USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 979 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 127 GLN : amide:sc= -1.97! C(o=-4!,f=-5.7!) USER MOD Set 1.2: A 147 GLN : amide:sc= -2.04! C(o=-4!,f=-5.7!) USER MOD Set 2.1: A 99 LYS NZ :NH3+ -160:sc= -0.415 (180deg=-0.887) USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 THR OG1 : rot 33:sc= 0.391 USER MOD Set 3.2: A 139 MET CE :methyl -151:sc= -1.57 (180deg=-2.69) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 0:sc= 0.529 USER MOD Single : A 24 CYS SG : rot 49:sc= -1.93 USER MOD Single : A 28 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.7!) USER MOD Single : A 35 GLN : amide:sc= -2.61 K(o=-2.6,f=-5.9!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.415 K(o=-0.42,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= -6.17! C(o=-6.2!,f=-5.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.00399 X(o=0.004,f=-0.083) USER MOD Single : A 87 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.8!) USER MOD Single : A 93 HIS :FLIP no HE2:sc= 0.143 F(o=-0.76,f=0.14) USER MOD Single : A 94 THR OG1 : rot 48:sc= 0.0537 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.13) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 165:sc= 0 USER MOD Single : A 116 THR OG1 : rot -10:sc= 0.438 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 131 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.2) USER MOD Single : A 132 THR OG1 : rot -19:sc= 0.934 USER MOD Single : A 136 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -177:sc= -0.127 (180deg=-0.146) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 1.463 -19.765 -1.028 1.00 0.00 N ATOM 208 CA PRO A 16 1.302 -18.451 -0.397 1.00 0.00 C ATOM 209 C PRO A 16 2.386 -18.170 0.639 1.00 0.00 C ATOM 210 O PRO A 16 2.715 -17.015 0.909 1.00 0.00 O ATOM 211 CB PRO A 16 -0.069 -18.545 0.276 1.00 0.00 C ATOM 212 CG PRO A 16 -0.274 -20.002 0.517 1.00 0.00 C ATOM 213 CD PRO A 16 0.408 -20.709 -0.621 1.00 0.00 C ATOM 0 HA PRO A 16 1.381 -17.639 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.091 -17.982 1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.852 -18.135 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.151 -20.303 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.336 -20.247 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.825 -21.666 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.284 -20.915 -1.438 1.00 0.00 H new ATOM 221 N ARG A 17 2.937 -19.233 1.215 1.00 0.00 N ATOM 222 CA ARG A 17 3.984 -19.100 2.221 1.00 0.00 C ATOM 223 C ARG A 17 4.932 -17.955 1.872 1.00 0.00 C ATOM 224 O ARG A 17 5.393 -17.230 2.752 1.00 0.00 O ATOM 225 CB ARG A 17 4.769 -20.406 2.347 1.00 0.00 C ATOM 226 CG ARG A 17 3.902 -21.609 2.681 1.00 0.00 C ATOM 227 CD ARG A 17 4.669 -22.644 3.489 1.00 0.00 C ATOM 228 NE ARG A 17 5.384 -23.586 2.633 1.00 0.00 N ATOM 229 CZ ARG A 17 6.323 -24.416 3.076 1.00 0.00 C ATOM 230 NH1 ARG A 17 6.657 -24.418 4.359 1.00 0.00 N ATOM 231 NH2 ARG A 17 6.928 -25.245 2.236 1.00 0.00 N ATOM 0 H ARG A 17 2.676 -20.196 1.002 1.00 0.00 H new ATOM 0 HA ARG A 17 3.509 -18.877 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.294 -20.596 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.528 -20.290 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.027 -21.283 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.538 -22.063 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.379 -22.139 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.976 -23.190 4.130 1.00 0.00 H new ATOM 0 HE ARG A 17 5.150 -23.608 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.193 -23.782 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.378 -25.056 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.673 -25.246 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.648 -25.881 2.578 1.00 0.00 H new ATOM 245 N GLU A 18 5.216 -17.802 0.583 1.00 0.00 N ATOM 246 CA GLU A 18 6.109 -16.747 0.119 1.00 0.00 C ATOM 247 C GLU A 18 5.328 -15.644 -0.588 1.00 0.00 C ATOM 248 O GLU A 18 4.963 -15.780 -1.756 1.00 0.00 O ATOM 249 CB GLU A 18 7.168 -17.323 -0.824 1.00 0.00 C ATOM 250 CG GLU A 18 6.584 -18.108 -1.988 1.00 0.00 C ATOM 251 CD GLU A 18 7.636 -18.887 -2.752 1.00 0.00 C ATOM 252 OE1 GLU A 18 8.723 -18.325 -3.005 1.00 0.00 O ATOM 253 OE2 GLU A 18 7.374 -20.057 -3.098 1.00 0.00 O ATOM 0 H GLU A 18 4.841 -18.394 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 18 6.604 -16.316 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.776 -16.507 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.834 -17.973 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.828 -18.797 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.080 -17.421 -2.668 1.00 0.00 H new ATOM 260 N GLU A 19 5.075 -14.554 0.127 1.00 0.00 N ATOM 261 CA GLU A 19 4.335 -13.428 -0.432 1.00 0.00 C ATOM 262 C GLU A 19 4.886 -12.103 0.088 1.00 0.00 C ATOM 263 O GLU A 19 4.786 -11.801 1.277 1.00 0.00 O ATOM 264 CB GLU A 19 2.849 -13.544 -0.087 1.00 0.00 C ATOM 265 CG GLU A 19 2.056 -14.371 -1.087 1.00 0.00 C ATOM 266 CD GLU A 19 0.608 -13.933 -1.187 1.00 0.00 C ATOM 267 OE1 GLU A 19 0.107 -13.312 -0.226 1.00 0.00 O ATOM 268 OE2 GLU A 19 -0.025 -14.210 -2.228 1.00 0.00 O ATOM 0 H GLU A 19 5.371 -14.426 1.095 1.00 0.00 H new ATOM 0 HA GLU A 19 4.453 -13.451 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.748 -13.990 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.418 -12.544 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.524 -14.294 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.095 -15.421 -0.797 1.00 0.00 H new ATOM 275 N SER A 20 5.469 -11.318 -0.813 1.00 0.00 N ATOM 276 CA SER A 20 6.041 -10.027 -0.445 1.00 0.00 C ATOM 277 C SER A 20 5.450 -8.909 -1.299 1.00 0.00 C ATOM 278 O SER A 20 5.269 -9.065 -2.506 1.00 0.00 O ATOM 279 CB SER A 20 7.563 -10.056 -0.603 1.00 0.00 C ATOM 280 OG SER A 20 8.128 -11.147 0.102 1.00 0.00 O ATOM 0 H SER A 20 5.558 -11.553 -1.802 1.00 0.00 H new ATOM 0 HA SER A 20 5.796 -9.832 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.821 -10.129 -1.660 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.988 -9.122 -0.235 1.00 0.00 H new ATOM 0 HG SER A 20 9.101 -11.144 -0.016 1.00 0.00 H new ATOM 286 N SER A 21 5.153 -7.781 -0.662 1.00 0.00 N ATOM 287 CA SER A 21 4.579 -6.637 -1.361 1.00 0.00 C ATOM 288 C SER A 21 4.877 -5.340 -0.616 1.00 0.00 C ATOM 289 O SER A 21 5.123 -5.346 0.590 1.00 0.00 O ATOM 290 CB SER A 21 3.068 -6.814 -1.517 1.00 0.00 C ATOM 291 OG SER A 21 2.765 -7.946 -2.314 1.00 0.00 O ATOM 0 H SER A 21 5.300 -7.635 0.337 1.00 0.00 H new ATOM 0 HA SER A 21 5.035 -6.580 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.609 -6.924 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.639 -5.921 -1.971 1.00 0.00 H new ATOM 0 HG SER A 21 3.597 -8.380 -2.595 1.00 0.00 H new ATOM 297 N ALA A 22 4.853 -4.228 -1.344 1.00 0.00 N ATOM 298 CA ALA A 22 5.119 -2.922 -0.752 1.00 0.00 C ATOM 299 C ALA A 22 3.952 -1.968 -0.982 1.00 0.00 C ATOM 300 O ALA A 22 3.727 -1.504 -2.101 1.00 0.00 O ATOM 301 CB ALA A 22 6.402 -2.336 -1.321 1.00 0.00 C ATOM 0 H ALA A 22 4.652 -4.205 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 22 5.239 -3.055 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.588 -1.361 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.236 -3.003 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.303 -2.223 -2.401 1.00 0.00 H new ATOM 307 N THR A 23 3.211 -1.679 0.083 1.00 0.00 N ATOM 308 CA THR A 23 2.065 -0.782 -0.004 1.00 0.00 C ATOM 309 C THR A 23 2.447 0.638 0.402 1.00 0.00 C ATOM 310 O THR A 23 3.331 0.838 1.236 1.00 0.00 O ATOM 311 CB THR A 23 0.905 -1.264 0.889 1.00 0.00 C ATOM 312 OG1 THR A 23 -0.273 -0.497 0.617 1.00 0.00 O ATOM 313 CG2 THR A 23 1.268 -1.141 2.361 1.00 0.00 C ATOM 0 H THR A 23 3.384 -2.053 1.016 1.00 0.00 H new ATOM 0 HA THR A 23 1.739 -0.785 -1.044 1.00 0.00 H new ATOM 0 HB THR A 23 0.715 -2.314 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.283 -0.237 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.434 -1.487 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.148 -1.749 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.482 -0.099 2.597 1.00 0.00 H new ATOM 321 N CYS A 24 1.776 1.618 -0.192 1.00 0.00 N ATOM 322 CA CYS A 24 2.045 3.020 0.107 1.00 0.00 C ATOM 323 C CYS A 24 0.772 3.737 0.543 1.00 0.00 C ATOM 324 O CYS A 24 -0.331 3.369 0.137 1.00 0.00 O ATOM 325 CB CYS A 24 2.646 3.717 -1.113 1.00 0.00 C ATOM 326 SG CYS A 24 2.586 5.522 -1.036 1.00 0.00 S ATOM 0 H CYS A 24 1.042 1.468 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 24 2.761 3.060 0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.684 3.403 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.116 3.384 -2.006 1.00 0.00 H new ATOM 0 HG CYS A 24 3.029 5.922 0.119 1.00 0.00 H new ATOM 332 N VAL A 25 0.931 4.763 1.373 1.00 0.00 N ATOM 333 CA VAL A 25 -0.206 5.531 1.865 1.00 0.00 C ATOM 334 C VAL A 25 -0.343 6.851 1.114 1.00 0.00 C ATOM 335 O VAL A 25 0.511 7.732 1.224 1.00 0.00 O ATOM 336 CB VAL A 25 -0.077 5.823 3.372 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.233 6.689 3.849 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.012 4.524 4.162 1.00 0.00 C ATOM 0 H VAL A 25 1.836 5.081 1.719 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.095 4.924 1.695 1.00 0.00 H new ATOM 0 HB VAL A 25 0.850 6.371 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.125 6.885 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.229 7.633 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.175 6.170 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.079 4.749 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.921 3.947 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.852 3.944 3.838 1.00 0.00 H new ATOM 348 N LEU A 26 -1.422 6.981 0.351 1.00 0.00 N ATOM 349 CA LEU A 26 -1.672 8.194 -0.420 1.00 0.00 C ATOM 350 C LEU A 26 -2.648 9.112 0.310 1.00 0.00 C ATOM 351 O LEU A 26 -3.852 8.861 0.332 1.00 0.00 O ATOM 352 CB LEU A 26 -2.226 7.839 -1.801 1.00 0.00 C ATOM 353 CG LEU A 26 -2.650 9.019 -2.678 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.451 9.892 -3.013 1.00 0.00 C ATOM 355 CD2 LEU A 26 -3.322 8.523 -3.950 1.00 0.00 C ATOM 0 H LEU A 26 -2.138 6.262 0.249 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.725 8.721 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.469 7.267 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.087 7.184 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.368 9.621 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.771 10.726 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.012 10.276 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.709 9.301 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.617 9.375 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.626 7.898 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.205 7.939 -3.691 1.00 0.00 H new ATOM 367 N GLU A 27 -2.118 10.176 0.905 1.00 0.00 N ATOM 368 CA GLU A 27 -2.943 11.132 1.635 1.00 0.00 C ATOM 369 C GLU A 27 -2.889 12.509 0.980 1.00 0.00 C ATOM 370 O GLU A 27 -1.843 12.935 0.492 1.00 0.00 O ATOM 371 CB GLU A 27 -2.482 11.230 3.090 1.00 0.00 C ATOM 372 CG GLU A 27 -3.265 12.241 3.911 1.00 0.00 C ATOM 373 CD GLU A 27 -2.850 12.256 5.369 1.00 0.00 C ATOM 374 OE1 GLU A 27 -3.000 11.214 6.040 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.375 13.312 5.838 1.00 0.00 O ATOM 0 H GLU A 27 -1.122 10.398 0.896 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.973 10.777 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.571 10.249 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.426 11.498 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.124 13.235 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.329 12.013 3.842 1.00 0.00 H new ATOM 382 N GLN A 28 -4.025 13.199 0.971 1.00 0.00 N ATOM 383 CA GLN A 28 -4.109 14.527 0.375 1.00 0.00 C ATOM 384 C GLN A 28 -4.767 15.514 1.333 1.00 0.00 C ATOM 385 O GLN A 28 -5.637 15.159 2.128 1.00 0.00 O ATOM 386 CB GLN A 28 -4.893 14.472 -0.937 1.00 0.00 C ATOM 387 CG GLN A 28 -4.140 13.792 -2.069 1.00 0.00 C ATOM 388 CD GLN A 28 -4.909 13.807 -3.374 1.00 0.00 C ATOM 389 OE1 GLN A 28 -5.915 14.504 -3.507 1.00 0.00 O ATOM 390 NE2 GLN A 28 -4.441 13.033 -4.347 1.00 0.00 N ATOM 0 H GLN A 28 -4.900 12.860 1.370 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.095 14.870 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.831 13.944 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.149 15.487 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.180 14.289 -2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.926 12.760 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.604 12.471 -4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.919 13.000 -5.247 1.00 0.00 H new ATOM 399 N PRO A 29 -4.342 16.784 1.259 1.00 0.00 N ATOM 400 CA PRO A 29 -4.877 17.849 2.113 1.00 0.00 C ATOM 401 C PRO A 29 -6.316 18.206 1.760 1.00 0.00 C ATOM 402 O PRO A 29 -6.611 18.597 0.631 1.00 0.00 O ATOM 403 CB PRO A 29 -3.946 19.031 1.830 1.00 0.00 C ATOM 404 CG PRO A 29 -3.410 18.772 0.464 1.00 0.00 C ATOM 405 CD PRO A 29 -3.306 17.278 0.336 1.00 0.00 C ATOM 0 HA PRO A 29 -4.907 17.555 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.484 19.978 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.144 19.088 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.071 19.184 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.436 19.244 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.489 16.949 -0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.315 16.919 0.614 1.00 0.00 H new ATOM 413 N GLY A 30 -7.211 18.073 2.735 1.00 0.00 N ATOM 414 CA GLY A 30 -8.609 18.386 2.506 1.00 0.00 C ATOM 415 C GLY A 30 -9.080 19.569 3.329 1.00 0.00 C ATOM 416 O GLY A 30 -8.365 20.042 4.212 1.00 0.00 O ATOM 0 H GLY A 30 -6.992 17.754 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.762 18.599 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.218 17.514 2.747 1.00 0.00 H new ATOM 420 N ALA A 31 -10.284 20.049 3.038 1.00 0.00 N ATOM 421 CA ALA A 31 -10.849 21.183 3.758 1.00 0.00 C ATOM 422 C ALA A 31 -10.999 20.872 5.243 1.00 0.00 C ATOM 423 O ALA A 31 -10.538 21.631 6.097 1.00 0.00 O ATOM 424 CB ALA A 31 -12.193 21.571 3.159 1.00 0.00 C ATOM 0 H ALA A 31 -10.887 19.670 2.308 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.162 22.024 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.604 22.419 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.060 21.845 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.880 20.727 3.229 1.00 0.00 H new ATOM 430 N LEU A 32 -11.647 19.752 5.545 1.00 0.00 N ATOM 431 CA LEU A 32 -11.859 19.341 6.929 1.00 0.00 C ATOM 432 C LEU A 32 -10.542 18.935 7.583 1.00 0.00 C ATOM 433 O LEU A 32 -10.273 19.292 8.730 1.00 0.00 O ATOM 434 CB LEU A 32 -12.852 18.179 6.989 1.00 0.00 C ATOM 435 CG LEU A 32 -14.249 18.458 6.434 1.00 0.00 C ATOM 436 CD1 LEU A 32 -15.073 17.181 6.395 1.00 0.00 C ATOM 437 CD2 LEU A 32 -14.949 19.523 7.267 1.00 0.00 C ATOM 0 H LEU A 32 -12.034 19.113 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.269 20.189 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.428 17.337 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.952 17.867 8.028 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.148 18.830 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.064 17.399 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.579 16.449 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.168 16.778 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.942 19.710 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.039 19.178 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.367 20.445 7.243 1.00 0.00 H new ATOM 449 N GLY A 33 -9.725 18.191 6.846 1.00 0.00 N ATOM 450 CA GLY A 33 -8.446 17.751 7.371 1.00 0.00 C ATOM 451 C GLY A 33 -7.616 17.016 6.336 1.00 0.00 C ATOM 452 O GLY A 33 -6.893 17.636 5.556 1.00 0.00 O ATOM 0 H GLY A 33 -9.926 17.885 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.888 18.615 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.614 17.099 8.228 1.00 0.00 H new ATOM 456 N ALA A 34 -7.718 15.691 6.330 1.00 0.00 N ATOM 457 CA ALA A 34 -6.972 14.872 5.384 1.00 0.00 C ATOM 458 C ALA A 34 -7.749 13.613 5.014 1.00 0.00 C ATOM 459 O ALA A 34 -8.697 13.234 5.703 1.00 0.00 O ATOM 460 CB ALA A 34 -5.613 14.505 5.961 1.00 0.00 C ATOM 0 H ALA A 34 -8.310 15.162 6.970 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.824 15.455 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.066 13.893 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.048 15.414 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.750 13.945 6.886 1.00 0.00 H new ATOM 466 N GLN A 35 -7.343 12.972 3.923 1.00 0.00 N ATOM 467 CA GLN A 35 -8.005 11.756 3.463 1.00 0.00 C ATOM 468 C GLN A 35 -7.030 10.860 2.705 1.00 0.00 C ATOM 469 O GLN A 35 -6.222 11.339 1.909 1.00 0.00 O ATOM 470 CB GLN A 35 -9.194 12.106 2.567 1.00 0.00 C ATOM 471 CG GLN A 35 -10.476 12.378 3.338 1.00 0.00 C ATOM 472 CD GLN A 35 -10.654 13.844 3.678 1.00 0.00 C ATOM 473 OE1 GLN A 35 -10.945 14.198 4.821 1.00 0.00 O ATOM 474 NE2 GLN A 35 -10.480 14.707 2.684 1.00 0.00 N ATOM 0 H GLN A 35 -6.561 13.273 3.342 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.365 11.214 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.944 12.984 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.366 11.287 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.328 12.040 2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.473 11.794 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.239 14.370 1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.587 15.707 2.852 1.00 0.00 H new ATOM 483 N ILE A 36 -7.112 9.559 2.960 1.00 0.00 N ATOM 484 CA ILE A 36 -6.237 8.596 2.302 1.00 0.00 C ATOM 485 C ILE A 36 -6.957 7.893 1.155 1.00 0.00 C ATOM 486 O ILE A 36 -8.150 8.104 0.935 1.00 0.00 O ATOM 487 CB ILE A 36 -5.718 7.538 3.292 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.776 7.243 4.358 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.423 8.006 3.938 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.384 6.133 5.308 1.00 0.00 C ATOM 0 H ILE A 36 -7.775 9.147 3.617 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.391 9.158 1.907 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.515 6.618 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.965 8.151 4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.711 6.976 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.069 7.247 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.670 8.170 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.600 8.938 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.181 5.979 6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.223 5.213 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.466 6.406 5.828 1.00 0.00 H new ATOM 502 N LEU A 37 -6.224 7.057 0.428 1.00 0.00 N ATOM 503 CA LEU A 37 -6.793 6.320 -0.696 1.00 0.00 C ATOM 504 C LEU A 37 -6.929 4.838 -0.363 1.00 0.00 C ATOM 505 O LEU A 37 -6.073 4.262 0.310 1.00 0.00 O ATOM 506 CB LEU A 37 -5.921 6.497 -1.939 1.00 0.00 C ATOM 507 CG LEU A 37 -6.240 5.579 -3.120 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.572 5.959 -3.747 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.127 5.632 -4.154 1.00 0.00 C ATOM 0 H LEU A 37 -5.235 6.872 0.596 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.787 6.721 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.007 7.530 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.881 6.340 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.315 4.557 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.782 5.295 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.364 5.866 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.526 6.989 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.372 4.972 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.018 6.653 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.191 5.309 -3.698 1.00 0.00 H new ATOM 521 N LEU A 38 -8.008 4.227 -0.838 1.00 0.00 N ATOM 522 CA LEU A 38 -8.255 2.810 -0.593 1.00 0.00 C ATOM 523 C LEU A 38 -8.728 2.113 -1.864 1.00 0.00 C ATOM 524 O LEU A 38 -9.548 2.647 -2.611 1.00 0.00 O ATOM 525 CB LEU A 38 -9.297 2.638 0.514 1.00 0.00 C ATOM 526 CG LEU A 38 -9.130 1.409 1.407 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.712 1.333 1.952 1.00 0.00 C ATOM 528 CD2 LEU A 38 -10.139 1.435 2.545 1.00 0.00 C ATOM 0 H LEU A 38 -8.726 4.690 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.318 2.352 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.277 3.526 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.284 2.596 0.053 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.314 0.519 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.612 0.452 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.007 1.266 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.499 2.227 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.005 0.552 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.987 2.332 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.149 1.440 2.136 1.00 0.00 H new ATOM 540 N VAL A 39 -8.206 0.913 -2.104 1.00 0.00 N ATOM 541 CA VAL A 39 -8.577 0.139 -3.283 1.00 0.00 C ATOM 542 C VAL A 39 -8.937 -1.294 -2.909 1.00 0.00 C ATOM 543 O VAL A 39 -8.284 -1.908 -2.066 1.00 0.00 O ATOM 544 CB VAL A 39 -7.439 0.117 -4.320 1.00 0.00 C ATOM 545 CG1 VAL A 39 -7.174 1.517 -4.854 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.176 -0.478 -3.714 1.00 0.00 C ATOM 0 H VAL A 39 -7.525 0.456 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.448 0.627 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.746 -0.513 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.367 1.481 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.076 1.902 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.889 2.172 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.383 -0.485 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.864 0.123 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.375 -1.498 -3.386 1.00 0.00 H new ATOM 556 N GLN A 40 -9.980 -1.821 -3.543 1.00 0.00 N ATOM 557 CA GLN A 40 -10.427 -3.182 -3.275 1.00 0.00 C ATOM 558 C GLN A 40 -9.428 -4.199 -3.818 1.00 0.00 C ATOM 559 O GLN A 40 -8.663 -3.904 -4.736 1.00 0.00 O ATOM 560 CB GLN A 40 -11.805 -3.421 -3.897 1.00 0.00 C ATOM 561 CG GLN A 40 -12.627 -4.473 -3.171 1.00 0.00 C ATOM 562 CD GLN A 40 -14.119 -4.262 -3.333 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.676 -4.486 -4.408 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.775 -3.829 -2.263 1.00 0.00 N ATOM 0 H GLN A 40 -10.530 -1.326 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.497 -3.309 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.358 -2.482 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.677 -3.725 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.361 -5.460 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.375 -4.458 -2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.273 -3.656 -1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.781 -3.669 -2.312 1.00 0.00 H new ATOM 573 N ARG A 41 -9.441 -5.398 -3.243 1.00 0.00 N ATOM 574 CA ARG A 41 -8.534 -6.458 -3.668 1.00 0.00 C ATOM 575 C ARG A 41 -9.208 -7.373 -4.686 1.00 0.00 C ATOM 576 O ARG A 41 -10.431 -7.512 -4.720 1.00 0.00 O ATOM 577 CB ARG A 41 -8.069 -7.274 -2.461 1.00 0.00 C ATOM 578 CG ARG A 41 -7.188 -6.494 -1.500 1.00 0.00 C ATOM 579 CD ARG A 41 -5.715 -6.635 -1.855 1.00 0.00 C ATOM 580 NE ARG A 41 -5.275 -5.598 -2.785 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.002 -5.381 -3.094 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.048 -6.125 -2.551 1.00 0.00 N ATOM 583 NH2 ARG A 41 -3.680 -4.419 -3.949 1.00 0.00 N ATOM 0 H ARG A 41 -10.069 -5.659 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.668 -5.994 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.943 -7.641 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.522 -8.148 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.469 -5.441 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.354 -6.849 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.116 -6.584 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.541 -7.616 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.984 -5.009 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.291 -6.866 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.071 -5.956 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.411 -3.845 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.702 -4.253 -4.186 1.00 0.00 H new ATOM 698 N LEU A 50 -11.949 -6.677 -0.322 1.00 0.00 N ATOM 699 CA LEU A 50 -11.883 -5.754 0.806 1.00 0.00 C ATOM 700 C LEU A 50 -11.113 -4.492 0.432 1.00 0.00 C ATOM 701 O LEU A 50 -10.207 -4.530 -0.401 1.00 0.00 O ATOM 702 CB LEU A 50 -11.222 -6.431 2.008 1.00 0.00 C ATOM 703 CG LEU A 50 -12.053 -7.501 2.717 1.00 0.00 C ATOM 704 CD1 LEU A 50 -13.224 -6.867 3.452 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.547 -8.540 1.720 1.00 0.00 C ATOM 0 HA LEU A 50 -12.902 -5.471 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.289 -6.885 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.961 -5.662 2.735 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.418 -8.001 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.804 -7.644 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.849 -6.162 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.859 -6.341 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.137 -9.294 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.165 -8.055 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.693 -9.017 1.238 1.00 0.00 H new ATOM 717 N TRP A 51 -11.477 -3.376 1.055 1.00 0.00 N ATOM 718 CA TRP A 51 -10.817 -2.103 0.788 1.00 0.00 C ATOM 719 C TRP A 51 -9.450 -2.047 1.459 1.00 0.00 C ATOM 720 O TRP A 51 -9.353 -1.945 2.682 1.00 0.00 O ATOM 721 CB TRP A 51 -11.687 -0.943 1.277 1.00 0.00 C ATOM 722 CG TRP A 51 -13.088 -0.986 0.746 1.00 0.00 C ATOM 723 CD1 TRP A 51 -14.159 -1.619 1.310 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.568 -0.374 -0.456 1.00 0.00 C ATOM 725 NE1 TRP A 51 -15.276 -1.435 0.531 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.940 -0.675 -0.557 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.973 0.402 -1.454 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.724 -0.228 -1.618 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.751 0.844 -2.507 1.00 0.00 C ATOM 730 CH2 TRP A 51 -15.116 0.529 -2.581 1.00 0.00 C ATOM 0 H TRP A 51 -12.224 -3.327 1.747 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.675 -2.014 -0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.719 -0.956 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -11.223 -0.001 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.132 -2.181 2.232 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -16.205 -1.805 0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.924 0.652 -1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.775 -0.471 -1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -13.301 1.442 -3.286 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -15.698 0.892 -3.415 1.00 0.00 H new ATOM 741 N GLU A 52 -8.396 -2.114 0.652 1.00 0.00 N ATOM 742 CA GLU A 52 -7.033 -2.072 1.170 1.00 0.00 C ATOM 743 C GLU A 52 -6.179 -1.088 0.374 1.00 0.00 C ATOM 744 O GLU A 52 -6.516 -0.728 -0.754 1.00 0.00 O ATOM 745 CB GLU A 52 -6.403 -3.465 1.125 1.00 0.00 C ATOM 746 CG GLU A 52 -7.415 -4.594 1.224 1.00 0.00 C ATOM 747 CD GLU A 52 -7.971 -4.758 2.625 1.00 0.00 C ATOM 748 OE1 GLU A 52 -7.257 -5.316 3.485 1.00 0.00 O ATOM 749 OE2 GLU A 52 -9.119 -4.329 2.863 1.00 0.00 O ATOM 0 H GLU A 52 -8.459 -2.198 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.075 -1.735 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.842 -3.571 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.687 -3.557 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.235 -4.403 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.945 -5.527 0.912 1.00 0.00 H new ATOM 756 N PHE A 53 -5.072 -0.659 0.971 1.00 0.00 N ATOM 757 CA PHE A 53 -4.169 0.282 0.319 1.00 0.00 C ATOM 758 C PHE A 53 -3.494 -0.358 -0.891 1.00 0.00 C ATOM 759 O PHE A 53 -3.191 -1.552 -0.904 1.00 0.00 O ATOM 760 CB PHE A 53 -3.110 0.773 1.308 1.00 0.00 C ATOM 761 CG PHE A 53 -3.687 1.426 2.531 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.676 2.389 2.416 1.00 0.00 C ATOM 763 CD2 PHE A 53 -3.241 1.075 3.795 1.00 0.00 C ATOM 764 CE1 PHE A 53 -5.210 2.991 3.541 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.772 1.673 4.922 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.757 2.634 4.794 1.00 0.00 C ATOM 0 H PHE A 53 -4.779 -0.948 1.904 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.758 1.132 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.492 -0.071 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.454 1.482 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.034 2.673 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.470 0.326 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.981 3.740 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.418 1.390 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.171 3.105 5.673 1.00 0.00 H new ATOM 776 N PRO A 54 -3.253 0.453 -1.932 1.00 0.00 N ATOM 777 CA PRO A 54 -2.611 -0.013 -3.165 1.00 0.00 C ATOM 778 C PRO A 54 -1.139 -0.350 -2.961 1.00 0.00 C ATOM 779 O PRO A 54 -0.422 0.358 -2.255 1.00 0.00 O ATOM 780 CB PRO A 54 -2.761 1.181 -4.113 1.00 0.00 C ATOM 781 CG PRO A 54 -2.872 2.365 -3.217 1.00 0.00 C ATOM 782 CD PRO A 54 -3.586 1.886 -1.984 1.00 0.00 C ATOM 0 HA PRO A 54 -3.062 -0.932 -3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.903 1.268 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.644 1.077 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.887 2.760 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.426 3.170 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.244 2.411 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.662 2.046 -2.055 1.00 0.00 H new ATOM 790 N SER A 55 -0.694 -1.437 -3.584 1.00 0.00 N ATOM 791 CA SER A 55 0.693 -1.871 -3.467 1.00 0.00 C ATOM 792 C SER A 55 1.169 -2.524 -4.762 1.00 0.00 C ATOM 793 O SER A 55 0.380 -2.762 -5.677 1.00 0.00 O ATOM 794 CB SER A 55 0.848 -2.850 -2.303 1.00 0.00 C ATOM 795 OG SER A 55 0.249 -4.098 -2.603 1.00 0.00 O ATOM 0 H SER A 55 -1.274 -2.033 -4.175 1.00 0.00 H new ATOM 0 HA SER A 55 1.307 -0.991 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.906 -2.994 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.391 -2.430 -1.407 1.00 0.00 H new ATOM 0 HG SER A 55 0.363 -4.707 -1.844 1.00 0.00 H new ATOM 801 N VAL A 56 2.464 -2.811 -4.831 1.00 0.00 N ATOM 802 CA VAL A 56 3.046 -3.438 -6.012 1.00 0.00 C ATOM 803 C VAL A 56 3.879 -4.658 -5.633 1.00 0.00 C ATOM 804 O VAL A 56 4.018 -4.987 -4.455 1.00 0.00 O ATOM 805 CB VAL A 56 3.931 -2.449 -6.794 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.174 -1.159 -7.071 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.218 -2.168 -6.032 1.00 0.00 C ATOM 0 H VAL A 56 3.131 -2.620 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 56 2.216 -3.751 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 56 4.193 -2.901 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.815 -0.473 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.284 -1.379 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.880 -0.700 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.831 -1.467 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.979 -1.736 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.767 -3.099 -5.890 1.00 0.00 H new ATOM 817 N THR A 57 4.435 -5.324 -6.640 1.00 0.00 N ATOM 818 CA THR A 57 5.255 -6.508 -6.414 1.00 0.00 C ATOM 819 C THR A 57 6.527 -6.158 -5.651 1.00 0.00 C ATOM 820 O THR A 57 7.091 -5.077 -5.828 1.00 0.00 O ATOM 821 CB THR A 57 5.636 -7.190 -7.742 1.00 0.00 C ATOM 822 OG1 THR A 57 6.536 -8.275 -7.494 1.00 0.00 O ATOM 823 CG2 THR A 57 6.281 -6.196 -8.695 1.00 0.00 C ATOM 0 H THR A 57 4.332 -5.063 -7.621 1.00 0.00 H new ATOM 0 HA THR A 57 4.657 -7.198 -5.819 1.00 0.00 H new ATOM 0 HB THR A 57 4.726 -7.572 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.772 -8.705 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.541 -6.700 -9.626 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.582 -5.386 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.183 -5.788 -8.239 1.00 0.00 H new ATOM 831 N TRP A 58 6.976 -7.077 -4.805 1.00 0.00 N ATOM 832 CA TRP A 58 8.184 -6.865 -4.017 1.00 0.00 C ATOM 833 C TRP A 58 9.375 -6.552 -4.917 1.00 0.00 C ATOM 834 O TRP A 58 9.404 -6.951 -6.082 1.00 0.00 O ATOM 835 CB TRP A 58 8.485 -8.098 -3.164 1.00 0.00 C ATOM 836 CG TRP A 58 9.692 -7.937 -2.290 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.766 -7.245 -1.115 1.00 0.00 C ATOM 838 CD2 TRP A 58 10.998 -8.477 -2.524 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.040 -7.323 -0.604 1.00 0.00 N ATOM 840 CE2 TRP A 58 11.813 -8.072 -1.448 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.556 -9.263 -3.534 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.156 -8.429 -1.359 1.00 0.00 C ATOM 843 CZ3 TRP A 58 12.889 -9.615 -3.444 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.678 -9.200 -2.363 1.00 0.00 C ATOM 0 H TRP A 58 6.522 -7.976 -4.647 1.00 0.00 H new ATOM 0 HA TRP A 58 8.013 -6.011 -3.362 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.620 -8.318 -2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.632 -8.957 -3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.945 -6.715 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.357 -6.892 0.264 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.956 -9.590 -4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.765 -8.109 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.331 -10.221 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.717 -9.494 -2.321 1.00 0.00 H new ATOM 855 N GLU A 59 10.353 -5.837 -4.371 1.00 0.00 N ATOM 856 CA GLU A 59 11.545 -5.472 -5.128 1.00 0.00 C ATOM 857 C GLU A 59 12.801 -5.628 -4.274 1.00 0.00 C ATOM 858 O GLU A 59 12.875 -5.150 -3.141 1.00 0.00 O ATOM 859 CB GLU A 59 11.434 -4.031 -5.632 1.00 0.00 C ATOM 860 CG GLU A 59 10.424 -3.855 -6.754 1.00 0.00 C ATOM 861 CD GLU A 59 10.819 -4.598 -8.016 1.00 0.00 C ATOM 862 OE1 GLU A 59 10.801 -5.847 -8.000 1.00 0.00 O ATOM 863 OE2 GLU A 59 11.144 -3.929 -9.019 1.00 0.00 O ATOM 0 H GLU A 59 10.344 -5.499 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 59 11.622 -6.144 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.156 -3.384 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.413 -3.700 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.449 -4.208 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.318 -2.794 -6.980 1.00 0.00 H new ATOM 870 N PRO A 60 13.811 -6.313 -4.830 1.00 0.00 N ATOM 871 CA PRO A 60 15.082 -6.548 -4.137 1.00 0.00 C ATOM 872 C PRO A 60 15.902 -5.273 -3.982 1.00 0.00 C ATOM 873 O PRO A 60 16.695 -5.143 -3.050 1.00 0.00 O ATOM 874 CB PRO A 60 15.805 -7.541 -5.051 1.00 0.00 C ATOM 875 CG PRO A 60 15.224 -7.303 -6.403 1.00 0.00 C ATOM 876 CD PRO A 60 13.792 -6.910 -6.175 1.00 0.00 C ATOM 0 HA PRO A 60 14.931 -6.914 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.882 -7.371 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.643 -8.569 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.766 -6.516 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.289 -8.200 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.446 -6.199 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.127 -7.772 -6.222 1.00 0.00 H new ATOM 884 N SER A 61 15.706 -4.333 -4.901 1.00 0.00 N ATOM 885 CA SER A 61 16.431 -3.068 -4.867 1.00 0.00 C ATOM 886 C SER A 61 15.624 -1.998 -4.137 1.00 0.00 C ATOM 887 O SER A 61 14.394 -2.022 -4.144 1.00 0.00 O ATOM 888 CB SER A 61 16.750 -2.600 -6.289 1.00 0.00 C ATOM 889 OG SER A 61 18.012 -3.085 -6.714 1.00 0.00 O ATOM 0 H SER A 61 15.051 -4.423 -5.678 1.00 0.00 H new ATOM 0 HA SER A 61 17.364 -3.227 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.975 -2.947 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.744 -1.511 -6.327 1.00 0.00 H new ATOM 0 HG SER A 61 18.192 -2.774 -7.626 1.00 0.00 H new ATOM 895 N GLU A 62 16.327 -1.061 -3.509 1.00 0.00 N ATOM 896 CA GLU A 62 15.677 0.017 -2.773 1.00 0.00 C ATOM 897 C GLU A 62 14.964 0.973 -3.726 1.00 0.00 C ATOM 898 O GLU A 62 13.904 1.509 -3.406 1.00 0.00 O ATOM 899 CB GLU A 62 16.701 0.783 -1.935 1.00 0.00 C ATOM 900 CG GLU A 62 16.126 2.007 -1.240 1.00 0.00 C ATOM 901 CD GLU A 62 17.197 2.876 -0.610 1.00 0.00 C ATOM 902 OE1 GLU A 62 18.019 2.341 0.162 1.00 0.00 O ATOM 903 OE2 GLU A 62 17.213 4.094 -0.892 1.00 0.00 O ATOM 0 H GLU A 62 17.346 -1.027 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 62 14.935 -0.427 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.119 0.112 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.524 1.094 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.561 2.598 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.424 1.687 -0.470 1.00 0.00 H new ATOM 910 N GLN A 63 15.558 1.183 -4.897 1.00 0.00 N ATOM 911 CA GLN A 63 14.981 2.075 -5.896 1.00 0.00 C ATOM 912 C GLN A 63 13.834 1.396 -6.636 1.00 0.00 C ATOM 913 O GLN A 63 12.707 1.894 -6.647 1.00 0.00 O ATOM 914 CB GLN A 63 16.053 2.520 -6.892 1.00 0.00 C ATOM 915 CG GLN A 63 15.524 3.429 -7.989 1.00 0.00 C ATOM 916 CD GLN A 63 15.279 4.845 -7.506 1.00 0.00 C ATOM 917 OE1 GLN A 63 14.979 5.070 -6.334 1.00 0.00 O ATOM 918 NE2 GLN A 63 15.407 5.810 -8.411 1.00 0.00 N ATOM 0 H GLN A 63 16.437 0.748 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 63 14.588 2.951 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.845 3.039 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.502 1.638 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.236 3.449 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.594 3.017 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.657 5.578 -9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.255 6.783 -8.144 1.00 0.00 H new ATOM 927 N LEU A 64 14.126 0.257 -7.254 1.00 0.00 N ATOM 928 CA LEU A 64 13.119 -0.492 -7.997 1.00 0.00 C ATOM 929 C LEU A 64 11.789 -0.507 -7.250 1.00 0.00 C ATOM 930 O LEU A 64 10.728 -0.339 -7.849 1.00 0.00 O ATOM 931 CB LEU A 64 13.596 -1.925 -8.240 1.00 0.00 C ATOM 932 CG LEU A 64 14.458 -2.142 -9.484 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.696 -1.260 -9.436 1.00 0.00 C ATOM 934 CD2 LEU A 64 14.850 -3.607 -9.612 1.00 0.00 C ATOM 0 H LEU A 64 15.053 -0.168 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 64 12.970 0.003 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.163 -2.251 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.721 -2.571 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 64 13.873 -1.865 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.297 -1.428 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.395 -0.213 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.284 -1.506 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.463 -3.743 -10.503 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.417 -3.910 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.951 -4.218 -9.693 1.00 0.00 H new ATOM 946 N GLN A 65 11.858 -0.707 -5.937 1.00 0.00 N ATOM 947 CA GLN A 65 10.659 -0.742 -5.107 1.00 0.00 C ATOM 948 C GLN A 65 9.859 0.549 -5.252 1.00 0.00 C ATOM 949 O GLN A 65 8.667 0.519 -5.558 1.00 0.00 O ATOM 950 CB GLN A 65 11.034 -0.962 -3.640 1.00 0.00 C ATOM 951 CG GLN A 65 9.961 -1.678 -2.838 1.00 0.00 C ATOM 952 CD GLN A 65 8.562 -1.386 -3.343 1.00 0.00 C ATOM 953 OE1 GLN A 65 7.874 -0.505 -2.826 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.132 -2.126 -4.359 1.00 0.00 N ATOM 0 H GLN A 65 12.730 -0.847 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 65 10.039 -1.572 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.957 -1.540 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.238 0.004 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.140 -2.752 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.035 -1.380 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.735 -2.845 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.198 -1.975 -4.741 1.00 0.00 H new ATOM 963 N ARG A 66 10.522 1.678 -5.029 1.00 0.00 N ATOM 964 CA ARG A 66 9.872 2.978 -5.134 1.00 0.00 C ATOM 965 C ARG A 66 9.477 3.275 -6.578 1.00 0.00 C ATOM 966 O ARG A 66 8.474 3.942 -6.835 1.00 0.00 O ATOM 967 CB ARG A 66 10.797 4.079 -4.611 1.00 0.00 C ATOM 968 CG ARG A 66 11.208 3.890 -3.160 1.00 0.00 C ATOM 969 CD ARG A 66 12.325 4.845 -2.768 1.00 0.00 C ATOM 970 NE ARG A 66 11.876 6.235 -2.752 1.00 0.00 N ATOM 971 CZ ARG A 66 12.590 7.231 -2.242 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.780 6.994 -1.708 1.00 0.00 N ATOM 973 NH2 ARG A 66 12.113 8.470 -2.264 1.00 0.00 N ATOM 0 H ARG A 66 11.509 1.719 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 66 8.968 2.953 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.692 4.115 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.297 5.042 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.346 4.051 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.535 2.862 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.704 4.575 -1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.154 4.740 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 66 10.964 6.452 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.150 6.044 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.326 7.762 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.197 8.657 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.662 9.235 -1.872 1.00 0.00 H new ATOM 987 N LYS A 67 10.272 2.776 -7.517 1.00 0.00 N ATOM 988 CA LYS A 67 10.007 2.985 -8.936 1.00 0.00 C ATOM 989 C LYS A 67 8.631 2.449 -9.317 1.00 0.00 C ATOM 990 O LYS A 67 7.799 3.177 -9.857 1.00 0.00 O ATOM 991 CB LYS A 67 11.084 2.303 -9.783 1.00 0.00 C ATOM 992 CG LYS A 67 12.289 3.185 -10.061 1.00 0.00 C ATOM 993 CD LYS A 67 13.342 2.451 -10.873 1.00 0.00 C ATOM 994 CE LYS A 67 14.425 3.398 -11.368 1.00 0.00 C ATOM 995 NZ LYS A 67 15.176 2.828 -12.519 1.00 0.00 N ATOM 0 H LYS A 67 11.107 2.223 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 67 10.026 4.058 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.416 1.399 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.646 1.992 -10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.971 4.078 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.722 3.518 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.793 1.668 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.870 1.960 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.972 4.345 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.117 3.615 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.905 3.503 -12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.629 1.937 -12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.520 2.644 -13.305 1.00 0.00 H new ATOM 1009 N ALA A 68 8.397 1.173 -9.030 1.00 0.00 N ATOM 1010 CA ALA A 68 7.120 0.542 -9.340 1.00 0.00 C ATOM 1011 C ALA A 68 6.030 1.006 -8.379 1.00 0.00 C ATOM 1012 O ALA A 68 4.937 1.386 -8.800 1.00 0.00 O ATOM 1013 CB ALA A 68 7.255 -0.974 -9.294 1.00 0.00 C ATOM 0 H ALA A 68 9.075 0.556 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 68 6.831 0.841 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.294 -1.432 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.997 -1.296 -10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.571 -1.281 -8.297 1.00 0.00 H new ATOM 1019 N LEU A 69 6.335 0.973 -7.086 1.00 0.00 N ATOM 1020 CA LEU A 69 5.381 1.391 -6.064 1.00 0.00 C ATOM 1021 C LEU A 69 4.503 2.531 -6.572 1.00 0.00 C ATOM 1022 O LEU A 69 3.316 2.604 -6.254 1.00 0.00 O ATOM 1023 CB LEU A 69 6.119 1.825 -4.796 1.00 0.00 C ATOM 1024 CG LEU A 69 5.248 2.392 -3.675 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.202 1.375 -3.245 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.109 2.807 -2.490 1.00 0.00 C ATOM 0 H LEU A 69 7.235 0.661 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 69 4.740 0.541 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.666 0.967 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.859 2.577 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 69 4.733 3.275 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.592 1.796 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.566 1.126 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.698 0.473 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.473 3.208 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.651 1.940 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.820 3.570 -2.806 1.00 0.00 H new ATOM 1038 N LEU A 70 5.096 3.418 -7.364 1.00 0.00 N ATOM 1039 CA LEU A 70 4.368 4.555 -7.918 1.00 0.00 C ATOM 1040 C LEU A 70 3.655 4.166 -9.210 1.00 0.00 C ATOM 1041 O LEU A 70 2.494 4.515 -9.418 1.00 0.00 O ATOM 1042 CB LEU A 70 5.324 5.719 -8.180 1.00 0.00 C ATOM 1043 CG LEU A 70 6.008 6.315 -6.950 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.056 7.337 -7.364 1.00 0.00 C ATOM 1045 CD2 LEU A 70 4.982 6.948 -6.022 1.00 0.00 C ATOM 0 H LEU A 70 6.078 3.372 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 70 3.619 4.866 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.095 5.381 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.770 6.512 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 70 6.508 5.510 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.532 7.750 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.809 6.854 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.579 8.140 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.488 7.367 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.453 7.741 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.269 6.190 -5.697 1.00 0.00 H new ATOM 1057 N GLN A 71 4.359 3.441 -10.074 1.00 0.00 N ATOM 1058 CA GLN A 71 3.792 3.006 -11.344 1.00 0.00 C ATOM 1059 C GLN A 71 2.347 2.552 -11.168 1.00 0.00 C ATOM 1060 O GLN A 71 1.528 2.691 -12.077 1.00 0.00 O ATOM 1061 CB GLN A 71 4.628 1.869 -11.936 1.00 0.00 C ATOM 1062 CG GLN A 71 4.098 0.485 -11.598 1.00 0.00 C ATOM 1063 CD GLN A 71 4.787 -0.612 -12.385 1.00 0.00 C ATOM 1064 OE1 GLN A 71 6.103 -0.503 -12.525 1.00 0.00 O flip ATOM 1065 NE2 GLN A 71 4.144 -1.548 -12.861 1.00 0.00 N flip ATOM 0 H GLN A 71 5.322 3.143 -9.917 1.00 0.00 H new ATOM 0 HA GLN A 71 3.806 3.854 -12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.663 1.981 -13.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.652 1.955 -11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.230 0.300 -10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.027 0.452 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.134 -1.592 -12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.622 -2.279 -13.387 1.00 0.00 H new ATOM 1074 N GLU A 72 2.041 2.008 -9.994 1.00 0.00 N ATOM 1075 CA GLU A 72 0.693 1.532 -9.702 1.00 0.00 C ATOM 1076 C GLU A 72 -0.186 2.671 -9.192 1.00 0.00 C ATOM 1077 O GLU A 72 -1.261 2.930 -9.733 1.00 0.00 O ATOM 1078 CB GLU A 72 0.740 0.407 -8.667 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.590 -0.302 -8.477 1.00 0.00 C ATOM 1080 CD GLU A 72 -0.427 -1.759 -8.092 1.00 0.00 C ATOM 1081 OE1 GLU A 72 0.556 -2.385 -8.541 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.282 -2.273 -7.341 1.00 0.00 O ATOM 0 H GLU A 72 2.707 1.886 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 72 0.261 1.148 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.491 -0.323 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.063 0.818 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.164 0.211 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.167 -0.237 -9.400 1.00 0.00 H new ATOM 1089 N LEU A 73 0.279 3.347 -8.147 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.464 4.458 -7.562 1.00 0.00 C ATOM 1091 C LEU A 73 -1.050 5.353 -8.648 1.00 0.00 C ATOM 1092 O LEU A 73 -2.248 5.634 -8.655 1.00 0.00 O ATOM 1093 CB LEU A 73 0.443 5.277 -6.644 1.00 0.00 C ATOM 1094 CG LEU A 73 0.495 4.835 -5.181 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.644 5.518 -4.456 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.828 5.130 -4.487 1.00 0.00 C ATOM 0 H LEU A 73 1.167 3.145 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.285 4.045 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.455 5.248 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.116 6.316 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 73 0.665 3.759 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.664 5.191 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.586 5.255 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.507 6.599 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.773 4.809 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.029 6.201 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.631 4.592 -4.991 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.197 5.794 -9.568 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.632 6.656 -10.661 1.00 0.00 C ATOM 1110 C GLN A 74 -1.861 6.079 -11.354 1.00 0.00 C ATOM 1111 O GLN A 74 -2.805 6.803 -11.669 1.00 0.00 O ATOM 1112 CB GLN A 74 0.501 6.841 -11.673 1.00 0.00 C ATOM 1113 CG GLN A 74 1.748 7.476 -11.081 1.00 0.00 C ATOM 1114 CD GLN A 74 2.970 7.293 -11.960 1.00 0.00 C ATOM 1115 OE1 GLN A 74 3.852 6.382 -11.568 1.00 0.00 O flip ATOM 1116 NE2 GLN A 74 3.119 7.965 -12.982 1.00 0.00 N flip ATOM 0 H GLN A 74 0.798 5.569 -9.578 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.898 7.627 -10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.763 5.870 -12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.144 7.460 -12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.571 8.541 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.942 7.041 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.415 8.655 -13.246 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.946 7.832 -13.564 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.842 4.771 -11.589 1.00 0.00 N ATOM 1126 CA ARG A 75 -2.954 4.097 -12.247 1.00 0.00 C ATOM 1127 C ARG A 75 -4.263 4.355 -11.505 1.00 0.00 C ATOM 1128 O ARG A 75 -5.340 4.333 -12.099 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.691 2.592 -12.329 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.399 2.238 -13.049 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.018 0.784 -12.828 1.00 0.00 C ATOM 1132 NE ARG A 75 -1.764 -0.116 -13.703 1.00 0.00 N ATOM 1133 CZ ARG A 75 -1.424 -0.366 -14.962 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -0.355 0.213 -15.491 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -2.154 -1.197 -15.696 1.00 0.00 N ATOM 0 H ARG A 75 -1.068 4.157 -11.333 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.042 4.499 -13.256 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.659 2.182 -11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.526 2.113 -12.841 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.513 2.427 -14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.595 2.884 -12.695 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.050 0.658 -13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.203 0.515 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.592 -0.578 -13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.209 0.852 -14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.096 0.019 -16.458 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.977 -1.644 -15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.892 -1.388 -16.663 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.159 4.599 -10.203 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.334 4.859 -9.379 1.00 0.00 C ATOM 1151 C TRP A 76 -5.644 6.352 -9.331 1.00 0.00 C ATOM 1152 O TRP A 76 -6.646 6.805 -9.882 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.119 4.324 -7.963 1.00 0.00 C ATOM 1154 CG TRP A 76 -4.846 2.851 -7.919 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.634 2.248 -7.739 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.804 1.798 -8.061 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.782 0.882 -7.761 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.104 0.580 -7.955 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.186 1.764 -8.264 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.740 -0.655 -8.048 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.816 0.538 -8.356 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.094 -0.658 -8.248 1.00 0.00 C ATOM 0 H TRP A 76 -3.274 4.622 -9.696 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.183 4.344 -9.828 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.284 4.855 -7.505 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.003 4.540 -7.363 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.698 2.768 -7.600 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.029 0.203 -7.651 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.752 2.680 -8.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.185 -1.578 -7.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.884 0.501 -8.514 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.616 -1.600 -8.324 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.777 7.111 -8.668 1.00 0.00 N ATOM 1174 CA ALA A 77 -4.958 8.552 -8.550 1.00 0.00 C ATOM 1175 C ALA A 77 -4.517 9.267 -9.823 1.00 0.00 C ATOM 1176 O ALA A 77 -5.346 9.740 -10.599 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.187 9.083 -7.350 1.00 0.00 C ATOM 0 H ALA A 77 -3.943 6.751 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.020 8.750 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.331 10.161 -7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.551 8.603 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.126 8.866 -7.474 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.205 9.342 -10.030 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.678 10.001 -11.211 1.00 0.00 C ATOM 1185 C GLY A 78 -1.254 10.484 -11.018 1.00 0.00 C ATOM 1186 O GLY A 78 -0.307 9.697 -10.994 1.00 0.00 O ATOM 0 H GLY A 78 -2.499 8.959 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.713 9.311 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.315 10.848 -11.465 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.088 11.808 -10.877 1.00 0.00 N ATOM 1191 CA PRO A 79 0.228 12.423 -10.684 1.00 0.00 C ATOM 1192 C PRO A 79 0.823 12.104 -9.316 1.00 0.00 C ATOM 1193 O PRO A 79 0.283 12.506 -8.284 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.060 13.922 -10.805 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.494 14.062 -10.428 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.172 12.804 -10.895 1.00 0.00 C ATOM 0 HA PRO A 79 0.959 12.055 -11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.582 14.503 -10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.120 14.279 -11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.603 14.187 -9.351 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.936 14.941 -10.897 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.991 12.519 -10.234 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.594 12.921 -11.893 1.00 0.00 H new ATOM 1204 N LEU A 80 1.937 11.381 -9.315 1.00 0.00 N ATOM 1205 CA LEU A 80 2.605 11.008 -8.073 1.00 0.00 C ATOM 1206 C LEU A 80 4.083 11.383 -8.117 1.00 0.00 C ATOM 1207 O LEU A 80 4.811 11.032 -9.046 1.00 0.00 O ATOM 1208 CB LEU A 80 2.456 9.506 -7.821 1.00 0.00 C ATOM 1209 CG LEU A 80 1.166 9.067 -7.129 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.183 9.471 -5.663 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.046 9.660 -7.833 1.00 0.00 C ATOM 0 H LEU A 80 2.397 11.041 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 80 2.133 11.555 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.526 8.989 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.300 9.174 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 80 1.098 7.981 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.257 9.150 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.030 8.998 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.275 10.554 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.955 9.337 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.015 10.748 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.067 9.321 -8.869 1.00 0.00 H new ATOM 1223 N PRO A 81 4.539 12.113 -7.088 1.00 0.00 N ATOM 1224 CA PRO A 81 5.935 12.549 -6.984 1.00 0.00 C ATOM 1225 C PRO A 81 6.887 11.389 -6.711 1.00 0.00 C ATOM 1226 O PRO A 81 6.484 10.226 -6.729 1.00 0.00 O ATOM 1227 CB PRO A 81 5.917 13.516 -5.798 1.00 0.00 C ATOM 1228 CG PRO A 81 4.753 13.085 -4.975 1.00 0.00 C ATOM 1229 CD PRO A 81 3.728 12.567 -5.947 1.00 0.00 C ATOM 0 HA PRO A 81 6.292 12.997 -7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.845 13.462 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.806 14.548 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.043 12.311 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.355 13.918 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.144 11.752 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.023 13.345 -6.240 1.00 0.00 H new ATOM 1237 N ALA A 82 8.150 11.714 -6.458 1.00 0.00 N ATOM 1238 CA ALA A 82 9.158 10.698 -6.179 1.00 0.00 C ATOM 1239 C ALA A 82 9.964 11.053 -4.933 1.00 0.00 C ATOM 1240 O ALA A 82 10.039 10.269 -3.986 1.00 0.00 O ATOM 1241 CB ALA A 82 10.081 10.526 -7.376 1.00 0.00 C ATOM 0 H ALA A 82 8.500 12.672 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 82 8.645 9.754 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.828 9.764 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.498 10.219 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.579 11.471 -7.590 1.00 0.00 H new ATOM 1247 N THR A 83 10.566 12.238 -4.941 1.00 0.00 N ATOM 1248 CA THR A 83 11.367 12.695 -3.813 1.00 0.00 C ATOM 1249 C THR A 83 10.537 12.753 -2.536 1.00 0.00 C ATOM 1250 O THR A 83 11.077 12.689 -1.430 1.00 0.00 O ATOM 1251 CB THR A 83 11.972 14.086 -4.081 1.00 0.00 C ATOM 1252 OG1 THR A 83 10.939 15.007 -4.451 1.00 0.00 O ATOM 1253 CG2 THR A 83 13.016 14.019 -5.185 1.00 0.00 C ATOM 0 H THR A 83 10.514 12.899 -5.716 1.00 0.00 H new ATOM 0 HA THR A 83 12.174 11.973 -3.686 1.00 0.00 H new ATOM 0 HB THR A 83 12.455 14.430 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.332 15.889 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.429 15.013 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.816 13.340 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.553 13.656 -6.102 1.00 0.00 H new ATOM 1261 N HIS A 84 9.223 12.871 -2.694 1.00 0.00 N ATOM 1262 CA HIS A 84 8.318 12.935 -1.552 1.00 0.00 C ATOM 1263 C HIS A 84 8.194 11.570 -0.880 1.00 0.00 C ATOM 1264 O HIS A 84 8.159 11.472 0.348 1.00 0.00 O ATOM 1265 CB HIS A 84 6.939 13.425 -1.994 1.00 0.00 C ATOM 1266 CG HIS A 84 6.787 14.914 -1.936 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.599 15.537 -1.617 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.682 15.905 -2.157 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.769 16.847 -1.646 1.00 0.00 C ATOM 1270 NE2 HIS A 84 7.024 17.097 -1.971 1.00 0.00 N ATOM 0 H HIS A 84 8.761 12.924 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 84 8.732 13.640 -0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.752 13.088 -3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.179 12.965 -1.362 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.725 15.061 -1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.720 15.782 -2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.010 17.587 -1.439 1.00 0.00 H new ATOM 1279 N LEU A 85 8.128 10.521 -1.691 1.00 0.00 N ATOM 1280 CA LEU A 85 8.008 9.162 -1.176 1.00 0.00 C ATOM 1281 C LEU A 85 9.169 8.827 -0.243 1.00 0.00 C ATOM 1282 O LEU A 85 10.333 9.007 -0.598 1.00 0.00 O ATOM 1283 CB LEU A 85 7.961 8.159 -2.330 1.00 0.00 C ATOM 1284 CG LEU A 85 7.792 6.691 -1.938 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.489 6.486 -1.182 1.00 0.00 C ATOM 1286 CD2 LEU A 85 7.843 5.800 -3.171 1.00 0.00 C ATOM 0 H LEU A 85 8.156 10.585 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 85 7.080 9.097 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.139 8.435 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.881 8.256 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 85 8.616 6.414 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.387 5.435 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.493 7.095 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.651 6.781 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.721 4.759 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.041 6.078 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.804 5.924 -3.670 1.00 0.00 H new ATOM 1298 N ARG A 86 8.842 8.339 0.948 1.00 0.00 N ATOM 1299 CA ARG A 86 9.856 7.979 1.931 1.00 0.00 C ATOM 1300 C ARG A 86 9.417 6.769 2.748 1.00 0.00 C ATOM 1301 O ARG A 86 8.317 6.746 3.303 1.00 0.00 O ATOM 1302 CB ARG A 86 10.139 9.161 2.860 1.00 0.00 C ATOM 1303 CG ARG A 86 11.215 10.100 2.342 1.00 0.00 C ATOM 1304 CD ARG A 86 11.608 11.129 3.390 1.00 0.00 C ATOM 1305 NE ARG A 86 12.800 11.880 3.001 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.794 12.844 2.088 1.00 0.00 C ATOM 1307 NH1 ARG A 86 11.667 13.175 1.474 1.00 0.00 N ATOM 1308 NH2 ARG A 86 13.920 13.482 1.788 1.00 0.00 N ATOM 0 H ARG A 86 7.882 8.184 1.256 1.00 0.00 H new ATOM 0 HA ARG A 86 10.769 7.721 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.218 9.724 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.440 8.781 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.093 9.523 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.856 10.609 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.780 11.820 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.790 10.627 4.340 1.00 0.00 H new ATOM 0 HE ARG A 86 13.684 11.651 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.800 12.689 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.667 13.916 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.789 13.231 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.915 14.223 1.087 1.00 0.00 H new ATOM 1322 N HIS A 87 10.283 5.761 2.818 1.00 0.00 N ATOM 1323 CA HIS A 87 9.983 4.547 3.568 1.00 0.00 C ATOM 1324 C HIS A 87 9.984 4.820 5.069 1.00 0.00 C ATOM 1325 O HIS A 87 10.981 5.281 5.627 1.00 0.00 O ATOM 1326 CB HIS A 87 11.000 3.454 3.237 1.00 0.00 C ATOM 1327 CG HIS A 87 10.985 2.310 4.203 1.00 0.00 C ATOM 1328 ND1 HIS A 87 11.872 2.199 5.253 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.184 1.222 4.274 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.616 1.093 5.928 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.596 0.481 5.355 1.00 0.00 N ATOM 0 H HIS A 87 11.197 5.762 2.365 1.00 0.00 H new ATOM 0 HA HIS A 87 8.988 4.208 3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.801 3.075 2.235 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.998 3.891 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.371 0.981 3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.150 0.748 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.182 -0.398 5.664 1.00 0.00 H new ATOM 1340 N LEU A 88 8.860 4.537 5.718 1.00 0.00 N ATOM 1341 CA LEU A 88 8.729 4.753 7.155 1.00 0.00 C ATOM 1342 C LEU A 88 8.373 3.455 7.871 1.00 0.00 C ATOM 1343 O LEU A 88 7.202 3.092 7.975 1.00 0.00 O ATOM 1344 CB LEU A 88 7.664 5.814 7.436 1.00 0.00 C ATOM 1345 CG LEU A 88 7.763 7.099 6.614 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.603 8.029 6.937 1.00 0.00 C ATOM 1347 CD2 LEU A 88 9.093 7.794 6.869 1.00 0.00 C ATOM 0 H LEU A 88 8.025 4.157 5.272 1.00 0.00 H new ATOM 0 HA LEU A 88 9.689 5.102 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.683 5.370 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.713 6.078 8.493 1.00 0.00 H new ATOM 0 HG LEU A 88 7.709 6.837 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.690 8.939 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.662 7.531 6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.625 8.284 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.146 8.707 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.176 8.043 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.910 7.130 6.587 1.00 0.00 H new ATOM 1359 N GLY A 89 9.392 2.758 8.366 1.00 0.00 N ATOM 1360 CA GLY A 89 9.165 1.509 9.068 1.00 0.00 C ATOM 1361 C GLY A 89 8.688 0.404 8.147 1.00 0.00 C ATOM 1362 O GLY A 89 8.660 0.573 6.928 1.00 0.00 O ATOM 0 H GLY A 89 10.370 3.037 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.088 1.197 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.426 1.667 9.854 1.00 0.00 H new ATOM 1366 N GLU A 90 8.314 -0.732 8.729 1.00 0.00 N ATOM 1367 CA GLU A 90 7.840 -1.869 7.951 1.00 0.00 C ATOM 1368 C GLU A 90 6.738 -2.617 8.696 1.00 0.00 C ATOM 1369 O GLU A 90 6.469 -2.344 9.866 1.00 0.00 O ATOM 1370 CB GLU A 90 8.995 -2.820 7.638 1.00 0.00 C ATOM 1371 CG GLU A 90 9.284 -3.814 8.752 1.00 0.00 C ATOM 1372 CD GLU A 90 10.743 -4.226 8.802 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.615 -3.337 8.707 1.00 0.00 O ATOM 1374 OE2 GLU A 90 11.012 -5.438 8.938 1.00 0.00 O ATOM 0 H GLU A 90 8.331 -0.888 9.737 1.00 0.00 H new ATOM 0 HA GLU A 90 7.429 -1.489 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.766 -3.368 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.894 -2.235 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.001 -3.374 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.665 -4.700 8.613 1.00 0.00 H new ATOM 1381 N VAL A 91 6.102 -3.561 8.009 1.00 0.00 N ATOM 1382 CA VAL A 91 5.031 -4.349 8.606 1.00 0.00 C ATOM 1383 C VAL A 91 5.070 -5.792 8.114 1.00 0.00 C ATOM 1384 O VAL A 91 4.763 -6.072 6.956 1.00 0.00 O ATOM 1385 CB VAL A 91 3.649 -3.748 8.289 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.542 -4.716 8.679 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.474 -2.412 8.996 1.00 0.00 C ATOM 0 H VAL A 91 6.310 -3.798 7.039 1.00 0.00 H new ATOM 0 HA VAL A 91 5.189 -4.331 9.684 1.00 0.00 H new ATOM 0 HB VAL A 91 3.586 -3.576 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.573 -4.273 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.659 -5.646 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.600 -4.924 9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.492 -2.002 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.558 -2.557 10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.246 -1.719 8.661 1.00 0.00 H new ATOM 1397 N VAL A 92 5.450 -6.704 9.003 1.00 0.00 N ATOM 1398 CA VAL A 92 5.529 -8.119 8.660 1.00 0.00 C ATOM 1399 C VAL A 92 4.616 -8.952 9.553 1.00 0.00 C ATOM 1400 O VAL A 92 4.887 -9.130 10.742 1.00 0.00 O ATOM 1401 CB VAL A 92 6.971 -8.647 8.782 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.990 -10.167 8.719 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.851 -8.049 7.696 1.00 0.00 C ATOM 0 H VAL A 92 5.708 -6.488 9.966 1.00 0.00 H new ATOM 0 HA VAL A 92 5.203 -8.213 7.624 1.00 0.00 H new ATOM 0 HB VAL A 92 7.370 -8.342 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.017 -10.522 8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.395 -10.573 9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.572 -10.497 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.866 -8.433 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.456 -8.321 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.862 -6.963 7.794 1.00 0.00 H new ATOM 1413 N HIS A 93 3.535 -9.461 8.974 1.00 0.00 N ATOM 1414 CA HIS A 93 2.581 -10.278 9.717 1.00 0.00 C ATOM 1415 C HIS A 93 2.795 -11.761 9.428 1.00 0.00 C ATOM 1416 O HIS A 93 2.607 -12.219 8.301 1.00 0.00 O ATOM 1417 CB HIS A 93 1.148 -9.878 9.361 1.00 0.00 C ATOM 1418 CG HIS A 93 0.120 -10.450 10.287 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.777 -11.447 10.107 1.00 0.00 N flip ATOM 1420 CD2 HIS A 93 -0.072 -9.990 11.574 1.00 0.00 C flip ATOM 1421 CE1 HIS A 93 -1.487 -11.572 11.277 1.00 0.00 C flip ATOM 1422 NE2 HIS A 93 -1.042 -10.682 12.145 1.00 0.00 N flip ATOM 0 H HIS A 93 3.296 -9.323 7.992 1.00 0.00 H new ATOM 0 HA HIS A 93 2.744 -10.106 10.781 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.070 -8.791 9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.930 -10.204 8.344 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -0.903 -12.002 9.261 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.483 -9.190 12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.280 -12.283 11.457 1.00 0.00 H new ATOM 1431 N THR A 94 3.190 -12.507 10.454 1.00 0.00 N ATOM 1432 CA THR A 94 3.431 -13.938 10.311 1.00 0.00 C ATOM 1433 C THR A 94 2.150 -14.735 10.524 1.00 0.00 C ATOM 1434 O THR A 94 1.641 -14.825 11.641 1.00 0.00 O ATOM 1435 CB THR A 94 4.500 -14.430 11.305 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.345 -13.760 12.561 1.00 0.00 O ATOM 1437 CG2 THR A 94 5.899 -14.183 10.762 1.00 0.00 C ATOM 0 H THR A 94 3.350 -12.144 11.394 1.00 0.00 H new ATOM 0 HA THR A 94 3.790 -14.098 9.294 1.00 0.00 H new ATOM 0 HB THR A 94 4.367 -15.503 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.403 -13.782 12.829 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.637 -14.539 11.481 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.023 -14.718 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.041 -13.115 10.595 1.00 0.00 H new ATOM 1445 N PHE A 95 1.633 -15.314 9.446 1.00 0.00 N ATOM 1446 CA PHE A 95 0.409 -16.106 9.515 1.00 0.00 C ATOM 1447 C PHE A 95 0.706 -17.525 9.989 1.00 0.00 C ATOM 1448 O PHE A 95 1.864 -17.900 10.176 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.276 -16.145 8.147 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.909 -14.840 7.757 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.197 -14.531 8.160 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.215 -13.922 6.985 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.782 -13.332 7.802 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -0.794 -12.720 6.624 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.079 -12.424 7.033 1.00 0.00 C ATOM 0 H PHE A 95 2.042 -15.250 8.514 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.260 -15.634 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.457 -16.425 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.040 -16.923 8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.751 -15.236 8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.790 -14.148 6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.788 -13.104 8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.242 -12.013 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.534 -11.485 6.753 1.00 0.00 H new ATOM 1465 N SER A 96 -0.349 -18.312 10.181 1.00 0.00 N ATOM 1466 CA SER A 96 -0.203 -19.688 10.637 1.00 0.00 C ATOM 1467 C SER A 96 0.919 -20.395 9.881 1.00 0.00 C ATOM 1468 O SER A 96 2.007 -20.606 10.419 1.00 0.00 O ATOM 1469 CB SER A 96 -1.516 -20.452 10.451 1.00 0.00 C ATOM 1470 OG SER A 96 -2.461 -20.089 11.444 1.00 0.00 O ATOM 0 H SER A 96 -1.314 -18.019 10.027 1.00 0.00 H new ATOM 0 HA SER A 96 0.051 -19.668 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.925 -20.244 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.327 -21.524 10.499 1.00 0.00 H new ATOM 0 HG SER A 96 -3.292 -20.589 11.303 1.00 0.00 H new ATOM 1476 N HIS A 97 0.646 -20.758 8.633 1.00 0.00 N ATOM 1477 CA HIS A 97 1.632 -21.441 7.802 1.00 0.00 C ATOM 1478 C HIS A 97 2.060 -20.560 6.632 1.00 0.00 C ATOM 1479 O HIS A 97 2.501 -21.059 5.596 1.00 0.00 O ATOM 1480 CB HIS A 97 1.064 -22.761 7.280 1.00 0.00 C ATOM 1481 CG HIS A 97 -0.369 -22.671 6.854 1.00 0.00 C ATOM 1482 ND1 HIS A 97 -1.416 -23.101 7.640 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.925 -22.193 5.716 1.00 0.00 C ATOM 1484 CE1 HIS A 97 -2.556 -22.894 7.004 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -2.285 -22.343 5.834 1.00 0.00 N ATOM 0 H HIS A 97 -0.249 -20.591 8.174 1.00 0.00 H new ATOM 0 HA HIS A 97 2.507 -21.649 8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.665 -23.096 6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.156 -23.519 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.398 -21.772 4.873 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.541 -23.134 7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.974 -22.073 5.132 1.00 0.00 H new ATOM 1494 N ILE A 98 1.926 -19.250 6.805 1.00 0.00 N ATOM 1495 CA ILE A 98 2.299 -18.301 5.764 1.00 0.00 C ATOM 1496 C ILE A 98 2.996 -17.080 6.356 1.00 0.00 C ATOM 1497 O ILE A 98 2.733 -16.695 7.496 1.00 0.00 O ATOM 1498 CB ILE A 98 1.071 -17.836 4.959 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.361 -19.038 4.332 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.486 -16.840 3.886 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -1.127 -18.834 4.150 1.00 0.00 C ATOM 0 H ILE A 98 1.562 -18.822 7.656 1.00 0.00 H new ATOM 0 HA ILE A 98 2.986 -18.821 5.096 1.00 0.00 H new ATOM 0 HB ILE A 98 0.377 -17.340 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.812 -19.251 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.525 -19.914 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.607 -16.521 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.952 -15.973 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.197 -17.311 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.564 -19.726 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.590 -18.651 5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.300 -17.978 3.498 1.00 0.00 H new ATOM 1513 N LYS A 99 3.882 -16.474 5.575 1.00 0.00 N ATOM 1514 CA LYS A 99 4.615 -15.294 6.019 1.00 0.00 C ATOM 1515 C LYS A 99 4.431 -14.139 5.041 1.00 0.00 C ATOM 1516 O LYS A 99 4.817 -14.232 3.874 1.00 0.00 O ATOM 1517 CB LYS A 99 6.104 -15.619 6.167 1.00 0.00 C ATOM 1518 CG LYS A 99 6.800 -14.802 7.241 1.00 0.00 C ATOM 1519 CD LYS A 99 8.261 -14.561 6.898 1.00 0.00 C ATOM 1520 CE LYS A 99 8.440 -13.287 6.086 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.053 -13.479 4.661 1.00 0.00 N ATOM 0 H LYS A 99 4.111 -16.781 4.629 1.00 0.00 H new ATOM 0 HA LYS A 99 4.217 -14.993 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.215 -16.678 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.601 -15.448 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.290 -13.846 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.730 -15.321 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.845 -14.494 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.649 -15.410 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.837 -12.491 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.480 -12.965 6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.490 -12.736 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.380 -14.411 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.018 -13.425 4.572 1.00 0.00 H new ATOM 1535 N LEU A 100 3.841 -13.051 5.522 1.00 0.00 N ATOM 1536 CA LEU A 100 3.606 -11.876 4.690 1.00 0.00 C ATOM 1537 C LEU A 100 4.528 -10.729 5.095 1.00 0.00 C ATOM 1538 O LEU A 100 4.774 -10.505 6.280 1.00 0.00 O ATOM 1539 CB LEU A 100 2.147 -11.433 4.795 1.00 0.00 C ATOM 1540 CG LEU A 100 1.197 -11.992 3.735 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.645 -11.574 2.344 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.115 -13.508 3.838 1.00 0.00 C ATOM 0 H LEU A 100 3.516 -12.958 6.484 1.00 0.00 H new ATOM 0 HA LEU A 100 3.823 -12.146 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.771 -11.719 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.114 -10.345 4.745 1.00 0.00 H new ATOM 0 HG LEU A 100 0.203 -11.582 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.957 -11.981 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.651 -10.486 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.649 -11.955 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.435 -13.888 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.105 -13.937 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.746 -13.786 4.825 1.00 0.00 H new ATOM 1554 N THR A 101 5.034 -10.003 4.102 1.00 0.00 N ATOM 1555 CA THR A 101 5.926 -8.880 4.356 1.00 0.00 C ATOM 1556 C THR A 101 5.469 -7.635 3.603 1.00 0.00 C ATOM 1557 O THR A 101 5.603 -7.552 2.382 1.00 0.00 O ATOM 1558 CB THR A 101 7.374 -9.210 3.947 1.00 0.00 C ATOM 1559 OG1 THR A 101 7.912 -10.210 4.819 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.247 -7.965 3.994 1.00 0.00 C ATOM 0 H THR A 101 4.841 -10.174 3.115 1.00 0.00 H new ATOM 0 HA THR A 101 5.894 -8.686 5.428 1.00 0.00 H new ATOM 0 HB THR A 101 7.363 -9.587 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.832 -10.416 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.265 -8.223 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.851 -7.217 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.252 -7.562 5.007 1.00 0.00 H new ATOM 1568 N TYR A 102 4.931 -6.668 4.339 1.00 0.00 N ATOM 1569 CA TYR A 102 4.453 -5.428 3.741 1.00 0.00 C ATOM 1570 C TYR A 102 5.400 -4.273 4.052 1.00 0.00 C ATOM 1571 O TYR A 102 5.829 -4.098 5.193 1.00 0.00 O ATOM 1572 CB TYR A 102 3.048 -5.101 4.248 1.00 0.00 C ATOM 1573 CG TYR A 102 1.964 -5.944 3.615 1.00 0.00 C ATOM 1574 CD1 TYR A 102 1.674 -7.214 4.098 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.230 -5.470 2.535 1.00 0.00 C ATOM 1576 CE1 TYR A 102 0.686 -7.988 3.522 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.238 -6.237 1.954 1.00 0.00 C ATOM 1578 CZ TYR A 102 -0.029 -7.495 2.451 1.00 0.00 C ATOM 1579 OH TYR A 102 -1.017 -8.263 1.876 1.00 0.00 O ATOM 0 H TYR A 102 4.815 -6.720 5.351 1.00 0.00 H new ATOM 0 HA TYR A 102 4.419 -5.565 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.020 -5.239 5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.837 -4.049 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.231 -7.602 4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.438 -4.485 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.474 -8.974 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.325 -5.853 1.116 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.425 -7.769 1.134 1.00 0.00 H new ATOM 1589 N GLN A 103 5.721 -3.488 3.029 1.00 0.00 N ATOM 1590 CA GLN A 103 6.617 -2.349 3.192 1.00 0.00 C ATOM 1591 C GLN A 103 5.830 -1.046 3.285 1.00 0.00 C ATOM 1592 O GLN A 103 5.126 -0.666 2.349 1.00 0.00 O ATOM 1593 CB GLN A 103 7.607 -2.280 2.028 1.00 0.00 C ATOM 1594 CG GLN A 103 8.480 -3.517 1.897 1.00 0.00 C ATOM 1595 CD GLN A 103 9.654 -3.506 2.858 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.688 -2.898 2.585 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.497 -4.181 3.991 1.00 0.00 N ATOM 0 H GLN A 103 5.374 -3.620 2.079 1.00 0.00 H new ATOM 0 HA GLN A 103 7.170 -2.485 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.054 -2.136 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.246 -1.407 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.875 -4.405 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.852 -3.588 0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.622 -4.671 4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.252 -4.209 4.676 1.00 0.00 H new ATOM 1606 N VAL A 104 5.954 -0.364 4.418 1.00 0.00 N ATOM 1607 CA VAL A 104 5.255 0.897 4.633 1.00 0.00 C ATOM 1608 C VAL A 104 5.915 2.031 3.855 1.00 0.00 C ATOM 1609 O VAL A 104 7.098 2.318 4.040 1.00 0.00 O ATOM 1610 CB VAL A 104 5.214 1.271 6.127 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.472 2.583 6.330 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.571 0.154 6.936 1.00 0.00 C ATOM 0 H VAL A 104 6.533 -0.664 5.203 1.00 0.00 H new ATOM 0 HA VAL A 104 4.235 0.758 4.274 1.00 0.00 H new ATOM 0 HB VAL A 104 6.237 1.403 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.454 2.830 7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.979 3.377 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.450 2.484 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.550 0.434 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.553 -0.011 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.149 -0.762 6.815 1.00 0.00 H new ATOM 1622 N TYR A 105 5.143 2.672 2.986 1.00 0.00 N ATOM 1623 CA TYR A 105 5.653 3.774 2.178 1.00 0.00 C ATOM 1624 C TYR A 105 4.703 4.967 2.221 1.00 0.00 C ATOM 1625 O TYR A 105 3.632 4.944 1.619 1.00 0.00 O ATOM 1626 CB TYR A 105 5.856 3.322 0.730 1.00 0.00 C ATOM 1627 CG TYR A 105 7.201 2.678 0.480 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.351 3.450 0.365 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.322 1.300 0.360 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.582 2.866 0.134 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.549 0.707 0.131 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.677 1.495 0.019 1.00 0.00 C ATOM 1633 OH TYR A 105 10.901 0.910 -0.208 1.00 0.00 O ATOM 0 H TYR A 105 4.161 2.448 2.822 1.00 0.00 H new ATOM 0 HA TYR A 105 6.613 4.081 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.069 2.616 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.747 4.183 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.281 4.524 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.442 0.681 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.466 3.480 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.625 -0.366 0.040 1.00 0.00 H new ATOM 0 HH TYR A 105 10.843 -0.051 -0.026 1.00 0.00 H new ATOM 1643 N GLY A 106 5.107 6.010 2.941 1.00 0.00 N ATOM 1644 CA GLY A 106 4.281 7.199 3.050 1.00 0.00 C ATOM 1645 C GLY A 106 4.391 8.095 1.832 1.00 0.00 C ATOM 1646 O GLY A 106 5.448 8.180 1.207 1.00 0.00 O ATOM 0 H GLY A 106 5.990 6.053 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.241 6.904 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.573 7.760 3.938 1.00 0.00 H new ATOM 1650 N LEU A 107 3.294 8.763 1.492 1.00 0.00 N ATOM 1651 CA LEU A 107 3.270 9.656 0.338 1.00 0.00 C ATOM 1652 C LEU A 107 2.031 10.547 0.365 1.00 0.00 C ATOM 1653 O LEU A 107 0.904 10.062 0.268 1.00 0.00 O ATOM 1654 CB LEU A 107 3.302 8.847 -0.959 1.00 0.00 C ATOM 1655 CG LEU A 107 3.619 9.632 -2.233 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.497 10.609 -2.549 1.00 0.00 C ATOM 1657 CD2 LEU A 107 4.944 10.366 -2.090 1.00 0.00 C ATOM 0 H LEU A 107 2.410 8.704 1.998 1.00 0.00 H new ATOM 0 HA LEU A 107 4.154 10.292 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.042 8.054 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.333 8.363 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 107 3.704 8.928 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.739 11.159 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.567 10.060 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.380 11.309 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.154 10.919 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.887 11.060 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.742 9.645 -1.911 1.00 0.00 H new ATOM 1669 N ALA A 108 2.249 11.851 0.495 1.00 0.00 N ATOM 1670 CA ALA A 108 1.152 12.810 0.531 1.00 0.00 C ATOM 1671 C ALA A 108 1.467 14.036 -0.318 1.00 0.00 C ATOM 1672 O ALA A 108 2.632 14.360 -0.551 1.00 0.00 O ATOM 1673 CB ALA A 108 0.856 13.220 1.965 1.00 0.00 C ATOM 0 H ALA A 108 3.176 12.268 0.577 1.00 0.00 H new ATOM 0 HA ALA A 108 0.268 12.329 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.035 13.936 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.578 12.340 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.743 13.678 2.403 1.00 0.00 H new ATOM 1679 N LEU A 109 0.422 14.716 -0.778 1.00 0.00 N ATOM 1680 CA LEU A 109 0.588 15.908 -1.603 1.00 0.00 C ATOM 1681 C LEU A 109 0.601 17.168 -0.743 1.00 0.00 C ATOM 1682 O LEU A 109 -0.447 17.645 -0.310 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.534 15.996 -2.638 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.604 14.852 -3.651 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.880 14.945 -4.474 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.619 14.867 -4.557 1.00 0.00 C ATOM 0 H LEU A 109 -0.549 14.462 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 109 1.545 15.832 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.486 16.045 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.424 16.933 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.616 13.909 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.912 14.123 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.745 14.885 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.899 15.894 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.553 14.046 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.662 15.814 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.520 14.751 -3.954 1.00 0.00 H new ATOM 1698 N GLU A 110 1.795 17.700 -0.500 1.00 0.00 N ATOM 1699 CA GLU A 110 1.944 18.905 0.307 1.00 0.00 C ATOM 1700 C GLU A 110 1.413 20.128 -0.438 1.00 0.00 C ATOM 1701 O GLU A 110 0.643 20.916 0.111 1.00 0.00 O ATOM 1702 CB GLU A 110 3.412 19.119 0.679 1.00 0.00 C ATOM 1703 CG GLU A 110 3.661 20.394 1.467 1.00 0.00 C ATOM 1704 CD GLU A 110 5.122 20.801 1.471 1.00 0.00 C ATOM 1705 OE1 GLU A 110 5.550 21.478 0.514 1.00 0.00 O ATOM 1706 OE2 GLU A 110 5.836 20.443 2.431 1.00 0.00 O ATOM 0 H GLU A 110 2.672 17.316 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 110 1.361 18.775 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.758 18.267 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.009 19.143 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.064 21.201 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.324 20.254 2.494 1.00 0.00 H new ATOM 1751 N PRO A 114 -3.856 18.430 -7.671 1.00 0.00 N ATOM 1752 CA PRO A 114 -4.858 17.480 -7.182 1.00 0.00 C ATOM 1753 C PRO A 114 -5.189 16.405 -8.212 1.00 0.00 C ATOM 1754 O PRO A 114 -4.820 16.517 -9.382 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.082 18.360 -6.916 1.00 0.00 C ATOM 1756 CG PRO A 114 -5.910 19.531 -7.822 1.00 0.00 C ATOM 1757 CD PRO A 114 -4.428 19.764 -7.919 1.00 0.00 C ATOM 0 HA PRO A 114 -4.509 16.935 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.008 17.826 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.127 18.670 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.339 19.331 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -6.418 20.410 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.145 20.147 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.086 20.491 -7.182 1.00 0.00 H new ATOM 1765 N VAL A 115 -5.887 15.363 -7.771 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.269 14.268 -8.655 1.00 0.00 C ATOM 1767 C VAL A 115 -7.706 14.429 -9.138 1.00 0.00 C ATOM 1768 O VAL A 115 -8.007 14.212 -10.313 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.123 12.905 -7.955 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.902 12.888 -6.649 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.583 11.784 -8.875 1.00 0.00 C ATOM 0 H VAL A 115 -6.200 15.254 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.595 14.301 -9.511 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.070 12.746 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.786 11.916 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.521 13.667 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.957 13.069 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.473 10.827 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.629 11.937 -9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.976 11.784 -9.780 1.00 0.00 H new ATOM 1781 N THR A 116 -8.593 14.810 -8.225 1.00 0.00 N ATOM 1782 CA THR A 116 -10.000 14.999 -8.556 1.00 0.00 C ATOM 1783 C THR A 116 -10.486 13.924 -9.521 1.00 0.00 C ATOM 1784 O THR A 116 -11.229 14.208 -10.462 1.00 0.00 O ATOM 1785 CB THR A 116 -10.249 16.385 -9.181 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.686 16.437 -10.498 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.641 17.483 -8.321 1.00 0.00 C ATOM 0 H THR A 116 -8.362 14.994 -7.249 1.00 0.00 H new ATOM 0 HA THR A 116 -10.558 14.925 -7.622 1.00 0.00 H new ATOM 0 HB THR A 116 -11.326 16.545 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.136 15.641 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.829 18.453 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.091 17.459 -7.329 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.566 17.325 -8.235 1.00 0.00 H new ATOM 1795 N THR A 117 -10.063 12.686 -9.283 1.00 0.00 N ATOM 1796 CA THR A 117 -10.455 11.567 -10.131 1.00 0.00 C ATOM 1797 C THR A 117 -10.145 10.234 -9.461 1.00 0.00 C ATOM 1798 O THR A 117 -9.261 10.147 -8.609 1.00 0.00 O ATOM 1799 CB THR A 117 -9.743 11.622 -11.496 1.00 0.00 C ATOM 1800 OG1 THR A 117 -10.357 10.701 -12.405 1.00 0.00 O ATOM 1801 CG2 THR A 117 -8.266 11.289 -11.349 1.00 0.00 C ATOM 0 H THR A 117 -9.448 12.433 -8.509 1.00 0.00 H new ATOM 0 HA THR A 117 -11.531 11.649 -10.287 1.00 0.00 H new ATOM 0 HB THR A 117 -9.833 12.635 -11.889 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.900 10.743 -13.271 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.784 11.334 -12.326 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.796 12.008 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.158 10.285 -10.937 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.877 9.196 -9.853 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.679 7.865 -9.291 1.00 0.00 C ATOM 1811 C VAL A 118 -11.568 6.838 -9.982 1.00 0.00 C ATOM 1812 O VAL A 118 -12.750 7.073 -10.232 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.970 7.845 -7.778 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.440 8.138 -7.514 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.567 6.508 -7.177 1.00 0.00 C ATOM 0 H VAL A 118 -11.613 9.251 -10.558 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.633 7.605 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.378 8.625 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.628 8.120 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.692 9.122 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.055 7.382 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.779 6.511 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.131 5.708 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.501 6.345 -7.335 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.988 5.672 -10.300 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.710 4.584 -10.966 1.00 0.00 C ATOM 1827 C PRO A 119 -12.747 3.933 -10.057 1.00 0.00 C ATOM 1828 O PRO A 119 -12.799 4.189 -8.853 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.604 3.585 -11.316 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.528 3.849 -10.322 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.582 5.323 -10.032 1.00 0.00 C ATOM 0 HA PRO A 119 -12.272 4.938 -11.830 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.962 2.558 -11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.246 3.731 -12.335 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.685 3.267 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.553 3.565 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.304 5.540 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.900 5.884 -10.671 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.593 3.072 -10.642 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.643 2.367 -9.902 1.00 0.00 C ATOM 1841 C PRO A 120 -14.077 1.317 -8.952 1.00 0.00 C ATOM 1842 O PRO A 120 -14.824 0.609 -8.277 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.468 1.699 -11.006 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.520 1.543 -12.144 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.588 2.720 -12.072 1.00 0.00 C ATOM 0 HA PRO A 120 -15.219 3.042 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.858 0.735 -10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.325 2.312 -11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.970 0.605 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.052 1.524 -13.095 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.587 2.462 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.936 3.547 -12.691 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.752 1.223 -8.903 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.108 0.256 -8.031 1.00 0.00 C ATOM 1855 C GLY A 121 -11.313 0.916 -6.922 1.00 0.00 C ATOM 1856 O GLY A 121 -10.494 0.271 -6.269 1.00 0.00 O ATOM 0 H GLY A 121 -12.113 1.799 -9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.865 -0.395 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.446 -0.377 -8.622 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.555 2.206 -6.709 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.855 2.952 -5.671 1.00 0.00 C ATOM 1862 C ALA A 122 -11.782 3.961 -5.001 1.00 0.00 C ATOM 1863 O ALA A 122 -12.680 4.511 -5.639 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.639 3.656 -6.255 1.00 0.00 C ATOM 0 H ALA A 122 -12.230 2.755 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.521 2.244 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.126 4.209 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.960 2.917 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.958 4.347 -7.035 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.558 4.199 -3.713 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.375 5.141 -2.957 1.00 0.00 C ATOM 1872 C ARG A 123 -11.504 6.024 -2.068 1.00 0.00 C ATOM 1873 O ARG A 123 -10.447 5.601 -1.602 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.398 4.389 -2.103 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.802 3.751 -0.859 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.873 3.440 0.174 1.00 0.00 C ATOM 1877 NE ARG A 123 -13.471 2.358 1.070 1.00 0.00 N ATOM 1878 CZ ARG A 123 -14.263 1.846 2.006 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.492 2.315 2.168 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -13.824 0.862 2.782 1.00 0.00 N ATOM 0 H ARG A 123 -10.818 3.753 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.902 5.778 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.187 5.079 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.866 3.614 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.282 2.833 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -12.060 4.421 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.084 4.335 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.798 3.166 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.531 1.975 0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.832 3.071 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.098 1.920 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.879 0.499 2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -14.432 0.469 3.500 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.957 7.251 -1.837 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.219 8.193 -1.004 1.00 0.00 C ATOM 1896 C TRP A 124 -11.936 8.426 0.321 1.00 0.00 C ATOM 1897 O TRP A 124 -13.027 8.995 0.357 1.00 0.00 O ATOM 1898 CB TRP A 124 -11.038 9.522 -1.740 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.871 9.527 -2.680 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.849 9.054 -3.962 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.557 10.026 -2.412 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.599 9.230 -4.506 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.789 9.824 -3.576 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.954 10.625 -1.303 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.450 10.201 -3.659 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.625 10.997 -1.387 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.886 10.785 -2.558 1.00 0.00 C ATOM 0 H TRP A 124 -12.831 7.617 -2.215 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.239 7.764 -0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.946 9.746 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.909 10.320 -1.008 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.690 8.608 -4.472 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.320 8.962 -5.450 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.516 10.794 -0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.878 10.038 -4.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.148 11.459 -0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.850 11.089 -2.592 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.317 7.980 1.409 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.895 8.140 2.739 1.00 0.00 C ATOM 1920 C LEU A 125 -10.873 8.715 3.713 1.00 0.00 C ATOM 1921 O LEU A 125 -9.686 8.811 3.400 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.411 6.797 3.257 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.490 5.596 3.040 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.246 5.714 3.909 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.227 4.298 3.335 1.00 0.00 C ATOM 0 H LEU A 125 -10.415 7.505 1.396 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.729 8.838 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.605 6.892 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.367 6.588 2.777 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.180 5.585 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.602 4.851 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.706 6.625 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.538 5.751 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.556 3.454 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.567 4.300 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -13.087 4.209 2.671 1.00 0.00 H new ATOM 1937 N THR A 126 -11.340 9.097 4.898 1.00 0.00 N ATOM 1938 CA THR A 126 -10.468 9.662 5.918 1.00 0.00 C ATOM 1939 C THR A 126 -9.713 8.567 6.664 1.00 0.00 C ATOM 1940 O THR A 126 -10.123 7.406 6.660 1.00 0.00 O ATOM 1941 CB THR A 126 -11.262 10.504 6.934 1.00 0.00 C ATOM 1942 OG1 THR A 126 -12.049 9.649 7.771 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.168 11.498 6.221 1.00 0.00 C ATOM 0 H THR A 126 -12.319 9.025 5.174 1.00 0.00 H new ATOM 0 HA THR A 126 -9.755 10.306 5.402 1.00 0.00 H new ATOM 0 HB THR A 126 -10.552 11.058 7.548 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.549 10.192 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.719 12.082 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.564 12.166 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.871 10.959 5.586 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.611 8.944 7.303 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.800 7.992 8.053 1.00 0.00 C ATOM 1953 C GLN A 127 -8.646 7.246 9.079 1.00 0.00 C ATOM 1954 O GLN A 127 -8.447 6.055 9.312 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.646 8.713 8.752 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.795 9.553 7.813 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.138 10.727 8.513 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -3.987 10.644 8.941 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -5.868 11.829 8.634 1.00 0.00 N ATOM 0 H GLN A 127 -8.259 9.901 7.317 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.392 7.266 7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.051 9.355 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.011 7.975 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.025 8.924 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.417 9.923 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -6.818 11.854 8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -5.479 12.650 9.097 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.589 7.957 9.691 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.464 7.362 10.694 1.00 0.00 C ATOM 1970 C GLU A 128 -11.405 6.343 10.058 1.00 0.00 C ATOM 1971 O GLU A 128 -11.520 5.211 10.529 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.274 8.447 11.405 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.462 9.261 12.398 1.00 0.00 C ATOM 1974 CD GLU A 128 -9.769 10.445 11.753 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -10.404 11.515 11.640 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.591 10.303 11.363 1.00 0.00 O ATOM 0 H GLU A 128 -9.766 8.945 9.509 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.840 6.848 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.699 9.119 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.110 7.981 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.118 9.617 13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.716 8.618 12.865 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.076 6.753 8.987 1.00 0.00 N ATOM 1984 CA GLU A 129 -13.008 5.877 8.287 1.00 0.00 C ATOM 1985 C GLU A 129 -12.335 4.563 7.902 1.00 0.00 C ATOM 1986 O GLU A 129 -12.956 3.500 7.937 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.555 6.569 7.037 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.783 7.423 7.302 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.423 7.936 6.026 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.301 7.236 5.481 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -15.046 9.036 5.573 1.00 0.00 O ATOM 0 H GLU A 129 -11.992 7.687 8.585 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.835 5.657 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.773 7.195 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.803 5.813 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.514 6.839 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.504 8.269 7.930 1.00 0.00 H new ATOM 1998 N PHE A 130 -11.061 4.644 7.533 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.302 3.463 7.139 1.00 0.00 C ATOM 2000 C PHE A 130 -10.195 2.474 8.296 1.00 0.00 C ATOM 2001 O PHE A 130 -10.542 1.301 8.159 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.904 3.863 6.664 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.915 2.734 6.693 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.196 2.454 7.844 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.704 1.951 5.568 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.284 1.415 7.872 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.794 0.911 5.592 1.00 0.00 C ATOM 2008 CZ PHE A 130 -6.084 0.642 6.745 1.00 0.00 C ATOM 0 H PHE A 130 -10.532 5.516 7.499 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.832 2.979 6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.971 4.250 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.535 4.675 7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.350 3.054 8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -8.257 2.156 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.728 1.208 8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.638 0.309 4.709 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.374 -0.171 6.766 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.712 2.957 9.437 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.558 2.116 10.618 1.00 0.00 C ATOM 2020 C HIS A 131 -10.745 1.170 10.769 1.00 0.00 C ATOM 2021 O HIS A 131 -10.573 -0.031 10.985 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.418 2.982 11.871 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.019 3.458 12.116 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -6.937 2.607 12.195 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.528 4.706 12.299 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -5.841 3.310 12.417 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.173 4.587 12.484 1.00 0.00 N ATOM 0 H HIS A 131 -9.421 3.926 9.568 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.654 1.520 10.495 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.077 3.846 11.781 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.756 2.412 12.736 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.096 5.624 12.299 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.844 2.909 12.525 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.527 5.359 12.647 1.00 0.00 H new ATOM 2036 N THR A 132 -11.952 1.718 10.656 1.00 0.00 N ATOM 2037 CA THR A 132 -13.166 0.924 10.783 1.00 0.00 C ATOM 2038 C THR A 132 -13.395 0.068 9.542 1.00 0.00 C ATOM 2039 O THR A 132 -13.850 -1.072 9.639 1.00 0.00 O ATOM 2040 CB THR A 132 -14.401 1.817 11.010 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.551 2.730 9.918 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.275 2.593 12.312 1.00 0.00 C ATOM 0 H THR A 132 -12.113 2.709 10.477 1.00 0.00 H new ATOM 0 HA THR A 132 -13.030 0.276 11.649 1.00 0.00 H new ATOM 0 HB THR A 132 -15.280 1.176 11.071 1.00 0.00 H new ATOM 0 HG1 THR A 132 -13.701 2.807 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.158 3.216 12.451 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.189 1.895 13.145 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.387 3.225 12.275 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.076 0.624 8.378 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.244 -0.092 7.119 1.00 0.00 C ATOM 2052 C ALA A 133 -12.669 -1.501 7.207 1.00 0.00 C ATOM 2053 O ALA A 133 -11.666 -1.731 7.882 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.588 0.679 5.983 1.00 0.00 C ATOM 0 H ALA A 133 -12.700 1.567 8.280 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.312 -0.177 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.721 0.133 5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -13.049 1.663 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.524 0.794 6.188 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.309 -2.441 6.519 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.860 -3.828 6.519 1.00 0.00 C ATOM 2062 C ALA A 134 -11.499 -3.962 5.844 1.00 0.00 C ATOM 2063 O ALA A 134 -11.402 -3.979 4.617 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.885 -4.715 5.828 1.00 0.00 C ATOM 0 H ALA A 134 -14.140 -2.267 5.954 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.757 -4.152 7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.536 -5.748 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.837 -4.649 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.017 -4.384 4.798 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.449 -4.059 6.653 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.093 -4.195 6.134 1.00 0.00 C ATOM 2072 C VAL A 135 -8.311 -5.251 6.907 1.00 0.00 C ATOM 2073 O VAL A 135 -8.578 -5.499 8.082 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.331 -2.857 6.200 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.249 -2.806 5.133 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.294 -1.689 6.052 1.00 0.00 C ATOM 0 H VAL A 135 -10.511 -4.046 7.671 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.182 -4.504 5.093 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.849 -2.780 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.722 -1.854 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.544 -3.622 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.705 -2.905 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.740 -0.752 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.805 -1.758 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.028 -1.719 6.857 1.00 0.00 H new ATOM 2086 N SER A 136 -7.344 -5.870 6.238 1.00 0.00 N ATOM 2087 CA SER A 136 -6.524 -6.904 6.860 1.00 0.00 C ATOM 2088 C SER A 136 -5.687 -6.322 7.995 1.00 0.00 C ATOM 2089 O SER A 136 -5.482 -5.110 8.074 1.00 0.00 O ATOM 2090 CB SER A 136 -5.611 -7.555 5.820 1.00 0.00 C ATOM 2091 OG SER A 136 -4.918 -8.661 6.372 1.00 0.00 O ATOM 0 H SER A 136 -7.109 -5.674 5.265 1.00 0.00 H new ATOM 0 HA SER A 136 -7.189 -7.662 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.203 -7.882 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 136 -4.895 -6.821 5.449 1.00 0.00 H new ATOM 0 HG SER A 136 -4.342 -9.061 5.687 1.00 0.00 H new ATOM 2097 N THR A 137 -5.205 -7.195 8.873 1.00 0.00 N ATOM 2098 CA THR A 137 -4.391 -6.771 10.005 1.00 0.00 C ATOM 2099 C THR A 137 -3.208 -5.927 9.545 1.00 0.00 C ATOM 2100 O THR A 137 -3.027 -4.795 9.996 1.00 0.00 O ATOM 2101 CB THR A 137 -3.866 -7.979 10.805 1.00 0.00 C ATOM 2102 OG1 THR A 137 -4.960 -8.689 11.393 1.00 0.00 O ATOM 2103 CG2 THR A 137 -2.902 -7.529 11.892 1.00 0.00 C ATOM 0 H THR A 137 -5.364 -8.201 8.822 1.00 0.00 H new ATOM 0 HA THR A 137 -5.034 -6.171 10.649 1.00 0.00 H new ATOM 0 HB THR A 137 -3.333 -8.638 10.120 1.00 0.00 H new ATOM 0 HG1 THR A 137 -4.618 -9.456 11.898 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.544 -8.398 12.444 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.056 -7.014 11.437 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.414 -6.851 12.575 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.404 -6.483 8.646 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.239 -5.780 8.124 1.00 0.00 C ATOM 2113 C ALA A 138 -1.613 -4.385 7.635 1.00 0.00 C ATOM 2114 O ALA A 138 -1.147 -3.382 8.174 1.00 0.00 O ATOM 2115 CB ALA A 138 -0.599 -6.581 7.000 1.00 0.00 C ATOM 0 H ALA A 138 -2.538 -7.419 8.264 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.518 -5.671 8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 138 0.270 -6.044 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.287 -7.554 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.321 -6.719 6.195 1.00 0.00 H new ATOM 2121 N MET A 139 -2.457 -4.329 6.610 1.00 0.00 N ATOM 2122 CA MET A 139 -2.894 -3.056 6.049 1.00 0.00 C ATOM 2123 C MET A 139 -3.305 -2.087 7.154 1.00 0.00 C ATOM 2124 O MET A 139 -3.070 -0.883 7.056 1.00 0.00 O ATOM 2125 CB MET A 139 -4.063 -3.273 5.085 1.00 0.00 C ATOM 2126 CG MET A 139 -3.840 -4.416 4.109 1.00 0.00 C ATOM 2127 SD MET A 139 -2.281 -4.274 3.215 1.00 0.00 S ATOM 2128 CE MET A 139 -2.291 -2.532 2.794 1.00 0.00 C ATOM 0 H MET A 139 -2.852 -5.150 6.151 1.00 0.00 H new ATOM 0 HA MET A 139 -2.057 -2.622 5.502 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.967 -3.469 5.661 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.236 -2.355 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 139 -3.858 -5.361 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.663 -4.444 3.394 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.736 -2.378 1.869 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.319 -2.196 2.661 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.824 -1.961 3.596 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.919 -2.621 8.203 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.362 -1.805 9.328 1.00 0.00 C ATOM 2140 C LYS A 140 -3.172 -1.323 10.152 1.00 0.00 C ATOM 2141 O LYS A 140 -3.106 -0.157 10.543 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.322 -2.600 10.216 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.730 -2.696 9.656 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.702 -3.251 10.683 1.00 0.00 C ATOM 2145 CE LYS A 140 -9.138 -3.179 10.187 1.00 0.00 C ATOM 2146 NZ LYS A 140 -10.061 -3.976 11.043 1.00 0.00 N ATOM 0 H LYS A 140 -4.122 -3.616 8.299 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.883 -0.934 8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.926 -3.606 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.363 -2.134 11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.063 -1.709 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.728 -3.335 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.445 -4.286 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.609 -2.691 11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.465 -2.139 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.187 -3.545 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.030 -3.901 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.764 -4.973 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.034 -3.611 12.016 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.234 -2.226 10.411 1.00 0.00 N ATOM 2161 CA LYS A 141 -1.043 -1.893 11.186 1.00 0.00 C ATOM 2162 C LYS A 141 -0.001 -1.203 10.313 1.00 0.00 C ATOM 2163 O LYS A 141 0.999 -0.688 10.813 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.446 -3.156 11.811 1.00 0.00 C ATOM 2165 CG LYS A 141 0.451 -3.935 10.867 1.00 0.00 C ATOM 2166 CD LYS A 141 0.758 -5.323 11.406 1.00 0.00 C ATOM 2167 CE LYS A 141 1.646 -5.258 12.639 1.00 0.00 C ATOM 2168 NZ LYS A 141 3.092 -5.274 12.283 1.00 0.00 N ATOM 0 H LYS A 141 -2.274 -3.195 10.096 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.337 -1.207 11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.126 -2.878 12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -1.256 -3.803 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.031 -4.020 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 141 1.382 -3.389 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.173 -5.833 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 141 1.249 -5.914 10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.421 -4.352 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.423 -6.102 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 3.663 -5.280 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 3.303 -6.126 11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 3.321 -4.428 11.724 1.00 0.00 H new ATOM 2182 N VAL A 142 -0.241 -1.197 9.006 1.00 0.00 N ATOM 2183 CA VAL A 142 0.676 -0.568 8.063 1.00 0.00 C ATOM 2184 C VAL A 142 0.518 0.948 8.071 1.00 0.00 C ATOM 2185 O VAL A 142 1.439 1.682 7.709 1.00 0.00 O ATOM 2186 CB VAL A 142 0.453 -1.088 6.630 1.00 0.00 C ATOM 2187 CG1 VAL A 142 0.996 -0.098 5.612 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.098 -2.455 6.455 1.00 0.00 C ATOM 0 H VAL A 142 -1.063 -1.621 8.576 1.00 0.00 H new ATOM 0 HA VAL A 142 1.685 -0.828 8.383 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.619 -1.193 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.829 -0.483 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.484 0.858 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.065 0.042 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.931 -2.808 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.169 -2.379 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.656 -3.159 7.160 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.655 1.414 8.486 1.00 0.00 N ATOM 2199 CA PHE A 143 -0.934 2.844 8.542 1.00 0.00 C ATOM 2200 C PHE A 143 -0.253 3.485 9.747 1.00 0.00 C ATOM 2201 O PHE A 143 0.655 4.304 9.598 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.443 3.089 8.605 1.00 0.00 C ATOM 2203 CG PHE A 143 -2.808 4.518 8.885 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -2.642 5.492 7.914 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.316 4.889 10.120 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -2.977 6.809 8.168 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -3.653 6.204 10.379 1.00 0.00 C ATOM 2208 CZ PHE A 143 -3.482 7.165 9.402 1.00 0.00 C ATOM 0 H PHE A 143 -1.428 0.822 8.789 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.536 3.301 7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -2.892 2.787 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.874 2.454 9.379 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -2.246 5.219 6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.450 4.142 10.889 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -2.844 7.558 7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.050 6.480 11.345 1.00 0.00 H new ATOM 0 HZ PHE A 143 -3.743 8.193 9.603 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.698 3.108 10.941 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.133 3.647 12.173 1.00 0.00 C ATOM 2220 C ARG A 144 1.377 3.821 12.047 1.00 0.00 C ATOM 2221 O ARG A 144 1.969 4.687 12.692 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.454 2.726 13.352 1.00 0.00 C ATOM 2223 CG ARG A 144 0.126 1.329 13.209 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.735 0.293 13.914 1.00 0.00 C ATOM 2225 NE ARG A 144 -1.048 0.682 15.286 1.00 0.00 N ATOM 2226 CZ ARG A 144 -1.578 -0.144 16.182 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -1.852 -1.398 15.851 1.00 0.00 N ATOM 2228 NH2 ARG A 144 -1.833 0.285 17.411 1.00 0.00 N ATOM 0 H ARG A 144 -1.448 2.431 11.082 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.581 4.625 12.352 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.073 3.177 14.268 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.536 2.652 13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.210 1.075 12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.134 1.308 13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.661 0.152 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.217 -0.666 13.919 1.00 0.00 H new ATOM 0 HE ARG A 144 -0.849 1.640 15.573 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.656 -1.731 14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.259 -2.030 16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -1.622 1.249 17.669 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -2.240 -0.349 18.098 1.00 0.00 H new ATOM 2242 N VAL A 145 1.996 2.993 11.211 1.00 0.00 N ATOM 2243 CA VAL A 145 3.438 3.056 11.000 1.00 0.00 C ATOM 2244 C VAL A 145 3.811 4.229 10.100 1.00 0.00 C ATOM 2245 O VAL A 145 4.785 4.937 10.356 1.00 0.00 O ATOM 2246 CB VAL A 145 3.971 1.753 10.375 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.460 1.871 10.083 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.690 0.570 11.289 1.00 0.00 C ATOM 0 H VAL A 145 1.522 2.271 10.669 1.00 0.00 H new ATOM 0 HA VAL A 145 3.896 3.194 11.980 1.00 0.00 H new ATOM 0 HB VAL A 145 3.453 1.584 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.819 0.941 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.630 2.692 9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.999 2.064 11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.073 -0.342 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.180 0.728 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.615 0.475 11.441 1.00 0.00 H new ATOM 2258 N TYR A 146 3.030 4.428 9.044 1.00 0.00 N ATOM 2259 CA TYR A 146 3.278 5.514 8.103 1.00 0.00 C ATOM 2260 C TYR A 146 3.244 6.865 8.810 1.00 0.00 C ATOM 2261 O TYR A 146 4.193 7.644 8.729 1.00 0.00 O ATOM 2262 CB TYR A 146 2.244 5.488 6.977 1.00 0.00 C ATOM 2263 CG TYR A 146 1.926 6.855 6.415 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.909 7.620 5.798 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.643 7.383 6.502 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.624 8.870 5.284 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.349 8.631 5.989 1.00 0.00 C ATOM 2268 CZ TYR A 146 1.342 9.372 5.381 1.00 0.00 C ATOM 2269 OH TYR A 146 1.053 10.616 4.870 1.00 0.00 O ATOM 0 H TYR A 146 2.220 3.851 8.818 1.00 0.00 H new ATOM 0 HA TYR A 146 4.271 5.372 7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.611 4.850 6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.325 5.035 7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.913 7.230 5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.137 6.808 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 146 3.400 9.451 4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.654 9.025 6.063 1.00 0.00 H new ATOM 0 HH TYR A 146 0.106 10.819 5.019 1.00 0.00 H new ATOM 2279 N GLN A 147 2.141 7.135 9.503 1.00 0.00 N ATOM 2280 CA GLN A 147 1.982 8.393 10.224 1.00 0.00 C ATOM 2281 C GLN A 147 3.058 8.546 11.294 1.00 0.00 C ATOM 2282 O GLN A 147 3.620 9.627 11.473 1.00 0.00 O ATOM 2283 CB GLN A 147 0.596 8.465 10.865 1.00 0.00 C ATOM 2284 CG GLN A 147 -0.542 8.455 9.857 1.00 0.00 C ATOM 2285 CD GLN A 147 -0.606 9.728 9.036 1.00 0.00 C ATOM 2286 OE1 GLN A 147 0.303 10.558 9.084 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -1.684 9.891 8.278 1.00 0.00 N ATOM 0 H GLN A 147 1.346 6.501 9.580 1.00 0.00 H new ATOM 0 HA GLN A 147 2.087 9.209 9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.475 7.622 11.545 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.530 9.372 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -0.423 7.602 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.487 8.319 10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.413 9.178 8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -1.783 10.729 7.705 1.00 0.00 H new