61.31 C ATOM 1359 O ALA A 78 -9.437 10.611 -0.413 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.012 12.850 1.781 1.00 61.34 C ATOM 0 H ALA A 78 -11.054 13.102 -0.509 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.355 13.481 0.606 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.381 12.487 2.593 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.333 13.869 1.998 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -10.887 12.207 1.686 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.434 11.214 0.444 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.806 9.933 0.172 1.00 50.43 C ATOM 1368 C PHE A 79 -5.897 9.511 1.328 1.00 43.02 C ATOM 1369 O PHE A 79 -5.121 10.318 1.838 1.00 63.34 O ATOM 1370 CB PHE A 79 -5.959 10.108 -1.090 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.691 9.252 -1.112 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.787 7.896 -1.165 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.468 9.845 -1.079 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.611 7.101 -1.186 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.292 9.050 -1.100 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.389 7.695 -1.153 1.00 20.55 C ATOM 0 H PHE A 79 -6.826 11.901 0.890 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.569 9.165 0.046 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.567 9.861 -1.960 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.679 11.157 -1.184 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.758 7.424 -1.191 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.391 10.921 -1.037 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.687 6.025 -1.228 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.321 9.521 -1.074 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.494 7.090 -1.169 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.023 8.248 1.708 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.223 7.709 2.794 1.00 53.43 C ATOM 1388 C PHE A 80 -4.825 6.258 2.515 1.00 1.31 C ATOM 1389 O PHE A 80 -5.675 5.427 2.201 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.090 7.755 4.054 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.059 9.100 4.781 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -4.890 9.568 5.298 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.200 9.828 4.913 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -4.863 10.816 5.973 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.172 11.077 5.588 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.004 11.544 6.105 1.00 53.22 C ATOM 0 H PHE A 80 -6.668 7.582 1.283 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.309 8.292 2.908 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.120 7.524 3.783 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.758 6.975 4.740 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -3.984 8.990 5.195 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.128 9.456 4.504 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -3.935 11.188 6.382 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.078 11.656 5.691 1.00 2.11 H new ATOM 0 HZ PHE A 80 -5.983 12.493 6.620 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.532 5.997 2.640 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.011 4.661 2.405 1.00 10.45 C ATOM 1408 C LEU A 81 -2.936 3.908 3.734 1.00 41.41 C ATOM 1409 O LEU A 81 -2.105 4.222 4.585 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.676 4.731 1.661 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.163 3.411 1.081 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.290 2.380 0.982 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.470 3.635 -0.264 1.00 32.24 C ATOM 0 H LEU A 81 -2.829 6.689 2.901 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.682 4.098 1.756 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.773 5.450 0.847 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.922 5.123 2.344 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.416 3.006 1.764 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.898 1.451 0.567 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.698 2.190 1.975 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.078 2.763 0.334 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.115 2.681 -0.654 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.176 4.075 -0.968 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.376 4.309 -0.130 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.815 2.926 3.872 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.858 2.125 5.083 1.00 2.41 C ATOM 1427 C LEU A 82 -2.821 1.004 4.985 1.00 23.30 C ATOM 1428 O LEU A 82 -2.965 0.089 4.176 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.281 1.624 5.344 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.308 2.693 5.727 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.925 3.375 7.041 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.498 3.701 4.592 1.00 2.33 C ATOM 0 H LEU A 82 -4.503 2.667 3.165 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.593 2.731 5.950 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.635 1.112 4.449 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.243 0.882 6.142 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.268 2.203 5.887 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.671 4.130 7.290 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.881 2.632 7.837 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.950 3.850 6.934 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.232 4.450 4.889 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.548 4.190 4.377 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.849 3.182 3.700 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.799 1.113 5.821 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.738 0.121 5.839 1.00 54.23 C ATOM 1446 C VAL A 83 -1.188 -1.085 6.666 1.00 0.12 C ATOM 1447 O VAL A 83 -1.339 -0.988 7.883 1.00 11.13 O ATOM 1448 CB VAL A 83 0.558 0.749 6.356 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.552 -0.328 6.796 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.177 1.672 5.304 1.00 25.30 C ATOM 0 H VAL A 83 -1.683 1.873 6.491 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.531 -0.235 4.830 1.00 54.23 H new ATOM 0 HB VAL A 83 0.313 1.354 7.229 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.464 0.145 7.159 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.111 -0.926 7.594 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.790 -0.972 5.949 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.097 2.106 5.696 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.401 1.099 4.404 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.475 2.470 5.061 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.389 -2.196 5.972 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.820 -3.420 6.626 1.00 22.42 C ATOM 1462 C ASN A 84 -3.234 -3.229 7.178 1.00 41.23 C ATOM 1463 O ASN A 84 -3.722 -4.057 7.944 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.899 -3.771 7.797 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.135 -5.068 7.523 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.103 -4.881 7.072 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.634 -6.165 7.710 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.261 -2.274 4.963 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.792 -4.224 5.890 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.193 -2.958 7.966 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.488 -3.877 8.708 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.590 -6.238 8.058 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.095 -7.010 7.518 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.852 -2.132 6.764 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.202 -1.822 7.207 1.00 4.21 C ATOM 1476 C GLY A 85 -5.189 -0.728 8.277 1.00 61.15 C ATOM 1477 O GLY A 85 -6.220 -0.433 8.880 1.00 20.01 O ATOM 0 H GLY A 85 -3.444 -1.448 6.127 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.802 -1.498 6.357 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.673 -2.720 7.606 1.00 4.21 H new ATOM 1481 N HIS A 86 -4.010 -0.157 8.479 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.851 0.898 9.466 1.00 11.12 C ATOM 1483 C HIS A 86 -3.165 2.103 8.822 1.00 50.33 C ATOM 1484 O HIS A 86 -2.130 1.959 8.171 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.107 0.380 10.699 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.841 -0.378 10.378 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.651 0.251 10.057 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.592 -1.718 10.334 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.266 -0.678 9.831 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.320 -1.899 10.003 1.00 4.14 N ATOM 0 H HIS A 86 -3.157 -0.405 7.977 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.830 1.226 9.815 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.860 1.224 11.343 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.773 -0.269 11.267 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -2.309 -2.500 10.535 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.296 -0.501 9.559 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.143 -2.801 9.895 1.00 4.14 H new ATOM 1498 N SER A 87 -3.767 3.265 9.025 1.00 21.12 N ATOM 1499 CA SER A 87 -3.226 4.496 8.472 1.00 35.33 C ATOM 1500 C SER A 87 -1.794 4.707 8.967 1.00 12.03 C ATOM 1501 O SER A 87 -1.318 3.974 9.833 1.00 44.20 O ATOM 1502 CB SER A 87 -4.099 5.697 8.843 1.00 21.01 C ATOM 1503 OG SER A 87 -4.852 5.462 10.030 1.00 72.54 O ATOM 0 H SER A 87 -4.625 3.381 9.565 1.00 21.12 H new ATOM 0 HA SER A 87 -3.219 4.409 7.386 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.468 6.575 8.982 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.779 5.919 8.020 1.00 21.01 H new ATOM 0 HG SER A 87 -4.864 6.276 10.576 1.00 72.54 H new ATOM 1509 N MET A 88 -1.148 5.714 8.396 1.00 23.44 N ATOM 1510 CA MET A 88 0.221 6.031 8.769 1.00 70.11 C ATOM 1511 C MET A 88 0.332 7.471 9.274 1.00 34.21 C ATOM 1512 O MET A 88 1.301 8.165 8.972 1.00 30.24 O ATOM 1513 CB MET A 88 1.137 5.842 7.558 1.00 23.21 C ATOM 1514 CG MET A 88 0.443 6.291 6.271 1.00 12.04 C ATOM 1515 SD MET A 88 0.111 8.044 6.335 1.00 73.31 S ATOM 1516 CE MET A 88 -1.659 8.033 6.106 1.00 51.33 C ATOM 0 H MET A 88 -1.547 6.320 7.679 1.00 23.44 H new ATOM 0 HA MET A 88 0.524 5.360 9.573 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.055 6.413 7.699 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.424 4.794 7.474 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.072 6.063 5.410 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.489 5.741 6.140 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.967 8.950 5.603 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.942 7.173 5.498 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.151 7.969 7.077 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.674 7.876 10.035 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.701 9.222 10.584 1.00 62.21 C ATOM 1528 C VAL A 89 0.708 9.615 11.028 1.00 24.13 C ATOM 1529 O VAL A 89 1.069 10.791 10.992 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.729 9.303 11.715 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.931 10.750 12.168 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -3.058 8.669 11.297 1.00 72.21 C ATOM 0 H VAL A 89 -1.476 7.297 10.284 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.014 9.939 9.825 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.340 8.737 12.561 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.666 10.780 12.972 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.984 11.155 12.526 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.287 11.348 11.329 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.770 8.740 12.119 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -3.454 9.194 10.428 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.898 7.620 11.046 1.00 72.21 H new ATOM 1542 N SER A 90 1.469 8.610 11.436 1.00 43.15 N ATOM 1543 CA SER A 90 2.831 8.836 11.885 1.00 5.54 C ATOM 1544 C SER A 90 3.816 8.130 10.951 1.00 40.34 C ATOM 1545 O SER A 90 3.990 6.916 11.030 1.00 35.33 O ATOM 1546 CB SER A 90 3.024 8.351 13.324 1.00 14.32 C ATOM 1547 OG SER A 90 2.486 7.047 13.524 1.00 2.52 O ATOM 0 H SER A 90 1.167 7.636 11.465 1.00 43.15 H new ATOM 0 HA SER A 90 3.024 9.908 11.862 1.00 5.54 H new ATOM 0 HB2 SER A 90 4.087 8.346 13.565 1.00 14.32 H new ATOM 0 HB3 SER A 90 2.545 9.050 14.010 1.00 14.32 H new ATOM 0 HG SER A 90 2.757 6.464 12.784 1.00 2.52 H new ATOM 1553 N VAL A 91 4.433 8.923 10.087 1.00 73.43 N ATOM 1554 CA VAL A 91 5.395 8.389 9.137 1.00 23.12 C ATOM 1555 C VAL A 91 6.806 8.794 9.566 1.00 2.11 C ATOM 1556 O VAL A 91 7.314 9.830 9.141 1.00 34.04 O ATOM 1557 CB VAL A 91 5.044 8.851 7.721 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.346 10.213 7.745 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.289 8.888 6.833 1.00 15.53 C ATOM 0 H VAL A 91 4.286 9.930 10.025 1.00 73.43 H new ATOM 0 HA VAL A 91 5.358 7.300 9.127 1.00 23.12 H new ATOM 0 HB VAL A 91 4.350 8.127 7.295 1.00 41.51 H new ATOM 0 HG11 VAL A 91 4.108 10.518 6.726 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.427 10.141 8.326 1.00 4.23 H new ATOM 0 HG13 VAL A 91 5.006 10.952 8.200 1.00 4.23 H new ATOM 0 HG21 VAL A 91 6.012 9.219 5.832 1.00 15.53 H new ATOM 0 HG22 VAL A 91 7.017 9.580 7.256 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.726 7.891 6.777 1.00 15.53 H new ATOM 1569 N SER A 92 7.400 7.956 10.402 1.00 1.13 N ATOM 1570 CA SER A 92 8.744 8.213 10.892 1.00 51.40 C ATOM 1571 C SER A 92 9.642 7.006 10.617 1.00 74.42 C ATOM 1572 O SER A 92 10.734 6.901 11.172 1.00 22.05 O ATOM 1573 CB SER A 92 8.731 8.536 12.388 1.00 12.45 C ATOM 1574 OG SER A 92 9.854 9.322 12.774 1.00 11.51 O ATOM 0 H SER A 92 6.975 7.098 10.753 1.00 1.13 H new ATOM 0 HA SER A 92 9.141 9.080 10.363 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.813 9.069 12.636 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.725 7.608 12.959 1.00 12.45 H new ATOM 0 HG SER A 92 10.675 8.907 12.437 1.00 11.51 H new ATOM 1580 N THR A 93 9.149 6.126 9.759 1.00 61.14 N ATOM 1581 CA THR A 93 9.893 4.929 9.402 1.00 63.22 C ATOM 1582 C THR A 93 10.070 4.844 7.885 1.00 21.35 C ATOM 1583 O THR A 93 9.181 5.232 7.130 1.00 40.15 O ATOM 1584 CB THR A 93 9.165 3.724 9.998 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.335 3.875 11.405 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.863 2.400 9.677 1.00 72.01 C ATOM 0 H THR A 93 8.243 6.217 9.300 1.00 61.14 H new ATOM 0 HA THR A 93 10.902 4.953 9.814 1.00 63.22 H new ATOM 0 HB THR A 93 8.143 3.696 9.621 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.891 3.135 11.869 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.305 1.577 10.124 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.907 2.264 8.596 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.875 2.415 10.082 1.00 72.01 H new ATOM 1594 N PRO A 94 11.257 4.320 7.474 1.00 14.14 N ATOM 1595 CA PRO A 94 11.562 4.178 6.060 1.00 74.20 C ATOM 1596 C PRO A 94 10.792 3.007 5.447 1.00 15.02 C ATOM 1597 O PRO A 94 10.636 1.964 6.080 1.00 45.33 O ATOM 1598 CB PRO A 94 13.069 3.996 5.999 1.00 44.34 C ATOM 1599 CG PRO A 94 13.495 3.577 7.398 1.00 22.42 C ATOM 1600 CD PRO A 94 12.334 3.850 8.339 1.00 54.04 C ATOM 0 HA PRO A 94 11.255 5.045 5.475 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.342 3.238 5.264 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.562 4.921 5.701 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.761 2.520 7.416 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.379 4.133 7.711 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.043 2.950 8.880 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.597 4.599 9.086 1.00 54.04 H new ATOM 1608 N ILE A 95 10.333 3.219 4.223 1.00 43.23 N ATOM 1609 CA ILE A 95 9.583 2.193 3.517 1.00 11.34 C ATOM 1610 C ILE A 95 10.371 0.882 3.543 1.00 4.52 C ATOM 1611 O ILE A 95 9.798 -0.196 3.392 1.00 11.01 O ATOM 1612 CB ILE A 95 9.223 2.667 2.108 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.151 1.769 1.485 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.470 2.765 1.227 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.832 2.526 1.317 1.00 23.35 C ATOM 0 H ILE A 95 10.466 4.086 3.702 1.00 43.23 H new ATOM 0 HA ILE A 95 8.633 2.004 4.017 1.00 11.34 H new ATOM 0 HB ILE A 95 8.801 3.669 2.182 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.493 1.407 0.515 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.994 0.893 2.115 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.186 3.104 0.231 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.171 3.475 1.666 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.943 1.786 1.156 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.088 1.866 0.872 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.481 2.865 2.291 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.987 3.387 0.667 1.00 23.35 H new ATOM 1627 N SER A 96 11.676 1.018 3.734 1.00 11.42 N ATOM 1628 CA SER A 96 12.550 -0.143 3.781 1.00 51.52 C ATOM 1629 C SER A 96 12.278 -0.951 5.051 1.00 41.31 C ATOM 1630 O SER A 96 12.307 -2.181 5.026 1.00 24.42 O ATOM 1631 CB SER A 96 14.021 0.274 3.722 1.00 73.11 C ATOM 1632 OG SER A 96 14.320 1.310 4.654 1.00 50.12 O ATOM 0 H SER A 96 12.149 1.913 3.858 1.00 11.42 H new ATOM 0 HA SER A 96 12.341 -0.765 2.911 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.652 -0.591 3.927 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.262 0.612 2.714 1.00 73.11 H new ATOM 0 HG SER A 96 15.269 1.547 4.587 1.00 50.12 H new ATOM 1638 N GLU A 97 12.018 -0.229 6.130 1.00 73.25 N ATOM 1639 CA GLU A 97 11.742 -0.864 7.408 1.00 22.40 C ATOM 1640 C GLU A 97 10.254 -1.203 7.520 1.00 74.43 C ATOM 1641 O GLU A 97 9.894 -2.341 7.819 1.00 53.53 O ATOM 1642 CB GLU A 97 12.191 0.023 8.570 1.00 24.31 C ATOM 1643 CG GLU A 97 13.696 0.287 8.510 1.00 14.32 C ATOM 1644 CD GLU A 97 14.481 -0.872 9.129 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.159 -1.314 10.241 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.457 -1.314 8.411 1.00 21.14 O ATOM 0 H GLU A 97 11.992 0.791 6.146 1.00 73.25 H new ATOM 0 HA GLU A 97 12.312 -1.791 7.462 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.651 0.969 8.539 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.940 -0.457 9.516 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.003 0.427 7.474 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.928 1.212 9.039 1.00 14.32 H new ATOM 1654 N VAL A 98 9.429 -0.195 7.274 1.00 73.03 N ATOM 1655 CA VAL A 98 7.989 -0.373 7.344 1.00 14.31 C ATOM 1656 C VAL A 98 7.604 -1.672 6.633 1.00 14.23 C ATOM 1657 O VAL A 98 6.672 -2.358 7.048 1.00 62.31 O ATOM 1658 CB VAL A 98 7.282 0.857 6.767 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.818 0.547 6.449 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.397 2.051 7.718 1.00 53.40 C ATOM 0 H VAL A 98 9.731 0.747 7.026 1.00 73.03 H new ATOM 0 HA VAL A 98 7.665 -0.462 8.381 1.00 14.31 H new ATOM 0 HB VAL A 98 7.778 1.124 5.834 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.338 1.436 6.041 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.767 -0.260 5.718 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.304 0.244 7.361 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.887 2.911 7.285 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.938 1.800 8.674 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.448 2.293 7.873 1.00 53.40 H new ATOM 1670 N TYR A 99 8.342 -1.970 5.574 1.00 23.41 N ATOM 1671 CA TYR A 99 8.090 -3.175 4.801 1.00 72.23 C ATOM 1672 C TYR A 99 8.724 -4.397 5.468 1.00 41.42 C ATOM 1673 O TYR A 99 8.181 -5.498 5.400 1.00 44.51 O ATOM 1674 CB TYR A 99 8.752 -2.949 3.441 1.00 73.42 C ATOM 1675 CG TYR A 99 9.087 -4.240 2.690 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.117 -5.047 3.128 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.357 -4.599 1.574 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.432 -6.260 2.422 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.671 -5.813 0.868 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.694 -6.584 1.326 1.00 12.34 C ATOM 1681 OH TYR A 99 9.990 -7.731 0.659 1.00 34.03 O ATOM 0 H TYR A 99 9.115 -1.398 5.233 1.00 23.41 H new ATOM 0 HA TYR A 99 7.019 -3.362 4.719 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.091 -2.342 2.823 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.668 -2.376 3.585 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.687 -4.768 4.002 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.550 -3.968 1.231 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.236 -6.899 2.755 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.107 -6.105 -0.006 1.00 65.15 H new ATOM 0 HH TYR A 99 9.324 -7.882 -0.044 1.00 34.03 H new ATOM 1691 N GLU A 100 9.866 -4.161 6.098 1.00 24.12 N ATOM 1692 CA GLU A 100 10.580 -5.229 6.777 1.00 10.14 C ATOM 1693 C GLU A 100 9.937 -5.519 8.135 1.00 24.24 C ATOM 1694 O GLU A 100 10.348 -6.441 8.836 1.00 64.34 O ATOM 1695 CB GLU A 100 12.062 -4.882 6.936 1.00 52.12 C ATOM 1696 CG GLU A 100 12.336 -4.260 8.306 1.00 41.55 C ATOM 1697 CD GLU A 100 13.810 -3.873 8.447 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.363 -3.934 9.555 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.384 -3.500 7.354 1.00 74.24 O ATOM 0 H GLU A 100 10.314 -3.246 6.152 1.00 24.12 H new ATOM 0 HA GLU A 100 10.514 -6.129 6.166 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.665 -5.782 6.814 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.363 -4.188 6.151 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.710 -3.378 8.441 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.065 -4.966 9.091 1.00 41.55 H new ATOM 1707 N SER A 101 8.937 -4.713 8.464 1.00 23.43 N ATOM 1708 CA SER A 101 8.234 -4.871 9.725 1.00 33.22 C ATOM 1709 C SER A 101 6.768 -5.228 9.464 1.00 63.15 C ATOM 1710 O SER A 101 5.985 -5.373 10.403 1.00 0.10 O ATOM 1711 CB SER A 101 8.329 -3.601 10.573 1.00 23.11 C ATOM 1712 OG SER A 101 9.549 -3.539 11.307 1.00 11.13 O ATOM 0 H SER A 101 8.598 -3.949 7.879 1.00 23.43 H new ATOM 0 HA SER A 101 8.706 -5.681 10.281 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.250 -2.727 9.927 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.487 -3.563 11.265 1.00 23.11 H new ATOM 0 HG SER A 101 9.572 -2.713 11.834 1.00 11.13 H new ATOM 1718 N GLU A 102 6.443 -5.357 8.187 1.00 74.03 N ATOM 1719 CA GLU A 102 5.085 -5.694 7.792 1.00 73.55 C ATOM 1720 C GLU A 102 5.095 -6.859 6.800 1.00 44.54 C ATOM 1721 O GLU A 102 4.378 -7.841 6.985 1.00 34.43 O ATOM 1722 CB GLU A 102 4.369 -4.477 7.202 1.00 0.30 C ATOM 1723 CG GLU A 102 4.127 -3.411 8.273 1.00 75.10 C ATOM 1724 CD GLU A 102 2.829 -3.684 9.036 1.00 24.40 C ATOM 1725 OE1 GLU A 102 1.832 -2.976 8.837 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.881 -4.676 9.860 1.00 73.01 O ATOM 0 H GLU A 102 7.095 -5.235 7.412 1.00 74.03 H new ATOM 0 HA GLU A 102 4.534 -6.004 8.680 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.966 -4.056 6.393 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.417 -4.785 6.769 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.965 -3.393 8.969 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.079 -2.427 7.807 1.00 75.10 H new ATOM 1734 N ARG A 103 5.913 -6.711 5.770 1.00 73.01 N ATOM 1735 CA ARG A 103 6.025 -7.738 4.749 1.00 11.32 C ATOM 1736 C ARG A 103 5.918 -9.128 5.380 1.00 10.30 C ATOM 1737 O ARG A 103 6.218 -9.302 6.561 1.00 22.34 O ATOM 1738 CB ARG A 103 7.354 -7.628 3.999 1.00 73.24 C ATOM 1739 CG ARG A 103 8.527 -8.019 4.900 1.00 1.11 C ATOM 1740 CD ARG A 103 8.736 -9.534 4.901 1.00 64.23 C ATOM 1741 NE ARG A 103 10.180 -9.846 4.989 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.680 -11.096 5.097 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.853 -12.163 5.132 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.987 -11.259 5.169 1.00 53.31 N ATOM 0 H ARG A 103 6.506 -5.894 5.620 1.00 73.01 H new ATOM 0 HA ARG A 103 5.209 -7.592 4.042 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.334 -8.274 3.121 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.490 -6.607 3.641 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.435 -7.523 4.557 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.340 -7.673 5.917 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.207 -9.982 5.742 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.317 -9.968 3.993 1.00 64.23 H new ATOM 0 HE ARG A 103 10.839 -9.068 4.967 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.844 -12.028 5.077 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.238 -13.104 5.214 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.604 -10.447 5.143 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.380 -12.197 5.251 1.00 53.31 H new ATOM 1757 N ASP A 104 5.491 -10.082 4.566 1.00 3.22 N ATOM 1758 CA ASP A 104 5.341 -11.450 5.031 1.00 24.23 C ATOM 1759 C ASP A 104 6.337 -12.346 4.293 1.00 52.11 C ATOM 1760 O ASP A 104 7.155 -11.861 3.512 1.00 14.33 O ATOM 1761 CB ASP A 104 3.933 -11.977 4.748 1.00 21.34 C ATOM 1762 CG ASP A 104 2.991 -11.986 5.954 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.404 -12.288 7.084 1.00 13.53 O ATOM 1764 OD2 ASP A 104 1.769 -11.663 5.695 1.00 12.42 O ATOM 0 H ASP A 104 5.244 -9.935 3.587 1.00 3.22 H new ATOM 0 HA ASP A 104 5.522 -11.462 6.106 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.486 -11.370 3.961 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.013 -12.993 4.361 1.00 21.34 H new ATOM 1770 N GLU A 105 6.237 -13.640 4.566 1.00 4.45 N ATOM 1771 CA GLU A 105 7.120 -14.608 3.938 1.00 23.41 C ATOM 1772 C GLU A 105 7.349 -14.244 2.470 1.00 43.50 C ATOM 1773 O GLU A 105 8.489 -14.071 2.041 1.00 71.12 O ATOM 1774 CB GLU A 105 6.559 -16.025 4.069 1.00 74.25 C ATOM 1775 CG GLU A 105 6.084 -16.297 5.498 1.00 61.33 C ATOM 1776 CD GLU A 105 6.149 -17.791 5.822 1.00 54.43 C ATOM 1777 OE1 GLU A 105 7.206 -18.290 6.238 1.00 41.24 O ATOM 1778 OE2 GLU A 105 5.051 -18.440 5.631 1.00 31.11 O ATOM 0 H GLU A 105 5.558 -14.040 5.214 1.00 4.45 H new ATOM 0 HA GLU A 105 8.081 -14.582 4.453 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.729 -16.157 3.375 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.324 -16.750 3.792 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.702 -15.741 6.203 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.062 -15.939 5.620 1.00 61.33 H new ATOM 1786 N ASP A 106 6.248 -14.136 1.741 1.00 14.21 N ATOM 1787 CA ASP A 106 6.316 -13.795 0.330 1.00 71.01 C ATOM 1788 C ASP A 106 7.258 -12.603 0.142 1.00 12.41 C ATOM 1789 O ASP A 106 8.113 -12.617 -0.742 1.00 41.35 O ATOM 1790 CB ASP A 106 4.940 -13.398 -0.208 1.00 4.22 C ATOM 1791 CG ASP A 106 4.192 -12.362 0.633 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.625 -12.001 1.738 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.104 -11.912 0.104 1.00 55.23 O ATOM 0 H ASP A 106 5.304 -14.279 2.101 1.00 14.21 H new ATOM 0 HA ASP A 106 6.676 -14.670 -0.211 1.00 71.01 H new ATOM 0 HB2 ASP A 106 5.061 -13.006 -1.218 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.324 -14.294 -0.286 1.00 4.22 H new ATOM 1799 N GLY A 107 7.069 -11.601 0.989 1.00 33.44 N ATOM 1800 CA GLY A 107 7.891 -10.405 0.927 1.00 23.13 C ATOM 1801 C GLY A 107 7.153 -9.268 0.215 1.00 31.21 C ATOM 1802 O GLY A 107 7.779 -8.337 -0.288 1.00 13.31 O ATOM 0 H GLY A 107 6.359 -11.593 1.721 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.161 -10.092 1.936 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.820 -10.625 0.402 1.00 23.13 H new ATOM 1806 N PHE A 108 5.834 -9.384 0.197 1.00 52.33 N ATOM 1807 CA PHE A 108 5.004 -8.378 -0.444 1.00 14.14 C ATOM 1808 C PHE A 108 4.196 -7.591 0.591 1.00 21.33 C ATOM 1809 O PHE A 108 3.558 -8.179 1.462 1.00 22.32 O ATOM 1810 CB PHE A 108 4.037 -9.119 -1.371 1.00 51.42 C ATOM 1811 CG PHE A 108 4.263 -8.837 -2.859 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.388 -7.556 -3.296 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.338 -9.869 -3.741 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.597 -7.295 -4.676 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.547 -9.608 -5.122 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.672 -8.326 -5.560 1.00 4.21 C ATOM 0 H PHE A 108 5.319 -10.159 0.616 1.00 52.33 H new ATOM 0 HA PHE A 108 5.631 -7.672 -0.989 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.131 -10.191 -1.196 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.016 -8.842 -1.110 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.328 -6.737 -2.594 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.239 -10.886 -3.392 1.00 32.51 H new ATOM 0 HE1 PHE A 108 4.696 -6.277 -5.024 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.607 -10.427 -5.824 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.831 -8.127 -6.610 1.00 4.21 H new ATOM 1826 N LEU A 109 4.253 -6.274 0.461 1.00 21.41 N ATOM 1827 CA LEU A 109 3.534 -5.402 1.375 1.00 35.21 C ATOM 1828 C LEU A 109 2.058 -5.359 0.978 1.00 20.13 C ATOM 1829 O LEU A 109 1.731 -5.199 -0.198 1.00 53.12 O ATOM 1830 CB LEU A 109 4.196 -4.024 1.431 1.00 71.00 C ATOM 1831 CG LEU A 109 5.058 -3.742 2.664 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.217 -3.148 3.796 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.809 -5.000 3.106 1.00 53.35 C ATOM 0 H LEU A 109 4.785 -5.790 -0.262 1.00 21.41 H new ATOM 0 HA LEU A 109 3.579 -5.794 2.391 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.817 -3.905 0.543 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.415 -3.265 1.377 1.00 71.00 H new ATOM 0 HG LEU A 109 5.807 -2.997 2.395 1.00 51.53 H new ATOM 0 HD11 LEU A 109 4.853 -2.957 4.660 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.767 -2.213 3.463 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.431 -3.851 4.072 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.414 -4.773 3.984 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.093 -5.784 3.352 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.456 -5.340 2.298 1.00 53.35 H new ATOM 1845 N TYR A 110 1.203 -5.504 1.981 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.231 -5.483 1.751 1.00 32.34 C ATOM 1847 C TYR A 110 -0.878 -4.274 2.428 1.00 41.52 C ATOM 1848 O TYR A 110 -1.003 -4.235 3.651 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.778 -6.763 2.387 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.360 -8.045 1.666 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -1.141 -8.549 0.645 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.798 -8.698 2.034 1.00 65.35 C ATOM 1853 CE1 TYR A 110 -0.748 -9.756 -0.035 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.192 -9.905 1.355 1.00 23.30 C ATOM 1855 CZ TYR A 110 0.400 -10.374 0.354 1.00 64.21 C ATOM 1856 OH TYR A 110 0.771 -11.515 -0.287 1.00 75.44 O ATOM 0 H TYR A 110 1.477 -5.636 2.955 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.448 -5.420 0.685 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.441 -6.815 3.422 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.866 -6.709 2.408 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -2.047 -8.038 0.356 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.410 -8.304 2.832 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -1.350 -10.161 -0.835 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.096 -10.426 1.634 1.00 23.30 H new ATOM 0 HH TYR A 110 1.602 -11.855 0.105 1.00 75.44 H new ATOM 1866 N MET A 111 -1.272 -3.315 1.603 1.00 11.54 N ATOM 1867 CA MET A 111 -1.904 -2.107 2.108 1.00 54.55 C ATOM 1868 C MET A 111 -3.140 -1.748 1.280 1.00 15.42 C ATOM 1869 O MET A 111 -3.172 -1.981 0.073 1.00 64.01 O ATOM 1870 CB MET A 111 -0.903 -0.950 2.059 1.00 60.14 C ATOM 1871 CG MET A 111 0.518 -1.443 2.336 1.00 4.13 C ATOM 1872 SD MET A 111 1.599 -0.053 2.634 1.00 11.21 S ATOM 1873 CE MET A 111 2.934 -0.454 1.519 1.00 41.54 C ATOM 0 H MET A 111 -1.166 -3.349 0.589 1.00 11.54 H new ATOM 0 HA MET A 111 -2.218 -2.285 3.136 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.942 -0.472 1.080 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.179 -0.194 2.794 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.519 -2.107 3.200 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.883 -2.023 1.488 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.863 -0.546 2.082 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.718 -1.397 1.017 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.037 0.337 0.776 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.126 -1.186 1.963 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.361 -0.793 1.307 1.00 51.41 C ATOM 1885 C VAL A 112 -5.505 0.730 1.369 1.00 34.21 C ATOM 1886 O VAL A 112 -5.142 1.350 2.368 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.546 -1.531 1.934 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.859 -0.801 1.650 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.608 -2.980 1.448 1.00 14.04 C ATOM 0 H VAL A 112 -4.095 -0.993 2.964 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.340 -1.075 0.254 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.398 -1.546 3.014 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.685 -1.347 2.107 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.814 0.205 2.067 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.016 -0.740 0.573 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.459 -3.482 1.908 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.721 -2.996 0.364 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.689 -3.496 1.725 1.00 14.04 H new ATOM 1899 N TYR A 113 -6.034 1.287 0.290 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.230 2.724 0.211 1.00 64.13 C ATOM 1901 C TYR A 113 -7.718 3.070 0.114 1.00 45.34 C ATOM 1902 O TYR A 113 -8.514 2.272 -0.377 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.530 3.174 -1.073 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.376 3.006 -2.336 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.438 3.855 -2.573 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -6.078 2.004 -3.238 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -8.235 3.696 -3.763 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.875 1.846 -4.427 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.914 2.700 -4.631 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.666 2.550 -5.753 1.00 43.21 O ATOM 0 H TYR A 113 -6.333 0.769 -0.536 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.833 3.215 1.099 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.250 4.223 -0.973 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.607 2.607 -1.189 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.672 4.638 -1.867 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -5.248 1.339 -3.052 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -9.069 4.353 -3.961 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.653 1.067 -5.141 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.516 3.312 -6.351 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.047 4.261 0.590 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.425 4.724 0.563 1.00 1.44 C ATOM 1922 C ALA A 114 -9.452 6.243 0.741 1.00 2.12 C ATOM 1923 O ALA A 114 -8.408 6.870 0.914 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.228 3.995 1.643 1.00 12.02 C ATOM 0 H ALA A 114 -7.384 4.920 0.997 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.888 4.497 -0.397 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.261 4.341 1.624 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.201 2.922 1.454 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.794 4.202 2.621 1.00 12.02 H new ATOM 1930 N SER A 115 -10.658 6.790 0.693 1.00 54.31 N ATOM 1931 CA SER A 115 -10.836 8.225 0.847 1.00 61.52 C ATOM 1932 C SER A 115 -11.086 8.566 2.317 1.00 53.55 C ATOM 1933 O SER A 115 -11.617 9.631 2.628 1.00 63.34 O ATOM 1934 CB SER A 115 -11.989 8.733 -0.020 1.00 1.23 C ATOM 1935 OG SER A 115 -12.310 10.092 0.262 1.00 60.44 O ATOM 0 H SER A 115 -11.521 6.266 0.550 1.00 54.31 H new ATOM 0 HA SER A 115 -9.923 8.721 0.516 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.722 8.634 -1.072 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.869 8.111 0.146 1.00 1.23 H new ATOM 0 HG SER A 115 -12.010 10.659 -0.478 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.689 7.643 3.181 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.863 7.833 4.612 1.00 53.23 C ATOM 1943 C GLN A 116 -9.762 7.103 5.382 1.00 50.42 C ATOM 1944 O GLN A 116 -9.252 6.082 4.923 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.249 7.368 5.062 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.443 7.591 6.563 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.914 7.841 6.896 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.811 7.558 6.118 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.113 8.386 8.093 1.00 55.11 N ATOM 0 H GLN A 116 -10.248 6.762 2.918 1.00 43.31 H new ATOM 0 HA GLN A 116 -10.785 8.898 4.830 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.016 7.910 4.508 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.375 6.311 4.829 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -12.085 6.720 7.112 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.844 8.441 6.888 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -13.318 8.598 8.695 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.061 8.592 8.408 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.429 7.654 6.539 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.398 7.067 7.378 1.00 34.21 C ATOM 1960 C GLU A 117 -8.949 6.785 8.779 1.00 42.32 C ATOM 1961 O GLU A 117 -8.240 6.258 9.634 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.166 7.971 7.446 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.497 7.884 8.820 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.250 8.769 8.878 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.340 8.613 8.051 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.247 9.644 9.826 1.00 14.44 O ATOM 0 H GLU A 117 -9.855 8.501 6.916 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.090 6.121 6.933 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.455 7.681 6.672 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.455 9.002 7.243 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.202 8.192 9.592 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.224 6.850 9.031 1.00 44.23 H new ATOM 1974 N THR A 118 -10.208 7.149 8.968 1.00 32.30 N ATOM 1975 CA THR A 118 -10.862 6.943 10.250 1.00 34.24 C ATOM 1976 C THR A 118 -12.261 6.360 10.045 1.00 33.31 C ATOM 1977 O THR A 118 -13.245 6.911 10.537 1.00 43.32 O ATOM 1978 CB THR A 118 -10.863 8.276 11.001 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.507 9.178 10.105 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.457 8.855 11.166 1.00 11.22 C ATOM 0 H THR A 118 -10.793 7.585 8.256 1.00 32.30 H new ATOM 0 HA THR A 118 -10.325 6.214 10.856 1.00 34.24 H new ATOM 0 HB THR A 118 -11.317 8.140 11.983 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.552 10.068 10.513 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.514 9.801 11.705 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.838 8.154 11.727 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.015 9.023 10.184 1.00 11.22 H new ATOM 2085 N ASP B 337 8.646 -5.221 -15.025 1.00 34.41 N ATOM 2086 CA ASP B 337 8.748 -4.227 -13.970 1.00 41.12 C ATOM 2087 C ASP B 337 7.347 -3.732 -13.604 1.00 44.23 C ATOM 2088 O ASP B 337 6.526 -3.477 -14.483 1.00 22.34 O ATOM 2089 CB ASP B 337 9.570 -3.021 -14.428 1.00 74.41 C ATOM 2090 CG ASP B 337 9.197 -2.468 -15.804 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.729 -1.439 -16.245 1.00 11.21 O ATOM 2092 OD2 ASP B 337 8.306 -3.150 -16.442 1.00 24.22 O ATOM 0 HA ASP B 337 9.236 -4.693 -13.114 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.460 -2.225 -13.692 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.623 -3.302 -14.439 1.00 74.41 H new ATOM 2098 N TRP B 338 7.117 -3.613 -12.305 1.00 31.21 N ATOM 2099 CA TRP B 338 5.829 -3.153 -11.811 1.00 33.50 C ATOM 2100 C TRP B 338 5.674 -1.680 -12.197 1.00 43.13 C ATOM 2101 O TRP B 338 4.966 -1.356 -13.149 1.00 24.04 O ATOM 2102 CB TRP B 338 5.701 -3.395 -10.306 1.00 13.13 C ATOM 2103 CG TRP B 338 6.082 -4.810 -9.869 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.279 -5.888 -10.641 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.306 -5.260 -8.515 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.612 -6.995 -9.887 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.629 -6.602 -8.554 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.238 -4.558 -7.299 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.909 -7.356 -7.409 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.520 -5.326 -6.164 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.847 -6.676 -6.186 1.00 22.23 C ATOM 0 H TRP B 338 7.800 -3.827 -11.579 1.00 31.21 H new ATOM 0 HA TRP B 338 5.016 -3.719 -12.266 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.333 -2.680 -9.778 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.673 -3.196 -10.003 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.189 -5.890 -11.717 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.809 -7.930 -10.243 1.00 24.21 H new ATOM 0 HE3 TRP B 338 5.988 -3.509 -7.245 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.159 -8.405 -7.465 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.481 -4.835 -5.203 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.053 -7.199 -5.264 1.00 22.23 H new ATOM 2122 N THR B 339 6.347 -0.829 -11.436 1.00 11.15 N ATOM 2123 CA THR B 339 6.292 0.601 -11.686 1.00 63.24 C ATOM 2124 C THR B 339 7.477 1.304 -11.023 1.00 75.25 C ATOM 2125 O THR B 339 8.337 0.653 -10.431 1.00 55.55 O ATOM 2126 CB THR B 339 4.933 1.114 -11.202 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.616 2.164 -12.111 1.00 20.42 O ATOM 2128 CG2 THR B 339 5.021 1.810 -9.843 1.00 73.05 C ATOM 0 H THR B 339 6.933 -1.102 -10.647 1.00 11.15 H new ATOM 0 HA THR B 339 6.378 0.820 -12.750 1.00 63.24 H new ATOM 0 HB THR B 339 4.232 0.282 -11.138 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.264 1.782 -12.942 1.00 20.42 H new ATOM 0 HG21 THR B 339 4.031 2.155 -9.546 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.400 1.109 -9.099 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.696 2.663 -9.914 1.00 73.05 H new ATOM 2136 N HIS B 340 7.486 2.624 -11.145 1.00 23.10 N ATOM 2137 CA HIS B 340 8.554 3.422 -10.565 1.00 53.35 C ATOM 2138 C HIS B 340 7.952 4.571 -9.754 1.00 55.35 C ATOM 2139 O HIS B 340 7.317 5.464 -10.313 1.00 75.31 O ATOM 2140 CB HIS B 340 9.522 3.902 -11.646 1.00 52.13 C ATOM 2141 CG HIS B 340 9.184 3.413 -13.035 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.771 2.293 -13.598 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.315 3.901 -13.966 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.271 2.125 -14.813 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.369 3.123 -15.039 1.00 32.50 N ATOM 0 H HIS B 340 6.771 3.161 -11.637 1.00 23.10 H new ATOM 0 HA HIS B 340 9.141 2.809 -9.881 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.536 4.992 -11.649 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.529 3.571 -11.391 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.689 4.773 -13.849 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.532 1.336 -15.503 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.825 3.250 -15.893 1.00 32.50 H new ATOM 2153 N LEU B 341 8.170 4.510 -8.448 1.00 42.45 N ATOM 2154 CA LEU B 341 7.658 5.535 -7.555 1.00 42.21 C ATOM 2155 C LEU B 341 8.661 6.688 -7.479 1.00 60.12 C ATOM 2156 O LEU B 341 9.505 6.723 -6.585 1.00 1.40 O ATOM 2157 CB LEU B 341 7.309 4.933 -6.193 1.00 45.14 C ATOM 2158 CG LEU B 341 6.167 3.913 -6.183 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.904 4.512 -5.560 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.909 3.365 -7.587 1.00 55.44 C ATOM 0 H LEU B 341 8.694 3.766 -7.987 1.00 42.45 H new ATOM 0 HA LEU B 341 6.727 5.948 -7.944 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.201 4.454 -5.790 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.050 5.746 -5.514 1.00 45.14 H new ATOM 0 HG LEU B 341 6.466 3.071 -5.559 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.108 3.768 -5.565 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.113 4.814 -4.534 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.591 5.382 -6.137 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.093 2.643 -7.551 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.640 4.184 -8.254 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.810 2.877 -7.958 1.00 55.44 H new ATOM 2172 N SER B 342 8.535 7.603 -8.429 1.00 53.43 N ATOM 2173 CA SER B 342 9.420 8.754 -8.480 1.00 62.22 C ATOM 2174 C SER B 342 8.811 9.918 -7.696 1.00 15.10 C ATOM 2175 O SER B 342 7.686 10.335 -7.970 1.00 21.54 O ATOM 2176 CB SER B 342 9.695 9.173 -9.926 1.00 33.03 C ATOM 2177 OG SER B 342 9.537 8.088 -10.836 1.00 21.10 O ATOM 0 H SER B 342 7.834 7.571 -9.169 1.00 53.43 H new ATOM 0 HA SER B 342 10.370 8.476 -8.024 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.018 9.981 -10.204 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.709 9.566 -10.003 1.00 33.03 H new ATOM 0 HG SER B 342 9.720 8.397 -11.748 1.00 21.10 H new ATOM 2183 N SER B 343 9.580 10.411 -6.737 1.00 0.25 N ATOM 2184 CA SER B 343 9.130 11.519 -5.912 1.00 53.03 C ATOM 2185 C SER B 343 9.362 12.844 -6.643 1.00 5.52 C ATOM 2186 O SER B 343 9.048 13.910 -6.117 1.00 30.55 O ATOM 2187 CB SER B 343 9.848 11.526 -4.561 1.00 24.32 C ATOM 2188 OG SER B 343 10.985 12.385 -4.565 1.00 14.53 O ATOM 0 H SER B 343 10.512 10.063 -6.513 1.00 0.25 H new ATOM 0 HA SER B 343 8.063 11.396 -5.726 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.154 11.846 -3.784 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.161 10.512 -4.311 1.00 24.32 H new ATOM 0 HG SER B 343 11.415 12.363 -3.685 1.00 14.53 H new ATOM 2194 N LYS B 344 9.908 12.732 -7.844 1.00 41.31 N ATOM 2195 CA LYS B 344 10.185 13.908 -8.653 1.00 25.42 C ATOM 2196 C LYS B 344 8.933 14.278 -9.450 1.00 71.41 C ATOM 2197 O LYS B 344 8.657 15.458 -9.667 1.00 5.30 O ATOM 2198 CB LYS B 344 11.423 13.680 -9.523 1.00 31.02 C ATOM 2199 CG LYS B 344 11.387 12.297 -10.177 1.00 5.42 C ATOM 2200 CD LYS B 344 12.281 11.310 -9.422 1.00 64.43 C ATOM 2201 CE LYS B 344 12.985 10.358 -10.391 1.00 14.43 C ATOM 2202 NZ LYS B 344 13.223 9.046 -9.747 1.00 22.20 N ATOM 0 H LYS B 344 10.166 11.846 -8.277 1.00 41.31 H new ATOM 0 HA LYS B 344 10.423 14.761 -8.018 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.477 14.449 -10.293 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.322 13.775 -8.914 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.362 11.925 -10.194 1.00 5.42 H new ATOM 0 HG3 LYS B 344 11.716 12.372 -11.213 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.023 11.857 -8.840 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.681 10.737 -8.715 1.00 64.43 H new ATOM 0 HE2 LYS B 344 12.377 10.226 -11.286 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.933 10.790 -10.711 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.175 8.707 -9.991 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.146 9.147 -8.715 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 12.515 8.361 -10.082 1.00 22.20 H new ATOM 2215 N GLU B 345 8.208 13.250 -9.867 1.00 53.15 N ATOM 2216 CA GLU B 345 6.992 13.454 -10.636 1.00 4.44 C ATOM 2217 C GLU B 345 5.879 13.993 -9.735 1.00 23.22 C ATOM 2218 O GLU B 345 4.788 14.304 -10.209 1.00 21.12 O ATOM 2219 CB GLU B 345 6.559 12.160 -11.329 1.00 53.02 C ATOM 2220 CG GLU B 345 7.734 11.511 -12.061 1.00 14.22 C ATOM 2221 CD GLU B 345 7.813 11.997 -13.509 1.00 0.42 C ATOM 2222 OE1 GLU B 345 8.492 11.371 -14.338 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.137 13.065 -13.764 1.00 24.43 O ATOM 0 H GLU B 345 8.440 12.273 -9.687 1.00 53.15 H new ATOM 0 HA GLU B 345 7.194 14.193 -11.412 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.157 11.465 -10.592 1.00 53.02 H new ATOM 0 HB3 GLU B 345 5.758 12.373 -12.037 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.664 11.746 -11.543 1.00 14.22 H new ATOM 0 HG3 GLU B 345 7.624 10.427 -12.043 1.00 14.22 H new ATOM 2231 N VAL B 346 6.193 14.087 -8.451 1.00 4.42 N ATOM 2232 CA VAL B 346 5.234 14.584 -7.480 1.00 33.24 C ATOM 2233 C VAL B 346 5.534 16.053 -7.178 1.00 64.22 C ATOM 2234 O VAL B 346 6.355 16.675 -7.850 1.00 4.44 O ATOM 2235 CB VAL B 346 5.249 13.701 -6.231 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.293 12.219 -6.607 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.417 14.069 -5.314 1.00 13.23 C ATOM 0 H VAL B 346 7.099 13.827 -8.061 1.00 4.42 H new ATOM 0 HA VAL B 346 4.223 14.536 -7.883 1.00 33.24 H new ATOM 0 HB VAL B 346 4.324 13.880 -5.683 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.303 11.614 -5.701 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.414 11.968 -7.201 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.193 12.018 -7.188 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.405 13.427 -4.434 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.357 13.933 -5.849 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.323 15.110 -5.005 1.00 13.23 H new ATOM 2247 N ASP B 347 4.852 16.567 -6.164 1.00 64.45 N ATOM 2248 CA ASP B 347 5.036 17.951 -5.763 1.00 13.23 C ATOM 2249 C ASP B 347 5.704 17.996 -4.387 1.00 41.10 C ATOM 2250 O ASP B 347 6.060 19.068 -3.901 1.00 60.02 O ATOM 2251 CB ASP B 347 3.693 18.678 -5.661 1.00 11.14 C ATOM 2252 CG ASP B 347 3.786 20.158 -5.284 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.830 20.743 -4.754 1.00 44.22 O ATOM 2254 OD2 ASP B 347 4.913 20.721 -5.560 1.00 54.24 O ATOM 0 H ASP B 347 4.171 16.049 -5.608 1.00 64.45 H new ATOM 0 HA ASP B 347 5.655 18.440 -6.515 1.00 13.23 H new ATOM 0 HB2 ASP B 347 3.178 18.594 -6.618 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.076 18.168 -4.921 1.00 11.14 H new