USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 845 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 19 ASN : amide:sc= -1.63! C(o=-1.2!,f=-2.5!) USER MOD Set 1.2: A 116 HIS : no HD1:sc= 0.422 K(o=-1.2,f=-6.1!) USER MOD Set 2.1: A 101 LYS NZ :NH3+ -126:sc= -3.28! (180deg=-4.46!) USER MOD Set 2.2: A 105 MET CE :methyl -128:sc= -0.115 (180deg=-0.135) USER MOD Set 3.1: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 ASN : amide:sc=-0.00387 X(o=-0.0039,f=-0.0039) USER MOD Set 4.1: A 63 GLN : amide:sc= -4.99! C(o=-5!,f=-5.3!) USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.043 X(o=-0.043,f=-0.38) USER MOD Single : A 32 ASN : amide:sc= 0.429 K(o=0.43,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 40 TYR OH : rot -138:sc= 0.6 USER MOD Single : A 41 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.5) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.659 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.275 K(o=0.28,f=-6.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot -10:sc= 1.27 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-0.00591 X(o=-0.0059,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.7!) USER MOD Single : A 81 SER OG : rot 140:sc= -0.451 USER MOD Single : A 84 MET CE :methyl -111:sc= -0.556 (180deg=-2.44) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 97:sc= 0.215 USER MOD Single : A 94 SER OG : rot 150:sc= -0.0305 USER MOD Single : A 95 TYR OH : rot -108:sc= 0.455 USER MOD Single : A 96 THR OG1 : rot 64:sc= 0.526 USER MOD Single : A 98 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.5) USER MOD Single : A 103 ASN : amide:sc= -5.59! C(o=-5.6!,f=-10!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.204 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 112 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.411 15.634 8.832 1.00 0.00 N ATOM 91 CA GLN A 10 1.762 14.775 7.708 1.00 0.00 C ATOM 92 C GLN A 10 0.748 13.647 7.547 1.00 0.00 C ATOM 93 O GLN A 10 0.343 13.018 8.526 1.00 0.00 O ATOM 94 CB GLN A 10 3.163 14.193 7.903 1.00 0.00 C ATOM 95 CG GLN A 10 3.324 13.414 9.199 1.00 0.00 C ATOM 96 CD GLN A 10 4.579 12.564 9.217 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.458 12.715 8.367 1.00 0.00 O ATOM 98 NE2 GLN A 10 4.671 11.664 10.188 1.00 0.00 N ATOM 0 HA GLN A 10 1.750 15.381 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.395 13.537 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.890 15.005 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.350 14.111 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.454 12.774 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.919 11.572 10.871 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.493 11.064 10.251 1.00 0.00 H new ATOM 107 N LEU A 11 0.341 13.396 6.308 1.00 0.00 N ATOM 108 CA LEU A 11 -0.626 12.344 6.018 1.00 0.00 C ATOM 109 C LEU A 11 -0.229 11.037 6.697 1.00 0.00 C ATOM 110 O LEU A 11 0.770 10.415 6.335 1.00 0.00 O ATOM 111 CB LEU A 11 -0.743 12.132 4.508 1.00 0.00 C ATOM 112 CG LEU A 11 -2.099 11.639 4.002 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.230 12.396 4.681 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.190 11.785 2.490 1.00 0.00 C ATOM 0 H LEU A 11 0.666 13.907 5.487 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.594 12.657 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.513 13.074 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.019 11.415 4.202 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.195 10.582 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.187 12.031 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.177 12.240 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.138 13.460 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.162 11.429 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.071 12.834 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.402 11.197 2.020 1.00 0.00 H new ATOM 126 N THR A 12 -1.019 10.624 7.683 1.00 0.00 N ATOM 127 CA THR A 12 -0.751 9.390 8.412 1.00 0.00 C ATOM 128 C THR A 12 -1.980 8.489 8.438 1.00 0.00 C ATOM 129 O THR A 12 -3.076 8.907 8.065 1.00 0.00 O ATOM 130 CB THR A 12 -0.308 9.678 9.859 1.00 0.00 C ATOM 131 OG1 THR A 12 0.280 8.506 10.434 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.488 10.127 10.707 1.00 0.00 C ATOM 0 H THR A 12 -1.850 11.126 7.995 1.00 0.00 H new ATOM 0 HA THR A 12 0.057 8.881 7.887 1.00 0.00 H new ATOM 0 HB THR A 12 0.429 10.480 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.560 8.698 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.151 10.324 11.724 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.915 11.036 10.284 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.245 9.343 10.722 1.00 0.00 H new ATOM 140 N ILE A 13 -1.790 7.251 8.882 1.00 0.00 N ATOM 141 CA ILE A 13 -2.884 6.291 8.958 1.00 0.00 C ATOM 142 C ILE A 13 -2.781 5.439 10.218 1.00 0.00 C ATOM 143 O ILE A 13 -1.690 5.032 10.616 1.00 0.00 O ATOM 144 CB ILE A 13 -2.909 5.366 7.727 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.445 6.118 6.507 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.753 4.132 8.008 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.276 5.362 5.208 1.00 0.00 C ATOM 0 H ILE A 13 -0.889 6.889 9.194 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.808 6.868 8.987 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.890 5.044 7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.503 6.332 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.934 7.078 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.761 3.488 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.331 3.587 8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.773 4.435 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.678 5.955 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.217 5.171 5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.811 4.414 5.267 1.00 0.00 H new ATOM 159 N GLU A 14 -3.925 5.171 10.840 1.00 0.00 N ATOM 160 CA GLU A 14 -3.963 4.366 12.055 1.00 0.00 C ATOM 161 C GLU A 14 -5.038 3.287 11.960 1.00 0.00 C ATOM 162 O GLU A 14 -6.232 3.577 12.035 1.00 0.00 O ATOM 163 CB GLU A 14 -4.222 5.253 13.274 1.00 0.00 C ATOM 164 CG GLU A 14 -4.346 4.479 14.576 1.00 0.00 C ATOM 165 CD GLU A 14 -4.777 5.354 15.737 1.00 0.00 C ATOM 166 OE1 GLU A 14 -5.538 6.316 15.505 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.352 5.076 16.878 1.00 0.00 O ATOM 0 H GLU A 14 -4.837 5.499 10.523 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.994 3.880 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.410 5.975 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.137 5.822 13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.067 3.672 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.388 4.016 14.811 1.00 0.00 H new ATOM 174 N ALA A 15 -4.605 2.041 11.794 1.00 0.00 N ATOM 175 CA ALA A 15 -5.529 0.919 11.689 1.00 0.00 C ATOM 176 C ALA A 15 -6.417 0.822 12.925 1.00 0.00 C ATOM 177 O ALA A 15 -5.939 0.925 14.055 1.00 0.00 O ATOM 178 CB ALA A 15 -4.762 -0.379 11.485 1.00 0.00 C ATOM 0 H ALA A 15 -3.620 1.784 11.729 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.171 1.089 10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.465 -1.209 11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.175 -0.315 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.096 -0.545 12.332 1.00 0.00 H new ATOM 184 N VAL A 16 -7.713 0.624 12.704 1.00 0.00 N ATOM 185 CA VAL A 16 -8.667 0.513 13.800 1.00 0.00 C ATOM 186 C VAL A 16 -9.643 -0.634 13.564 1.00 0.00 C ATOM 187 O VAL A 16 -10.527 -0.566 12.709 1.00 0.00 O ATOM 188 CB VAL A 16 -9.463 1.819 13.986 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.498 1.661 15.090 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.523 2.976 14.287 1.00 0.00 C ATOM 0 H VAL A 16 -8.126 0.537 11.775 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.090 0.316 14.703 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.989 2.040 13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.050 2.593 15.207 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.189 0.860 14.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.997 1.416 16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.102 3.891 14.416 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.968 2.766 15.202 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.824 3.102 13.460 1.00 0.00 H new ATOM 200 N PRO A 17 -9.483 -1.717 14.340 1.00 0.00 N ATOM 201 CA PRO A 17 -8.435 -1.810 15.361 1.00 0.00 C ATOM 202 C PRO A 17 -7.041 -1.919 14.752 1.00 0.00 C ATOM 203 O PRO A 17 -6.883 -1.898 13.531 1.00 0.00 O ATOM 204 CB PRO A 17 -8.790 -3.093 16.117 1.00 0.00 C ATOM 205 CG PRO A 17 -9.556 -3.911 15.136 1.00 0.00 C ATOM 206 CD PRO A 17 -10.312 -2.932 14.281 1.00 0.00 C ATOM 0 HA PRO A 17 -8.401 -0.922 15.993 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.894 -3.615 16.454 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.386 -2.878 17.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.887 -4.522 14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.238 -4.593 15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.423 -3.293 13.259 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.316 -2.753 14.667 1.00 0.00 H new ATOM 214 N SER A 18 -6.033 -2.036 15.610 1.00 0.00 N ATOM 215 CA SER A 18 -4.651 -2.145 15.156 1.00 0.00 C ATOM 216 C SER A 18 -4.256 -3.606 14.965 1.00 0.00 C ATOM 217 O SER A 18 -3.377 -3.923 14.164 1.00 0.00 O ATOM 218 CB SER A 18 -3.709 -1.477 16.159 1.00 0.00 C ATOM 219 OG SER A 18 -2.401 -1.356 15.627 1.00 0.00 O ATOM 0 H SER A 18 -6.147 -2.058 16.623 1.00 0.00 H new ATOM 0 HA SER A 18 -4.568 -1.636 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.091 -0.490 16.421 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.678 -2.061 17.079 1.00 0.00 H new ATOM 0 HG SER A 18 -1.818 -0.925 16.286 1.00 0.00 H new ATOM 225 N ASN A 19 -4.912 -4.492 15.708 1.00 0.00 N ATOM 226 CA ASN A 19 -4.629 -5.921 15.621 1.00 0.00 C ATOM 227 C ASN A 19 -5.922 -6.728 15.562 1.00 0.00 C ATOM 228 O ASN A 19 -6.443 -7.162 16.589 1.00 0.00 O ATOM 229 CB ASN A 19 -3.789 -6.369 16.819 1.00 0.00 C ATOM 230 CG ASN A 19 -4.568 -6.327 18.120 1.00 0.00 C ATOM 231 OD1 ASN A 19 -5.172 -5.310 18.462 1.00 0.00 O ATOM 232 ND2 ASN A 19 -4.558 -7.435 18.851 1.00 0.00 N ATOM 0 H ASN A 19 -5.642 -4.246 16.376 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.067 -6.100 14.704 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.428 -7.383 16.647 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.911 -5.728 16.904 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.065 -7.467 19.736 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.044 -8.254 18.528 1.00 0.00 H new ATOM 239 N ALA A 20 -6.434 -6.927 14.352 1.00 0.00 N ATOM 240 CA ALA A 20 -7.664 -7.684 14.158 1.00 0.00 C ATOM 241 C ALA A 20 -7.370 -9.168 13.964 1.00 0.00 C ATOM 242 O ALA A 20 -6.215 -9.569 13.829 1.00 0.00 O ATOM 243 CB ALA A 20 -8.438 -7.138 12.967 1.00 0.00 C ATOM 0 H ALA A 20 -6.016 -6.574 13.491 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.274 -7.575 15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.354 -7.713 12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.688 -6.092 13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.826 -7.217 12.068 1.00 0.00 H new ATOM 249 N ALA A 21 -8.424 -9.978 13.951 1.00 0.00 N ATOM 250 CA ALA A 21 -8.278 -11.417 13.773 1.00 0.00 C ATOM 251 C ALA A 21 -8.901 -11.873 12.458 1.00 0.00 C ATOM 252 O ALA A 21 -9.568 -11.097 11.775 1.00 0.00 O ATOM 253 CB ALA A 21 -8.906 -12.161 14.943 1.00 0.00 C ATOM 0 H ALA A 21 -9.387 -9.662 14.062 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.213 -11.648 13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.789 -13.235 14.796 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.413 -11.866 15.869 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.966 -11.916 15.003 1.00 0.00 H new ATOM 259 N GLU A 22 -8.679 -13.137 12.110 1.00 0.00 N ATOM 260 CA GLU A 22 -9.219 -13.695 10.875 1.00 0.00 C ATOM 261 C GLU A 22 -10.744 -13.640 10.875 1.00 0.00 C ATOM 262 O GLU A 22 -11.399 -14.283 11.694 1.00 0.00 O ATOM 263 CB GLU A 22 -8.749 -15.140 10.694 1.00 0.00 C ATOM 264 CG GLU A 22 -7.413 -15.260 9.982 1.00 0.00 C ATOM 265 CD GLU A 22 -6.959 -16.699 9.833 1.00 0.00 C ATOM 266 OE1 GLU A 22 -6.928 -17.419 10.853 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.634 -17.105 8.698 1.00 0.00 O ATOM 0 H GLU A 22 -8.130 -13.793 12.665 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.851 -13.094 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.674 -15.614 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.502 -15.690 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.489 -14.803 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.659 -14.700 10.535 1.00 0.00 H new ATOM 274 N GLY A 23 -11.302 -12.867 9.948 1.00 0.00 N ATOM 275 CA GLY A 23 -12.745 -12.741 9.858 1.00 0.00 C ATOM 276 C GLY A 23 -13.250 -11.428 10.423 1.00 0.00 C ATOM 277 O GLY A 23 -14.447 -11.145 10.383 1.00 0.00 O ATOM 0 H GLY A 23 -10.781 -12.326 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.049 -12.825 8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.213 -13.567 10.394 1.00 0.00 H new ATOM 281 N LYS A 24 -12.335 -10.624 10.954 1.00 0.00 N ATOM 282 CA LYS A 24 -12.692 -9.334 11.531 1.00 0.00 C ATOM 283 C LYS A 24 -12.520 -8.214 10.509 1.00 0.00 C ATOM 284 O LYS A 24 -12.037 -8.443 9.401 1.00 0.00 O ATOM 285 CB LYS A 24 -11.832 -9.048 12.765 1.00 0.00 C ATOM 286 CG LYS A 24 -12.116 -9.978 13.932 1.00 0.00 C ATOM 287 CD LYS A 24 -13.455 -9.668 14.580 1.00 0.00 C ATOM 288 CE LYS A 24 -13.890 -10.780 15.521 1.00 0.00 C ATOM 289 NZ LYS A 24 -13.094 -10.784 16.780 1.00 0.00 N ATOM 0 H LYS A 24 -11.340 -10.844 10.997 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.740 -9.375 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.780 -9.132 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.998 -8.019 13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.109 -11.011 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.322 -9.886 14.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.385 -8.730 15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.211 -9.528 13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.947 -10.661 15.760 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.783 -11.742 15.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.421 -11.556 17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.088 -10.923 16.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.216 -9.875 17.271 1.00 0.00 H new ATOM 303 N GLU A 25 -12.918 -7.005 10.890 1.00 0.00 N ATOM 304 CA GLU A 25 -12.807 -5.851 10.006 1.00 0.00 C ATOM 305 C GLU A 25 -11.766 -4.863 10.527 1.00 0.00 C ATOM 306 O GLU A 25 -11.502 -4.800 11.728 1.00 0.00 O ATOM 307 CB GLU A 25 -14.162 -5.154 9.867 1.00 0.00 C ATOM 308 CG GLU A 25 -15.328 -6.116 9.713 1.00 0.00 C ATOM 309 CD GLU A 25 -15.835 -6.636 11.045 1.00 0.00 C ATOM 310 OE1 GLU A 25 -15.724 -5.903 12.049 1.00 0.00 O ATOM 311 OE2 GLU A 25 -16.342 -7.777 11.081 1.00 0.00 O ATOM 0 H GLU A 25 -13.320 -6.799 11.804 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.487 -6.207 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.331 -4.529 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.133 -4.490 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.142 -5.614 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.021 -6.957 9.092 1.00 0.00 H new ATOM 318 N VAL A 26 -11.179 -4.095 9.616 1.00 0.00 N ATOM 319 CA VAL A 26 -10.168 -3.110 9.982 1.00 0.00 C ATOM 320 C VAL A 26 -10.365 -1.808 9.214 1.00 0.00 C ATOM 321 O VAL A 26 -10.321 -1.788 7.983 1.00 0.00 O ATOM 322 CB VAL A 26 -8.746 -3.640 9.717 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.716 -2.548 9.959 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.461 -4.856 10.585 1.00 0.00 C ATOM 0 H VAL A 26 -11.386 -4.136 8.618 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.284 -2.920 11.049 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.679 -3.944 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.717 -2.941 9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.911 -1.709 9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.780 -2.210 10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.452 -5.217 10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.546 -4.581 11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.180 -5.643 10.357 1.00 0.00 H new ATOM 334 N LEU A 27 -10.582 -0.722 9.947 1.00 0.00 N ATOM 335 CA LEU A 27 -10.785 0.586 9.335 1.00 0.00 C ATOM 336 C LEU A 27 -9.522 1.436 9.434 1.00 0.00 C ATOM 337 O LEU A 27 -9.133 1.864 10.522 1.00 0.00 O ATOM 338 CB LEU A 27 -11.954 1.309 10.006 1.00 0.00 C ATOM 339 CG LEU A 27 -12.042 2.816 9.759 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.710 3.099 8.422 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.798 3.498 10.890 1.00 0.00 C ATOM 0 H LEU A 27 -10.622 -0.721 10.966 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.017 0.434 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.882 0.850 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.891 1.140 11.081 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.030 3.220 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.764 4.176 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.129 2.643 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.717 2.681 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.851 4.570 10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.807 3.090 10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.278 3.324 11.832 1.00 0.00 H new ATOM 353 N LEU A 28 -8.887 1.678 8.293 1.00 0.00 N ATOM 354 CA LEU A 28 -7.669 2.480 8.250 1.00 0.00 C ATOM 355 C LEU A 28 -7.997 3.968 8.200 1.00 0.00 C ATOM 356 O LEU A 28 -8.260 4.521 7.130 1.00 0.00 O ATOM 357 CB LEU A 28 -6.821 2.091 7.037 1.00 0.00 C ATOM 358 CG LEU A 28 -6.345 0.639 6.989 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.711 0.330 5.642 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.364 0.362 8.119 1.00 0.00 C ATOM 0 H LEU A 28 -9.195 1.330 7.385 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.102 2.283 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.399 2.293 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.946 2.740 7.007 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.210 -0.012 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.378 -0.708 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.443 0.488 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.856 0.988 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.036 -0.676 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.501 1.021 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.852 0.543 9.077 1.00 0.00 H new ATOM 372 N LEU A 29 -7.979 4.613 9.361 1.00 0.00 N ATOM 373 CA LEU A 29 -8.273 6.039 9.449 1.00 0.00 C ATOM 374 C LEU A 29 -7.112 6.868 8.911 1.00 0.00 C ATOM 375 O LEU A 29 -5.997 6.369 8.755 1.00 0.00 O ATOM 376 CB LEU A 29 -8.566 6.431 10.899 1.00 0.00 C ATOM 377 CG LEU A 29 -10.028 6.340 11.336 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.138 6.425 12.851 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.851 7.438 10.678 1.00 0.00 C ATOM 0 H LEU A 29 -7.764 4.171 10.255 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.153 6.242 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.972 5.794 11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.224 7.454 11.054 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.423 5.376 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.186 6.359 13.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.582 5.604 13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.725 7.374 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.889 7.358 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.456 8.412 10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.799 7.332 9.594 1.00 0.00 H new ATOM 391 N VAL A 30 -7.380 8.140 8.630 1.00 0.00 N ATOM 392 CA VAL A 30 -6.356 9.040 8.112 1.00 0.00 C ATOM 393 C VAL A 30 -6.388 10.382 8.836 1.00 0.00 C ATOM 394 O VAL A 30 -7.430 11.032 8.916 1.00 0.00 O ATOM 395 CB VAL A 30 -6.532 9.280 6.601 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.223 9.737 5.976 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.047 8.022 5.918 1.00 0.00 C ATOM 0 H VAL A 30 -8.297 8.570 8.752 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.394 8.559 8.286 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.269 10.070 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.367 9.901 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.900 10.666 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.462 8.971 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.165 8.210 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.335 7.210 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.010 7.744 6.346 1.00 0.00 H new ATOM 407 N HIS A 31 -5.238 10.791 9.362 1.00 0.00 N ATOM 408 CA HIS A 31 -5.133 12.057 10.079 1.00 0.00 C ATOM 409 C HIS A 31 -4.295 13.060 9.291 1.00 0.00 C ATOM 410 O HIS A 31 -3.525 12.682 8.409 1.00 0.00 O ATOM 411 CB HIS A 31 -4.518 11.836 11.461 1.00 0.00 C ATOM 412 CG HIS A 31 -5.015 10.600 12.146 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.347 10.378 12.426 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.350 9.515 12.607 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.480 9.211 13.030 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.283 8.667 13.152 1.00 0.00 N ATOM 0 H HIS A 31 -4.366 10.265 9.305 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.138 12.463 10.198 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.434 11.776 11.362 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.733 12.701 12.088 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.111 11.016 12.202 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.284 9.347 12.556 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.409 8.776 13.367 1.00 0.00 H new ATOM 425 N ASN A 32 -4.451 14.339 9.616 1.00 0.00 N ATOM 426 CA ASN A 32 -3.709 15.396 8.938 1.00 0.00 C ATOM 427 C ASN A 32 -4.059 15.439 7.453 1.00 0.00 C ATOM 428 O ASN A 32 -3.259 15.883 6.628 1.00 0.00 O ATOM 429 CB ASN A 32 -2.204 15.184 9.113 1.00 0.00 C ATOM 430 CG ASN A 32 -1.788 15.173 10.571 1.00 0.00 C ATOM 431 OD1 ASN A 32 -2.218 16.016 11.358 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.946 14.214 10.938 1.00 0.00 N ATOM 0 H ASN A 32 -5.084 14.669 10.344 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.989 16.349 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.916 14.241 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.665 15.974 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.630 14.156 11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.615 13.536 10.252 1.00 0.00 H new ATOM 439 N LEU A 33 -5.258 14.976 7.120 1.00 0.00 N ATOM 440 CA LEU A 33 -5.715 14.962 5.734 1.00 0.00 C ATOM 441 C LEU A 33 -5.473 16.312 5.068 1.00 0.00 C ATOM 442 O LEU A 33 -5.300 17.336 5.729 1.00 0.00 O ATOM 443 CB LEU A 33 -7.202 14.608 5.670 1.00 0.00 C ATOM 444 CG LEU A 33 -7.534 13.116 5.618 1.00 0.00 C ATOM 445 CD1 LEU A 33 -9.022 12.893 5.842 1.00 0.00 C ATOM 446 CD2 LEU A 33 -7.098 12.519 4.288 1.00 0.00 C ATOM 0 H LEU A 33 -5.932 14.605 7.790 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.144 14.205 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.696 15.040 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.632 15.087 4.790 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.987 12.613 6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.240 11.826 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.306 13.285 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.588 13.409 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.342 11.457 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.617 13.025 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.022 12.646 4.167 1.00 0.00 H new ATOM 458 N PRO A 34 -5.462 16.317 3.726 1.00 0.00 N ATOM 459 CA PRO A 34 -5.246 17.535 2.941 1.00 0.00 C ATOM 460 C PRO A 34 -6.422 18.501 3.032 1.00 0.00 C ATOM 461 O PRO A 34 -7.389 18.248 3.750 1.00 0.00 O ATOM 462 CB PRO A 34 -5.093 17.012 1.510 1.00 0.00 C ATOM 463 CG PRO A 34 -5.832 15.719 1.499 1.00 0.00 C ATOM 464 CD PRO A 34 -5.662 15.133 2.874 1.00 0.00 C ATOM 0 HA PRO A 34 -4.386 18.102 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.509 17.712 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.044 16.871 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.886 15.874 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.434 15.049 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.539 14.562 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.809 14.456 2.920 1.00 0.00 H new ATOM 472 N GLN A 35 -6.333 19.607 2.301 1.00 0.00 N ATOM 473 CA GLN A 35 -7.391 20.610 2.301 1.00 0.00 C ATOM 474 C GLN A 35 -8.540 20.189 1.392 1.00 0.00 C ATOM 475 O GLN A 35 -9.693 20.126 1.820 1.00 0.00 O ATOM 476 CB GLN A 35 -6.839 21.964 1.850 1.00 0.00 C ATOM 477 CG GLN A 35 -6.225 21.939 0.460 1.00 0.00 C ATOM 478 CD GLN A 35 -5.272 23.093 0.221 1.00 0.00 C ATOM 479 OE1 GLN A 35 -5.379 24.143 0.856 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.333 22.906 -0.698 1.00 0.00 N ATOM 0 H GLN A 35 -5.539 19.831 1.701 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.771 20.701 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.643 22.699 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.086 22.296 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.693 20.998 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.020 21.970 -0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.281 22.020 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.664 23.648 -0.902 1.00 0.00 H new ATOM 489 N ASP A 36 -8.220 19.901 0.135 1.00 0.00 N ATOM 490 CA ASP A 36 -9.226 19.485 -0.835 1.00 0.00 C ATOM 491 C ASP A 36 -8.750 18.269 -1.623 1.00 0.00 C ATOM 492 O ASP A 36 -8.218 18.383 -2.728 1.00 0.00 O ATOM 493 CB ASP A 36 -9.549 20.634 -1.792 1.00 0.00 C ATOM 494 CG ASP A 36 -10.354 21.733 -1.125 1.00 0.00 C ATOM 495 OD1 ASP A 36 -11.389 21.416 -0.503 1.00 0.00 O ATOM 496 OD2 ASP A 36 -9.947 22.909 -1.226 1.00 0.00 O ATOM 0 H ASP A 36 -7.271 19.948 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.130 19.212 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.620 21.052 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.105 20.247 -2.646 1.00 0.00 H new ATOM 501 N PRO A 37 -8.944 17.075 -1.044 1.00 0.00 N ATOM 502 CA PRO A 37 -8.541 15.814 -1.675 1.00 0.00 C ATOM 503 C PRO A 37 -9.398 15.473 -2.889 1.00 0.00 C ATOM 504 O PRO A 37 -10.399 14.766 -2.775 1.00 0.00 O ATOM 505 CB PRO A 37 -8.750 14.780 -0.565 1.00 0.00 C ATOM 506 CG PRO A 37 -9.791 15.376 0.317 1.00 0.00 C ATOM 507 CD PRO A 37 -9.571 16.863 0.271 1.00 0.00 C ATOM 0 HA PRO A 37 -7.519 15.855 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.077 13.823 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.826 14.595 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.791 15.119 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.701 15.000 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.509 17.411 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.926 17.199 1.083 1.00 0.00 H new ATOM 515 N ARG A 38 -8.999 15.981 -4.050 1.00 0.00 N ATOM 516 CA ARG A 38 -9.732 15.731 -5.286 1.00 0.00 C ATOM 517 C ARG A 38 -10.283 14.308 -5.312 1.00 0.00 C ATOM 518 O ARG A 38 -11.337 14.050 -5.891 1.00 0.00 O ATOM 519 CB ARG A 38 -8.826 15.961 -6.497 1.00 0.00 C ATOM 520 CG ARG A 38 -9.580 16.370 -7.752 1.00 0.00 C ATOM 521 CD ARG A 38 -8.734 16.169 -8.999 1.00 0.00 C ATOM 522 NE ARG A 38 -8.712 14.773 -9.427 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.759 14.150 -9.956 1.00 0.00 C ATOM 524 NH1 ARG A 38 -10.905 14.796 -10.122 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.661 12.878 -10.321 1.00 0.00 N ATOM 0 H ARG A 38 -8.172 16.568 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.569 16.428 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.097 16.734 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.267 15.048 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.496 15.785 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.875 17.416 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.125 16.789 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.715 16.504 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.845 14.248 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.984 15.774 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.707 14.315 -10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.781 12.378 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.466 12.401 -10.727 1.00 0.00 H new ATOM 539 N GLY A 39 -9.561 13.387 -4.681 1.00 0.00 N ATOM 540 CA GLY A 39 -9.993 12.002 -4.645 1.00 0.00 C ATOM 541 C GLY A 39 -9.009 11.107 -3.918 1.00 0.00 C ATOM 542 O GLY A 39 -7.825 11.430 -3.813 1.00 0.00 O ATOM 0 H GLY A 39 -8.685 13.575 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.965 11.940 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.125 11.639 -5.664 1.00 0.00 H new ATOM 546 N TYR A 40 -9.499 9.981 -3.412 1.00 0.00 N ATOM 547 CA TYR A 40 -8.655 9.038 -2.687 1.00 0.00 C ATOM 548 C TYR A 40 -8.348 7.812 -3.542 1.00 0.00 C ATOM 549 O TYR A 40 -9.143 7.423 -4.397 1.00 0.00 O ATOM 550 CB TYR A 40 -9.336 8.608 -1.386 1.00 0.00 C ATOM 551 CG TYR A 40 -9.964 9.753 -0.625 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.190 10.805 -0.149 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.332 9.784 -0.382 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.760 11.852 0.548 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.910 10.829 0.313 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.120 11.860 0.776 1.00 0.00 C ATOM 557 OH TYR A 40 -11.692 12.903 1.469 1.00 0.00 O ATOM 0 H TYR A 40 -10.476 9.699 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.716 9.538 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.105 7.870 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.602 8.117 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.125 10.803 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.954 8.978 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.144 12.660 0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.975 10.838 0.493 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.360 12.553 2.095 1.00 0.00 H new ATOM 567 N ASN A 41 -7.188 7.209 -3.305 1.00 0.00 N ATOM 568 CA ASN A 41 -6.774 6.027 -4.053 1.00 0.00 C ATOM 569 C ASN A 41 -5.904 5.116 -3.192 1.00 0.00 C ATOM 570 O ASN A 41 -4.814 5.501 -2.769 1.00 0.00 O ATOM 571 CB ASN A 41 -6.011 6.437 -5.314 1.00 0.00 C ATOM 572 CG ASN A 41 -6.931 6.673 -6.496 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.228 5.754 -7.259 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.388 7.910 -6.652 1.00 0.00 N ATOM 0 H ASN A 41 -6.518 7.519 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.670 5.478 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.443 7.345 -5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.290 5.660 -5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.012 8.129 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.115 8.641 -5.995 1.00 0.00 H new ATOM 581 N TRP A 42 -6.393 3.908 -2.938 1.00 0.00 N ATOM 582 CA TRP A 42 -5.660 2.941 -2.129 1.00 0.00 C ATOM 583 C TRP A 42 -4.894 1.961 -3.011 1.00 0.00 C ATOM 584 O TRP A 42 -5.229 1.772 -4.180 1.00 0.00 O ATOM 585 CB TRP A 42 -6.619 2.180 -1.213 1.00 0.00 C ATOM 586 CG TRP A 42 -7.094 2.990 -0.044 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.156 3.848 -0.019 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.522 3.018 1.268 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.278 4.408 1.229 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.288 3.915 2.037 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.438 2.371 1.868 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.003 4.180 3.374 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.156 2.636 3.195 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.936 3.533 3.936 1.00 0.00 C ATOM 0 H TRP A 42 -7.294 3.574 -3.280 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.942 3.487 -1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.482 1.853 -1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.123 1.282 -0.846 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.805 4.056 -0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.991 5.082 1.509 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.832 1.677 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.603 4.872 3.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.320 2.143 3.669 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.690 3.718 4.971 1.00 0.00 H new ATOM 605 N TYR A 43 -3.865 1.341 -2.444 1.00 0.00 N ATOM 606 CA TYR A 43 -3.051 0.382 -3.181 1.00 0.00 C ATOM 607 C TYR A 43 -2.625 -0.775 -2.282 1.00 0.00 C ATOM 608 O TYR A 43 -2.633 -0.660 -1.056 1.00 0.00 O ATOM 609 CB TYR A 43 -1.816 1.071 -3.764 1.00 0.00 C ATOM 610 CG TYR A 43 -2.145 2.152 -4.769 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.370 3.462 -4.361 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.231 1.865 -6.125 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.670 4.453 -5.275 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.530 2.850 -7.047 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.749 4.142 -6.617 1.00 0.00 C ATOM 616 OH TYR A 43 -3.048 5.125 -7.532 1.00 0.00 O ATOM 0 H TYR A 43 -3.575 1.485 -1.477 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.654 -0.018 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.235 1.507 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.184 0.322 -4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.309 3.709 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.061 0.854 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.842 5.466 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.592 2.609 -8.098 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.064 4.740 -8.433 1.00 0.00 H new ATOM 626 N LYS A 44 -2.251 -1.889 -2.900 1.00 0.00 N ATOM 627 CA LYS A 44 -1.818 -3.068 -2.159 1.00 0.00 C ATOM 628 C LYS A 44 -0.297 -3.182 -2.158 1.00 0.00 C ATOM 629 O LYS A 44 0.294 -3.741 -3.080 1.00 0.00 O ATOM 630 CB LYS A 44 -2.434 -4.331 -2.765 1.00 0.00 C ATOM 631 CG LYS A 44 -2.132 -5.594 -1.976 1.00 0.00 C ATOM 632 CD LYS A 44 -3.218 -6.640 -2.162 1.00 0.00 C ATOM 633 CE LYS A 44 -3.174 -7.691 -1.063 1.00 0.00 C ATOM 634 NZ LYS A 44 -2.209 -8.781 -1.376 1.00 0.00 N ATOM 0 H LYS A 44 -2.239 -2.001 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.158 -2.964 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.514 -4.203 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.065 -4.452 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.173 -6.003 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.038 -5.350 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.194 -6.156 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.098 -7.122 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.896 -7.219 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.169 -8.115 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.209 -9.477 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.488 -9.248 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.255 -8.380 -1.482 1.00 0.00 H new ATOM 648 N GLY A 45 0.331 -2.649 -1.114 1.00 0.00 N ATOM 649 CA GLY A 45 1.777 -2.703 -1.011 1.00 0.00 C ATOM 650 C GLY A 45 2.381 -1.369 -0.618 1.00 0.00 C ATOM 651 O GLY A 45 1.692 -0.506 -0.075 1.00 0.00 O ATOM 0 H GLY A 45 -0.137 -2.181 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.058 -3.456 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.195 -3.020 -1.967 1.00 0.00 H new ATOM 655 N GLU A 46 3.671 -1.201 -0.891 1.00 0.00 N ATOM 656 CA GLU A 46 4.367 0.036 -0.559 1.00 0.00 C ATOM 657 C GLU A 46 4.818 0.763 -1.822 1.00 0.00 C ATOM 658 O GLU A 46 5.955 1.227 -1.914 1.00 0.00 O ATOM 659 CB GLU A 46 5.575 -0.255 0.334 1.00 0.00 C ATOM 660 CG GLU A 46 5.209 -0.879 1.670 1.00 0.00 C ATOM 661 CD GLU A 46 6.334 -1.711 2.254 1.00 0.00 C ATOM 662 OE1 GLU A 46 6.759 -2.681 1.593 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.789 -1.391 3.372 1.00 0.00 O ATOM 0 H GLU A 46 4.255 -1.906 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 46 3.672 0.679 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.255 -0.923 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.116 0.674 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.942 -0.091 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.326 -1.506 1.544 1.00 0.00 H new ATOM 670 N THR A 47 3.918 0.858 -2.796 1.00 0.00 N ATOM 671 CA THR A 47 4.222 1.526 -4.056 1.00 0.00 C ATOM 672 C THR A 47 2.950 2.009 -4.743 1.00 0.00 C ATOM 673 O THR A 47 1.902 1.369 -4.652 1.00 0.00 O ATOM 674 CB THR A 47 4.988 0.595 -5.014 1.00 0.00 C ATOM 675 OG1 THR A 47 4.090 -0.358 -5.594 1.00 0.00 O ATOM 676 CG2 THR A 47 6.106 -0.133 -4.283 1.00 0.00 C ATOM 0 H THR A 47 2.972 0.481 -2.736 1.00 0.00 H new ATOM 0 HA THR A 47 4.850 2.384 -3.816 1.00 0.00 H new ATOM 0 HB THR A 47 5.428 1.205 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.585 -0.945 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.633 -0.785 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.804 0.595 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.684 -0.731 -3.476 1.00 0.00 H new ATOM 684 N VAL A 48 3.048 3.142 -5.432 1.00 0.00 N ATOM 685 CA VAL A 48 1.905 3.709 -6.137 1.00 0.00 C ATOM 686 C VAL A 48 1.721 3.055 -7.501 1.00 0.00 C ATOM 687 O VAL A 48 1.693 3.734 -8.528 1.00 0.00 O ATOM 688 CB VAL A 48 2.061 5.230 -6.325 1.00 0.00 C ATOM 689 CG1 VAL A 48 0.846 5.808 -7.034 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.281 5.913 -4.984 1.00 0.00 C ATOM 0 H VAL A 48 3.907 3.685 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 48 1.025 3.514 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 48 2.936 5.413 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.974 6.883 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.739 5.340 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.048 5.615 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.389 6.987 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.427 5.723 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.185 5.520 -4.519 1.00 0.00 H new ATOM 700 N ASP A 49 1.595 1.733 -7.505 1.00 0.00 N ATOM 701 CA ASP A 49 1.411 0.986 -8.744 1.00 0.00 C ATOM 702 C ASP A 49 -0.057 0.973 -9.158 1.00 0.00 C ATOM 703 O ASP A 49 -0.948 1.162 -8.330 1.00 0.00 O ATOM 704 CB ASP A 49 1.920 -0.447 -8.580 1.00 0.00 C ATOM 705 CG ASP A 49 1.065 -1.260 -7.627 1.00 0.00 C ATOM 706 OD1 ASP A 49 -0.144 -0.970 -7.522 1.00 0.00 O ATOM 707 OD2 ASP A 49 1.607 -2.185 -6.986 1.00 0.00 O ATOM 0 H ASP A 49 1.617 1.156 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 49 1.986 1.481 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.939 -0.936 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.946 -0.425 -8.214 1.00 0.00 H new ATOM 712 N ALA A 50 -0.301 0.751 -10.446 1.00 0.00 N ATOM 713 CA ALA A 50 -1.661 0.713 -10.970 1.00 0.00 C ATOM 714 C ALA A 50 -2.118 -0.722 -11.208 1.00 0.00 C ATOM 715 O ALA A 50 -3.288 -0.971 -11.493 1.00 0.00 O ATOM 716 CB ALA A 50 -1.752 1.518 -12.258 1.00 0.00 C ATOM 0 H ALA A 50 0.425 0.595 -11.145 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.323 1.159 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.773 1.481 -12.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.476 2.554 -12.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.073 1.097 -12.999 1.00 0.00 H new ATOM 722 N ASN A 51 -1.186 -1.662 -11.088 1.00 0.00 N ATOM 723 CA ASN A 51 -1.494 -3.073 -11.291 1.00 0.00 C ATOM 724 C ASN A 51 -1.998 -3.711 -10.000 1.00 0.00 C ATOM 725 O ASN A 51 -2.734 -4.697 -10.030 1.00 0.00 O ATOM 726 CB ASN A 51 -0.256 -3.819 -11.793 1.00 0.00 C ATOM 727 CG ASN A 51 0.215 -3.315 -13.143 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.384 -3.618 -14.175 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.295 -2.542 -13.142 1.00 0.00 N ATOM 0 H ASN A 51 -0.212 -1.472 -10.851 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.282 -3.143 -12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.549 -3.711 -11.067 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.480 -4.883 -11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.660 -2.174 -14.021 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.760 -2.316 -12.263 1.00 0.00 H new ATOM 736 N ARG A 52 -1.596 -3.141 -8.869 1.00 0.00 N ATOM 737 CA ARG A 52 -2.006 -3.655 -7.568 1.00 0.00 C ATOM 738 C ARG A 52 -3.030 -2.729 -6.916 1.00 0.00 C ATOM 739 O ARG A 52 -3.307 -2.837 -5.721 1.00 0.00 O ATOM 740 CB ARG A 52 -0.791 -3.813 -6.652 1.00 0.00 C ATOM 741 CG ARG A 52 0.344 -4.607 -7.278 1.00 0.00 C ATOM 742 CD ARG A 52 0.088 -6.104 -7.197 1.00 0.00 C ATOM 743 NE ARG A 52 1.244 -6.882 -7.635 1.00 0.00 N ATOM 744 CZ ARG A 52 1.454 -8.146 -7.287 1.00 0.00 C ATOM 745 NH1 ARG A 52 0.591 -8.772 -6.499 1.00 0.00 N ATOM 746 NH2 ARG A 52 2.530 -8.787 -7.727 1.00 0.00 N ATOM 0 H ARG A 52 -0.987 -2.324 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.468 -4.631 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.423 -2.825 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.103 -4.305 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.463 -4.313 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.279 -4.369 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.163 -6.374 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.774 -6.358 -7.813 1.00 0.00 H new ATOM 0 HE ARG A 52 1.928 -6.429 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.237 -8.283 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.755 -9.743 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.196 -8.308 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.690 -9.758 -7.459 1.00 0.00 H new ATOM 760 N ARG A 53 -3.587 -1.820 -7.709 1.00 0.00 N ATOM 761 CA ARG A 53 -4.578 -0.875 -7.210 1.00 0.00 C ATOM 762 C ARG A 53 -5.799 -1.607 -6.659 1.00 0.00 C ATOM 763 O ARG A 53 -6.327 -2.519 -7.296 1.00 0.00 O ATOM 764 CB ARG A 53 -5.005 0.085 -8.322 1.00 0.00 C ATOM 765 CG ARG A 53 -5.957 1.174 -7.854 1.00 0.00 C ATOM 766 CD ARG A 53 -5.802 2.441 -8.680 1.00 0.00 C ATOM 767 NE ARG A 53 -6.505 2.352 -9.957 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.608 3.364 -10.811 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.056 4.535 -10.527 1.00 0.00 N ATOM 770 NH2 ARG A 53 -7.265 3.205 -11.954 1.00 0.00 N ATOM 0 H ARG A 53 -3.369 -1.718 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.122 -0.304 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.117 0.550 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.482 -0.485 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.984 0.816 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.768 1.397 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.184 3.291 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.744 2.628 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.941 1.464 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.550 4.661 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.137 5.310 -11.185 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.691 2.305 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.344 3.983 -12.609 1.00 0.00 H new ATOM 784 N ILE A 54 -6.240 -1.202 -5.473 1.00 0.00 N ATOM 785 CA ILE A 54 -7.398 -1.819 -4.838 1.00 0.00 C ATOM 786 C ILE A 54 -8.690 -1.129 -5.262 1.00 0.00 C ATOM 787 O ILE A 54 -9.594 -1.763 -5.806 1.00 0.00 O ATOM 788 CB ILE A 54 -7.286 -1.777 -3.303 1.00 0.00 C ATOM 789 CG1 ILE A 54 -6.034 -2.525 -2.840 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.532 -2.375 -2.665 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.661 -2.246 -1.401 1.00 0.00 C ATOM 0 H ILE A 54 -5.813 -0.450 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.421 -2.859 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.202 -0.737 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.194 -3.596 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.198 -2.251 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.438 -2.338 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.408 -1.804 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.643 -3.411 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.765 -2.809 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.469 -1.180 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.480 -2.547 -0.748 1.00 0.00 H new ATOM 803 N ILE A 55 -8.769 0.174 -5.010 1.00 0.00 N ATOM 804 CA ILE A 55 -9.949 0.950 -5.367 1.00 0.00 C ATOM 805 C ILE A 55 -9.671 2.447 -5.274 1.00 0.00 C ATOM 806 O ILE A 55 -8.936 2.899 -4.397 1.00 0.00 O ATOM 807 CB ILE A 55 -11.146 0.604 -4.463 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.449 1.100 -5.093 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.957 1.209 -3.079 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.684 0.422 -4.541 1.00 0.00 C ATOM 0 H ILE A 55 -8.029 0.713 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.196 0.692 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.203 -0.480 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.533 2.175 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.407 0.939 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.811 0.956 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.047 0.812 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.878 2.293 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.570 0.823 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.622 -0.651 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.751 0.605 -3.469 1.00 0.00 H new ATOM 822 N GLY A 56 -10.266 3.212 -6.184 1.00 0.00 N ATOM 823 CA GLY A 56 -10.072 4.650 -6.186 1.00 0.00 C ATOM 824 C GLY A 56 -11.378 5.411 -6.303 1.00 0.00 C ATOM 825 O GLY A 56 -12.213 5.099 -7.152 1.00 0.00 O ATOM 0 H GLY A 56 -10.879 2.861 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.563 4.946 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.420 4.924 -7.015 1.00 0.00 H new ATOM 829 N TYR A 57 -11.556 6.412 -5.448 1.00 0.00 N ATOM 830 CA TYR A 57 -12.772 7.217 -5.457 1.00 0.00 C ATOM 831 C TYR A 57 -12.453 8.681 -5.746 1.00 0.00 C ATOM 832 O TYR A 57 -11.421 9.200 -5.321 1.00 0.00 O ATOM 833 CB TYR A 57 -13.497 7.097 -4.116 1.00 0.00 C ATOM 834 CG TYR A 57 -14.561 8.151 -3.907 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.746 8.124 -4.633 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.383 9.174 -2.984 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.720 9.085 -4.446 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.353 10.138 -2.789 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.520 10.089 -3.523 1.00 0.00 C ATOM 840 OH TYR A 57 -17.488 11.049 -3.333 1.00 0.00 O ATOM 0 H TYR A 57 -10.874 6.685 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.421 6.842 -6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.956 6.111 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.766 7.165 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.908 7.338 -5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.470 9.216 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.634 9.050 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.199 10.925 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.190 11.682 -2.647 1.00 0.00 H new ATOM 850 N VAL A 58 -13.349 9.342 -6.473 1.00 0.00 N ATOM 851 CA VAL A 58 -13.166 10.746 -6.819 1.00 0.00 C ATOM 852 C VAL A 58 -14.322 11.595 -6.301 1.00 0.00 C ATOM 853 O VAL A 58 -15.458 11.456 -6.753 1.00 0.00 O ATOM 854 CB VAL A 58 -13.045 10.938 -8.343 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.728 12.388 -8.675 1.00 0.00 C ATOM 856 CG2 VAL A 58 -11.987 10.007 -8.914 1.00 0.00 C ATOM 0 H VAL A 58 -14.208 8.927 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.240 11.070 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.002 10.687 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.646 12.504 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.525 13.030 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.785 12.671 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.915 10.156 -9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.024 10.224 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.263 8.973 -8.708 1.00 0.00 H new ATOM 866 N ILE A 59 -14.023 12.474 -5.351 1.00 0.00 N ATOM 867 CA ILE A 59 -15.037 13.347 -4.772 1.00 0.00 C ATOM 868 C ILE A 59 -15.612 14.292 -5.821 1.00 0.00 C ATOM 869 O ILE A 59 -16.811 14.572 -5.829 1.00 0.00 O ATOM 870 CB ILE A 59 -14.467 14.177 -3.607 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.959 13.256 -2.496 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.524 15.131 -3.069 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.836 13.856 -1.680 1.00 0.00 C ATOM 0 H ILE A 59 -13.087 12.601 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.830 12.702 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.628 14.766 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.788 13.009 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.616 12.321 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.106 15.711 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.843 15.806 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.381 14.560 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.526 13.148 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.991 14.077 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.181 14.776 -1.208 1.00 0.00 H new ATOM 885 N SER A 60 -14.750 14.780 -6.707 1.00 0.00 N ATOM 886 CA SER A 60 -15.172 15.695 -7.761 1.00 0.00 C ATOM 887 C SER A 60 -16.572 15.346 -8.256 1.00 0.00 C ATOM 888 O SER A 60 -17.502 16.141 -8.132 1.00 0.00 O ATOM 889 CB SER A 60 -14.181 15.656 -8.926 1.00 0.00 C ATOM 890 OG SER A 60 -14.658 16.413 -10.026 1.00 0.00 O ATOM 0 H SER A 60 -13.755 14.557 -6.716 1.00 0.00 H new ATOM 0 HA SER A 60 -15.194 16.703 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.217 16.048 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.018 14.623 -9.234 1.00 0.00 H new ATOM 0 HG SER A 60 -14.006 16.374 -10.757 1.00 0.00 H new ATOM 896 N ASN A 61 -16.712 14.149 -8.818 1.00 0.00 N ATOM 897 CA ASN A 61 -17.998 13.693 -9.333 1.00 0.00 C ATOM 898 C ASN A 61 -18.470 12.447 -8.591 1.00 0.00 C ATOM 899 O ASN A 61 -19.441 11.805 -8.991 1.00 0.00 O ATOM 900 CB ASN A 61 -17.896 13.401 -10.831 1.00 0.00 C ATOM 901 CG ASN A 61 -16.771 12.438 -11.157 1.00 0.00 C ATOM 902 OD1 ASN A 61 -15.750 12.404 -10.469 1.00 0.00 O ATOM 903 ND2 ASN A 61 -16.952 11.651 -12.210 1.00 0.00 N ATOM 0 H ASN A 61 -15.951 13.478 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.728 14.487 -9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -18.840 12.985 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -17.739 14.335 -11.371 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.229 10.983 -12.478 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.814 11.714 -12.751 1.00 0.00 H new ATOM 910 N GLN A 62 -17.777 12.111 -7.507 1.00 0.00 N ATOM 911 CA GLN A 62 -18.125 10.942 -6.710 1.00 0.00 C ATOM 912 C GLN A 62 -18.088 9.674 -7.557 1.00 0.00 C ATOM 913 O GLN A 62 -19.059 8.920 -7.605 1.00 0.00 O ATOM 914 CB GLN A 62 -19.514 11.115 -6.091 1.00 0.00 C ATOM 915 CG GLN A 62 -19.662 12.390 -5.277 1.00 0.00 C ATOM 916 CD GLN A 62 -21.001 12.479 -4.571 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.065 12.550 -3.343 1.00 0.00 O ATOM 918 NE2 GLN A 62 -22.080 12.477 -5.345 1.00 0.00 N ATOM 0 H GLN A 62 -16.971 12.632 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.388 10.846 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.260 11.113 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.727 10.259 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.862 12.440 -4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.544 13.252 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.981 12.417 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -23.008 12.536 -4.926 1.00 0.00 H new ATOM 927 N GLN A 63 -16.961 9.447 -8.223 1.00 0.00 N ATOM 928 CA GLN A 63 -16.798 8.271 -9.070 1.00 0.00 C ATOM 929 C GLN A 63 -15.940 7.217 -8.378 1.00 0.00 C ATOM 930 O GLN A 63 -15.042 7.545 -7.603 1.00 0.00 O ATOM 931 CB GLN A 63 -16.166 8.662 -10.407 1.00 0.00 C ATOM 932 CG GLN A 63 -15.668 7.474 -11.214 1.00 0.00 C ATOM 933 CD GLN A 63 -16.738 6.423 -11.428 1.00 0.00 C ATOM 934 OE1 GLN A 63 -17.933 6.710 -11.343 1.00 0.00 O ATOM 935 NE2 GLN A 63 -16.315 5.195 -11.706 1.00 0.00 N ATOM 0 H GLN A 63 -16.147 10.061 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.785 7.847 -9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.898 9.212 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.333 9.340 -10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.308 7.823 -12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.818 7.023 -10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.315 5.001 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.990 4.445 -11.859 1.00 0.00 H new ATOM 944 N ILE A 64 -16.224 5.950 -8.662 1.00 0.00 N ATOM 945 CA ILE A 64 -15.478 4.848 -8.068 1.00 0.00 C ATOM 946 C ILE A 64 -15.010 3.863 -9.133 1.00 0.00 C ATOM 947 O ILE A 64 -15.781 3.461 -10.005 1.00 0.00 O ATOM 948 CB ILE A 64 -16.323 4.095 -7.023 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.762 5.046 -5.908 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.537 2.925 -6.451 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.778 4.442 -4.964 1.00 0.00 C ATOM 0 H ILE A 64 -16.966 5.662 -9.300 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.610 5.285 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.215 3.704 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.886 5.353 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.183 5.947 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.147 2.403 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.271 2.238 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.629 3.295 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.043 5.172 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.671 4.160 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.353 3.558 -4.489 1.00 0.00 H new ATOM 963 N THR A 65 -13.740 3.475 -9.056 1.00 0.00 N ATOM 964 CA THR A 65 -13.168 2.536 -10.013 1.00 0.00 C ATOM 965 C THR A 65 -12.388 1.436 -9.304 1.00 0.00 C ATOM 966 O THR A 65 -11.231 1.611 -8.921 1.00 0.00 O ATOM 967 CB THR A 65 -12.237 3.249 -11.012 1.00 0.00 C ATOM 968 OG1 THR A 65 -12.899 4.389 -11.571 1.00 0.00 O ATOM 969 CG2 THR A 65 -11.815 2.304 -12.127 1.00 0.00 C ATOM 0 H THR A 65 -13.088 3.797 -8.340 1.00 0.00 H new ATOM 0 HA THR A 65 -14.001 2.093 -10.558 1.00 0.00 H new ATOM 0 HB THR A 65 -11.346 3.574 -10.476 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.300 4.837 -12.204 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.158 2.829 -12.820 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.286 1.452 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.698 1.953 -12.660 1.00 0.00 H new ATOM 977 N PRO A 66 -13.032 0.273 -9.124 1.00 0.00 N ATOM 978 CA PRO A 66 -12.416 -0.879 -8.461 1.00 0.00 C ATOM 979 C PRO A 66 -11.311 -1.509 -9.302 1.00 0.00 C ATOM 980 O PRO A 66 -11.544 -1.936 -10.432 1.00 0.00 O ATOM 981 CB PRO A 66 -13.582 -1.857 -8.292 1.00 0.00 C ATOM 982 CG PRO A 66 -14.541 -1.492 -9.372 1.00 0.00 C ATOM 983 CD PRO A 66 -14.412 -0.005 -9.556 1.00 0.00 C ATOM 0 HA PRO A 66 -11.936 -0.600 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.250 -2.890 -8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.039 -1.762 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.308 -2.021 -10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.560 -1.764 -9.097 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.575 0.287 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.139 0.539 -8.953 1.00 0.00 H new ATOM 991 N GLY A 67 -10.106 -1.564 -8.743 1.00 0.00 N ATOM 992 CA GLY A 67 -8.983 -2.145 -9.455 1.00 0.00 C ATOM 993 C GLY A 67 -9.048 -3.658 -9.508 1.00 0.00 C ATOM 994 O GLY A 67 -10.027 -4.273 -9.084 1.00 0.00 O ATOM 0 H GLY A 67 -9.888 -1.216 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.958 -1.750 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.054 -1.841 -8.972 1.00 0.00 H new ATOM 998 N PRO A 68 -7.987 -4.282 -10.040 1.00 0.00 N ATOM 999 CA PRO A 68 -7.905 -5.741 -10.159 1.00 0.00 C ATOM 1000 C PRO A 68 -7.752 -6.426 -8.806 1.00 0.00 C ATOM 1001 O PRO A 68 -8.111 -7.592 -8.646 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.652 -5.957 -11.012 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.819 -4.744 -10.774 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.785 -3.612 -10.565 1.00 0.00 C ATOM 0 HA PRO A 68 -8.811 -6.166 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.124 -6.864 -10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.905 -6.063 -12.067 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.178 -4.876 -9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.165 -4.547 -11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.396 -2.876 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.993 -3.084 -11.496 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.218 -5.694 -7.834 1.00 0.00 N ATOM 1013 CA ALA A 69 -7.021 -6.230 -6.493 1.00 0.00 C ATOM 1014 C ALA A 69 -8.243 -5.979 -5.616 1.00 0.00 C ATOM 1015 O ALA A 69 -8.141 -5.942 -4.389 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.779 -5.623 -5.858 1.00 0.00 C ATOM 0 H ALA A 69 -6.914 -4.727 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.882 -7.308 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.645 -6.033 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.906 -5.860 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.895 -4.541 -5.795 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.396 -5.805 -6.251 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.637 -5.553 -5.528 1.00 0.00 C ATOM 1024 C TYR A 70 -11.507 -6.806 -5.488 1.00 0.00 C ATOM 1025 O TYR A 70 -11.938 -7.309 -6.525 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.407 -4.404 -6.180 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.566 -3.903 -5.348 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.348 -3.237 -4.148 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.878 -4.094 -5.763 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.404 -2.778 -3.385 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.940 -3.638 -5.006 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.698 -2.981 -3.818 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.752 -2.524 -3.060 1.00 0.00 O ATOM 0 H TYR A 70 -9.498 -5.834 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.383 -5.276 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.721 -3.578 -6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.782 -4.733 -7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.336 -3.076 -3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.071 -4.608 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.218 -2.263 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.954 -3.795 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.422 -2.229 -2.185 1.00 0.00 H new ATOM 1043 N SER A 71 -11.762 -7.302 -4.282 1.00 0.00 N ATOM 1044 CA SER A 71 -12.579 -8.497 -4.104 1.00 0.00 C ATOM 1045 C SER A 71 -13.973 -8.133 -3.602 1.00 0.00 C ATOM 1046 O SER A 71 -14.715 -8.990 -3.124 1.00 0.00 O ATOM 1047 CB SER A 71 -11.906 -9.459 -3.123 1.00 0.00 C ATOM 1048 OG SER A 71 -10.623 -9.846 -3.585 1.00 0.00 O ATOM 0 H SER A 71 -11.415 -6.895 -3.413 1.00 0.00 H new ATOM 0 HA SER A 71 -12.678 -8.987 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.816 -8.983 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.530 -10.343 -2.990 1.00 0.00 H new ATOM 0 HG SER A 71 -10.214 -10.459 -2.939 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.321 -6.856 -3.716 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.625 -6.376 -3.273 1.00 0.00 C ATOM 1056 C ASN A 72 -15.786 -6.551 -1.766 1.00 0.00 C ATOM 1057 O ASN A 72 -16.892 -6.772 -1.271 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.741 -7.123 -4.007 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.655 -6.958 -5.512 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -17.173 -5.993 -6.073 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -15.997 -7.904 -6.173 1.00 0.00 N ATOM 0 H ASN A 72 -13.718 -6.134 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.693 -5.313 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.690 -8.183 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.708 -6.759 -3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.905 -7.848 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.583 -8.687 -5.666 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.676 -6.450 -1.042 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.694 -6.597 0.408 1.00 0.00 C ATOM 1070 C ARG A 73 -14.186 -5.330 1.089 1.00 0.00 C ATOM 1071 O ARG A 73 -14.268 -5.195 2.310 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.840 -7.794 0.831 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.202 -9.084 0.115 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.474 -10.277 0.714 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.053 -10.277 0.378 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.129 -9.641 1.090 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.476 -8.959 2.172 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.856 -9.688 0.720 1.00 0.00 N ATOM 0 H ARG A 73 -13.753 -6.267 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.725 -6.767 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.791 -7.566 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.945 -7.943 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.278 -9.245 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.952 -8.997 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.590 -10.265 1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.931 -11.199 0.354 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.753 -10.794 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.454 -8.922 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.765 -8.471 2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.586 -10.213 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.147 -9.199 1.267 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.662 -4.405 0.292 1.00 0.00 N ATOM 1093 CA GLU A 74 -13.140 -3.149 0.819 1.00 0.00 C ATOM 1094 C GLU A 74 -14.016 -1.974 0.393 1.00 0.00 C ATOM 1095 O GLU A 74 -14.631 -1.997 -0.674 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.703 -2.928 0.341 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.749 -4.038 0.748 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.871 -5.265 -0.135 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -11.125 -5.100 -1.346 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -10.713 -6.389 0.385 1.00 0.00 O ATOM 0 H GLU A 74 -13.587 -4.501 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.148 -3.210 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.700 -2.838 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.338 -1.982 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.725 -3.666 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.945 -4.319 1.783 1.00 0.00 H new ATOM 1107 N THR A 75 -14.068 -0.947 1.235 1.00 0.00 N ATOM 1108 CA THR A 75 -14.869 0.236 0.948 1.00 0.00 C ATOM 1109 C THR A 75 -14.152 1.506 1.391 1.00 0.00 C ATOM 1110 O THR A 75 -13.621 1.576 2.500 1.00 0.00 O ATOM 1111 CB THR A 75 -16.242 0.167 1.642 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.981 -0.960 1.157 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.036 1.442 1.400 1.00 0.00 C ATOM 0 H THR A 75 -13.565 -0.911 2.121 1.00 0.00 H new ATOM 0 HA THR A 75 -15.017 0.263 -0.132 1.00 0.00 H new ATOM 0 HB THR A 75 -16.077 0.058 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.852 -0.997 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.002 1.370 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.485 2.295 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.191 1.577 0.329 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.140 2.509 0.519 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.489 3.777 0.822 1.00 0.00 C ATOM 1123 C ILE A 76 -14.358 4.637 1.732 1.00 0.00 C ATOM 1124 O ILE A 76 -15.533 4.340 1.949 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.170 4.567 -0.461 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.935 3.609 -1.631 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.955 5.457 -0.247 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.186 3.310 -2.427 1.00 0.00 C ATOM 0 H ILE A 76 -14.574 2.468 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.556 3.539 1.333 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.023 5.201 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.185 4.037 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.525 2.674 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.742 6.009 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.157 6.160 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.094 4.841 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.945 2.625 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.931 2.853 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.585 4.237 -2.840 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.774 5.706 2.262 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.495 6.610 3.150 1.00 0.00 C ATOM 1142 C TYR A 77 -14.275 8.064 2.742 1.00 0.00 C ATOM 1143 O TYR A 77 -13.334 8.399 2.023 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.047 6.402 4.597 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.850 5.353 5.334 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.790 4.016 4.961 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.666 5.699 6.403 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.522 3.054 5.630 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.400 4.744 7.080 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.325 3.423 6.689 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.055 2.468 7.360 1.00 0.00 O ATOM 0 H TYR A 77 -12.803 5.968 2.092 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.559 6.385 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.995 6.115 4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.123 7.349 5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.160 3.724 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.728 6.732 6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.466 2.019 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.029 5.030 7.910 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.567 2.893 8.080 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.164 8.951 3.214 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.090 10.383 2.913 1.00 0.00 C ATOM 1163 C PRO A 78 -13.906 11.058 3.599 1.00 0.00 C ATOM 1164 O PRO A 78 -13.720 12.269 3.486 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.409 10.931 3.463 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.802 9.969 4.531 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.312 8.622 4.077 1.00 0.00 C ATOM 0 HA PRO A 78 -14.947 10.569 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.284 11.937 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.169 10.990 2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.357 10.244 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.883 9.964 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.016 7.997 4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.082 8.077 3.531 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.109 10.267 4.309 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.943 10.788 5.013 1.00 0.00 C ATOM 1177 C ASN A 79 -10.667 10.102 4.535 1.00 0.00 C ATOM 1178 O ASN A 79 -9.647 10.117 5.223 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.105 10.596 6.522 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.870 11.733 7.171 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -13.250 12.699 6.508 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -13.101 11.623 8.474 1.00 0.00 N ATOM 0 H ASN A 79 -13.249 9.262 4.412 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.864 11.853 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.625 9.657 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.121 10.514 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.612 12.357 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.768 10.805 8.984 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.732 9.502 3.351 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.582 8.813 2.780 1.00 0.00 C ATOM 1191 C ALA A 80 -9.267 7.536 3.553 1.00 0.00 C ATOM 1192 O ALA A 80 -8.127 7.073 3.566 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.371 9.733 2.761 1.00 0.00 C ATOM 0 H ALA A 80 -11.569 9.479 2.769 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.829 8.535 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.520 9.205 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.593 10.614 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.132 10.040 3.779 1.00 0.00 H new ATOM 1199 N SER A 81 -10.285 6.973 4.196 1.00 0.00 N ATOM 1200 CA SER A 81 -10.116 5.752 4.975 1.00 0.00 C ATOM 1201 C SER A 81 -10.706 4.553 4.241 1.00 0.00 C ATOM 1202 O SER A 81 -11.716 4.671 3.545 1.00 0.00 O ATOM 1203 CB SER A 81 -10.777 5.902 6.347 1.00 0.00 C ATOM 1204 OG SER A 81 -10.345 7.085 6.995 1.00 0.00 O ATOM 0 H SER A 81 -11.236 7.343 4.193 1.00 0.00 H new ATOM 0 HA SER A 81 -9.048 5.582 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.861 5.922 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.538 5.037 6.966 1.00 0.00 H new ATOM 0 HG SER A 81 -11.105 7.505 7.450 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.070 3.398 4.401 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.531 2.174 3.754 1.00 0.00 C ATOM 1212 C LEU A 82 -10.927 1.126 4.789 1.00 0.00 C ATOM 1213 O LEU A 82 -10.149 0.802 5.688 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.441 1.616 2.837 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.827 0.396 2.001 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.403 0.827 0.661 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.623 -0.514 1.798 1.00 0.00 C ATOM 0 H LEU A 82 -9.233 3.283 4.973 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.410 2.418 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.122 2.409 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.578 1.354 3.449 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.593 -0.162 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.672 -0.055 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.291 1.437 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.660 1.408 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.916 -1.377 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.836 0.034 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.254 -0.851 2.767 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.139 0.599 4.656 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.637 -0.415 5.579 1.00 0.00 C ATOM 1231 C LEU A 83 -12.452 -1.815 5.002 1.00 0.00 C ATOM 1232 O LEU A 83 -13.072 -2.171 4.000 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.115 -0.170 5.887 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.835 -1.283 6.650 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.399 -1.301 8.106 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.344 -1.111 6.545 1.00 0.00 C ATOM 0 H LEU A 83 -12.795 0.857 3.918 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.062 -0.344 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.197 0.751 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.639 -0.004 4.946 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.566 -2.239 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.922 -2.099 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.324 -1.473 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.638 -0.344 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.840 -1.911 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.631 -0.149 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.643 -1.150 5.497 1.00 0.00 H new ATOM 1248 N MET A 84 -11.596 -2.605 5.642 1.00 0.00 N ATOM 1249 CA MET A 84 -11.332 -3.968 5.194 1.00 0.00 C ATOM 1250 C MET A 84 -12.166 -4.971 5.984 1.00 0.00 C ATOM 1251 O MET A 84 -11.911 -5.211 7.165 1.00 0.00 O ATOM 1252 CB MET A 84 -9.845 -4.296 5.340 1.00 0.00 C ATOM 1253 CG MET A 84 -9.340 -5.296 4.312 1.00 0.00 C ATOM 1254 SD MET A 84 -7.556 -5.199 4.067 1.00 0.00 S ATOM 1255 CE MET A 84 -7.409 -3.597 3.279 1.00 0.00 C ATOM 0 H MET A 84 -11.073 -2.325 6.472 1.00 0.00 H new ATOM 0 HA MET A 84 -11.611 -4.039 4.143 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.268 -3.375 5.253 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.665 -4.692 6.339 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.605 -6.304 4.631 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.844 -5.120 3.361 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.110 -3.729 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.369 -3.083 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.658 -3.003 3.800 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.163 -5.553 5.326 1.00 0.00 N ATOM 1266 CA ARG A 85 -14.035 -6.530 5.969 1.00 0.00 C ATOM 1267 C ARG A 85 -13.546 -7.951 5.707 1.00 0.00 C ATOM 1268 O ARG A 85 -12.919 -8.224 4.684 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.471 -6.372 5.464 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.123 -5.065 5.882 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.342 -4.752 5.028 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.236 -3.797 5.678 1.00 0.00 N ATOM 1273 CZ ARG A 85 -18.923 -4.069 6.782 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -18.819 -5.259 7.356 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.716 -3.148 7.314 1.00 0.00 N ATOM 0 H ARG A 85 -13.387 -5.366 4.349 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.012 -6.349 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.474 -6.438 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.071 -7.203 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.417 -5.123 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.400 -4.253 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.018 -4.350 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.885 -5.674 4.821 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.338 -2.871 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.210 -5.969 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.348 -5.464 8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.798 -2.231 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.243 -3.357 8.162 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.836 -8.852 6.639 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.425 -10.246 6.510 1.00 0.00 C ATOM 1291 C ASN A 86 -11.928 -10.347 6.233 1.00 0.00 C ATOM 1292 O ASN A 86 -11.502 -11.043 5.311 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.210 -10.929 5.389 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.675 -11.112 5.737 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -16.017 -11.854 6.658 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.547 -10.435 5.000 1.00 0.00 N ATOM 0 H ASN A 86 -14.354 -8.642 7.492 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.637 -10.751 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.127 -10.336 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.765 -11.902 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.546 -10.518 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.218 -9.831 4.246 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.134 -9.649 7.039 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.684 -9.662 6.882 1.00 0.00 C ATOM 1305 C VAL A 87 -9.115 -11.052 7.146 1.00 0.00 C ATOM 1306 O VAL A 87 -9.673 -11.826 7.924 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.008 -8.654 7.831 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.447 -7.235 7.503 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.320 -8.996 9.280 1.00 0.00 C ATOM 0 H VAL A 87 -11.470 -9.068 7.807 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.474 -9.377 5.851 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.929 -8.716 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.959 -6.537 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.168 -6.996 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.528 -7.154 7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.835 -8.274 9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.398 -8.963 9.438 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.951 -9.997 9.505 1.00 0.00 H new ATOM 1319 N THR A 88 -8.000 -11.362 6.492 1.00 0.00 N ATOM 1320 CA THR A 88 -7.355 -12.659 6.654 1.00 0.00 C ATOM 1321 C THR A 88 -5.849 -12.504 6.839 1.00 0.00 C ATOM 1322 O THR A 88 -5.284 -11.450 6.549 1.00 0.00 O ATOM 1323 CB THR A 88 -7.621 -13.574 5.445 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.269 -12.898 4.232 1.00 0.00 O ATOM 1325 CG2 THR A 88 -9.083 -13.992 5.393 1.00 0.00 C ATOM 0 H THR A 88 -7.525 -10.732 5.845 1.00 0.00 H new ATOM 0 HA THR A 88 -7.783 -13.116 7.546 1.00 0.00 H new ATOM 0 HB THR A 88 -7.008 -14.469 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.440 -13.487 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.246 -14.638 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.340 -14.532 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.712 -13.106 5.307 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.206 -13.562 7.323 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.765 -13.543 7.546 1.00 0.00 C ATOM 1335 C ARG A 89 -3.026 -13.087 6.292 1.00 0.00 C ATOM 1336 O ARG A 89 -1.909 -12.577 6.368 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.274 -14.930 7.964 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.655 -16.031 6.987 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.378 -17.409 7.565 1.00 0.00 C ATOM 1340 NE ARG A 89 -1.950 -17.718 7.585 1.00 0.00 N ATOM 1341 CZ ARG A 89 -1.444 -18.821 8.125 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -2.245 -19.715 8.688 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -0.134 -19.031 8.104 1.00 0.00 N ATOM 0 H ARG A 89 -5.660 -14.442 7.568 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.556 -12.834 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.189 -14.906 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.682 -15.170 8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.712 -15.946 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.096 -15.905 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.775 -17.463 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.903 -18.161 6.976 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.306 -17.050 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.252 -19.557 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.854 -20.561 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.486 -18.345 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.253 -19.878 8.519 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.658 -13.274 5.138 1.00 0.00 N ATOM 1358 CA ASN A 90 -3.060 -12.882 3.866 1.00 0.00 C ATOM 1359 C ASN A 90 -2.987 -11.363 3.744 1.00 0.00 C ATOM 1360 O ASN A 90 -1.953 -10.809 3.372 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.866 -13.461 2.701 1.00 0.00 C ATOM 1362 CG ASN A 90 -4.032 -14.965 2.803 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -5.149 -15.470 2.918 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -2.919 -15.687 2.763 1.00 0.00 N ATOM 0 H ASN A 90 -4.584 -13.694 5.057 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.046 -13.280 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.849 -12.991 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.369 -13.216 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.968 -16.704 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.015 -15.225 2.667 1.00 0.00 H new ATOM 1371 N ASP A 91 -4.091 -10.696 4.061 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.153 -9.241 3.988 1.00 0.00 C ATOM 1373 C ASP A 91 -2.946 -8.611 4.678 1.00 0.00 C ATOM 1374 O ASP A 91 -2.417 -7.597 4.224 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.445 -8.731 4.628 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.647 -8.900 3.720 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.832 -8.055 2.819 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.402 -9.876 3.910 1.00 0.00 O ATOM 0 H ASP A 91 -4.955 -11.140 4.371 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.140 -8.954 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.620 -9.266 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.330 -7.677 4.881 1.00 0.00 H new ATOM 1383 N THR A 92 -2.517 -9.219 5.779 1.00 0.00 N ATOM 1384 CA THR A 92 -1.374 -8.718 6.533 1.00 0.00 C ATOM 1385 C THR A 92 -0.201 -8.408 5.611 1.00 0.00 C ATOM 1386 O THR A 92 0.414 -9.312 5.047 1.00 0.00 O ATOM 1387 CB THR A 92 -0.920 -9.728 7.603 1.00 0.00 C ATOM 1388 OG1 THR A 92 -2.052 -10.209 8.336 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.078 -9.092 8.559 1.00 0.00 C ATOM 0 H THR A 92 -2.944 -10.059 6.169 1.00 0.00 H new ATOM 0 HA THR A 92 -1.697 -7.801 7.025 1.00 0.00 H new ATOM 0 HB THR A 92 -0.434 -10.563 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.346 -11.065 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.384 -9.825 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.952 -8.755 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.386 -8.240 9.056 1.00 0.00 H new ATOM 1397 N GLY A 93 0.106 -7.122 5.463 1.00 0.00 N ATOM 1398 CA GLY A 93 1.207 -6.716 4.609 1.00 0.00 C ATOM 1399 C GLY A 93 1.412 -5.214 4.602 1.00 0.00 C ATOM 1400 O GLY A 93 1.926 -4.647 5.566 1.00 0.00 O ATOM 0 H GLY A 93 -0.388 -6.355 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.122 -7.203 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.019 -7.059 3.591 1.00 0.00 H new ATOM 1404 N SER A 94 1.010 -4.569 3.512 1.00 0.00 N ATOM 1405 CA SER A 94 1.158 -3.124 3.381 1.00 0.00 C ATOM 1406 C SER A 94 0.068 -2.546 2.484 1.00 0.00 C ATOM 1407 O SER A 94 -0.357 -3.179 1.518 1.00 0.00 O ATOM 1408 CB SER A 94 2.537 -2.780 2.815 1.00 0.00 C ATOM 1409 OG SER A 94 3.569 -3.283 3.645 1.00 0.00 O ATOM 0 H SER A 94 0.579 -5.024 2.707 1.00 0.00 H new ATOM 0 HA SER A 94 1.061 -2.682 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.636 -3.197 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.636 -1.699 2.722 1.00 0.00 H new ATOM 0 HG SER A 94 4.355 -3.493 3.099 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.379 -1.338 2.810 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.421 -0.674 2.036 1.00 0.00 C ATOM 1417 C TYR A 95 -1.118 0.813 1.878 1.00 0.00 C ATOM 1418 O TYR A 95 -1.217 1.585 2.833 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.782 -0.860 2.708 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.355 -2.249 2.540 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -3.975 -2.627 1.355 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.279 -3.183 3.565 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -4.501 -3.895 1.196 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -3.800 -4.453 3.416 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.411 -4.804 2.229 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.933 -6.068 2.077 1.00 0.00 O ATOM 0 H TYR A 95 -0.036 -0.799 3.605 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.448 -1.128 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.686 -0.642 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.483 -0.134 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.047 -1.917 0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.804 -2.911 4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.980 -4.172 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.730 -5.167 4.223 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.745 -6.154 2.619 1.00 0.00 H new ATOM 1436 N THR A 96 -0.749 1.210 0.664 1.00 0.00 N ATOM 1437 CA THR A 96 -0.431 2.604 0.380 1.00 0.00 C ATOM 1438 C THR A 96 -1.675 3.377 -0.040 1.00 0.00 C ATOM 1439 O THR A 96 -2.390 2.972 -0.958 1.00 0.00 O ATOM 1440 CB THR A 96 0.632 2.722 -0.730 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.838 2.066 -0.324 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.923 4.181 -1.046 1.00 0.00 C ATOM 0 H THR A 96 -0.663 0.586 -0.138 1.00 0.00 H new ATOM 0 HA THR A 96 -0.034 3.032 1.301 1.00 0.00 H new ATOM 0 HB THR A 96 0.244 2.243 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.667 1.108 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.676 4.240 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.009 4.670 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.293 4.680 -0.151 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.929 4.492 0.636 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.089 5.324 0.333 1.00 0.00 C ATOM 1452 C LEU A 97 -2.657 6.699 -0.166 1.00 0.00 C ATOM 1453 O LEU A 97 -2.104 7.497 0.590 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.973 5.472 1.572 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.107 6.493 1.469 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.636 7.863 1.931 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.635 6.561 0.043 1.00 0.00 C ATOM 0 H LEU A 97 -1.347 4.841 1.398 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.660 4.835 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.407 4.499 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.339 5.746 2.415 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.919 6.172 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.456 8.576 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.307 7.804 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.806 8.192 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.441 7.292 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.830 6.857 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.012 5.582 -0.252 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.915 6.968 -1.442 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.554 8.248 -2.040 1.00 0.00 C ATOM 1471 C GLN A 98 -3.772 9.160 -2.151 1.00 0.00 C ATOM 1472 O GLN A 98 -4.863 8.715 -2.509 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.936 8.033 -3.422 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.907 9.289 -4.278 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.892 9.206 -5.401 1.00 0.00 C ATOM 1476 OE1 GLN A 98 0.241 9.670 -5.265 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -1.293 8.613 -6.520 1.00 0.00 N ATOM 0 H GLN A 98 -3.372 6.317 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.821 8.729 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.918 7.662 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.498 7.259 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.897 9.459 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.677 10.148 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.241 8.243 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.653 8.528 -7.310 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.578 10.438 -1.841 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.660 11.413 -1.907 1.00 0.00 C ATOM 1488 C VAL A 99 -4.347 12.515 -2.913 1.00 0.00 C ATOM 1489 O VAL A 99 -3.330 13.200 -2.801 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.926 12.050 -0.530 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.104 13.009 -0.604 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -5.169 10.974 0.517 1.00 0.00 C ATOM 0 H VAL A 99 -2.682 10.822 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.552 10.875 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.044 12.618 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.277 13.449 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.885 13.799 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.995 12.467 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.355 11.442 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.034 10.376 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.292 10.331 0.588 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.227 12.681 -3.894 1.00 0.00 N ATOM 1503 CA ILE A 100 -5.045 13.701 -4.919 1.00 0.00 C ATOM 1504 C ILE A 100 -5.707 15.013 -4.513 1.00 0.00 C ATOM 1505 O ILE A 100 -6.757 15.019 -3.870 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.620 13.247 -6.274 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.780 12.106 -6.852 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.674 14.417 -7.245 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.224 10.735 -6.392 1.00 0.00 C ATOM 0 H ILE A 100 -6.074 12.122 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.971 13.855 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.635 12.883 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.826 12.147 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.737 12.255 -6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.082 14.080 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.310 15.201 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.668 14.808 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.584 9.976 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.152 10.675 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.257 10.566 -6.697 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.087 16.125 -4.893 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.616 17.445 -4.571 1.00 0.00 C ATOM 1523 C LYS A 101 -6.053 18.178 -5.836 1.00 0.00 C ATOM 1524 O LYS A 101 -5.572 17.888 -6.932 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.565 18.271 -3.827 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.029 17.591 -2.579 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.804 16.746 -2.887 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.520 17.545 -2.725 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.317 16.668 -2.729 1.00 0.00 N ATOM 0 H LYS A 101 -4.217 16.138 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.487 17.314 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.735 18.480 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.000 19.231 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.774 18.345 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.806 16.962 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.781 15.881 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.870 16.365 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.441 18.273 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.557 18.107 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.248 16.850 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.614 15.671 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.256 16.869 -3.573 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.966 19.130 -5.676 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.466 19.907 -6.805 1.00 0.00 C ATOM 1545 C LEU A 102 -6.320 20.580 -7.554 1.00 0.00 C ATOM 1546 O LEU A 102 -6.497 21.069 -8.669 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.463 20.962 -6.321 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.868 20.457 -5.993 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.759 20.518 -7.224 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.811 19.038 -5.444 1.00 0.00 C ATOM 0 H LEU A 102 -7.375 19.382 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.971 19.225 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.053 21.439 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.545 21.733 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.296 21.105 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.755 20.155 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.827 21.548 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.335 19.895 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.820 18.695 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.363 18.378 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.209 19.023 -4.535 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.145 20.598 -6.934 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.969 21.209 -7.543 1.00 0.00 C ATOM 1564 C ASN A 103 -3.206 20.194 -8.389 1.00 0.00 C ATOM 1565 O ASN A 103 -1.986 20.287 -8.539 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.050 21.784 -6.463 1.00 0.00 C ATOM 1567 CG ASN A 103 -3.187 21.055 -5.140 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -4.268 21.006 -4.554 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -2.087 20.485 -4.662 1.00 0.00 N ATOM 0 H ASN A 103 -4.982 20.197 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.305 22.018 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.015 21.726 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.280 22.840 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.117 19.982 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.212 20.551 -5.181 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.931 19.227 -8.940 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.322 18.195 -9.773 1.00 0.00 C ATOM 1578 C LEU A 104 -2.137 17.550 -9.061 1.00 0.00 C ATOM 1579 O LEU A 104 -1.195 17.085 -9.701 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.869 18.790 -11.107 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.948 19.495 -11.929 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.355 20.073 -13.205 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -5.084 18.536 -12.253 1.00 0.00 C ATOM 0 H LEU A 104 -4.940 19.136 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.071 17.426 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.067 19.502 -10.911 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.444 17.990 -11.713 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.351 20.316 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.138 20.571 -13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.577 20.793 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.924 19.270 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.843 19.055 -12.838 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.697 17.694 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.527 18.171 -11.327 1.00 0.00 H new ATOM 1595 N MET A 105 -2.194 17.524 -7.734 1.00 0.00 N ATOM 1596 CA MET A 105 -1.126 16.932 -6.936 1.00 0.00 C ATOM 1597 C MET A 105 -1.578 15.614 -6.315 1.00 0.00 C ATOM 1598 O MET A 105 -2.729 15.207 -6.469 1.00 0.00 O ATOM 1599 CB MET A 105 -0.684 17.901 -5.837 1.00 0.00 C ATOM 1600 CG MET A 105 0.412 18.858 -6.276 1.00 0.00 C ATOM 1601 SD MET A 105 2.055 18.121 -6.184 1.00 0.00 S ATOM 1602 CE MET A 105 2.343 18.154 -4.416 1.00 0.00 C ATOM 0 H MET A 105 -2.967 17.905 -7.189 1.00 0.00 H new ATOM 0 HA MET A 105 -0.282 16.732 -7.596 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.547 18.478 -5.504 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.333 17.328 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.219 19.180 -7.299 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.382 19.750 -5.650 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.302 18.630 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.548 18.717 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.355 17.135 -4.030 1.00 0.00 H new ATOM 1612 N SER A 106 -0.664 14.951 -5.614 1.00 0.00 N ATOM 1613 CA SER A 106 -0.967 13.677 -4.974 1.00 0.00 C ATOM 1614 C SER A 106 -0.105 13.473 -3.732 1.00 0.00 C ATOM 1615 O SER A 106 1.067 13.849 -3.709 1.00 0.00 O ATOM 1616 CB SER A 106 -0.748 12.524 -5.955 1.00 0.00 C ATOM 1617 OG SER A 106 -1.019 12.929 -7.286 1.00 0.00 O ATOM 0 H SER A 106 0.293 15.275 -5.475 1.00 0.00 H new ATOM 0 HA SER A 106 -2.014 13.692 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.280 12.170 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.393 11.687 -5.688 1.00 0.00 H new ATOM 0 HG SER A 106 -0.870 12.175 -7.894 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.694 12.875 -2.701 1.00 0.00 N ATOM 1624 CA GLU A 107 0.020 12.622 -1.455 1.00 0.00 C ATOM 1625 C GLU A 107 0.306 11.133 -1.285 1.00 0.00 C ATOM 1626 O GLU A 107 -0.001 10.328 -2.163 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.790 13.137 -0.263 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.844 14.653 -0.173 1.00 0.00 C ATOM 1629 CD GLU A 107 -1.385 15.139 1.158 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -2.587 14.929 1.421 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -0.606 15.729 1.935 1.00 0.00 O ATOM 0 H GLU A 107 -1.663 12.557 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 107 0.970 13.154 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.806 12.749 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.358 12.742 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.157 15.058 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.469 15.039 -0.978 1.00 0.00 H new ATOM 1638 N GLU A 108 0.897 10.777 -0.149 1.00 0.00 N ATOM 1639 CA GLU A 108 1.226 9.385 0.136 1.00 0.00 C ATOM 1640 C GLU A 108 1.252 9.129 1.640 1.00 0.00 C ATOM 1641 O GLU A 108 1.674 9.983 2.420 1.00 0.00 O ATOM 1642 CB GLU A 108 2.580 9.022 -0.477 1.00 0.00 C ATOM 1643 CG GLU A 108 2.540 8.858 -1.987 1.00 0.00 C ATOM 1644 CD GLU A 108 2.809 10.157 -2.722 1.00 0.00 C ATOM 1645 OE1 GLU A 108 3.461 11.047 -2.137 1.00 0.00 O ATOM 1646 OE2 GLU A 108 2.367 10.283 -3.884 1.00 0.00 O ATOM 0 H GLU A 108 1.158 11.432 0.588 1.00 0.00 H new ATOM 0 HA GLU A 108 0.454 8.758 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.304 9.797 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.935 8.094 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.279 8.115 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.563 8.474 -2.281 1.00 0.00 H new ATOM 1653 N VAL A 109 0.797 7.946 2.041 1.00 0.00 N ATOM 1654 CA VAL A 109 0.767 7.575 3.451 1.00 0.00 C ATOM 1655 C VAL A 109 0.644 6.065 3.620 1.00 0.00 C ATOM 1656 O VAL A 109 -0.391 5.476 3.307 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.400 8.260 4.187 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.687 8.126 3.388 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.565 7.677 5.582 1.00 0.00 C ATOM 0 H VAL A 109 0.444 7.228 1.409 1.00 0.00 H new ATOM 0 HA VAL A 109 1.708 7.910 3.886 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.172 9.321 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.500 8.616 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.560 8.595 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.924 7.071 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.394 8.172 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.771 6.609 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.352 7.831 6.151 1.00 0.00 H new ATOM 1669 N THR A 110 1.708 5.442 4.119 1.00 0.00 N ATOM 1670 CA THR A 110 1.720 4.000 4.330 1.00 0.00 C ATOM 1671 C THR A 110 0.904 3.618 5.559 1.00 0.00 C ATOM 1672 O THR A 110 1.343 3.811 6.692 1.00 0.00 O ATOM 1673 CB THR A 110 3.156 3.469 4.494 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.074 4.309 3.785 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.267 2.041 3.979 1.00 0.00 C ATOM 0 H THR A 110 2.572 5.914 4.384 1.00 0.00 H new ATOM 0 HA THR A 110 1.272 3.547 3.446 1.00 0.00 H new ATOM 0 HB THR A 110 3.403 3.477 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.985 3.965 3.896 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.290 1.687 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.589 1.398 4.540 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.001 2.014 2.922 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.286 3.072 5.329 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.144 2.670 6.428 1.00 0.00 C ATOM 1685 C GLY A 111 -1.661 1.254 6.272 1.00 0.00 C ATOM 1686 O GLY A 111 -2.517 0.989 5.428 1.00 0.00 O ATOM 0 H GLY A 111 -0.671 2.901 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.592 2.751 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.988 3.356 6.496 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.140 0.342 7.087 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.554 -1.055 7.033 1.00 0.00 C ATOM 1692 C GLN A 112 -1.864 -1.585 8.429 1.00 0.00 C ATOM 1693 O GLN A 112 -1.787 -0.851 9.414 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.463 -1.907 6.381 1.00 0.00 C ATOM 1695 CG GLN A 112 0.814 -1.992 7.202 1.00 0.00 C ATOM 1696 CD GLN A 112 1.766 -0.847 6.919 1.00 0.00 C ATOM 1697 OE1 GLN A 112 2.233 -0.676 5.792 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.061 -0.055 7.943 1.00 0.00 N ATOM 0 H GLN A 112 -0.431 0.545 7.792 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.461 -1.116 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.848 -2.914 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.228 -1.493 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.560 -1.995 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.315 -2.937 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.651 -0.233 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.697 0.732 7.813 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.216 -2.864 8.506 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.539 -3.493 9.781 1.00 0.00 C ATOM 1709 C PHE A 113 -1.967 -4.905 9.852 1.00 0.00 C ATOM 1710 O PHE A 113 -1.318 -5.372 8.916 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.056 -3.534 9.984 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.780 -4.321 8.930 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.092 -3.746 7.708 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.149 -5.637 9.160 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.759 -4.468 6.736 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -5.815 -6.364 8.192 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.121 -5.778 6.979 1.00 0.00 C ATOM 0 H PHE A 113 -2.285 -3.485 7.700 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.089 -2.898 10.575 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.272 -3.966 10.961 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.441 -2.514 9.994 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.811 -2.722 7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.913 -6.100 10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.997 -4.008 5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.096 -7.389 8.383 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.643 -6.344 6.222 1.00 0.00 H new ATOM 1727 N SER A 114 -2.212 -5.581 10.970 1.00 0.00 N ATOM 1728 CA SER A 114 -1.718 -6.939 11.166 1.00 0.00 C ATOM 1729 C SER A 114 -2.809 -7.836 11.744 1.00 0.00 C ATOM 1730 O SER A 114 -3.459 -7.487 12.729 1.00 0.00 O ATOM 1731 CB SER A 114 -0.502 -6.933 12.095 1.00 0.00 C ATOM 1732 OG SER A 114 0.563 -6.184 11.536 1.00 0.00 O ATOM 0 H SER A 114 -2.750 -5.211 11.754 1.00 0.00 H new ATOM 0 HA SER A 114 -1.422 -7.335 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.780 -6.511 13.061 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.175 -7.957 12.277 1.00 0.00 H new ATOM 0 HG SER A 114 1.327 -6.194 12.149 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.004 -8.995 11.122 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.015 -9.944 11.574 1.00 0.00 C ATOM 1740 C VAL A 115 -3.379 -11.105 12.329 1.00 0.00 C ATOM 1741 O VAL A 115 -2.309 -11.590 11.959 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.831 -10.499 10.391 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.957 -11.390 10.892 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.377 -9.363 9.540 1.00 0.00 C ATOM 0 H VAL A 115 -2.476 -9.299 10.304 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.683 -9.402 12.244 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.171 -11.103 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.523 -11.773 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.538 -12.224 11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.618 -10.812 11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.951 -9.774 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.023 -8.730 10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.550 -8.770 9.151 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.046 -11.549 13.390 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.547 -12.656 14.199 1.00 0.00 C ATOM 1756 C HIS A 116 -4.632 -13.708 14.408 1.00 0.00 C ATOM 1757 O HIS A 116 -5.732 -13.416 14.878 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.049 -12.144 15.550 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.056 -11.313 16.284 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.935 -11.838 17.208 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.319 -9.987 16.228 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.697 -10.871 17.686 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.343 -9.737 17.108 1.00 0.00 N ATOM 0 H HIS A 116 -4.933 -11.159 13.709 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.716 -13.118 13.666 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.770 -12.995 16.171 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.146 -11.553 15.395 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.817 -9.260 15.607 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.477 -10.987 18.424 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.762 -8.824 17.286 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.318 -14.962 14.051 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.252 -16.083 14.191 1.00 0.00 C ATOM 1774 C PRO A 117 -5.498 -16.455 15.649 1.00 0.00 C ATOM 1775 O PRO A 117 -4.572 -16.471 16.458 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.547 -17.227 13.458 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.098 -16.885 13.527 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.025 -15.383 13.484 1.00 0.00 C ATOM 0 HA PRO A 117 -6.237 -15.845 13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.750 -18.187 13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.887 -17.304 12.425 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -2.649 -17.272 14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.553 -17.326 12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.187 -15.005 14.070 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.894 -15.016 12.466 1.00 0.00 H new