USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1001 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 98 ASN : amide:sc= -0.0128 X(o=-0.013,f=0.17) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 75 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 143:sc= -0.509 (180deg=-2.19!) USER MOD Set 3.1: A 55 CYS SG : rot 58:sc= -1.37! USER MOD Set 3.2: A 84 GLN : amide:sc= -0.058 K(o=-1.4,f=-2.1) USER MOD Single : A 20 GLN : amide:sc= 0.379 K(o=0.38,f=-1) USER MOD Single : A 24 GLN :FLIP amide:sc= -4.46! C(o=-5!,f=-4.5!) USER MOD Single : A 27 THR OG1 : rot -100:sc= 1.21 USER MOD Single : A 28 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 29 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.78!) USER MOD Single : A 30 CYS SG : rot -9:sc= 0.582 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 43 ASN : amide:sc= -4.46! C(o=-4.5!,f=-6.4!) USER MOD Single : A 45 GLN : amide:sc= -3.57 K(o=-3.6,f=-5.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 59 ASN : amide:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00622 USER MOD Single : A 66 GLN : amide:sc= -8.08! C(o=-8.1!,f=-8.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.85! C(o=-2.8!,f=-4.3!) USER MOD Single : A 82 MET CE :methyl -122:sc= -0.451 (180deg=-4.91!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 95 TYR OH : rot 110:sc= -2.04 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 114 MET CE :methyl -148:sc= -1.02 (180deg=-3.28!) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.9!) USER MOD Single : A 120 THR OG1 : rot 75:sc= -0.238 USER MOD Single : A 122 MET CE :methyl -134:sc= -2.95! (180deg=-6.88!) USER MOD Single : A 123 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.045) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.211 -2.368 -7.513 1.00 0.00 N ATOM 222 CA ASP A 17 -15.728 -3.032 -6.322 1.00 0.00 C ATOM 223 C ASP A 17 -14.655 -3.126 -5.243 1.00 0.00 C ATOM 224 O ASP A 17 -14.955 -3.100 -4.048 1.00 0.00 O ATOM 225 CB ASP A 17 -16.240 -4.430 -6.673 1.00 0.00 C ATOM 226 CG ASP A 17 -15.351 -5.136 -7.679 1.00 0.00 C ATOM 227 OD1 ASP A 17 -15.176 -4.601 -8.793 1.00 0.00 O ATOM 228 OD2 ASP A 17 -14.832 -6.224 -7.352 1.00 0.00 O ATOM 0 HA ASP A 17 -16.555 -2.437 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.303 -5.029 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.250 -4.354 -7.076 1.00 0.00 H new ATOM 233 N LEU A 18 -13.402 -3.237 -5.670 1.00 0.00 N ATOM 234 CA LEU A 18 -12.282 -3.336 -4.740 1.00 0.00 C ATOM 235 C LEU A 18 -11.873 -1.957 -4.232 1.00 0.00 C ATOM 236 O LEU A 18 -11.594 -1.780 -3.046 1.00 0.00 O ATOM 237 CB LEU A 18 -11.091 -4.017 -5.416 1.00 0.00 C ATOM 238 CG LEU A 18 -11.132 -5.545 -5.468 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.017 -6.078 -6.355 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.027 -6.129 -4.067 1.00 0.00 C ATOM 0 H LEU A 18 -13.136 -3.261 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.601 -3.937 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.014 -3.641 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.182 -3.715 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.087 -5.850 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.061 -7.167 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.137 -5.686 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.053 -5.763 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.058 -7.217 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.088 -5.816 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.860 -5.773 -3.461 1.00 0.00 H new ATOM 252 N GLU A 19 -11.841 -0.984 -5.136 1.00 0.00 N ATOM 253 CA GLU A 19 -11.467 0.379 -4.778 1.00 0.00 C ATOM 254 C GLU A 19 -12.256 0.858 -3.563 1.00 0.00 C ATOM 255 O GLU A 19 -11.681 1.169 -2.520 1.00 0.00 O ATOM 256 CB GLU A 19 -11.705 1.324 -5.958 1.00 0.00 C ATOM 257 CG GLU A 19 -11.129 2.715 -5.750 1.00 0.00 C ATOM 258 CD GLU A 19 -10.812 3.416 -7.056 1.00 0.00 C ATOM 259 OE1 GLU A 19 -11.616 3.295 -8.005 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.761 4.087 -7.131 1.00 0.00 O ATOM 0 H GLU A 19 -12.069 -1.114 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.406 0.383 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.266 0.889 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.777 1.407 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.838 3.317 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.221 2.642 -5.151 1.00 0.00 H new ATOM 267 N GLN A 20 -13.576 0.915 -3.706 1.00 0.00 N ATOM 268 CA GLN A 20 -14.444 1.357 -2.621 1.00 0.00 C ATOM 269 C GLN A 20 -13.970 0.798 -1.283 1.00 0.00 C ATOM 270 O GLN A 20 -13.941 1.510 -0.278 1.00 0.00 O ATOM 271 CB GLN A 20 -15.887 0.924 -2.885 1.00 0.00 C ATOM 272 CG GLN A 20 -16.053 -0.579 -3.041 1.00 0.00 C ATOM 273 CD GLN A 20 -17.504 -0.996 -3.176 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.412 -0.175 -3.046 1.00 0.00 O ATOM 275 NE2 GLN A 20 -17.730 -2.278 -3.438 1.00 0.00 N ATOM 0 H GLN A 20 -14.068 0.661 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.401 2.445 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.516 1.267 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.246 1.416 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.500 -0.912 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.614 -1.080 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.947 -2.924 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.687 -2.617 -3.539 1.00 0.00 H new ATOM 284 N ILE A 21 -13.600 -0.478 -1.278 1.00 0.00 N ATOM 285 CA ILE A 21 -13.127 -1.130 -0.064 1.00 0.00 C ATOM 286 C ILE A 21 -11.810 -0.524 0.409 1.00 0.00 C ATOM 287 O ILE A 21 -11.637 -0.232 1.593 1.00 0.00 O ATOM 288 CB ILE A 21 -12.935 -2.644 -0.276 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.257 -3.294 -0.691 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.394 -3.292 0.990 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.147 -4.782 -0.937 1.00 0.00 C ATOM 0 H ILE A 21 -13.619 -1.080 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.891 -0.971 0.697 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.210 -2.795 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.000 -3.116 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.622 -2.810 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.264 -4.361 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.433 -2.845 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.097 -3.135 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.121 -5.176 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.428 -4.967 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.812 -5.278 -0.026 1.00 0.00 H new ATOM 303 N LEU A 22 -10.883 -0.335 -0.525 1.00 0.00 N ATOM 304 CA LEU A 22 -9.581 0.239 -0.205 1.00 0.00 C ATOM 305 C LEU A 22 -9.735 1.507 0.628 1.00 0.00 C ATOM 306 O LEU A 22 -9.151 1.628 1.706 1.00 0.00 O ATOM 307 CB LEU A 22 -8.809 0.550 -1.489 1.00 0.00 C ATOM 308 CG LEU A 22 -8.015 -0.610 -2.092 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.448 -0.221 -3.448 1.00 0.00 C ATOM 310 CD2 LEU A 22 -6.900 -1.039 -1.149 1.00 0.00 C ATOM 0 H LEU A 22 -11.009 -0.571 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.023 -0.492 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.517 0.908 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.119 1.369 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.691 -1.454 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.886 -1.059 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.264 0.037 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.787 0.638 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.345 -1.865 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.226 -0.200 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.329 -1.360 -0.200 1.00 0.00 H new ATOM 322 N ILE A 23 -10.525 2.449 0.124 1.00 0.00 N ATOM 323 CA ILE A 23 -10.758 3.706 0.824 1.00 0.00 C ATOM 324 C ILE A 23 -11.228 3.460 2.253 1.00 0.00 C ATOM 325 O ILE A 23 -10.746 4.093 3.192 1.00 0.00 O ATOM 326 CB ILE A 23 -11.801 4.572 0.094 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.363 4.830 -1.349 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.010 5.885 0.832 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.441 5.457 -2.206 1.00 0.00 C ATOM 0 H ILE A 23 -11.015 2.365 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.807 4.238 0.843 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.748 4.033 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.490 5.482 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.054 3.887 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.750 6.486 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.363 5.682 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.067 6.430 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.060 5.611 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.307 4.796 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.734 6.416 -1.779 1.00 0.00 H new ATOM 341 N GLN A 24 -12.170 2.536 2.410 1.00 0.00 N ATOM 342 CA GLN A 24 -12.704 2.206 3.726 1.00 0.00 C ATOM 343 C GLN A 24 -11.599 1.711 4.654 1.00 0.00 C ATOM 344 O GLN A 24 -11.529 2.106 5.817 1.00 0.00 O ATOM 345 CB GLN A 24 -13.798 1.144 3.604 1.00 0.00 C ATOM 346 CG GLN A 24 -15.167 1.715 3.276 1.00 0.00 C ATOM 347 CD GLN A 24 -15.400 1.852 1.784 1.00 0.00 C ATOM 348 OE1 GLN A 24 -15.803 0.761 1.145 1.00 0.00 O flip ATOM 349 NE2 GLN A 24 -15.219 2.928 1.212 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.579 2.003 1.643 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.133 3.112 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.516 0.431 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.860 0.589 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.937 1.072 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.271 2.692 3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.909 3.742 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.380 3.005 0.208 1.00 0.00 H new ATOM 358 N TRP A 25 -10.739 0.845 4.131 1.00 0.00 N ATOM 359 CA TRP A 25 -9.637 0.296 4.913 1.00 0.00 C ATOM 360 C TRP A 25 -8.567 1.353 5.163 1.00 0.00 C ATOM 361 O TRP A 25 -8.323 1.743 6.305 1.00 0.00 O ATOM 362 CB TRP A 25 -9.024 -0.908 4.194 1.00 0.00 C ATOM 363 CG TRP A 25 -7.808 -1.453 4.880 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.705 -1.830 6.188 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.523 -1.680 4.292 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.432 -2.278 6.449 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.688 -2.197 5.302 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.996 -1.499 3.010 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.357 -2.532 5.068 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.675 -1.832 2.780 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.868 -2.345 3.805 1.00 0.00 C ATOM 0 H TRP A 25 -10.783 0.508 3.169 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.033 -0.027 5.875 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.773 -1.696 4.117 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.760 -0.619 3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.506 -1.783 6.911 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.096 -2.616 7.351 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.610 -1.106 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.733 -2.926 5.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.257 -1.695 1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.840 -2.598 3.593 1.00 0.00 H new ATOM 382 N ILE A 26 -7.932 1.812 4.090 1.00 0.00 N ATOM 383 CA ILE A 26 -6.890 2.825 4.195 1.00 0.00 C ATOM 384 C ILE A 26 -7.237 3.863 5.256 1.00 0.00 C ATOM 385 O ILE A 26 -6.458 4.112 6.177 1.00 0.00 O ATOM 386 CB ILE A 26 -6.661 3.538 2.849 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.209 2.536 1.786 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.634 4.650 3.007 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.169 3.114 0.389 1.00 0.00 C ATOM 0 H ILE A 26 -8.121 1.498 3.138 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.975 2.308 4.483 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.602 3.982 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.217 2.166 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.882 1.679 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.483 5.145 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.993 5.376 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.690 4.227 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.840 2.347 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.164 3.459 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.474 3.953 0.362 1.00 0.00 H new ATOM 401 N THR A 27 -8.414 4.467 5.122 1.00 0.00 N ATOM 402 CA THR A 27 -8.866 5.479 6.069 1.00 0.00 C ATOM 403 C THR A 27 -8.980 4.903 7.476 1.00 0.00 C ATOM 404 O THR A 27 -8.698 5.584 8.462 1.00 0.00 O ATOM 405 CB THR A 27 -10.228 6.067 5.656 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.204 5.023 5.560 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.122 6.792 4.323 1.00 0.00 C ATOM 0 H THR A 27 -9.071 4.273 4.367 1.00 0.00 H new ATOM 0 HA THR A 27 -8.119 6.273 6.063 1.00 0.00 H new ATOM 0 HB THR A 27 -10.536 6.783 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.321 4.770 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.096 7.199 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.400 7.604 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.794 6.093 3.554 1.00 0.00 H new ATOM 415 N THR A 28 -9.395 3.643 7.563 1.00 0.00 N ATOM 416 CA THR A 28 -9.546 2.975 8.849 1.00 0.00 C ATOM 417 C THR A 28 -8.191 2.700 9.489 1.00 0.00 C ATOM 418 O THR A 28 -7.886 3.215 10.564 1.00 0.00 O ATOM 419 CB THR A 28 -10.313 1.647 8.706 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.665 1.902 8.309 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.301 0.871 10.015 1.00 0.00 C ATOM 0 H THR A 28 -9.633 3.065 6.757 1.00 0.00 H new ATOM 0 HA THR A 28 -10.116 3.648 9.489 1.00 0.00 H new ATOM 0 HB THR A 28 -9.818 1.048 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.671 2.351 7.438 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.849 -0.063 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.272 0.653 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.774 1.467 10.796 1.00 0.00 H new ATOM 429 N GLN A 29 -7.381 1.885 8.821 1.00 0.00 N ATOM 430 CA GLN A 29 -6.057 1.541 9.326 1.00 0.00 C ATOM 431 C GLN A 29 -5.374 2.760 9.938 1.00 0.00 C ATOM 432 O GLN A 29 -4.935 2.726 11.088 1.00 0.00 O ATOM 433 CB GLN A 29 -5.192 0.968 8.202 1.00 0.00 C ATOM 434 CG GLN A 29 -3.866 0.402 8.683 1.00 0.00 C ATOM 435 CD GLN A 29 -3.967 -1.055 9.091 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.443 -1.894 8.326 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.519 -1.363 10.302 1.00 0.00 N ATOM 0 H GLN A 29 -7.618 1.451 7.929 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.177 0.786 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.749 0.183 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.999 1.751 7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.124 0.503 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.511 0.989 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.132 -0.635 10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.562 -2.327 10.631 1.00 0.00 H new ATOM 446 N CYS A 30 -5.289 3.835 9.162 1.00 0.00 N ATOM 447 CA CYS A 30 -4.659 5.066 9.627 1.00 0.00 C ATOM 448 C CYS A 30 -5.422 5.655 10.809 1.00 0.00 C ATOM 449 O CYS A 30 -6.653 5.692 10.809 1.00 0.00 O ATOM 450 CB CYS A 30 -4.586 6.087 8.491 1.00 0.00 C ATOM 451 SG CYS A 30 -6.187 6.783 8.020 1.00 0.00 S ATOM 0 H CYS A 30 -5.648 3.879 8.208 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.648 4.826 9.955 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.922 6.899 8.789 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.137 5.612 7.618 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.137 6.131 8.622 1.00 0.00 H new ATOM 457 N ARG A 31 -4.684 6.113 11.815 1.00 0.00 N ATOM 458 CA ARG A 31 -5.292 6.698 13.004 1.00 0.00 C ATOM 459 C ARG A 31 -5.856 8.083 12.701 1.00 0.00 C ATOM 460 O ARG A 31 -7.067 8.297 12.753 1.00 0.00 O ATOM 461 CB ARG A 31 -4.266 6.789 14.135 1.00 0.00 C ATOM 462 CG ARG A 31 -4.878 7.116 15.487 1.00 0.00 C ATOM 463 CD ARG A 31 -5.361 5.862 16.198 1.00 0.00 C ATOM 464 NE ARG A 31 -6.311 5.105 15.388 1.00 0.00 N ATOM 465 CZ ARG A 31 -7.600 5.412 15.289 1.00 0.00 C ATOM 466 NH1 ARG A 31 -8.089 6.454 15.945 1.00 0.00 N ATOM 467 NH2 ARG A 31 -8.402 4.675 14.531 1.00 0.00 N ATOM 0 H ARG A 31 -3.664 6.090 11.830 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.112 6.052 13.318 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.732 5.841 14.207 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.529 7.552 13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.141 7.626 16.107 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.713 7.804 15.353 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.506 5.230 16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.830 6.139 17.142 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.967 4.297 14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.476 7.023 16.528 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.079 6.687 15.867 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.029 3.872 14.024 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.391 4.911 14.455 1.00 0.00 H new ATOM 481 N LYS A 32 -4.970 9.021 12.385 1.00 0.00 N ATOM 482 CA LYS A 32 -5.377 10.385 12.073 1.00 0.00 C ATOM 483 C LYS A 32 -6.120 10.441 10.742 1.00 0.00 C ATOM 484 O LYS A 32 -5.712 9.811 9.766 1.00 0.00 O ATOM 485 CB LYS A 32 -4.156 11.306 12.027 1.00 0.00 C ATOM 486 CG LYS A 32 -3.409 11.260 10.705 1.00 0.00 C ATOM 487 CD LYS A 32 -3.969 12.266 9.713 1.00 0.00 C ATOM 488 CE LYS A 32 -2.913 12.711 8.714 1.00 0.00 C ATOM 489 NZ LYS A 32 -3.177 14.084 8.201 1.00 0.00 N ATOM 0 H LYS A 32 -3.964 8.861 12.338 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.051 10.725 12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.476 12.330 12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.473 11.030 12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.352 11.466 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.475 10.257 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.811 11.824 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.352 13.134 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.931 12.683 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.885 12.011 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.435 14.350 7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.103 14.106 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.178 14.757 8.994 1.00 0.00 H new ATOM 503 N ASP A 33 -7.210 11.199 10.709 1.00 0.00 N ATOM 504 CA ASP A 33 -8.008 11.338 9.497 1.00 0.00 C ATOM 505 C ASP A 33 -7.223 12.065 8.410 1.00 0.00 C ATOM 506 O ASP A 33 -6.992 13.271 8.497 1.00 0.00 O ATOM 507 CB ASP A 33 -9.304 12.093 9.798 1.00 0.00 C ATOM 508 CG ASP A 33 -10.435 11.695 8.869 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.165 11.467 7.671 1.00 0.00 O ATOM 510 OD2 ASP A 33 -11.589 11.612 9.340 1.00 0.00 O ATOM 0 H ASP A 33 -7.561 11.727 11.508 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.253 10.339 9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.601 11.903 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.126 13.165 9.710 1.00 0.00 H new ATOM 515 N VAL A 34 -6.813 11.323 7.386 1.00 0.00 N ATOM 516 CA VAL A 34 -6.053 11.897 6.282 1.00 0.00 C ATOM 517 C VAL A 34 -6.957 12.696 5.350 1.00 0.00 C ATOM 518 O VAL A 34 -6.489 13.548 4.595 1.00 0.00 O ATOM 519 CB VAL A 34 -5.333 10.804 5.469 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.346 10.050 6.345 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.343 9.852 4.846 1.00 0.00 C ATOM 0 H VAL A 34 -6.994 10.323 7.298 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.310 12.562 6.721 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.775 11.282 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.847 9.282 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.604 10.745 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.878 9.582 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.817 9.086 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.930 9.379 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.006 10.408 4.183 1.00 0.00 H new ATOM 531 N GLY A 35 -8.255 12.416 5.409 1.00 0.00 N ATOM 532 CA GLY A 35 -9.205 13.118 4.565 1.00 0.00 C ATOM 533 C GLY A 35 -9.863 12.206 3.550 1.00 0.00 C ATOM 534 O GLY A 35 -9.607 12.314 2.350 1.00 0.00 O ATOM 0 H GLY A 35 -8.666 11.716 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.973 13.575 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.694 13.928 4.044 1.00 0.00 H new ATOM 538 N ARG A 36 -10.713 11.304 4.030 1.00 0.00 N ATOM 539 CA ARG A 36 -11.408 10.367 3.155 1.00 0.00 C ATOM 540 C ARG A 36 -11.942 11.076 1.914 1.00 0.00 C ATOM 541 O ARG A 36 -12.814 11.941 1.991 1.00 0.00 O ATOM 542 CB ARG A 36 -12.558 9.693 3.906 1.00 0.00 C ATOM 543 CG ARG A 36 -13.371 8.740 3.045 1.00 0.00 C ATOM 544 CD ARG A 36 -14.778 8.558 3.593 1.00 0.00 C ATOM 545 NE ARG A 36 -15.446 7.398 3.009 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.059 7.418 1.830 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.087 8.534 1.114 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.644 6.322 1.366 1.00 0.00 N ATOM 0 H ARG A 36 -10.937 11.202 5.020 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.695 9.606 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.153 9.145 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.219 10.461 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.423 9.123 2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.870 7.773 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.733 8.444 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.365 9.454 3.391 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.442 6.524 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.638 9.378 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.558 8.548 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.624 5.462 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.114 6.339 0.461 1.00 0.00 H new ATOM 562 N PRO A 37 -11.406 10.702 0.743 1.00 0.00 N ATOM 563 CA PRO A 37 -11.814 11.289 -0.537 1.00 0.00 C ATOM 564 C PRO A 37 -13.226 10.879 -0.940 1.00 0.00 C ATOM 565 O PRO A 37 -13.950 10.263 -0.157 1.00 0.00 O ATOM 566 CB PRO A 37 -10.791 10.727 -1.527 1.00 0.00 C ATOM 567 CG PRO A 37 -10.326 9.454 -0.909 1.00 0.00 C ATOM 568 CD PRO A 37 -10.362 9.677 0.577 1.00 0.00 C ATOM 0 HA PRO A 37 -11.836 12.378 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.241 10.552 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.963 11.420 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.971 8.623 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.319 9.204 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.609 8.762 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.399 10.019 0.955 1.00 0.00 H new ATOM 576 N GLN A 38 -13.611 11.223 -2.165 1.00 0.00 N ATOM 577 CA GLN A 38 -14.938 10.889 -2.670 1.00 0.00 C ATOM 578 C GLN A 38 -14.912 9.573 -3.440 1.00 0.00 C ATOM 579 O GLN A 38 -13.895 9.180 -4.013 1.00 0.00 O ATOM 580 CB GLN A 38 -15.460 12.010 -3.570 1.00 0.00 C ATOM 581 CG GLN A 38 -14.705 12.137 -4.884 1.00 0.00 C ATOM 582 CD GLN A 38 -15.350 13.126 -5.834 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.309 13.812 -5.478 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.826 13.207 -7.051 1.00 0.00 N ATOM 0 H GLN A 38 -13.024 11.732 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.607 10.776 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.514 11.833 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.397 12.956 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.680 12.449 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.652 11.160 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.031 12.620 -7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.218 13.856 -7.733 1.00 0.00 H new ATOM 593 N PRO A 39 -16.056 8.873 -3.454 1.00 0.00 N ATOM 594 CA PRO A 39 -16.190 7.590 -4.150 1.00 0.00 C ATOM 595 C PRO A 39 -16.152 7.746 -5.667 1.00 0.00 C ATOM 596 O PRO A 39 -17.191 7.858 -6.315 1.00 0.00 O ATOM 597 CB PRO A 39 -17.562 7.083 -3.699 1.00 0.00 C ATOM 598 CG PRO A 39 -18.321 8.314 -3.339 1.00 0.00 C ATOM 599 CD PRO A 39 -17.307 9.280 -2.793 1.00 0.00 C ATOM 0 HA PRO A 39 -15.371 6.911 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.060 6.529 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.474 6.409 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.826 8.730 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.090 8.096 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.568 10.312 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.229 9.210 -1.708 1.00 0.00 H new ATOM 607 N GLY A 40 -14.946 7.752 -6.226 1.00 0.00 N ATOM 608 CA GLY A 40 -14.795 7.895 -7.663 1.00 0.00 C ATOM 609 C GLY A 40 -13.512 7.272 -8.176 1.00 0.00 C ATOM 610 O GLY A 40 -13.130 6.181 -7.751 1.00 0.00 O ATOM 0 H GLY A 40 -14.071 7.660 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.646 7.431 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.811 8.953 -7.923 1.00 0.00 H new ATOM 614 N ARG A 41 -12.846 7.965 -9.094 1.00 0.00 N ATOM 615 CA ARG A 41 -11.600 7.471 -9.668 1.00 0.00 C ATOM 616 C ARG A 41 -10.545 8.573 -9.705 1.00 0.00 C ATOM 617 O ARG A 41 -9.496 8.462 -9.070 1.00 0.00 O ATOM 618 CB ARG A 41 -11.842 6.934 -11.080 1.00 0.00 C ATOM 619 CG ARG A 41 -10.599 6.349 -11.730 1.00 0.00 C ATOM 620 CD ARG A 41 -10.269 4.976 -11.166 1.00 0.00 C ATOM 621 NE ARG A 41 -9.356 4.234 -12.030 1.00 0.00 N ATOM 622 CZ ARG A 41 -8.564 3.259 -11.598 1.00 0.00 C ATOM 623 NH1 ARG A 41 -8.574 2.910 -10.319 1.00 0.00 N ATOM 624 NH2 ARG A 41 -7.760 2.630 -12.446 1.00 0.00 N ATOM 0 H ARG A 41 -13.148 8.869 -9.456 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.234 6.661 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.616 6.168 -11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.224 7.741 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.751 6.274 -12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.755 7.020 -11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.822 5.088 -10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.189 4.406 -11.037 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.324 4.478 -13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.191 3.391 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.965 2.161 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.750 2.895 -13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.152 1.882 -12.113 1.00 0.00 H new ATOM 638 N GLU A 42 -10.830 9.634 -10.452 1.00 0.00 N ATOM 639 CA GLU A 42 -9.905 10.755 -10.572 1.00 0.00 C ATOM 640 C GLU A 42 -9.414 11.205 -9.199 1.00 0.00 C ATOM 641 O GLU A 42 -8.333 11.777 -9.072 1.00 0.00 O ATOM 642 CB GLU A 42 -10.576 11.924 -11.295 1.00 0.00 C ATOM 643 CG GLU A 42 -10.830 11.664 -12.770 1.00 0.00 C ATOM 644 CD GLU A 42 -9.598 11.896 -13.624 1.00 0.00 C ATOM 645 OE1 GLU A 42 -9.356 13.059 -14.011 1.00 0.00 O ATOM 646 OE2 GLU A 42 -8.876 10.917 -13.905 1.00 0.00 O ATOM 0 H GLU A 42 -11.694 9.741 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.046 10.423 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.524 12.146 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.950 12.810 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.170 10.637 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.635 12.313 -13.116 1.00 0.00 H new ATOM 653 N ASN A 43 -10.219 10.942 -8.175 1.00 0.00 N ATOM 654 CA ASN A 43 -9.868 11.321 -6.811 1.00 0.00 C ATOM 655 C ASN A 43 -8.851 10.349 -6.221 1.00 0.00 C ATOM 656 O ASN A 43 -7.711 10.720 -5.943 1.00 0.00 O ATOM 657 CB ASN A 43 -11.121 11.361 -5.932 1.00 0.00 C ATOM 658 CG ASN A 43 -10.995 12.351 -4.791 1.00 0.00 C ATOM 659 OD1 ASN A 43 -10.317 12.087 -3.797 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.649 13.499 -4.929 1.00 0.00 N ATOM 0 H ASN A 43 -11.118 10.468 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.420 12.314 -6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.983 11.625 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.310 10.367 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.601 14.205 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.199 13.675 -5.770 1.00 0.00 H new ATOM 667 N PHE A 44 -9.272 9.102 -6.033 1.00 0.00 N ATOM 668 CA PHE A 44 -8.398 8.076 -5.476 1.00 0.00 C ATOM 669 C PHE A 44 -6.965 8.257 -5.968 1.00 0.00 C ATOM 670 O PHE A 44 -6.011 8.078 -5.211 1.00 0.00 O ATOM 671 CB PHE A 44 -8.906 6.683 -5.853 1.00 0.00 C ATOM 672 CG PHE A 44 -8.354 5.588 -4.986 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.923 5.309 -3.754 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.266 4.839 -5.403 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.417 4.302 -2.954 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.756 3.830 -4.607 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.332 3.562 -3.381 1.00 0.00 C ATOM 0 H PHE A 44 -10.213 8.778 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.407 8.177 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.994 6.672 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.646 6.479 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.771 5.885 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.811 5.045 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.870 4.094 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.908 3.252 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.935 2.775 -2.757 1.00 0.00 H new ATOM 687 N GLN A 45 -6.822 8.612 -7.241 1.00 0.00 N ATOM 688 CA GLN A 45 -5.506 8.816 -7.834 1.00 0.00 C ATOM 689 C GLN A 45 -4.779 9.975 -7.161 1.00 0.00 C ATOM 690 O GLN A 45 -3.619 9.851 -6.772 1.00 0.00 O ATOM 691 CB GLN A 45 -5.635 9.081 -9.335 1.00 0.00 C ATOM 692 CG GLN A 45 -4.300 9.149 -10.058 1.00 0.00 C ATOM 693 CD GLN A 45 -3.731 10.553 -10.103 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.102 11.012 -9.149 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.951 11.246 -11.215 1.00 0.00 N ATOM 0 H GLN A 45 -7.601 8.764 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.922 7.908 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.242 8.294 -9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.168 10.020 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.589 8.489 -9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.423 8.778 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.477 10.827 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.593 12.197 -11.302 1.00 0.00 H new ATOM 704 N ASN A 46 -5.470 11.103 -7.028 1.00 0.00 N ATOM 705 CA ASN A 46 -4.890 12.286 -6.403 1.00 0.00 C ATOM 706 C ASN A 46 -4.710 12.076 -4.903 1.00 0.00 C ATOM 707 O ASN A 46 -3.877 12.724 -4.271 1.00 0.00 O ATOM 708 CB ASN A 46 -5.775 13.508 -6.656 1.00 0.00 C ATOM 709 CG ASN A 46 -5.650 14.029 -8.075 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.608 13.880 -8.713 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.715 14.644 -8.575 1.00 0.00 N ATOM 0 H ASN A 46 -6.432 11.222 -7.345 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.910 12.458 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.815 13.247 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.506 14.299 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.690 15.016 -9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.558 14.745 -8.010 1.00 0.00 H new ATOM 718 N TRP A 47 -5.497 11.166 -4.341 1.00 0.00 N ATOM 719 CA TRP A 47 -5.425 10.870 -2.914 1.00 0.00 C ATOM 720 C TRP A 47 -4.128 10.144 -2.574 1.00 0.00 C ATOM 721 O TRP A 47 -3.446 10.489 -1.609 1.00 0.00 O ATOM 722 CB TRP A 47 -6.625 10.023 -2.487 1.00 0.00 C ATOM 723 CG TRP A 47 -6.798 9.947 -1.000 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.687 10.975 -0.108 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.113 8.780 -0.233 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.912 10.517 1.168 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.177 9.174 1.118 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.348 7.441 -0.555 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.465 8.276 2.143 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.634 6.551 0.463 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.691 6.971 1.798 1.00 0.00 C ATOM 0 H TRP A 47 -6.192 10.620 -4.851 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.444 11.815 -2.371 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.530 10.438 -2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.509 9.015 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.456 11.998 -0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.886 11.085 2.015 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.307 7.107 -1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.508 8.598 3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.817 5.514 0.225 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.918 6.251 2.570 1.00 0.00 H new ATOM 742 N LEU A 48 -3.792 9.136 -3.373 1.00 0.00 N ATOM 743 CA LEU A 48 -2.576 8.361 -3.156 1.00 0.00 C ATOM 744 C LEU A 48 -1.388 9.002 -3.866 1.00 0.00 C ATOM 745 O LEU A 48 -0.241 8.847 -3.446 1.00 0.00 O ATOM 746 CB LEU A 48 -2.767 6.926 -3.651 1.00 0.00 C ATOM 747 CG LEU A 48 -4.106 6.272 -3.310 1.00 0.00 C ATOM 748 CD1 LEU A 48 -4.157 4.850 -3.848 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.338 6.283 -1.807 1.00 0.00 C ATOM 0 H LEU A 48 -4.345 8.837 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.371 8.345 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.646 6.917 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.969 6.310 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.901 6.848 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.117 4.400 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.037 4.866 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.353 4.263 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.296 5.813 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.539 5.732 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.346 7.312 -1.448 1.00 0.00 H new ATOM 761 N LYS A 49 -1.670 9.726 -4.944 1.00 0.00 N ATOM 762 CA LYS A 49 -0.626 10.395 -5.712 1.00 0.00 C ATOM 763 C LYS A 49 0.317 11.165 -4.793 1.00 0.00 C ATOM 764 O LYS A 49 1.537 11.040 -4.895 1.00 0.00 O ATOM 765 CB LYS A 49 -1.248 11.347 -6.736 1.00 0.00 C ATOM 766 CG LYS A 49 -0.302 12.438 -7.206 1.00 0.00 C ATOM 767 CD LYS A 49 -0.406 13.679 -6.335 1.00 0.00 C ATOM 768 CE LYS A 49 0.101 14.915 -7.064 1.00 0.00 C ATOM 769 NZ LYS A 49 -0.922 15.469 -7.994 1.00 0.00 N ATOM 0 H LYS A 49 -2.614 9.865 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.051 9.632 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.582 10.771 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.133 11.809 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.722 12.065 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.530 12.698 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.444 13.830 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.169 13.533 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.381 15.677 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.002 14.663 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.538 16.310 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.171 14.751 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.772 15.734 -7.457 1.00 0.00 H new ATOM 783 N ASP A 50 -0.257 11.959 -3.896 1.00 0.00 N ATOM 784 CA ASP A 50 0.532 12.747 -2.957 1.00 0.00 C ATOM 785 C ASP A 50 1.501 11.860 -2.182 1.00 0.00 C ATOM 786 O ASP A 50 2.600 12.285 -1.827 1.00 0.00 O ATOM 787 CB ASP A 50 -0.385 13.491 -1.985 1.00 0.00 C ATOM 788 CG ASP A 50 0.373 14.463 -1.102 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.462 14.096 -0.614 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.124 15.591 -0.898 1.00 0.00 O ATOM 0 H ASP A 50 -1.266 12.074 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 50 1.110 13.474 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.144 14.033 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.909 12.769 -1.359 1.00 0.00 H new ATOM 795 N GLY A 51 1.086 10.623 -1.923 1.00 0.00 N ATOM 796 CA GLY A 51 1.929 9.696 -1.191 1.00 0.00 C ATOM 797 C GLY A 51 1.638 9.698 0.296 1.00 0.00 C ATOM 798 O GLY A 51 1.657 8.649 0.942 1.00 0.00 O ATOM 0 H GLY A 51 0.181 10.247 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.785 8.690 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.975 9.955 -1.354 1.00 0.00 H new ATOM 802 N THR A 52 1.368 10.879 0.844 1.00 0.00 N ATOM 803 CA THR A 52 1.075 11.014 2.265 1.00 0.00 C ATOM 804 C THR A 52 0.202 9.865 2.757 1.00 0.00 C ATOM 805 O THR A 52 0.583 9.128 3.667 1.00 0.00 O ATOM 806 CB THR A 52 0.367 12.348 2.568 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.660 12.589 1.600 1.00 0.00 O ATOM 808 CG2 THR A 52 1.359 13.501 2.560 1.00 0.00 C ATOM 0 H THR A 52 1.346 11.756 0.324 1.00 0.00 H new ATOM 0 HA THR A 52 2.031 10.991 2.789 1.00 0.00 H new ATOM 0 HB THR A 52 -0.079 12.280 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.106 13.438 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.836 14.433 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.123 13.329 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.830 13.569 1.579 1.00 0.00 H new ATOM 816 N VAL A 53 -0.971 9.716 2.150 1.00 0.00 N ATOM 817 CA VAL A 53 -1.897 8.655 2.526 1.00 0.00 C ATOM 818 C VAL A 53 -1.207 7.296 2.522 1.00 0.00 C ATOM 819 O VAL A 53 -1.323 6.525 3.475 1.00 0.00 O ATOM 820 CB VAL A 53 -3.110 8.606 1.577 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.981 7.398 1.886 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.914 9.893 1.675 1.00 0.00 C ATOM 0 H VAL A 53 -1.302 10.317 1.395 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.243 8.880 3.535 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.746 8.509 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.833 7.380 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.397 6.486 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.339 7.461 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.767 9.842 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.269 10.023 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.283 10.738 1.400 1.00 0.00 H new ATOM 832 N LEU A 54 -0.488 7.007 1.443 1.00 0.00 N ATOM 833 CA LEU A 54 0.223 5.740 1.313 1.00 0.00 C ATOM 834 C LEU A 54 1.202 5.544 2.467 1.00 0.00 C ATOM 835 O LEU A 54 1.485 4.415 2.869 1.00 0.00 O ATOM 836 CB LEU A 54 0.972 5.686 -0.020 1.00 0.00 C ATOM 837 CG LEU A 54 0.109 5.488 -1.266 1.00 0.00 C ATOM 838 CD1 LEU A 54 0.843 5.973 -2.506 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.284 4.025 -1.415 1.00 0.00 C ATOM 0 H LEU A 54 -0.382 7.633 0.645 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.512 4.935 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.535 6.612 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.699 4.875 0.027 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.800 6.079 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.213 5.824 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.074 7.033 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.769 5.410 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.898 3.902 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.614 3.414 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.850 3.709 -0.539 1.00 0.00 H new ATOM 851 N CYS A 55 1.712 6.650 2.997 1.00 0.00 N ATOM 852 CA CYS A 55 2.658 6.600 4.106 1.00 0.00 C ATOM 853 C CYS A 55 1.952 6.231 5.406 1.00 0.00 C ATOM 854 O CYS A 55 2.382 5.326 6.121 1.00 0.00 O ATOM 855 CB CYS A 55 3.366 7.947 4.260 1.00 0.00 C ATOM 856 SG CYS A 55 4.226 8.505 2.771 1.00 0.00 S ATOM 0 H CYS A 55 1.487 7.592 2.677 1.00 0.00 H new ATOM 0 HA CYS A 55 3.399 5.831 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.632 8.700 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.085 7.876 5.076 1.00 0.00 H new ATOM 0 HG CYS A 55 3.380 8.592 1.788 1.00 0.00 H new ATOM 862 N GLU A 56 0.868 6.940 5.707 1.00 0.00 N ATOM 863 CA GLU A 56 0.105 6.687 6.924 1.00 0.00 C ATOM 864 C GLU A 56 -0.339 5.229 6.994 1.00 0.00 C ATOM 865 O GLU A 56 -0.548 4.683 8.079 1.00 0.00 O ATOM 866 CB GLU A 56 -1.116 7.607 6.986 1.00 0.00 C ATOM 867 CG GLU A 56 -0.835 8.948 7.643 1.00 0.00 C ATOM 868 CD GLU A 56 -0.673 8.838 9.147 1.00 0.00 C ATOM 869 OE1 GLU A 56 -1.656 8.469 9.823 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.436 9.121 9.647 1.00 0.00 O ATOM 0 H GLU A 56 0.499 7.693 5.126 1.00 0.00 H new ATOM 0 HA GLU A 56 0.751 6.893 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.484 7.778 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.912 7.103 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.071 9.376 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.650 9.636 7.418 1.00 0.00 H new ATOM 877 N LEU A 57 -0.482 4.603 5.831 1.00 0.00 N ATOM 878 CA LEU A 57 -0.901 3.208 5.760 1.00 0.00 C ATOM 879 C LEU A 57 0.192 2.283 6.285 1.00 0.00 C ATOM 880 O LEU A 57 0.057 1.694 7.358 1.00 0.00 O ATOM 881 CB LEU A 57 -1.253 2.834 4.319 1.00 0.00 C ATOM 882 CG LEU A 57 -1.576 1.360 4.067 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.891 0.982 4.730 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.627 1.073 2.574 1.00 0.00 C ATOM 0 H LEU A 57 -0.314 5.039 4.925 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.785 3.087 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.111 3.431 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.419 3.117 3.677 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.784 0.753 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.105 -0.070 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.818 1.149 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.694 1.595 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.858 0.020 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.399 1.688 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.661 1.305 2.126 1.00 0.00 H new ATOM 896 N ILE A 58 1.273 2.161 5.523 1.00 0.00 N ATOM 897 CA ILE A 58 2.391 1.311 5.914 1.00 0.00 C ATOM 898 C ILE A 58 2.865 1.640 7.325 1.00 0.00 C ATOM 899 O ILE A 58 3.265 0.754 8.079 1.00 0.00 O ATOM 900 CB ILE A 58 3.575 1.454 4.940 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.695 0.482 5.317 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.089 2.886 4.938 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.505 -0.907 4.748 1.00 0.00 C ATOM 0 H ILE A 58 1.399 2.640 4.631 1.00 0.00 H new ATOM 0 HA ILE A 58 2.030 0.283 5.885 1.00 0.00 H new ATOM 0 HB ILE A 58 3.230 1.210 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.646 0.883 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.758 0.416 6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.926 2.971 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.290 3.559 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.420 3.155 5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.335 -1.543 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.570 -1.327 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.473 -0.853 3.660 1.00 0.00 H new ATOM 915 N ASN A 59 2.815 2.921 7.677 1.00 0.00 N ATOM 916 CA ASN A 59 3.238 3.368 8.999 1.00 0.00 C ATOM 917 C ASN A 59 2.343 2.779 10.085 1.00 0.00 C ATOM 918 O ASN A 59 2.826 2.300 11.110 1.00 0.00 O ATOM 919 CB ASN A 59 3.215 4.896 9.076 1.00 0.00 C ATOM 920 CG ASN A 59 4.466 5.523 8.493 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.584 5.115 8.810 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.284 6.522 7.637 1.00 0.00 N ATOM 0 H ASN A 59 2.486 3.668 7.065 1.00 0.00 H new ATOM 0 HA ASN A 59 4.257 3.018 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.342 5.271 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.109 5.203 10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.089 6.984 7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.339 6.827 7.403 1.00 0.00 H new ATOM 929 N ALA A 60 1.035 2.818 9.851 1.00 0.00 N ATOM 930 CA ALA A 60 0.072 2.286 10.807 1.00 0.00 C ATOM 931 C ALA A 60 0.396 0.839 11.166 1.00 0.00 C ATOM 932 O ALA A 60 0.443 0.476 12.342 1.00 0.00 O ATOM 933 CB ALA A 60 -1.339 2.390 10.249 1.00 0.00 C ATOM 0 H ALA A 60 0.618 3.212 9.008 1.00 0.00 H new ATOM 0 HA ALA A 60 0.135 2.882 11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.047 1.989 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.576 3.435 10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.407 1.820 9.322 1.00 0.00 H new ATOM 939 N LEU A 61 0.618 0.018 10.146 1.00 0.00 N ATOM 940 CA LEU A 61 0.937 -1.390 10.353 1.00 0.00 C ATOM 941 C LEU A 61 2.171 -1.545 11.236 1.00 0.00 C ATOM 942 O LEU A 61 2.087 -2.057 12.353 1.00 0.00 O ATOM 943 CB LEU A 61 1.167 -2.085 9.010 1.00 0.00 C ATOM 944 CG LEU A 61 0.012 -2.012 8.010 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.512 -2.267 6.597 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.077 -3.009 8.380 1.00 0.00 C ATOM 0 H LEU A 61 0.583 0.303 9.167 1.00 0.00 H new ATOM 0 HA LEU A 61 0.091 -1.858 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.052 -1.650 8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.391 -3.135 9.200 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.413 -1.009 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.324 -2.211 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.256 -1.515 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.963 -3.258 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.891 -2.943 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.665 -4.018 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.456 -2.781 9.376 1.00 0.00 H new ATOM 958 N TYR A 62 3.314 -1.097 10.730 1.00 0.00 N ATOM 959 CA TYR A 62 4.566 -1.186 11.473 1.00 0.00 C ATOM 960 C TYR A 62 4.452 -0.475 12.818 1.00 0.00 C ATOM 961 O TYR A 62 3.804 0.563 12.948 1.00 0.00 O ATOM 962 CB TYR A 62 5.710 -0.581 10.658 1.00 0.00 C ATOM 963 CG TYR A 62 6.247 -1.506 9.589 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.731 -2.767 9.913 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.272 -1.118 8.255 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.223 -3.615 8.940 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.760 -1.960 7.275 1.00 0.00 C ATOM 968 CZ TYR A 62 7.236 -3.207 7.622 1.00 0.00 C ATOM 969 OH TYR A 62 7.725 -4.048 6.649 1.00 0.00 O ATOM 0 H TYR A 62 3.400 -0.668 9.808 1.00 0.00 H new ATOM 0 HA TYR A 62 4.777 -2.239 11.656 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.363 0.340 10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.522 -0.309 11.333 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.722 -3.090 10.944 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.903 -0.141 7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.596 -4.592 9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.769 -1.644 6.242 1.00 0.00 H new ATOM 0 HH TYR A 62 7.662 -3.609 5.775 1.00 0.00 H new ATOM 979 N PRO A 63 5.100 -1.047 13.844 1.00 0.00 N ATOM 980 CA PRO A 63 5.089 -0.485 15.198 1.00 0.00 C ATOM 981 C PRO A 63 5.882 0.814 15.294 1.00 0.00 C ATOM 982 O PRO A 63 6.348 1.342 14.284 1.00 0.00 O ATOM 983 CB PRO A 63 5.750 -1.579 16.041 1.00 0.00 C ATOM 984 CG PRO A 63 6.610 -2.328 15.083 1.00 0.00 C ATOM 985 CD PRO A 63 5.892 -2.285 13.762 1.00 0.00 C ATOM 0 HA PRO A 63 4.081 -0.227 15.524 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.340 -1.152 16.852 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.005 -2.231 16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.597 -1.872 15.006 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.759 -3.356 15.413 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.591 -2.260 12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.257 -3.160 13.621 1.00 0.00 H new ATOM 993 N GLU A 64 6.033 1.322 16.513 1.00 0.00 N ATOM 994 CA GLU A 64 6.770 2.560 16.738 1.00 0.00 C ATOM 995 C GLU A 64 8.243 2.388 16.378 1.00 0.00 C ATOM 996 O GLU A 64 8.924 1.510 16.906 1.00 0.00 O ATOM 997 CB GLU A 64 6.638 2.999 18.198 1.00 0.00 C ATOM 998 CG GLU A 64 5.219 3.365 18.597 1.00 0.00 C ATOM 999 CD GLU A 64 4.784 4.708 18.043 1.00 0.00 C ATOM 1000 OE1 GLU A 64 5.205 5.744 18.599 1.00 0.00 O ATOM 1001 OE2 GLU A 64 4.023 4.723 17.053 1.00 0.00 O ATOM 0 H GLU A 64 5.655 0.896 17.359 1.00 0.00 H new ATOM 0 HA GLU A 64 6.344 3.330 16.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.992 2.195 18.844 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.288 3.857 18.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.536 2.592 18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.145 3.384 19.684 1.00 0.00 H new ATOM 1008 N GLY A 65 8.728 3.235 15.474 1.00 0.00 N ATOM 1009 CA GLY A 65 10.116 3.160 15.058 1.00 0.00 C ATOM 1010 C GLY A 65 10.306 2.306 13.820 1.00 0.00 C ATOM 1011 O GLY A 65 11.108 2.636 12.948 1.00 0.00 O ATOM 0 H GLY A 65 8.184 3.971 15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.488 4.166 14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.714 2.752 15.872 1.00 0.00 H new ATOM 1015 N GLN A 66 9.566 1.204 13.745 1.00 0.00 N ATOM 1016 CA GLN A 66 9.659 0.298 12.606 1.00 0.00 C ATOM 1017 C GLN A 66 9.203 0.988 11.324 1.00 0.00 C ATOM 1018 O GLN A 66 9.695 0.686 10.237 1.00 0.00 O ATOM 1019 CB GLN A 66 8.817 -0.954 12.853 1.00 0.00 C ATOM 1020 CG GLN A 66 9.556 -2.045 13.611 1.00 0.00 C ATOM 1021 CD GLN A 66 8.808 -3.363 13.614 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.268 -3.786 12.591 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.772 -4.021 14.767 1.00 0.00 N ATOM 0 H GLN A 66 8.896 0.917 14.459 1.00 0.00 H new ATOM 0 HA GLN A 66 10.703 0.007 12.489 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.923 -0.676 13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.483 -1.352 11.895 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.539 -2.191 13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.718 -1.722 14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.233 -3.633 15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.283 -4.914 14.830 1.00 0.00 H new ATOM 1032 N ALA A 67 8.260 1.914 11.460 1.00 0.00 N ATOM 1033 CA ALA A 67 7.739 2.647 10.313 1.00 0.00 C ATOM 1034 C ALA A 67 8.870 3.250 9.487 1.00 0.00 C ATOM 1035 O ALA A 67 9.668 4.051 9.974 1.00 0.00 O ATOM 1036 CB ALA A 67 6.781 3.736 10.773 1.00 0.00 C ATOM 0 H ALA A 67 7.841 2.174 12.353 1.00 0.00 H new ATOM 0 HA ALA A 67 7.197 1.944 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.400 4.275 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.949 3.284 11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.307 4.430 11.429 1.00 0.00 H new ATOM 1042 N PRO A 68 8.943 2.858 8.206 1.00 0.00 N ATOM 1043 CA PRO A 68 9.973 3.347 7.285 1.00 0.00 C ATOM 1044 C PRO A 68 9.778 4.816 6.926 1.00 0.00 C ATOM 1045 O PRO A 68 10.734 5.515 6.588 1.00 0.00 O ATOM 1046 CB PRO A 68 9.790 2.465 6.048 1.00 0.00 C ATOM 1047 CG PRO A 68 8.367 2.029 6.100 1.00 0.00 C ATOM 1048 CD PRO A 68 8.025 1.906 7.559 1.00 0.00 C ATOM 0 HA PRO A 68 10.970 3.291 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.001 3.018 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.467 1.611 6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.719 2.753 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.231 1.078 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.982 2.160 7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.177 0.890 7.923 1.00 0.00 H new ATOM 1056 N VAL A 69 8.535 5.280 7.002 1.00 0.00 N ATOM 1057 CA VAL A 69 8.215 6.667 6.687 1.00 0.00 C ATOM 1058 C VAL A 69 7.734 7.415 7.924 1.00 0.00 C ATOM 1059 O VAL A 69 6.532 7.563 8.146 1.00 0.00 O ATOM 1060 CB VAL A 69 7.136 6.759 5.592 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.742 8.208 5.351 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.624 6.110 4.306 1.00 0.00 C ATOM 0 H VAL A 69 7.732 4.715 7.279 1.00 0.00 H new ATOM 0 HA VAL A 69 9.133 7.128 6.322 1.00 0.00 H new ATOM 0 HB VAL A 69 6.252 6.219 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.979 8.253 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.347 8.636 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.617 8.775 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.848 6.185 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.523 6.620 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.851 5.060 4.492 1.00 0.00 H new ATOM 1072 N LYS A 70 8.680 7.887 8.729 1.00 0.00 N ATOM 1073 CA LYS A 70 8.354 8.623 9.945 1.00 0.00 C ATOM 1074 C LYS A 70 7.697 9.959 9.613 1.00 0.00 C ATOM 1075 O LYS A 70 6.606 10.263 10.096 1.00 0.00 O ATOM 1076 CB LYS A 70 9.617 8.857 10.778 1.00 0.00 C ATOM 1077 CG LYS A 70 9.989 7.680 11.662 1.00 0.00 C ATOM 1078 CD LYS A 70 9.288 7.750 13.008 1.00 0.00 C ATOM 1079 CE LYS A 70 7.831 7.326 12.901 1.00 0.00 C ATOM 1080 NZ LYS A 70 7.261 6.961 14.227 1.00 0.00 N ATOM 0 H LYS A 70 9.680 7.773 8.561 1.00 0.00 H new ATOM 0 HA LYS A 70 7.650 8.025 10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.449 9.075 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.472 9.738 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.724 6.749 11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.068 7.664 11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.803 7.107 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.344 8.767 13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.248 8.137 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.749 6.476 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.267 6.678 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.802 6.170 14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.316 7.780 14.866 1.00 0.00 H new ATOM 1094 N LYS A 71 8.366 10.753 8.784 1.00 0.00 N ATOM 1095 CA LYS A 71 7.846 12.055 8.385 1.00 0.00 C ATOM 1096 C LYS A 71 6.760 11.905 7.324 1.00 0.00 C ATOM 1097 O LYS A 71 6.954 11.228 6.315 1.00 0.00 O ATOM 1098 CB LYS A 71 8.977 12.936 7.850 1.00 0.00 C ATOM 1099 CG LYS A 71 8.528 13.926 6.789 1.00 0.00 C ATOM 1100 CD LYS A 71 9.454 15.128 6.719 1.00 0.00 C ATOM 1101 CE LYS A 71 10.771 14.778 6.043 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.662 14.821 4.559 1.00 0.00 N ATOM 0 H LYS A 71 9.270 10.517 8.375 1.00 0.00 H new ATOM 0 HA LYS A 71 7.408 12.529 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.423 13.484 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.757 12.298 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.499 13.431 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.514 14.260 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.965 15.934 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.648 15.499 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.543 15.474 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.086 13.782 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.580 14.577 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.943 14.139 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.386 15.778 4.259 1.00 0.00 H new ATOM 1116 N ILE A 72 5.618 12.542 7.560 1.00 0.00 N ATOM 1117 CA ILE A 72 4.503 12.481 6.623 1.00 0.00 C ATOM 1118 C ILE A 72 3.901 13.864 6.394 1.00 0.00 C ATOM 1119 O ILE A 72 3.036 14.307 7.148 1.00 0.00 O ATOM 1120 CB ILE A 72 3.399 11.530 7.123 1.00 0.00 C ATOM 1121 CG1 ILE A 72 3.988 10.155 7.446 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.294 11.409 6.085 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.072 9.286 8.279 1.00 0.00 C ATOM 0 H ILE A 72 5.441 13.106 8.391 1.00 0.00 H new ATOM 0 HA ILE A 72 4.901 12.100 5.683 1.00 0.00 H new ATOM 0 HB ILE A 72 2.969 11.943 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.217 9.639 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.931 10.288 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.522 10.734 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.859 12.391 5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.708 11.015 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.554 8.327 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.863 9.782 9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.138 9.122 7.742 1.00 0.00 H new ATOM 1135 N GLN A 73 4.365 14.538 5.347 1.00 0.00 N ATOM 1136 CA GLN A 73 3.871 15.870 5.018 1.00 0.00 C ATOM 1137 C GLN A 73 3.420 15.939 3.562 1.00 0.00 C ATOM 1138 O GLN A 73 3.987 15.276 2.694 1.00 0.00 O ATOM 1139 CB GLN A 73 4.956 16.917 5.278 1.00 0.00 C ATOM 1140 CG GLN A 73 4.420 18.337 5.374 1.00 0.00 C ATOM 1141 CD GLN A 73 3.893 18.669 6.756 1.00 0.00 C ATOM 1142 OE1 GLN A 73 4.613 18.564 7.750 1.00 0.00 O ATOM 1143 NE2 GLN A 73 2.629 19.073 6.827 1.00 0.00 N ATOM 0 H GLN A 73 5.081 14.184 4.713 1.00 0.00 H new ATOM 0 HA GLN A 73 3.012 16.080 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.474 16.669 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.695 16.869 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.212 19.039 5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.622 18.470 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.068 19.146 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.219 19.310 7.730 1.00 0.00 H new ATOM 1152 N ALA A 74 2.396 16.745 3.303 1.00 0.00 N ATOM 1153 CA ALA A 74 1.869 16.902 1.953 1.00 0.00 C ATOM 1154 C ALA A 74 2.507 18.095 1.250 1.00 0.00 C ATOM 1155 O ALA A 74 1.957 19.197 1.254 1.00 0.00 O ATOM 1156 CB ALA A 74 0.356 17.056 1.991 1.00 0.00 C ATOM 0 H ALA A 74 1.915 17.300 4.011 1.00 0.00 H new ATOM 0 HA ALA A 74 2.117 16.005 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.023 17.172 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.089 16.171 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.094 17.936 2.579 1.00 0.00 H new ATOM 1162 N SER A 75 3.670 17.870 0.649 1.00 0.00 N ATOM 1163 CA SER A 75 4.385 18.928 -0.055 1.00 0.00 C ATOM 1164 C SER A 75 3.857 19.088 -1.477 1.00 0.00 C ATOM 1165 O SER A 75 4.006 18.194 -2.312 1.00 0.00 O ATOM 1166 CB SER A 75 5.885 18.626 -0.086 1.00 0.00 C ATOM 1167 OG SER A 75 6.469 18.813 1.192 1.00 0.00 O ATOM 0 H SER A 75 4.138 16.964 0.635 1.00 0.00 H new ATOM 0 HA SER A 75 4.221 19.862 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.046 17.600 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.375 19.275 -0.812 1.00 0.00 H new ATOM 0 HG SER A 75 7.347 19.237 1.092 1.00 0.00 H new ATOM 1173 N THR A 76 3.239 20.233 -1.747 1.00 0.00 N ATOM 1174 CA THR A 76 2.687 20.511 -3.067 1.00 0.00 C ATOM 1175 C THR A 76 3.703 20.208 -4.163 1.00 0.00 C ATOM 1176 O THR A 76 3.335 19.896 -5.295 1.00 0.00 O ATOM 1177 CB THR A 76 2.238 21.979 -3.191 1.00 0.00 C ATOM 1178 OG1 THR A 76 1.208 22.259 -2.236 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.729 22.273 -4.594 1.00 0.00 C ATOM 0 H THR A 76 3.108 20.983 -1.069 1.00 0.00 H new ATOM 0 HA THR A 76 1.820 19.862 -3.189 1.00 0.00 H new ATOM 0 HB THR A 76 3.099 22.617 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.929 23.195 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.418 23.316 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.524 22.087 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.880 21.627 -4.816 1.00 0.00 H new ATOM 1187 N MET A 77 4.983 20.301 -3.818 1.00 0.00 N ATOM 1188 CA MET A 77 6.053 20.035 -4.773 1.00 0.00 C ATOM 1189 C MET A 77 5.818 18.714 -5.498 1.00 0.00 C ATOM 1190 O MET A 77 5.691 17.664 -4.868 1.00 0.00 O ATOM 1191 CB MET A 77 7.406 20.006 -4.061 1.00 0.00 C ATOM 1192 CG MET A 77 7.988 21.387 -3.805 1.00 0.00 C ATOM 1193 SD MET A 77 9.382 21.352 -2.661 1.00 0.00 S ATOM 1194 CE MET A 77 9.277 22.993 -1.951 1.00 0.00 C ATOM 0 H MET A 77 5.305 20.558 -2.885 1.00 0.00 H new ATOM 0 HA MET A 77 6.056 20.838 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.296 19.485 -3.110 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.110 19.429 -4.660 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.310 21.822 -4.751 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.210 22.036 -3.404 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.076 23.126 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.379 23.738 -2.740 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.312 23.115 -1.459 1.00 0.00 H new ATOM 1204 N ALA A 78 5.761 18.773 -6.824 1.00 0.00 N ATOM 1205 CA ALA A 78 5.543 17.580 -7.634 1.00 0.00 C ATOM 1206 C ALA A 78 6.576 16.505 -7.315 1.00 0.00 C ATOM 1207 O ALA A 78 6.225 15.375 -6.973 1.00 0.00 O ATOM 1208 CB ALA A 78 5.584 17.932 -9.113 1.00 0.00 C ATOM 0 H ALA A 78 5.863 19.634 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 78 4.557 17.182 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.420 17.032 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.804 18.660 -9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.557 18.356 -9.359 1.00 0.00 H new ATOM 1214 N PHE A 79 7.851 16.862 -7.431 1.00 0.00 N ATOM 1215 CA PHE A 79 8.935 15.926 -7.157 1.00 0.00 C ATOM 1216 C PHE A 79 8.799 15.331 -5.759 1.00 0.00 C ATOM 1217 O PHE A 79 8.962 14.126 -5.566 1.00 0.00 O ATOM 1218 CB PHE A 79 10.288 16.626 -7.296 1.00 0.00 C ATOM 1219 CG PHE A 79 10.298 18.027 -6.753 1.00 0.00 C ATOM 1220 CD1 PHE A 79 9.910 19.094 -7.548 1.00 0.00 C ATOM 1221 CD2 PHE A 79 10.693 18.276 -5.449 1.00 0.00 C ATOM 1222 CE1 PHE A 79 9.919 20.384 -7.051 1.00 0.00 C ATOM 1223 CE2 PHE A 79 10.703 19.564 -4.947 1.00 0.00 C ATOM 1224 CZ PHE A 79 10.314 20.619 -5.749 1.00 0.00 C ATOM 0 H PHE A 79 8.159 17.793 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 79 8.876 15.117 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.046 16.039 -6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.568 16.651 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.597 18.916 -8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.997 17.454 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.617 21.208 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.015 19.745 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.319 21.626 -5.358 1.00 0.00 H new ATOM 1234 N LYS A 80 8.499 16.184 -4.785 1.00 0.00 N ATOM 1235 CA LYS A 80 8.340 15.745 -3.404 1.00 0.00 C ATOM 1236 C LYS A 80 7.297 14.636 -3.303 1.00 0.00 C ATOM 1237 O LYS A 80 7.571 13.562 -2.768 1.00 0.00 O ATOM 1238 CB LYS A 80 7.936 16.923 -2.516 1.00 0.00 C ATOM 1239 CG LYS A 80 9.066 17.902 -2.252 1.00 0.00 C ATOM 1240 CD LYS A 80 10.104 17.316 -1.310 1.00 0.00 C ATOM 1241 CE LYS A 80 9.687 17.470 0.144 1.00 0.00 C ATOM 1242 NZ LYS A 80 8.798 16.361 0.587 1.00 0.00 N ATOM 0 H LYS A 80 8.361 17.185 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 80 9.297 15.352 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.109 17.454 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.569 16.540 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.541 18.173 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.661 18.819 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.249 16.260 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.062 17.811 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.575 17.498 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.173 18.422 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.019 16.111 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.805 16.664 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.947 15.532 -0.023 1.00 0.00 H new ATOM 1256 N GLN A 81 6.103 14.904 -3.820 1.00 0.00 N ATOM 1257 CA GLN A 81 5.020 13.928 -3.788 1.00 0.00 C ATOM 1258 C GLN A 81 5.464 12.603 -4.398 1.00 0.00 C ATOM 1259 O GLN A 81 5.435 11.564 -3.739 1.00 0.00 O ATOM 1260 CB GLN A 81 3.799 14.465 -4.536 1.00 0.00 C ATOM 1261 CG GLN A 81 3.225 15.736 -3.932 1.00 0.00 C ATOM 1262 CD GLN A 81 2.106 16.326 -4.768 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.297 16.652 -5.940 1.00 0.00 O ATOM 1264 NE2 GLN A 81 0.930 16.467 -4.168 1.00 0.00 N ATOM 0 H GLN A 81 5.861 15.789 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 81 4.751 13.755 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.075 14.658 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.025 13.698 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.851 15.521 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.020 16.474 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.817 16.183 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.140 16.859 -4.680 1.00 0.00 H new ATOM 1273 N MET A 82 5.873 12.646 -5.662 1.00 0.00 N ATOM 1274 CA MET A 82 6.324 11.448 -6.361 1.00 0.00 C ATOM 1275 C MET A 82 7.183 10.578 -5.449 1.00 0.00 C ATOM 1276 O MET A 82 6.796 9.466 -5.093 1.00 0.00 O ATOM 1277 CB MET A 82 7.113 11.830 -7.614 1.00 0.00 C ATOM 1278 CG MET A 82 6.249 11.976 -8.856 1.00 0.00 C ATOM 1279 SD MET A 82 7.217 12.308 -10.341 1.00 0.00 S ATOM 1280 CE MET A 82 7.182 14.098 -10.375 1.00 0.00 C ATOM 0 H MET A 82 5.901 13.497 -6.223 1.00 0.00 H new ATOM 0 HA MET A 82 5.444 10.876 -6.656 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.635 12.769 -7.432 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.875 11.073 -7.798 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.670 11.064 -9.001 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.535 12.785 -8.704 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.747 14.436 -11.316 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.580 14.466 -9.544 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.198 14.484 -10.286 1.00 0.00 H new ATOM 1290 N GLU A 83 8.351 11.092 -5.076 1.00 0.00 N ATOM 1291 CA GLU A 83 9.264 10.360 -4.207 1.00 0.00 C ATOM 1292 C GLU A 83 8.526 9.785 -3.002 1.00 0.00 C ATOM 1293 O GLU A 83 8.808 8.671 -2.562 1.00 0.00 O ATOM 1294 CB GLU A 83 10.398 11.274 -3.735 1.00 0.00 C ATOM 1295 CG GLU A 83 11.245 10.671 -2.628 1.00 0.00 C ATOM 1296 CD GLU A 83 12.435 11.538 -2.266 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.404 11.576 -3.053 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.398 12.179 -1.195 1.00 0.00 O ATOM 0 H GLU A 83 8.687 12.012 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 83 9.686 9.535 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.040 11.511 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.973 12.215 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.627 10.521 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.598 9.688 -2.940 1.00 0.00 H new ATOM 1305 N GLN A 84 7.579 10.554 -2.473 1.00 0.00 N ATOM 1306 CA GLN A 84 6.801 10.122 -1.319 1.00 0.00 C ATOM 1307 C GLN A 84 6.157 8.762 -1.574 1.00 0.00 C ATOM 1308 O GLN A 84 6.068 7.928 -0.672 1.00 0.00 O ATOM 1309 CB GLN A 84 5.722 11.155 -0.988 1.00 0.00 C ATOM 1310 CG GLN A 84 5.337 11.183 0.482 1.00 0.00 C ATOM 1311 CD GLN A 84 6.184 12.146 1.290 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.486 13.252 0.841 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.572 11.730 2.490 1.00 0.00 N ATOM 0 H GLN A 84 7.333 11.479 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 84 7.479 10.030 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.075 12.144 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.834 10.944 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.288 11.464 0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.436 10.181 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.298 10.805 2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.144 12.335 3.079 1.00 0.00 H new ATOM 1322 N ILE A 85 5.711 8.547 -2.806 1.00 0.00 N ATOM 1323 CA ILE A 85 5.077 7.288 -3.179 1.00 0.00 C ATOM 1324 C ILE A 85 6.040 6.117 -3.014 1.00 0.00 C ATOM 1325 O ILE A 85 5.704 5.106 -2.397 1.00 0.00 O ATOM 1326 CB ILE A 85 4.572 7.321 -4.634 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.476 8.378 -4.792 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.057 5.951 -5.047 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.869 8.416 -6.177 1.00 0.00 C ATOM 0 H ILE A 85 5.776 9.227 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 85 4.227 7.153 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 85 5.404 7.586 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.688 8.185 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.892 9.358 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.704 5.991 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.862 5.220 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.236 5.659 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.100 9.188 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.645 8.640 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.423 7.448 -6.406 1.00 0.00 H new ATOM 1341 N SER A 86 7.239 6.262 -3.568 1.00 0.00 N ATOM 1342 CA SER A 86 8.251 5.215 -3.484 1.00 0.00 C ATOM 1343 C SER A 86 8.540 4.854 -2.030 1.00 0.00 C ATOM 1344 O SER A 86 8.559 3.680 -1.664 1.00 0.00 O ATOM 1345 CB SER A 86 9.540 5.666 -4.175 1.00 0.00 C ATOM 1346 OG SER A 86 10.536 4.661 -4.101 1.00 0.00 O ATOM 0 H SER A 86 7.534 7.094 -4.080 1.00 0.00 H new ATOM 0 HA SER A 86 7.866 4.330 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.334 5.902 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.906 6.580 -3.708 1.00 0.00 H new ATOM 0 HG SER A 86 11.349 4.972 -4.551 1.00 0.00 H new ATOM 1352 N GLN A 87 8.765 5.874 -1.208 1.00 0.00 N ATOM 1353 CA GLN A 87 9.054 5.664 0.206 1.00 0.00 C ATOM 1354 C GLN A 87 8.196 4.539 0.776 1.00 0.00 C ATOM 1355 O GLN A 87 8.644 3.776 1.632 1.00 0.00 O ATOM 1356 CB GLN A 87 8.814 6.953 0.994 1.00 0.00 C ATOM 1357 CG GLN A 87 9.722 8.099 0.578 1.00 0.00 C ATOM 1358 CD GLN A 87 9.995 9.069 1.711 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.439 8.673 2.789 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.730 10.348 1.472 1.00 0.00 N ATOM 0 H GLN A 87 8.753 6.852 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 87 10.102 5.379 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.776 7.259 0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.959 6.752 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.667 7.695 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.265 8.636 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.363 10.632 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.894 11.047 2.197 1.00 0.00 H new ATOM 1369 N PHE A 88 6.961 4.442 0.296 1.00 0.00 N ATOM 1370 CA PHE A 88 6.040 3.410 0.758 1.00 0.00 C ATOM 1371 C PHE A 88 6.319 2.081 0.064 1.00 0.00 C ATOM 1372 O PHE A 88 6.394 1.034 0.709 1.00 0.00 O ATOM 1373 CB PHE A 88 4.593 3.837 0.504 1.00 0.00 C ATOM 1374 CG PHE A 88 3.636 2.684 0.405 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.587 1.720 1.399 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.786 2.564 -0.683 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.708 0.657 1.310 1.00 0.00 C ATOM 1378 CE2 PHE A 88 1.904 1.503 -0.777 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.865 0.549 0.221 1.00 0.00 C ATOM 0 H PHE A 88 6.575 5.065 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 88 6.190 3.278 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.271 4.498 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.550 4.415 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.243 1.800 2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.813 3.307 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.680 -0.088 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.246 1.420 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.177 -0.280 0.150 1.00 0.00 H new ATOM 1389 N LEU A 89 6.472 2.129 -1.255 1.00 0.00 N ATOM 1390 CA LEU A 89 6.742 0.929 -2.039 1.00 0.00 C ATOM 1391 C LEU A 89 8.014 0.239 -1.556 1.00 0.00 C ATOM 1392 O LEU A 89 7.998 -0.942 -1.211 1.00 0.00 O ATOM 1393 CB LEU A 89 6.871 1.283 -3.521 1.00 0.00 C ATOM 1394 CG LEU A 89 5.672 1.996 -4.148 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.042 2.569 -5.507 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.491 1.045 -4.271 1.00 0.00 C ATOM 0 H LEU A 89 6.414 2.987 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 89 5.906 0.242 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.751 1.914 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.054 0.365 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 89 5.382 2.820 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.176 3.072 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.857 3.284 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.358 1.762 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.647 1.569 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.769 0.200 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.210 0.684 -3.282 1.00 0.00 H new ATOM 1408 N GLN A 90 9.114 0.985 -1.534 1.00 0.00 N ATOM 1409 CA GLN A 90 10.394 0.445 -1.093 1.00 0.00 C ATOM 1410 C GLN A 90 10.208 -0.496 0.093 1.00 0.00 C ATOM 1411 O GLN A 90 10.986 -1.430 0.284 1.00 0.00 O ATOM 1412 CB GLN A 90 11.347 1.580 -0.714 1.00 0.00 C ATOM 1413 CG GLN A 90 11.792 2.422 -1.898 1.00 0.00 C ATOM 1414 CD GLN A 90 12.470 1.601 -2.977 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.605 1.151 -2.809 1.00 0.00 O ATOM 1416 NE2 GLN A 90 11.778 1.400 -4.092 1.00 0.00 N ATOM 0 H GLN A 90 9.144 1.965 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 90 10.825 -0.121 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.858 2.225 0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.227 1.158 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.926 2.930 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.477 3.196 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.841 1.791 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.183 0.854 -4.852 1.00 0.00 H new ATOM 1425 N ALA A 91 9.173 -0.243 0.886 1.00 0.00 N ATOM 1426 CA ALA A 91 8.883 -1.068 2.052 1.00 0.00 C ATOM 1427 C ALA A 91 7.858 -2.147 1.721 1.00 0.00 C ATOM 1428 O ALA A 91 7.977 -3.288 2.166 1.00 0.00 O ATOM 1429 CB ALA A 91 8.389 -0.203 3.202 1.00 0.00 C ATOM 0 H ALA A 91 8.520 0.528 0.742 1.00 0.00 H new ATOM 0 HA ALA A 91 9.806 -1.562 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.176 -0.833 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.156 0.526 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.480 0.318 2.901 1.00 0.00 H new ATOM 1435 N ALA A 92 6.850 -1.778 0.937 1.00 0.00 N ATOM 1436 CA ALA A 92 5.805 -2.715 0.545 1.00 0.00 C ATOM 1437 C ALA A 92 6.382 -4.100 0.273 1.00 0.00 C ATOM 1438 O ALA A 92 5.867 -5.103 0.764 1.00 0.00 O ATOM 1439 CB ALA A 92 5.066 -2.199 -0.682 1.00 0.00 C ATOM 0 H ALA A 92 6.735 -0.837 0.561 1.00 0.00 H new ATOM 0 HA ALA A 92 5.100 -2.800 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.288 -2.909 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.612 -1.235 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.768 -2.084 -1.508 1.00 0.00 H new ATOM 1445 N GLU A 93 7.454 -4.145 -0.513 1.00 0.00 N ATOM 1446 CA GLU A 93 8.099 -5.409 -0.850 1.00 0.00 C ATOM 1447 C GLU A 93 8.836 -5.983 0.356 1.00 0.00 C ATOM 1448 O GLU A 93 8.743 -7.176 0.643 1.00 0.00 O ATOM 1449 CB GLU A 93 9.075 -5.213 -2.012 1.00 0.00 C ATOM 1450 CG GLU A 93 10.183 -6.253 -2.058 1.00 0.00 C ATOM 1451 CD GLU A 93 11.239 -6.027 -0.993 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.550 -4.852 -0.707 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.753 -7.024 -0.446 1.00 0.00 O ATOM 0 H GLU A 93 7.893 -3.323 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 93 7.324 -6.115 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.521 -5.243 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.522 -4.222 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.750 -7.245 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.654 -6.234 -3.041 1.00 0.00 H new ATOM 1460 N ARG A 94 9.568 -5.124 1.059 1.00 0.00 N ATOM 1461 CA ARG A 94 10.322 -5.545 2.233 1.00 0.00 C ATOM 1462 C ARG A 94 9.401 -6.172 3.275 1.00 0.00 C ATOM 1463 O ARG A 94 9.857 -6.863 4.187 1.00 0.00 O ATOM 1464 CB ARG A 94 11.064 -4.354 2.843 1.00 0.00 C ATOM 1465 CG ARG A 94 12.434 -4.112 2.232 1.00 0.00 C ATOM 1466 CD ARG A 94 13.087 -2.864 2.806 1.00 0.00 C ATOM 1467 NE ARG A 94 14.420 -2.640 2.252 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.514 -3.244 2.704 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.433 -4.103 3.710 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.691 -2.988 2.148 1.00 0.00 N ATOM 0 H ARG A 94 9.654 -4.133 0.835 1.00 0.00 H new ATOM 0 HA ARG A 94 11.048 -6.294 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.457 -3.457 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.177 -4.518 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.073 -4.976 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.339 -4.010 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.458 -1.998 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.156 -2.957 3.890 1.00 0.00 H new ATOM 0 HE ARG A 94 14.516 -1.985 1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.529 -4.302 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.274 -4.565 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.756 -2.327 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.531 -3.452 2.495 1.00 0.00 H new ATOM 1484 N TYR A 95 8.103 -5.927 3.134 1.00 0.00 N ATOM 1485 CA TYR A 95 7.117 -6.465 4.064 1.00 0.00 C ATOM 1486 C TYR A 95 6.695 -7.873 3.656 1.00 0.00 C ATOM 1487 O TYR A 95 6.459 -8.732 4.504 1.00 0.00 O ATOM 1488 CB TYR A 95 5.892 -5.551 4.126 1.00 0.00 C ATOM 1489 CG TYR A 95 4.628 -6.262 4.555 1.00 0.00 C ATOM 1490 CD1 TYR A 95 3.867 -6.979 3.639 1.00 0.00 C ATOM 1491 CD2 TYR A 95 4.194 -6.216 5.874 1.00 0.00 C ATOM 1492 CE1 TYR A 95 2.711 -7.629 4.026 1.00 0.00 C ATOM 1493 CE2 TYR A 95 3.041 -6.864 6.269 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.302 -7.570 5.342 1.00 0.00 C ATOM 1495 OH TYR A 95 1.152 -8.216 5.732 1.00 0.00 O ATOM 0 H TYR A 95 7.709 -5.359 2.384 1.00 0.00 H new ATOM 0 HA TYR A 95 7.575 -6.515 5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.093 -4.734 4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.732 -5.104 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.185 -7.029 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.769 -5.664 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.130 -8.181 3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.719 -6.819 7.299 1.00 0.00 H new ATOM 0 HH TYR A 95 1.383 -8.984 6.295 1.00 0.00 H new ATOM 1505 N GLY A 96 6.604 -8.102 2.350 1.00 0.00 N ATOM 1506 CA GLY A 96 6.212 -9.407 1.851 1.00 0.00 C ATOM 1507 C GLY A 96 5.738 -9.359 0.411 1.00 0.00 C ATOM 1508 O GLY A 96 5.978 -10.289 -0.359 1.00 0.00 O ATOM 0 H GLY A 96 6.795 -7.407 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.057 -10.091 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.417 -9.809 2.479 1.00 0.00 H new ATOM 1512 N ILE A 97 5.063 -8.273 0.048 1.00 0.00 N ATOM 1513 CA ILE A 97 4.554 -8.109 -1.308 1.00 0.00 C ATOM 1514 C ILE A 97 5.650 -8.353 -2.339 1.00 0.00 C ATOM 1515 O ILE A 97 6.838 -8.305 -2.021 1.00 0.00 O ATOM 1516 CB ILE A 97 3.968 -6.701 -1.522 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.968 -6.367 -0.412 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.303 -6.606 -2.887 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.183 -5.099 -0.668 1.00 0.00 C ATOM 0 H ILE A 97 4.856 -7.494 0.674 1.00 0.00 H new ATOM 0 HA ILE A 97 3.763 -8.847 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 97 4.781 -5.976 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.273 -7.199 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.504 -6.268 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.894 -5.605 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.039 -6.806 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.499 -7.339 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.494 -4.924 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.870 -4.257 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.619 -5.201 -1.595 1.00 0.00 H new ATOM 1531 N ASN A 98 5.243 -8.613 -3.577 1.00 0.00 N ATOM 1532 CA ASN A 98 6.190 -8.863 -4.657 1.00 0.00 C ATOM 1533 C ASN A 98 6.134 -7.750 -5.699 1.00 0.00 C ATOM 1534 O ASN A 98 5.071 -7.440 -6.237 1.00 0.00 O ATOM 1535 CB ASN A 98 5.897 -10.211 -5.319 1.00 0.00 C ATOM 1536 CG ASN A 98 7.139 -10.846 -5.914 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.164 -10.976 -5.245 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.053 -11.243 -7.178 1.00 0.00 N ATOM 0 H ASN A 98 4.263 -8.656 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 98 7.192 -8.886 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.464 -10.888 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.152 -10.073 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.857 -11.676 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.183 -11.115 -7.695 1.00 0.00 H new ATOM 1545 N THR A 99 7.288 -7.152 -5.981 1.00 0.00 N ATOM 1546 CA THR A 99 7.371 -6.073 -6.958 1.00 0.00 C ATOM 1547 C THR A 99 6.391 -6.293 -8.104 1.00 0.00 C ATOM 1548 O THR A 99 5.669 -5.378 -8.503 1.00 0.00 O ATOM 1549 CB THR A 99 8.794 -5.944 -7.531 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.140 -7.129 -8.256 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.806 -5.709 -6.420 1.00 0.00 C ATOM 0 H THR A 99 8.178 -7.397 -5.547 1.00 0.00 H new ATOM 0 HA THR A 99 7.113 -5.152 -6.436 1.00 0.00 H new ATOM 0 HB THR A 99 8.814 -5.088 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.046 -7.038 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.804 -5.621 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.557 -4.790 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.783 -6.547 -5.724 1.00 0.00 H new ATOM 1559 N THR A 100 6.369 -7.513 -8.633 1.00 0.00 N ATOM 1560 CA THR A 100 5.478 -7.853 -9.734 1.00 0.00 C ATOM 1561 C THR A 100 4.131 -7.153 -9.588 1.00 0.00 C ATOM 1562 O THR A 100 3.622 -6.561 -10.540 1.00 0.00 O ATOM 1563 CB THR A 100 5.247 -9.373 -9.821 1.00 0.00 C ATOM 1564 OG1 THR A 100 6.495 -10.049 -10.009 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.303 -9.713 -10.965 1.00 0.00 C ATOM 0 H THR A 100 6.959 -8.282 -8.316 1.00 0.00 H new ATOM 0 HA THR A 100 5.963 -7.514 -10.649 1.00 0.00 H new ATOM 0 HB THR A 100 4.793 -9.703 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.339 -11.015 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.155 -10.792 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.344 -9.221 -10.803 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.733 -9.369 -11.906 1.00 0.00 H new ATOM 1573 N ASP A 101 3.559 -7.225 -8.391 1.00 0.00 N ATOM 1574 CA ASP A 101 2.272 -6.596 -8.120 1.00 0.00 C ATOM 1575 C ASP A 101 2.439 -5.101 -7.871 1.00 0.00 C ATOM 1576 O ASP A 101 1.685 -4.285 -8.403 1.00 0.00 O ATOM 1577 CB ASP A 101 1.603 -7.255 -6.913 1.00 0.00 C ATOM 1578 CG ASP A 101 1.102 -8.653 -7.220 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.243 -8.793 -8.115 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.570 -9.607 -6.565 1.00 0.00 O ATOM 0 H ASP A 101 3.966 -7.713 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 101 1.638 -6.731 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.313 -7.300 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.768 -6.637 -6.582 1.00 0.00 H new ATOM 1585 N ILE A 102 3.430 -4.748 -7.059 1.00 0.00 N ATOM 1586 CA ILE A 102 3.696 -3.351 -6.740 1.00 0.00 C ATOM 1587 C ILE A 102 3.564 -2.470 -7.978 1.00 0.00 C ATOM 1588 O ILE A 102 3.933 -2.871 -9.082 1.00 0.00 O ATOM 1589 CB ILE A 102 5.103 -3.168 -6.142 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.249 -3.997 -4.864 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.371 -1.697 -5.859 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.377 -3.533 -3.969 1.00 0.00 C ATOM 0 H ILE A 102 4.062 -5.411 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 102 2.954 -3.049 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 102 5.838 -3.518 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.313 -3.958 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.415 -5.040 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.369 -1.584 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.303 -1.130 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.633 -1.322 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.422 -4.166 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.321 -3.599 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.202 -2.500 -3.669 1.00 0.00 H new ATOM 1604 N PHE A 103 3.035 -1.266 -7.787 1.00 0.00 N ATOM 1605 CA PHE A 103 2.855 -0.326 -8.887 1.00 0.00 C ATOM 1606 C PHE A 103 4.012 0.666 -8.950 1.00 0.00 C ATOM 1607 O PHE A 103 4.765 0.818 -7.989 1.00 0.00 O ATOM 1608 CB PHE A 103 1.532 0.426 -8.732 1.00 0.00 C ATOM 1609 CG PHE A 103 1.524 1.396 -7.586 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.386 0.948 -6.282 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.655 2.757 -7.812 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.379 1.839 -5.226 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.649 3.653 -6.759 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.511 3.193 -5.464 1.00 0.00 C ATOM 0 H PHE A 103 2.723 -0.918 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 103 2.836 -0.894 -9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.320 0.965 -9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.727 -0.296 -8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.283 -0.110 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.763 3.122 -8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.270 1.477 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.752 4.711 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.506 3.890 -4.639 1.00 0.00 H new ATOM 1624 N GLN A 104 4.147 1.338 -10.089 1.00 0.00 N ATOM 1625 CA GLN A 104 5.213 2.314 -10.279 1.00 0.00 C ATOM 1626 C GLN A 104 4.896 3.615 -9.548 1.00 0.00 C ATOM 1627 O GLN A 104 3.873 3.726 -8.871 1.00 0.00 O ATOM 1628 CB GLN A 104 5.422 2.591 -11.769 1.00 0.00 C ATOM 1629 CG GLN A 104 6.344 1.592 -12.449 1.00 0.00 C ATOM 1630 CD GLN A 104 6.138 1.537 -13.950 1.00 0.00 C ATOM 1631 OE1 GLN A 104 5.478 0.634 -14.465 1.00 0.00 O ATOM 1632 NE2 GLN A 104 6.703 2.505 -14.662 1.00 0.00 N ATOM 0 H GLN A 104 3.531 1.224 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 104 6.130 1.898 -9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.455 2.581 -12.271 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.833 3.593 -11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.380 1.857 -12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.176 0.602 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.242 3.234 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.598 2.520 -15.677 1.00 0.00 H new ATOM 1641 N THR A 105 5.780 4.598 -9.688 1.00 0.00 N ATOM 1642 CA THR A 105 5.595 5.890 -9.041 1.00 0.00 C ATOM 1643 C THR A 105 4.709 6.804 -9.879 1.00 0.00 C ATOM 1644 O THR A 105 3.749 7.388 -9.376 1.00 0.00 O ATOM 1645 CB THR A 105 6.944 6.591 -8.790 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.794 5.749 -8.003 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.739 7.920 -8.078 1.00 0.00 C ATOM 0 H THR A 105 6.632 4.523 -10.244 1.00 0.00 H new ATOM 0 HA THR A 105 5.110 5.697 -8.084 1.00 0.00 H new ATOM 0 HB THR A 105 7.414 6.782 -9.755 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.650 6.201 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.705 8.396 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.115 8.569 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.250 7.748 -7.119 1.00 0.00 H new ATOM 1655 N VAL A 106 5.037 6.924 -11.162 1.00 0.00 N ATOM 1656 CA VAL A 106 4.269 7.766 -12.072 1.00 0.00 C ATOM 1657 C VAL A 106 2.902 7.157 -12.363 1.00 0.00 C ATOM 1658 O VAL A 106 1.901 7.868 -12.453 1.00 0.00 O ATOM 1659 CB VAL A 106 5.016 7.983 -13.401 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.420 6.649 -14.010 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.158 8.782 -14.370 1.00 0.00 C ATOM 0 H VAL A 106 5.829 6.449 -11.594 1.00 0.00 H new ATOM 0 HA VAL A 106 4.137 8.728 -11.577 1.00 0.00 H new ATOM 0 HB VAL A 106 5.923 8.553 -13.199 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.947 6.822 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.074 6.117 -13.319 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.529 6.051 -14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.702 8.926 -15.304 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.233 8.241 -14.568 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.924 9.753 -13.933 1.00 0.00 H new ATOM 1671 N ASP A 107 2.868 5.837 -12.508 1.00 0.00 N ATOM 1672 CA ASP A 107 1.623 5.131 -12.788 1.00 0.00 C ATOM 1673 C ASP A 107 0.461 5.753 -12.019 1.00 0.00 C ATOM 1674 O ASP A 107 -0.595 6.034 -12.589 1.00 0.00 O ATOM 1675 CB ASP A 107 1.758 3.652 -12.423 1.00 0.00 C ATOM 1676 CG ASP A 107 2.307 2.821 -13.566 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.532 3.387 -14.657 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.514 1.606 -13.370 1.00 0.00 O ATOM 0 H ASP A 107 3.688 5.234 -12.436 1.00 0.00 H new ATOM 0 HA ASP A 107 1.417 5.217 -13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.414 3.553 -11.558 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.783 3.263 -12.130 1.00 0.00 H new ATOM 1683 N LEU A 108 0.662 5.966 -10.724 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.370 6.554 -9.876 1.00 0.00 C ATOM 1685 C LEU A 108 -0.294 8.077 -9.904 1.00 0.00 C ATOM 1686 O LEU A 108 -1.318 8.760 -9.865 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.224 6.052 -8.439 1.00 0.00 C ATOM 1688 CG LEU A 108 -1.125 6.720 -7.399 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.579 6.334 -7.626 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.685 6.345 -5.992 1.00 0.00 C ATOM 0 H LEU A 108 1.530 5.741 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.342 6.249 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.423 4.980 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.813 6.187 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.036 7.801 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.205 6.818 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.889 6.654 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.685 5.252 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.337 6.829 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.744 5.264 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.342 6.673 -5.832 1.00 0.00 H new ATOM 1702 N TRP A 109 0.923 8.603 -9.975 1.00 0.00 N ATOM 1703 CA TRP A 109 1.132 10.046 -10.011 1.00 0.00 C ATOM 1704 C TRP A 109 0.466 10.662 -11.236 1.00 0.00 C ATOM 1705 O TRP A 109 -0.488 11.429 -11.115 1.00 0.00 O ATOM 1706 CB TRP A 109 2.628 10.366 -10.013 1.00 0.00 C ATOM 1707 CG TRP A 109 2.941 11.745 -9.517 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.902 12.178 -8.222 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.338 12.870 -10.307 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.252 13.506 -8.160 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.525 13.953 -9.426 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.557 13.068 -11.673 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 3.918 15.214 -9.869 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 3.946 14.320 -12.111 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.125 15.379 -11.211 1.00 0.00 C ATOM 0 H TRP A 109 1.781 8.052 -10.009 1.00 0.00 H new ATOM 0 HA TRP A 109 0.677 10.476 -9.119 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.149 9.637 -9.392 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.015 10.256 -11.026 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.636 11.567 -7.372 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.301 14.067 -7.310 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.425 12.257 -12.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.054 16.032 -9.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.115 14.485 -13.165 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.433 16.345 -11.584 1.00 0.00 H new ATOM 1726 N GLU A 110 0.976 10.320 -12.416 1.00 0.00 N ATOM 1727 CA GLU A 110 0.429 10.841 -13.663 1.00 0.00 C ATOM 1728 C GLU A 110 -0.994 10.336 -13.887 1.00 0.00 C ATOM 1729 O GLU A 110 -1.701 10.812 -14.774 1.00 0.00 O ATOM 1730 CB GLU A 110 1.316 10.438 -14.843 1.00 0.00 C ATOM 1731 CG GLU A 110 2.420 11.438 -15.144 1.00 0.00 C ATOM 1732 CD GLU A 110 1.979 12.518 -16.113 1.00 0.00 C ATOM 1733 OE1 GLU A 110 0.814 12.958 -16.022 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.801 12.924 -16.962 1.00 0.00 O ATOM 0 H GLU A 110 1.766 9.685 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 110 0.403 11.928 -13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.764 9.467 -14.635 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.694 10.318 -15.730 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.749 11.902 -14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.279 10.911 -15.559 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.406 9.368 -13.074 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.742 8.813 -13.199 1.00 0.00 C ATOM 1743 C GLY A 111 -2.998 8.223 -14.572 1.00 0.00 C ATOM 1744 O GLY A 111 -4.100 8.336 -15.109 1.00 0.00 O ATOM 0 H GLY A 111 -0.839 8.958 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.884 8.041 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.477 9.593 -12.999 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.978 7.591 -15.142 1.00 0.00 N ATOM 1749 CA LYS A 112 -2.096 6.981 -16.461 1.00 0.00 C ATOM 1750 C LYS A 112 -2.281 5.471 -16.347 1.00 0.00 C ATOM 1751 O LYS A 112 -3.078 4.877 -17.072 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.856 7.291 -17.303 1.00 0.00 C ATOM 1753 CG LYS A 112 0.452 6.984 -16.594 1.00 0.00 C ATOM 1754 CD LYS A 112 1.649 7.284 -17.480 1.00 0.00 C ATOM 1755 CE LYS A 112 2.864 6.464 -17.073 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.894 6.426 -18.147 1.00 0.00 N ATOM 0 H LYS A 112 -1.059 7.488 -14.711 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.974 7.402 -16.951 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.902 6.716 -18.228 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.870 8.345 -17.582 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.518 7.573 -15.679 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.470 5.935 -16.299 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.396 7.071 -18.519 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.889 8.346 -17.422 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.300 6.886 -16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.552 5.447 -16.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.705 5.858 -17.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.487 6.000 -19.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.211 7.394 -18.358 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.541 4.856 -15.430 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.625 3.415 -15.221 1.00 0.00 C ATOM 1772 C ASN A 113 -1.777 3.089 -13.738 1.00 0.00 C ATOM 1773 O ASN A 113 -0.961 2.368 -13.164 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.380 2.724 -15.781 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.660 1.301 -16.226 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.147 0.481 -15.447 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -0.352 1.003 -17.482 1.00 0.00 N ATOM 0 H ASN A 113 -0.877 5.333 -14.820 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.505 3.047 -15.748 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.002 3.298 -16.626 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.401 2.717 -15.021 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.517 0.062 -17.838 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.050 1.715 -18.091 1.00 0.00 H new ATOM 1784 N MET A 114 -2.826 3.625 -13.124 1.00 0.00 N ATOM 1785 CA MET A 114 -3.086 3.390 -11.709 1.00 0.00 C ATOM 1786 C MET A 114 -3.843 2.081 -11.505 1.00 0.00 C ATOM 1787 O MET A 114 -4.591 1.930 -10.540 1.00 0.00 O ATOM 1788 CB MET A 114 -3.884 4.552 -11.114 1.00 0.00 C ATOM 1789 CG MET A 114 -5.307 4.645 -11.641 1.00 0.00 C ATOM 1790 SD MET A 114 -6.423 5.467 -10.488 1.00 0.00 S ATOM 1791 CE MET A 114 -6.095 4.547 -8.986 1.00 0.00 C ATOM 0 H MET A 114 -3.510 4.225 -13.584 1.00 0.00 H new ATOM 0 HA MET A 114 -2.127 3.318 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.913 4.444 -10.030 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.364 5.486 -11.328 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.305 5.186 -12.587 1.00 0.00 H new ATOM 0 HG3 MET A 114 -5.680 3.642 -11.848 1.00 0.00 H new ATOM 0 HE1 MET A 114 -7.002 4.498 -8.384 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.774 3.537 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.309 5.045 -8.418 1.00 0.00 H new ATOM 1801 N ALA A 115 -3.644 1.139 -12.421 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.307 -0.157 -12.341 1.00 0.00 C ATOM 1803 C ALA A 115 -3.513 -1.126 -11.472 1.00 0.00 C ATOM 1804 O ALA A 115 -4.059 -2.102 -10.956 1.00 0.00 O ATOM 1805 CB ALA A 115 -4.507 -0.735 -13.734 1.00 0.00 C ATOM 0 H ALA A 115 -3.029 1.249 -13.227 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.283 -0.011 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.003 -1.703 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.123 -0.057 -14.324 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.539 -0.860 -14.218 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.222 -0.853 -11.316 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.352 -1.703 -10.511 1.00 0.00 C ATOM 1813 C CYS A 116 -1.480 -1.363 -9.030 1.00 0.00 C ATOM 1814 O CYS A 116 -1.560 -2.252 -8.182 1.00 0.00 O ATOM 1815 CB CYS A 116 0.102 -1.549 -10.959 1.00 0.00 C ATOM 1816 SG CYS A 116 0.377 -1.910 -12.709 1.00 0.00 S ATOM 0 H CYS A 116 -1.755 -0.050 -11.736 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.661 -2.738 -10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.428 -0.529 -10.754 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.728 -2.211 -10.360 1.00 0.00 H new ATOM 0 HG CYS A 116 1.636 -1.750 -12.993 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.496 -0.069 -8.724 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.613 0.389 -7.345 1.00 0.00 C ATOM 1824 C VAL A 117 -2.836 -0.217 -6.666 1.00 0.00 C ATOM 1825 O VAL A 117 -2.806 -0.532 -5.477 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.705 1.925 -7.269 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.560 2.465 -8.406 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.260 2.359 -5.921 1.00 0.00 C ATOM 0 H VAL A 117 -1.429 0.680 -9.413 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.713 0.060 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.702 2.338 -7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.614 3.551 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.115 2.184 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.564 2.047 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.318 3.447 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.256 1.938 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.604 2.004 -5.126 1.00 0.00 H new ATOM 1838 N GLN A 118 -3.912 -0.377 -7.431 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.146 -0.946 -6.903 1.00 0.00 C ATOM 1840 C GLN A 118 -4.895 -2.322 -6.295 1.00 0.00 C ATOM 1841 O GLN A 118 -5.159 -2.547 -5.113 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.199 -1.048 -8.007 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.145 -2.226 -7.840 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.071 -2.067 -6.650 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.089 -2.903 -5.746 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.847 -0.989 -6.644 1.00 0.00 N ATOM 0 H GLN A 118 -3.954 -0.121 -8.417 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.515 -0.284 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.780 -0.126 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -5.696 -1.131 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.740 -2.340 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.563 -3.140 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.799 -0.322 -7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.491 -0.828 -5.869 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.384 -3.239 -7.109 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.100 -4.594 -6.652 1.00 0.00 C ATOM 1857 C ARG A 119 -2.931 -4.602 -5.671 1.00 0.00 C ATOM 1858 O ARG A 119 -2.862 -5.445 -4.776 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.786 -5.502 -7.842 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.384 -6.912 -7.443 1.00 0.00 C ATOM 1861 CD ARG A 119 -4.601 -7.785 -7.179 1.00 0.00 C ATOM 1862 NE ARG A 119 -4.235 -9.180 -6.951 1.00 0.00 N ATOM 1863 CZ ARG A 119 -5.122 -10.159 -6.810 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -6.420 -9.897 -6.873 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -4.711 -11.404 -6.606 1.00 0.00 N ATOM 0 H ARG A 119 -4.158 -3.068 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.986 -4.971 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.661 -5.552 -8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.981 -5.056 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.780 -7.357 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.761 -6.875 -6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.138 -7.405 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.282 -7.723 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.244 -9.416 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.740 -8.941 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.098 -10.651 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.713 -11.610 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.393 -12.155 -6.498 1.00 0.00 H new ATOM 1879 N THR A 120 -2.012 -3.657 -5.846 1.00 0.00 N ATOM 1880 CA THR A 120 -0.845 -3.556 -4.978 1.00 0.00 C ATOM 1881 C THR A 120 -1.256 -3.349 -3.525 1.00 0.00 C ATOM 1882 O THR A 120 -0.745 -4.015 -2.623 1.00 0.00 O ATOM 1883 CB THR A 120 0.077 -2.399 -5.408 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.726 -2.724 -6.643 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.121 -2.113 -4.340 1.00 0.00 C ATOM 0 H THR A 120 -2.053 -2.951 -6.581 1.00 0.00 H new ATOM 0 HA THR A 120 -0.302 -4.497 -5.069 1.00 0.00 H new ATOM 0 HB THR A 120 -0.534 -1.507 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.085 -2.645 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.760 -1.292 -4.666 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.624 -1.838 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.728 -3.003 -4.177 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.183 -2.424 -3.304 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.665 -2.130 -1.958 1.00 0.00 C ATOM 1895 C LEU A 121 -3.429 -3.317 -1.382 1.00 0.00 C ATOM 1896 O LEU A 121 -3.121 -3.795 -0.291 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.562 -0.891 -1.976 1.00 0.00 C ATOM 1898 CG LEU A 121 -2.919 0.397 -2.493 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -3.976 1.462 -2.734 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.868 0.898 -1.513 1.00 0.00 C ATOM 0 H LEU A 121 -2.616 -1.864 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.801 -1.936 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.436 -1.109 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.921 -0.712 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.429 0.180 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.500 2.371 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.692 1.103 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.496 1.677 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.421 1.815 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.335 1.098 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.094 0.140 -1.391 1.00 0.00 H new ATOM 1912 N MET A 122 -4.426 -3.789 -2.123 1.00 0.00 N ATOM 1913 CA MET A 122 -5.232 -4.923 -1.687 1.00 0.00 C ATOM 1914 C MET A 122 -4.356 -6.007 -1.068 1.00 0.00 C ATOM 1915 O MET A 122 -4.684 -6.560 -0.020 1.00 0.00 O ATOM 1916 CB MET A 122 -6.021 -5.499 -2.865 1.00 0.00 C ATOM 1917 CG MET A 122 -7.325 -4.767 -3.138 1.00 0.00 C ATOM 1918 SD MET A 122 -8.413 -4.725 -1.701 1.00 0.00 S ATOM 1919 CE MET A 122 -8.975 -6.425 -1.652 1.00 0.00 C ATOM 0 H MET A 122 -4.695 -3.404 -3.028 1.00 0.00 H new ATOM 0 HA MET A 122 -5.931 -4.569 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.400 -5.464 -3.760 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.237 -6.549 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.105 -3.747 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.842 -5.251 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.055 -6.447 -1.503 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.728 -6.917 -2.593 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.485 -6.947 -0.830 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.239 -6.305 -1.725 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.316 -7.324 -1.239 1.00 0.00 C ATOM 1931 C ASN A 123 -1.882 -7.027 0.193 1.00 0.00 C ATOM 1932 O ASN A 123 -1.894 -7.910 1.052 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.088 -7.405 -2.149 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.333 -8.263 -3.376 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.605 -9.459 -3.266 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.237 -7.654 -4.552 1.00 0.00 N ATOM 0 H ASN A 123 -2.952 -5.856 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.834 -8.283 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.804 -6.400 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.248 -7.812 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.391 -8.180 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -1.009 -6.661 -4.595 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.501 -5.780 0.443 1.00 0.00 N ATOM 1944 CA LEU A 124 -1.064 -5.365 1.772 1.00 0.00 C ATOM 1945 C LEU A 124 -2.013 -5.888 2.845 1.00 0.00 C ATOM 1946 O LEU A 124 -1.582 -6.468 3.840 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.979 -3.840 1.849 1.00 0.00 C ATOM 1948 CG LEU A 124 -0.304 -3.268 3.096 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.163 -3.665 3.140 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.449 -1.753 3.134 1.00 0.00 C ATOM 0 H LEU A 124 -1.486 -5.038 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.075 -5.787 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.440 -3.481 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.990 -3.436 1.790 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.798 -3.683 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.626 -3.248 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.245 -4.752 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.671 -3.280 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.037 -1.363 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.018 -1.320 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.506 -1.489 3.152 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.310 -5.680 2.634 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.300 -6.138 3.591 1.00 0.00 C ATOM 1964 C GLY A 125 -4.328 -7.648 3.718 1.00 0.00 C ATOM 1965 O GLY A 125 -4.184 -8.189 4.813 1.00 0.00 O ATOM 0 H GLY A 125 -3.692 -5.203 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.089 -5.698 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.285 -5.784 3.288 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.516 -8.332 2.593 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.562 -9.782 2.606 1.00 0.00 C ATOM 1971 C GLY A 126 -3.383 -10.393 3.337 1.00 0.00 C ATOM 1972 O GLY A 126 -3.546 -11.330 4.120 1.00 0.00 O ATOM 0 H GLY A 126 -4.637 -7.908 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.488 -10.109 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.581 -10.151 1.581 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.192 -9.863 3.082 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.979 -10.363 3.721 1.00 0.00 C ATOM 1978 C LEU A 127 -1.022 -10.129 5.228 1.00 0.00 C ATOM 1979 O LEU A 127 -0.763 -11.039 6.015 1.00 0.00 O ATOM 1980 CB LEU A 127 0.254 -9.684 3.122 1.00 0.00 C ATOM 1981 CG LEU A 127 0.695 -10.186 1.747 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.419 -9.086 0.985 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.584 -11.413 1.887 1.00 0.00 C ATOM 0 H LEU A 127 -2.040 -9.087 2.437 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.918 -11.436 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.056 -8.615 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.085 -9.808 3.816 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.193 -10.468 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.726 -9.461 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.751 -8.235 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.299 -8.773 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.888 -11.757 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.468 -11.157 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.033 -12.206 2.393 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.352 -8.903 5.622 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.433 -8.551 7.034 1.00 0.00 C ATOM 1997 C ALA A 128 -2.312 -9.537 7.796 1.00 0.00 C ATOM 1998 O ALA A 128 -1.941 -10.014 8.869 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.963 -7.134 7.194 1.00 0.00 C ATOM 0 H ALA A 128 -1.567 -8.138 4.983 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.429 -8.601 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.019 -6.884 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.294 -6.436 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.957 -7.065 6.752 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.479 -9.838 7.236 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.411 -10.767 7.863 1.00 0.00 C ATOM 2007 C VAL A 129 -3.803 -12.160 7.979 1.00 0.00 C ATOM 2008 O VAL A 129 -4.353 -13.035 8.647 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.729 -10.859 7.073 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.662 -11.880 7.706 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.397 -9.494 6.991 1.00 0.00 C ATOM 0 H VAL A 129 -3.802 -9.452 6.349 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.620 -10.380 8.860 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.502 -11.189 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.588 -11.931 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.183 -12.859 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.885 -11.583 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.327 -9.577 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.612 -9.133 7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.731 -8.793 6.488 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.663 -12.359 7.325 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.979 -13.645 7.356 1.00 0.00 C ATOM 2023 C ALA A 130 -0.745 -13.588 8.250 1.00 0.00 C ATOM 2024 O ALA A 130 0.182 -14.385 8.097 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.593 -14.073 5.948 1.00 0.00 C ATOM 0 H ALA A 130 -2.194 -11.645 6.767 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.665 -14.383 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.083 -15.035 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.491 -14.163 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.929 -13.328 5.510 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.738 -12.642 9.183 1.00 0.00 N ATOM 2032 CA ARG A 131 0.383 -12.480 10.100 1.00 0.00 C ATOM 2033 C ARG A 131 -0.034 -12.805 11.532 1.00 0.00 C ATOM 2034 O ARG A 131 0.619 -13.595 12.214 1.00 0.00 O ATOM 2035 CB ARG A 131 0.927 -11.052 10.028 1.00 0.00 C ATOM 2036 CG ARG A 131 1.115 -10.543 8.608 1.00 0.00 C ATOM 2037 CD ARG A 131 2.505 -10.864 8.081 1.00 0.00 C ATOM 2038 NE ARG A 131 3.518 -9.962 8.622 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.825 -10.171 8.509 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.275 -11.247 7.878 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.684 -9.304 9.028 1.00 0.00 N ATOM 0 H ARG A 131 -1.497 -11.975 9.324 1.00 0.00 H new ATOM 0 HA ARG A 131 1.167 -13.176 9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.246 -10.385 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.883 -11.010 10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.365 -10.992 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 131 0.955 -9.465 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.761 -11.892 8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.504 -10.797 6.993 1.00 0.00 H new ATOM 0 HE ARG A 131 3.205 -9.125 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.617 -11.916 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.279 -11.405 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.341 -8.476 9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.687 -9.466 8.941 1.00 0.00 H new ATOM 2055 N ASP A 132 -1.123 -12.191 11.979 1.00 0.00 N ATOM 2056 CA ASP A 132 -1.627 -12.415 13.329 1.00 0.00 C ATOM 2057 C ASP A 132 -0.674 -11.835 14.369 1.00 0.00 C ATOM 2058 O ASP A 132 -0.641 -12.285 15.514 1.00 0.00 O ATOM 2059 CB ASP A 132 -1.826 -13.911 13.580 1.00 0.00 C ATOM 2060 CG ASP A 132 -2.797 -14.184 14.712 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -2.965 -13.297 15.575 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -3.387 -15.285 14.736 1.00 0.00 O ATOM 0 H ASP A 132 -1.674 -11.534 11.427 1.00 0.00 H new ATOM 0 HA ASP A 132 -2.587 -11.908 13.420 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -2.193 -14.384 12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -0.864 -14.369 13.812 1.00 0.00 H new ATOM 2067 N ASP A 133 0.099 -10.835 13.961 1.00 0.00 N ATOM 2068 CA ASP A 133 1.054 -10.192 14.858 1.00 0.00 C ATOM 2069 C ASP A 133 0.340 -9.267 15.838 1.00 0.00 C ATOM 2070 O ASP A 133 0.783 -9.087 16.972 1.00 0.00 O ATOM 2071 CB ASP A 133 2.089 -9.404 14.055 1.00 0.00 C ATOM 2072 CG ASP A 133 3.238 -10.273 13.581 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.807 -11.010 14.413 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.567 -10.216 12.378 1.00 0.00 O ATOM 0 H ASP A 133 0.084 -10.452 13.016 1.00 0.00 H new ATOM 0 HA ASP A 133 1.563 -10.971 15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.604 -8.946 13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.480 -8.593 14.669 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.767 -8.680 15.392 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.523 -7.779 16.242 1.00 0.00 C ATOM 2081 C GLY A 134 -1.296 -6.323 15.890 1.00 0.00 C ATOM 2082 O GLY A 134 -1.072 -5.491 16.770 1.00 0.00 O ATOM 0 H GLY A 134 -1.153 -8.813 14.457 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.585 -8.009 16.156 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.244 -7.946 17.282 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.353 -6.012 14.599 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.150 -4.646 14.132 1.00 0.00 C ATOM 2088 C LEU A 135 -2.213 -4.257 13.109 1.00 0.00 C ATOM 2089 O LEU A 135 -2.684 -3.120 13.089 1.00 0.00 O ATOM 2090 CB LEU A 135 0.243 -4.497 13.518 1.00 0.00 C ATOM 2091 CG LEU A 135 1.419 -4.862 14.426 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.720 -4.864 13.639 1.00 0.00 C ATOM 2093 CD2 LEU A 135 1.505 -3.897 15.600 1.00 0.00 C ATOM 0 H LEU A 135 -1.538 -6.688 13.858 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.235 -3.979 14.990 1.00 0.00 H new ATOM 0 HB2 LEU A 135 0.293 -5.119 12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 135 0.367 -3.464 13.194 1.00 0.00 H new ATOM 0 HG LEU A 135 1.254 -5.866 14.817 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.545 -5.126 14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.656 -5.594 12.832 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.892 -3.873 13.218 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.347 -4.171 16.236 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.647 -2.883 15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 135 0.583 -3.945 16.179 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.587 -5.209 12.261 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.595 -4.967 11.236 1.00 0.00 C ATOM 2107 C PHE A 136 -4.899 -4.480 11.860 1.00 0.00 C ATOM 2108 O PHE A 136 -5.252 -4.871 12.972 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.848 -6.242 10.428 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.173 -6.250 9.720 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.338 -6.551 10.406 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.253 -5.956 8.368 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.558 -6.560 9.757 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.470 -5.963 7.714 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.624 -6.264 8.409 1.00 0.00 C ATOM 0 H PHE A 136 -2.207 -6.156 12.263 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.220 -4.191 10.569 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.052 -6.361 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.797 -7.102 11.096 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.292 -6.781 11.460 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.354 -5.719 7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.459 -6.798 10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.518 -5.733 6.660 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.577 -6.268 7.900 1.00 0.00 H new ATOM 2125 N SER A 137 -5.611 -3.623 11.135 1.00 0.00 N ATOM 2126 CA SER A 137 -6.874 -3.077 11.618 1.00 0.00 C ATOM 2127 C SER A 137 -7.941 -3.131 10.529 1.00 0.00 C ATOM 2128 O SER A 137 -7.658 -3.478 9.383 1.00 0.00 O ATOM 2129 CB SER A 137 -6.684 -1.635 12.091 1.00 0.00 C ATOM 2130 OG SER A 137 -6.028 -1.591 13.346 1.00 0.00 O ATOM 0 H SER A 137 -5.335 -3.292 10.211 1.00 0.00 H new ATOM 0 HA SER A 137 -7.206 -3.686 12.459 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.103 -1.081 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.654 -1.143 12.167 1.00 0.00 H new ATOM 0 HG SER A 137 -5.917 -0.658 13.625 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.171 -2.785 10.897 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.263 -2.801 9.941 1.00 0.00 C ATOM 2138 C GLY A 138 -11.015 -4.117 9.941 1.00 0.00 C ATOM 2139 O GLY A 138 -11.062 -4.813 10.956 1.00 0.00 O ATOM 0 H GLY A 138 -9.431 -2.494 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -10.955 -1.991 10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.870 -2.611 8.942 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.607 -4.458 8.802 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.361 -5.700 8.674 1.00 0.00 C ATOM 2145 C ASP A 139 -11.511 -6.787 8.024 1.00 0.00 C ATOM 2146 O ASP A 139 -10.958 -6.611 6.939 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.631 -5.468 7.854 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.794 -5.001 8.706 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.964 -5.536 9.822 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.534 -4.101 8.258 1.00 0.00 O ATOM 0 H ASP A 139 -11.580 -3.892 7.954 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.640 -6.032 9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.430 -4.726 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.905 -6.392 7.345 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.404 -7.940 8.702 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.624 -9.078 8.209 1.00 0.00 C ATOM 2157 C PRO A 140 -11.266 -9.739 6.994 1.00 0.00 C ATOM 2158 O PRO A 140 -10.701 -10.661 6.407 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.613 -10.042 9.399 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.838 -9.700 10.174 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.038 -8.220 10.001 1.00 0.00 C ATOM 0 HA PRO A 140 -9.630 -8.778 7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.631 -11.080 9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.714 -9.916 10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.700 -10.256 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.718 -9.957 11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.095 -7.955 9.998 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.570 -7.654 10.807 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.449 -9.261 6.622 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.168 -9.807 5.477 1.00 0.00 C ATOM 2171 C ASN A 141 -12.730 -9.123 4.185 1.00 0.00 C ATOM 2172 O ASN A 141 -12.518 -9.779 3.165 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.676 -9.641 5.669 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.145 -10.136 7.023 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.073 -11.329 7.319 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.628 -9.220 7.854 1.00 0.00 N ATOM 0 H ASN A 141 -12.930 -8.497 7.097 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.933 -10.869 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.940 -8.589 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.201 -10.185 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.958 -9.494 8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -15.669 -8.242 7.567 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.596 -7.803 4.236 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.183 -7.031 3.070 1.00 0.00 C ATOM 2185 C TRP A 142 -11.113 -7.773 2.277 1.00 0.00 C ATOM 2186 O TRP A 142 -11.141 -7.792 1.046 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.658 -5.660 3.500 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.732 -4.744 4.004 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.059 -4.781 3.682 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.569 -3.653 4.917 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.730 -3.779 4.340 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.839 -3.074 5.104 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.475 -3.110 5.595 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.042 -1.979 5.941 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.677 -2.024 6.425 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.953 -1.468 6.593 1.00 0.00 C ATOM 0 H TRP A 142 -12.767 -7.245 5.072 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.054 -6.894 2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.909 -5.794 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.156 -5.189 2.654 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.514 -5.493 3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.730 -3.591 4.271 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.488 -3.532 5.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.024 -1.549 6.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.838 -1.596 6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.079 -0.620 7.250 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.172 -8.383 2.989 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.091 -9.126 2.350 1.00 0.00 C ATOM 2209 C PHE A 143 -9.144 -10.601 2.737 1.00 0.00 C ATOM 2210 O PHE A 143 -9.275 -10.958 3.908 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.736 -8.533 2.739 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.718 -7.031 2.745 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.048 -6.325 3.891 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.373 -6.325 1.604 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.032 -4.943 3.899 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.355 -4.943 1.606 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.686 -4.251 2.755 1.00 0.00 C ATOM 0 H PHE A 143 -10.135 -8.378 4.008 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.217 -9.046 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.461 -8.896 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.977 -8.895 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.321 -6.861 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.115 -6.861 0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.290 -4.405 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.082 -4.405 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.674 -3.171 2.759 1.00 0.00 H new ATOM 2227 N PRO A 144 -9.038 -11.480 1.729 1.00 0.00 N ATOM 2228 CA PRO A 144 -9.071 -12.931 1.938 1.00 0.00 C ATOM 2229 C PRO A 144 -7.821 -13.443 2.645 1.00 0.00 C ATOM 2230 O PRO A 144 -6.941 -12.665 3.014 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.148 -13.492 0.516 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.537 -12.438 -0.341 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.879 -11.126 0.309 1.00 0.00 C ATOM 0 HA PRO A 144 -9.902 -13.232 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.606 -14.434 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.179 -13.691 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.457 -12.569 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.930 -12.484 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.090 -10.388 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.793 -10.699 -0.104 1.00 0.00 H new