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 98 GLN : amide:sc= -2.17! C(o=-1.9!,f=-2.9!) USER MOD Set 1.2: A 106 SER OG : rot 125:sc= 0.238 USER MOD Set 2.1: A 101 LYS NZ :NH3+ 180:sc= -0.0109 (180deg=-0.0109) USER MOD Set 2.2: A 105 MET CE :methyl -162:sc= -0.0197 (180deg=-0.252) USER MOD Set 3.1: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.27) USER MOD Set 4.1: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.8!) USER MOD Set 5.1: A 63 GLN : amide:sc= -2 K(o=-1.2,f=-4) USER MOD Set 5.2: A 65 THR OG1 : rot -89:sc= 0.83 USER MOD Set 6.1: A 57 TYR OH : rot 180:sc= -0.83 USER MOD Set 6.2: A 62 GLN : amide:sc= 0 X(o=-0.83,f=-0.97) USER MOD Set 7.1: A 60 SER OG : rot 180:sc= -0.349 USER MOD Set 7.2: A 61 ASN : amide:sc= -2 K(o=-2.4,f=-4.4!) USER MOD Set 8.1: A 44 LYS NZ :NH3+ -153:sc= 0.981 (180deg=0.149) USER MOD Set 8.2: A 95 TYR OH : rot -39:sc= 1.14 USER MOD Set 9.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 19 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.0021 X(o=-0.0021,f=-0.28) USER MOD Single : A 32 ASN : amide:sc= 0.475 K(o=0.48,f=-0.61) USER MOD Single : A 35 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.2!) USER MOD Single : A 40 TYR OH : rot -171:sc= 0.293 USER MOD Single : A 41 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.07) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -45:sc= 0.508 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= -0.223 K(o=-0.22,f=-1.3) USER MOD Single : A 81 SER OG : rot 160:sc= -0.158 USER MOD Single : A 84 MET CE :methyl -130:sc= -0.555 (180deg=-1.69!) USER MOD Single : A 86 ASN : amide:sc=-0.00316 X(o=-0.0032,f=-0.35) USER MOD Single : A 92 THR OG1 : rot 93:sc= 0.697 USER MOD Single : A 94 SER OG : rot -161:sc= -3.14! USER MOD Single : A 96 THR OG1 : rot 63:sc= 0.503 USER MOD Single : A 103 ASN : amide:sc= -0.664 X(o=-0.66,f=-1) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.481 15.507 8.622 1.00 0.00 N ATOM 91 CA GLN A 10 1.792 14.713 7.439 1.00 0.00 C ATOM 92 C GLN A 10 0.822 13.545 7.297 1.00 0.00 C ATOM 93 O GLN A 10 0.569 12.814 8.256 1.00 0.00 O ATOM 94 CB GLN A 10 3.229 14.194 7.511 1.00 0.00 C ATOM 95 CG GLN A 10 3.452 13.173 8.615 1.00 0.00 C ATOM 96 CD GLN A 10 4.917 12.834 8.808 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.673 13.607 9.397 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.326 11.672 8.312 1.00 0.00 N ATOM 0 HA GLN A 10 1.689 15.354 6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.493 13.745 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.904 15.036 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.046 13.560 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.900 12.263 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.665 11.062 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.301 11.390 8.412 1.00 0.00 H new ATOM 107 N LEU A 11 0.282 13.373 6.096 1.00 0.00 N ATOM 108 CA LEU A 11 -0.661 12.293 5.828 1.00 0.00 C ATOM 109 C LEU A 11 -0.228 11.007 6.525 1.00 0.00 C ATOM 110 O LEU A 11 0.842 10.465 6.244 1.00 0.00 O ATOM 111 CB LEU A 11 -0.780 12.055 4.321 1.00 0.00 C ATOM 112 CG LEU A 11 -2.084 11.415 3.844 1.00 0.00 C ATOM 113 CD1 LEU A 11 -3.283 12.168 4.400 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.134 11.378 2.323 1.00 0.00 C ATOM 0 H LEU A 11 0.481 13.968 5.292 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.634 12.588 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.660 13.011 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.049 11.421 4.007 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.121 10.391 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.202 11.698 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.255 12.143 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.252 13.203 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.069 10.919 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.075 12.394 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.294 10.794 1.945 1.00 0.00 H new ATOM 126 N THR A 12 -1.067 10.521 7.434 1.00 0.00 N ATOM 127 CA THR A 12 -0.773 9.299 8.170 1.00 0.00 C ATOM 128 C THR A 12 -1.993 8.387 8.234 1.00 0.00 C ATOM 129 O THR A 12 -3.100 8.791 7.877 1.00 0.00 O ATOM 130 CB THR A 12 -0.300 9.606 9.604 1.00 0.00 C ATOM 131 OG1 THR A 12 0.244 8.426 10.204 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.450 10.129 10.452 1.00 0.00 C ATOM 0 H THR A 12 -1.957 10.956 7.678 1.00 0.00 H new ATOM 0 HA THR A 12 0.028 8.792 7.632 1.00 0.00 H new ATOM 0 HB THR A 12 0.471 10.374 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.544 8.630 11.114 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.093 10.339 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.842 11.044 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.240 9.379 10.496 1.00 0.00 H new ATOM 140 N ILE A 13 -1.784 7.158 8.692 1.00 0.00 N ATOM 141 CA ILE A 13 -2.868 6.190 8.804 1.00 0.00 C ATOM 142 C ILE A 13 -2.719 5.341 10.061 1.00 0.00 C ATOM 143 O ILE A 13 -1.652 4.788 10.326 1.00 0.00 O ATOM 144 CB ILE A 13 -2.925 5.263 7.575 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.464 6.021 6.361 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.786 4.044 7.871 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.280 5.281 5.055 1.00 0.00 C ATOM 0 H ILE A 13 -0.874 6.809 8.992 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.795 6.760 8.862 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.915 4.923 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.525 6.221 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.964 6.987 6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.817 3.398 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.362 3.494 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.797 4.365 8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.685 5.878 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.218 5.105 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.804 4.326 5.101 1.00 0.00 H new ATOM 159 N GLU A 14 -3.798 5.240 10.832 1.00 0.00 N ATOM 160 CA GLU A 14 -3.787 4.457 12.062 1.00 0.00 C ATOM 161 C GLU A 14 -4.832 3.346 12.009 1.00 0.00 C ATOM 162 O GLU A 14 -6.033 3.605 12.086 1.00 0.00 O ATOM 163 CB GLU A 14 -4.046 5.359 13.270 1.00 0.00 C ATOM 164 CG GLU A 14 -4.068 4.613 14.594 1.00 0.00 C ATOM 165 CD GLU A 14 -3.843 5.527 15.783 1.00 0.00 C ATOM 166 OE1 GLU A 14 -3.030 6.467 15.662 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.480 5.303 16.833 1.00 0.00 O ATOM 0 H GLU A 14 -4.690 5.690 10.626 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.802 4.001 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.276 6.129 13.309 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.000 5.869 13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.027 4.107 14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.299 3.840 14.584 1.00 0.00 H new ATOM 174 N ALA A 15 -4.366 2.109 11.876 1.00 0.00 N ATOM 175 CA ALA A 15 -5.259 0.959 11.814 1.00 0.00 C ATOM 176 C ALA A 15 -6.157 0.894 13.045 1.00 0.00 C ATOM 177 O ALA A 15 -5.691 1.042 14.175 1.00 0.00 O ATOM 178 CB ALA A 15 -4.456 -0.326 11.676 1.00 0.00 C ATOM 0 H ALA A 15 -3.375 1.878 11.809 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.896 1.072 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.136 -1.177 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.862 -0.287 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.794 -0.436 12.535 1.00 0.00 H new ATOM 184 N VAL A 16 -7.448 0.673 12.819 1.00 0.00 N ATOM 185 CA VAL A 16 -8.412 0.588 13.910 1.00 0.00 C ATOM 186 C VAL A 16 -9.413 -0.538 13.673 1.00 0.00 C ATOM 187 O VAL A 16 -10.270 -0.465 12.792 1.00 0.00 O ATOM 188 CB VAL A 16 -9.178 1.913 14.086 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.203 1.792 15.204 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.211 3.055 14.359 1.00 0.00 C ATOM 0 H VAL A 16 -7.851 0.550 11.890 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.845 0.381 14.818 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.710 2.132 13.160 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.735 2.737 15.314 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.914 1.002 14.962 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.696 1.550 16.138 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.769 3.983 14.481 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.650 2.847 15.270 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.520 3.154 13.522 1.00 0.00 H new ATOM 200 N PRO A 17 -9.304 -1.605 14.478 1.00 0.00 N ATOM 201 CA PRO A 17 -8.287 -1.703 15.530 1.00 0.00 C ATOM 202 C PRO A 17 -6.880 -1.864 14.963 1.00 0.00 C ATOM 203 O PRO A 17 -6.703 -2.036 13.757 1.00 0.00 O ATOM 204 CB PRO A 17 -8.698 -2.958 16.304 1.00 0.00 C ATOM 205 CG PRO A 17 -9.460 -3.778 15.321 1.00 0.00 C ATOM 206 CD PRO A 17 -10.164 -2.799 14.423 1.00 0.00 C ATOM 0 HA PRO A 17 -8.245 -0.802 16.142 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.826 -3.496 16.677 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.311 -2.706 17.169 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.792 -4.422 14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.175 -4.428 15.826 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.256 -3.181 13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.173 -2.584 14.776 1.00 0.00 H new ATOM 214 N SER A 18 -5.884 -1.808 15.840 1.00 0.00 N ATOM 215 CA SER A 18 -4.492 -1.944 15.426 1.00 0.00 C ATOM 216 C SER A 18 -4.164 -3.396 15.094 1.00 0.00 C ATOM 217 O SER A 18 -3.266 -3.675 14.300 1.00 0.00 O ATOM 218 CB SER A 18 -3.558 -1.438 16.528 1.00 0.00 C ATOM 219 OG SER A 18 -2.226 -1.331 16.057 1.00 0.00 O ATOM 0 H SER A 18 -6.014 -1.669 16.842 1.00 0.00 H new ATOM 0 HA SER A 18 -4.345 -1.342 14.530 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.901 -0.466 16.882 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.593 -2.118 17.379 1.00 0.00 H new ATOM 0 HG SER A 18 -1.649 -1.005 16.779 1.00 0.00 H new ATOM 225 N ASN A 19 -4.899 -4.318 15.708 1.00 0.00 N ATOM 226 CA ASN A 19 -4.687 -5.743 15.478 1.00 0.00 C ATOM 227 C ASN A 19 -5.997 -6.515 15.602 1.00 0.00 C ATOM 228 O ASN A 19 -6.501 -6.728 16.704 1.00 0.00 O ATOM 229 CB ASN A 19 -3.662 -6.293 16.472 1.00 0.00 C ATOM 230 CG ASN A 19 -2.249 -5.839 16.156 1.00 0.00 C ATOM 231 OD1 ASN A 19 -1.950 -4.645 16.177 1.00 0.00 O ATOM 232 ND2 ASN A 19 -1.373 -6.792 15.862 1.00 0.00 N ATOM 0 H ASN A 19 -5.646 -4.104 16.368 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.306 -5.870 14.465 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.928 -5.971 17.479 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.701 -7.382 16.465 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.408 -6.547 15.642 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.665 -7.769 15.857 1.00 0.00 H new ATOM 239 N ALA A 20 -6.542 -6.931 14.464 1.00 0.00 N ATOM 240 CA ALA A 20 -7.791 -7.682 14.445 1.00 0.00 C ATOM 241 C ALA A 20 -7.533 -9.174 14.264 1.00 0.00 C ATOM 242 O ALA A 20 -6.387 -9.603 14.130 1.00 0.00 O ATOM 243 CB ALA A 20 -8.701 -7.164 13.341 1.00 0.00 C ATOM 0 H ALA A 20 -6.138 -6.761 13.543 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.286 -7.540 15.406 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.630 -7.734 13.338 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.922 -6.111 13.515 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.204 -7.276 12.377 1.00 0.00 H new ATOM 249 N ALA A 21 -8.605 -9.959 14.262 1.00 0.00 N ATOM 250 CA ALA A 21 -8.493 -11.403 14.097 1.00 0.00 C ATOM 251 C ALA A 21 -9.083 -11.850 12.763 1.00 0.00 C ATOM 252 O ALA A 21 -9.669 -11.050 12.035 1.00 0.00 O ATOM 253 CB ALA A 21 -9.182 -12.121 15.247 1.00 0.00 C ATOM 0 H ALA A 21 -9.560 -9.620 14.373 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.435 -11.663 14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.090 -13.199 15.110 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.714 -11.833 16.188 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.237 -11.846 15.268 1.00 0.00 H new ATOM 259 N GLU A 22 -8.922 -13.132 12.450 1.00 0.00 N ATOM 260 CA GLU A 22 -9.438 -13.683 11.202 1.00 0.00 C ATOM 261 C GLU A 22 -10.952 -13.513 11.117 1.00 0.00 C ATOM 262 O GLU A 22 -11.688 -13.962 11.994 1.00 0.00 O ATOM 263 CB GLU A 22 -9.072 -15.164 11.084 1.00 0.00 C ATOM 264 CG GLU A 22 -7.712 -15.407 10.452 1.00 0.00 C ATOM 265 CD GLU A 22 -7.365 -16.880 10.360 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.663 -17.620 11.322 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.797 -17.294 9.328 1.00 0.00 O ATOM 0 H GLU A 22 -8.439 -13.808 13.042 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.982 -13.136 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.087 -15.613 12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.834 -15.672 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.697 -14.971 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.948 -14.893 11.035 1.00 0.00 H new ATOM 274 N GLY A 23 -11.409 -12.860 10.053 1.00 0.00 N ATOM 275 CA GLY A 23 -12.832 -12.641 9.872 1.00 0.00 C ATOM 276 C GLY A 23 -13.274 -11.273 10.353 1.00 0.00 C ATOM 277 O GLY A 23 -14.338 -10.785 9.970 1.00 0.00 O ATOM 0 H GLY A 23 -10.819 -12.479 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.082 -12.750 8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.386 -13.409 10.412 1.00 0.00 H new ATOM 281 N LYS A 24 -12.457 -10.652 11.196 1.00 0.00 N ATOM 282 CA LYS A 24 -12.768 -9.331 11.731 1.00 0.00 C ATOM 283 C LYS A 24 -12.588 -8.256 10.665 1.00 0.00 C ATOM 284 O LYS A 24 -12.197 -8.549 9.536 1.00 0.00 O ATOM 285 CB LYS A 24 -11.876 -9.024 12.936 1.00 0.00 C ATOM 286 CG LYS A 24 -12.143 -9.919 14.135 1.00 0.00 C ATOM 287 CD LYS A 24 -13.438 -9.543 14.834 1.00 0.00 C ATOM 288 CE LYS A 24 -13.559 -10.227 16.187 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.963 -10.227 16.685 1.00 0.00 N ATOM 0 H LYS A 24 -11.574 -11.042 11.524 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.811 -9.331 12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.832 -9.129 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.022 -7.984 13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.192 -10.958 13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.314 -9.844 14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.481 -8.462 14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.285 -9.821 14.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.202 -11.254 16.108 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.918 -9.721 16.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.004 -10.702 17.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.296 -9.247 16.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.571 -10.732 16.009 1.00 0.00 H new ATOM 303 N GLU A 25 -12.876 -7.011 11.032 1.00 0.00 N ATOM 304 CA GLU A 25 -12.745 -5.893 10.105 1.00 0.00 C ATOM 305 C GLU A 25 -11.751 -4.862 10.633 1.00 0.00 C ATOM 306 O GLU A 25 -11.622 -4.670 11.843 1.00 0.00 O ATOM 307 CB GLU A 25 -14.106 -5.233 9.872 1.00 0.00 C ATOM 308 CG GLU A 25 -14.800 -4.800 11.153 1.00 0.00 C ATOM 309 CD GLU A 25 -14.444 -3.383 11.559 1.00 0.00 C ATOM 310 OE1 GLU A 25 -15.058 -2.439 11.020 1.00 0.00 O ATOM 311 OE2 GLU A 25 -13.551 -3.219 12.416 1.00 0.00 O ATOM 0 H GLU A 25 -13.201 -6.752 11.963 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.371 -6.281 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.973 -4.363 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.751 -5.930 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.879 -4.876 11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.529 -5.484 11.958 1.00 0.00 H new ATOM 318 N VAL A 26 -11.050 -4.201 9.718 1.00 0.00 N ATOM 319 CA VAL A 26 -10.068 -3.190 10.090 1.00 0.00 C ATOM 320 C VAL A 26 -10.319 -1.882 9.348 1.00 0.00 C ATOM 321 O VAL A 26 -10.292 -1.837 8.118 1.00 0.00 O ATOM 322 CB VAL A 26 -8.633 -3.666 9.796 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.628 -2.580 10.147 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.332 -4.949 10.557 1.00 0.00 C ATOM 0 H VAL A 26 -11.144 -4.348 8.713 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.175 -3.024 11.162 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.548 -3.874 8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.620 -2.934 9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.833 -1.689 9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.710 -2.337 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.314 -5.272 10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.433 -4.770 11.627 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.033 -5.726 10.251 1.00 0.00 H new ATOM 334 N LEU A 27 -10.563 -0.817 10.105 1.00 0.00 N ATOM 335 CA LEU A 27 -10.818 0.495 9.520 1.00 0.00 C ATOM 336 C LEU A 27 -9.560 1.357 9.547 1.00 0.00 C ATOM 337 O LEU A 27 -9.141 1.829 10.604 1.00 0.00 O ATOM 338 CB LEU A 27 -11.949 1.199 10.272 1.00 0.00 C ATOM 339 CG LEU A 27 -12.094 2.699 10.015 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.988 2.951 8.811 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.646 3.401 11.247 1.00 0.00 C ATOM 0 H LEU A 27 -10.590 -0.837 11.124 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.115 0.351 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.889 0.713 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.798 1.047 11.341 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.107 3.108 9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.079 4.024 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.551 2.482 7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.975 2.527 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.742 4.468 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.624 2.988 11.493 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.967 3.250 12.086 1.00 0.00 H new ATOM 353 N LEU A 28 -8.965 1.561 8.377 1.00 0.00 N ATOM 354 CA LEU A 28 -7.755 2.369 8.265 1.00 0.00 C ATOM 355 C LEU A 28 -8.094 3.857 8.246 1.00 0.00 C ATOM 356 O LEU A 28 -8.443 4.412 7.203 1.00 0.00 O ATOM 357 CB LEU A 28 -6.983 1.995 6.999 1.00 0.00 C ATOM 358 CG LEU A 28 -6.467 0.557 6.929 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.869 0.271 5.560 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.441 0.304 8.024 1.00 0.00 C ATOM 0 H LEU A 28 -9.300 1.179 7.493 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.132 2.167 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.628 2.171 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.133 2.670 6.903 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.308 -0.118 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.507 -0.757 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.631 0.411 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.040 0.954 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.085 -0.724 7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.601 0.987 7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.901 0.467 8.999 1.00 0.00 H new ATOM 372 N LEU A 29 -7.987 4.497 9.405 1.00 0.00 N ATOM 373 CA LEU A 29 -8.280 5.921 9.522 1.00 0.00 C ATOM 374 C LEU A 29 -7.145 6.760 8.942 1.00 0.00 C ATOM 375 O LEU A 29 -6.004 6.305 8.857 1.00 0.00 O ATOM 376 CB LEU A 29 -8.509 6.297 10.987 1.00 0.00 C ATOM 377 CG LEU A 29 -9.949 6.188 11.490 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.000 6.350 13.001 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.831 7.225 10.811 1.00 0.00 C ATOM 0 H LEU A 29 -7.700 4.053 10.277 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.187 6.127 8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.879 5.660 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.170 7.322 11.136 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.327 5.197 11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.033 6.270 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.401 5.570 13.471 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.603 7.327 13.276 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.852 7.133 11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.454 8.224 11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.820 7.063 9.733 1.00 0.00 H new ATOM 391 N VAL A 30 -7.466 7.988 8.546 1.00 0.00 N ATOM 392 CA VAL A 30 -6.473 8.891 7.977 1.00 0.00 C ATOM 393 C VAL A 30 -6.480 10.237 8.694 1.00 0.00 C ATOM 394 O VAL A 30 -7.540 10.795 8.979 1.00 0.00 O ATOM 395 CB VAL A 30 -6.720 9.122 6.475 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.469 9.674 5.807 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.167 7.831 5.804 1.00 0.00 C ATOM 0 H VAL A 30 -8.406 8.380 8.609 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.501 8.416 8.109 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.517 9.857 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.662 9.831 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.197 10.622 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.650 8.965 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.337 8.013 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.393 7.072 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.091 7.482 6.265 1.00 0.00 H new ATOM 407 N HIS A 31 -5.290 10.754 8.983 1.00 0.00 N ATOM 408 CA HIS A 31 -5.159 12.035 9.667 1.00 0.00 C ATOM 409 C HIS A 31 -4.309 13.003 8.848 1.00 0.00 C ATOM 410 O HIS A 31 -3.706 12.620 7.847 1.00 0.00 O ATOM 411 CB HIS A 31 -4.538 11.839 11.050 1.00 0.00 C ATOM 412 CG HIS A 31 -5.072 10.646 11.782 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.416 10.445 12.015 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.434 9.586 12.332 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.582 9.315 12.678 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.395 8.774 12.883 1.00 0.00 N ATOM 0 H HIS A 31 -4.403 10.305 8.754 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.156 12.460 9.782 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.458 11.736 10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.716 12.732 11.649 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.165 11.071 11.721 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.368 9.412 12.337 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.528 8.903 12.998 1.00 0.00 H new ATOM 425 N ASN A 32 -4.268 14.259 9.281 1.00 0.00 N ATOM 426 CA ASN A 32 -3.493 15.281 8.587 1.00 0.00 C ATOM 427 C ASN A 32 -3.829 15.302 7.099 1.00 0.00 C ATOM 428 O ASN A 32 -2.998 15.674 6.269 1.00 0.00 O ATOM 429 CB ASN A 32 -1.996 15.035 8.781 1.00 0.00 C ATOM 430 CG ASN A 32 -1.582 15.105 10.238 1.00 0.00 C ATOM 431 OD1 ASN A 32 -2.143 15.874 11.018 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.594 14.299 10.612 1.00 0.00 N ATOM 0 H ASN A 32 -4.762 14.593 10.108 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.753 16.250 9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.737 14.056 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.432 15.773 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.272 14.302 11.580 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.157 13.677 9.931 1.00 0.00 H new ATOM 439 N LEU A 33 -5.051 14.899 6.769 1.00 0.00 N ATOM 440 CA LEU A 33 -5.498 14.871 5.380 1.00 0.00 C ATOM 441 C LEU A 33 -5.231 16.208 4.695 1.00 0.00 C ATOM 442 O LEU A 33 -5.074 17.244 5.341 1.00 0.00 O ATOM 443 CB LEU A 33 -6.989 14.538 5.310 1.00 0.00 C ATOM 444 CG LEU A 33 -7.349 13.054 5.375 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.846 12.876 5.578 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.891 12.338 4.113 1.00 0.00 C ATOM 0 H LEU A 33 -5.750 14.587 7.443 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.935 14.097 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.494 15.050 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.389 14.948 4.383 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.833 12.612 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.083 11.813 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.146 13.354 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.383 13.334 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.156 11.283 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.379 12.782 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.810 12.435 4.011 1.00 0.00 H new ATOM 458 N PRO A 34 -5.179 16.187 3.355 1.00 0.00 N ATOM 459 CA PRO A 34 -4.935 17.389 2.553 1.00 0.00 C ATOM 460 C PRO A 34 -6.110 18.360 2.590 1.00 0.00 C ATOM 461 O PRO A 34 -7.208 18.002 3.015 1.00 0.00 O ATOM 462 CB PRO A 34 -4.741 16.838 1.138 1.00 0.00 C ATOM 463 CG PRO A 34 -5.483 15.547 1.129 1.00 0.00 C ATOM 464 CD PRO A 34 -5.357 14.987 2.520 1.00 0.00 C ATOM 0 HA PRO A 34 -4.084 17.960 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.133 17.525 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.685 16.689 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.529 15.700 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.064 14.861 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.245 14.424 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.508 14.309 2.605 1.00 0.00 H new ATOM 472 N GLN A 35 -5.871 19.588 2.143 1.00 0.00 N ATOM 473 CA GLN A 35 -6.911 20.610 2.126 1.00 0.00 C ATOM 474 C GLN A 35 -8.121 20.142 1.325 1.00 0.00 C ATOM 475 O GLN A 35 -9.234 20.073 1.846 1.00 0.00 O ATOM 476 CB GLN A 35 -6.366 21.912 1.536 1.00 0.00 C ATOM 477 CG GLN A 35 -5.698 21.734 0.182 1.00 0.00 C ATOM 478 CD GLN A 35 -4.674 22.813 -0.110 1.00 0.00 C ATOM 479 OE1 GLN A 35 -3.980 23.286 0.791 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.572 23.207 -1.374 1.00 0.00 N ATOM 0 H GLN A 35 -4.967 19.900 1.788 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.226 20.789 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.183 22.627 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.647 22.344 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.213 20.759 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.459 21.740 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.167 22.788 -2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.898 23.929 -1.630 1.00 0.00 H new ATOM 489 N ASP A 36 -7.896 19.823 0.055 1.00 0.00 N ATOM 490 CA ASP A 36 -8.968 19.360 -0.819 1.00 0.00 C ATOM 491 C ASP A 36 -8.548 18.105 -1.576 1.00 0.00 C ATOM 492 O ASP A 36 -7.970 18.169 -2.661 1.00 0.00 O ATOM 493 CB ASP A 36 -9.360 20.460 -1.807 1.00 0.00 C ATOM 494 CG ASP A 36 -9.793 21.736 -1.111 1.00 0.00 C ATOM 495 OD1 ASP A 36 -8.912 22.475 -0.627 1.00 0.00 O ATOM 496 OD2 ASP A 36 -11.014 21.994 -1.050 1.00 0.00 O ATOM 0 H ASP A 36 -6.981 19.877 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.830 19.116 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.515 20.675 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.171 20.102 -2.441 1.00 0.00 H new ATOM 501 N PRO A 37 -8.845 16.934 -0.992 1.00 0.00 N ATOM 502 CA PRO A 37 -8.506 15.641 -1.595 1.00 0.00 C ATOM 503 C PRO A 37 -9.340 15.344 -2.837 1.00 0.00 C ATOM 504 O PRO A 37 -10.329 14.614 -2.772 1.00 0.00 O ATOM 505 CB PRO A 37 -8.827 14.638 -0.484 1.00 0.00 C ATOM 506 CG PRO A 37 -9.856 15.315 0.353 1.00 0.00 C ATOM 507 CD PRO A 37 -9.533 16.782 0.300 1.00 0.00 C ATOM 0 HA PRO A 37 -7.470 15.608 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.204 13.701 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.939 14.396 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.858 15.122 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.829 14.946 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.434 17.394 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.897 17.084 1.132 1.00 0.00 H new ATOM 515 N ARG A 38 -8.933 15.914 -3.966 1.00 0.00 N ATOM 516 CA ARG A 38 -9.644 15.711 -5.223 1.00 0.00 C ATOM 517 C ARG A 38 -10.211 14.297 -5.305 1.00 0.00 C ATOM 518 O ARG A 38 -11.278 14.077 -5.877 1.00 0.00 O ATOM 519 CB ARG A 38 -8.710 15.966 -6.408 1.00 0.00 C ATOM 520 CG ARG A 38 -9.433 16.416 -7.667 1.00 0.00 C ATOM 521 CD ARG A 38 -8.551 16.272 -8.898 1.00 0.00 C ATOM 522 NE ARG A 38 -8.409 14.878 -9.309 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.074 14.505 -10.539 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.849 15.418 -11.474 1.00 0.00 N ATOM 525 NH2 ARG A 38 -7.964 13.217 -10.837 1.00 0.00 N ATOM 0 H ARG A 38 -8.115 16.520 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.472 16.419 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.980 16.725 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.154 15.054 -6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.340 15.826 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.741 17.456 -7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.976 16.850 -9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.566 16.691 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.576 14.151 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.933 16.409 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.592 15.129 -12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.137 12.511 -10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.707 12.932 -11.782 1.00 0.00 H new ATOM 539 N GLY A 39 -9.489 13.341 -4.728 1.00 0.00 N ATOM 540 CA GLY A 39 -9.937 11.960 -4.747 1.00 0.00 C ATOM 541 C GLY A 39 -8.988 11.034 -4.013 1.00 0.00 C ATOM 542 O GLY A 39 -7.804 11.336 -3.865 1.00 0.00 O ATOM 0 H GLY A 39 -8.603 13.498 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.926 11.896 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.038 11.628 -5.780 1.00 0.00 H new ATOM 546 N TYR A 40 -9.509 9.903 -3.549 1.00 0.00 N ATOM 547 CA TYR A 40 -8.701 8.931 -2.823 1.00 0.00 C ATOM 548 C TYR A 40 -8.329 7.753 -3.718 1.00 0.00 C ATOM 549 O TYR A 40 -9.054 7.417 -4.653 1.00 0.00 O ATOM 550 CB TYR A 40 -9.455 8.430 -1.590 1.00 0.00 C ATOM 551 CG TYR A 40 -10.131 9.531 -0.804 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.417 10.642 -0.372 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.483 9.461 -0.494 1.00 0.00 C ATOM 554 CE1 TYR A 40 -10.029 11.650 0.347 1.00 0.00 C ATOM 555 CE2 TYR A 40 -12.105 10.465 0.223 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.374 11.557 0.642 1.00 0.00 C ATOM 557 OH TYR A 40 -11.988 12.560 1.356 1.00 0.00 O ATOM 0 H TYR A 40 -10.487 9.637 -3.663 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.783 9.426 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.206 7.705 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.758 7.904 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.365 10.719 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.058 8.607 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.458 12.506 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.158 10.395 0.454 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.894 12.279 1.602 1.00 0.00 H new ATOM 567 N ASN A 41 -7.192 7.130 -3.424 1.00 0.00 N ATOM 568 CA ASN A 41 -6.722 5.990 -4.201 1.00 0.00 C ATOM 569 C ASN A 41 -5.834 5.083 -3.355 1.00 0.00 C ATOM 570 O ASN A 41 -4.746 5.478 -2.936 1.00 0.00 O ATOM 571 CB ASN A 41 -5.953 6.469 -5.434 1.00 0.00 C ATOM 572 CG ASN A 41 -6.859 6.702 -6.627 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.124 5.787 -7.408 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.340 7.931 -6.773 1.00 0.00 N ATOM 0 H ASN A 41 -6.579 7.396 -2.653 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.592 5.418 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.428 7.393 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.195 5.730 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.956 8.148 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.094 8.658 -6.101 1.00 0.00 H new ATOM 581 N TRP A 42 -6.306 3.866 -3.107 1.00 0.00 N ATOM 582 CA TRP A 42 -5.555 2.903 -2.311 1.00 0.00 C ATOM 583 C TRP A 42 -4.781 1.942 -3.206 1.00 0.00 C ATOM 584 O TRP A 42 -5.068 1.822 -4.398 1.00 0.00 O ATOM 585 CB TRP A 42 -6.499 2.120 -1.397 1.00 0.00 C ATOM 586 CG TRP A 42 -7.042 2.936 -0.263 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.115 3.780 -0.302 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.536 2.988 1.075 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.307 4.353 0.932 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.352 3.883 1.795 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.475 2.364 1.737 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.137 4.168 3.140 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.263 2.648 3.072 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.091 3.543 3.763 1.00 0.00 C ATOM 0 H TRP A 42 -7.205 3.523 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.841 3.454 -1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.330 1.736 -1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.969 1.257 -0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.723 3.969 -1.174 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.042 5.020 1.168 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.832 1.672 1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.773 4.858 3.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.445 2.172 3.592 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.900 3.743 4.807 1.00 0.00 H new ATOM 605 N TYR A 43 -3.801 1.259 -2.626 1.00 0.00 N ATOM 606 CA TYR A 43 -2.984 0.310 -3.373 1.00 0.00 C ATOM 607 C TYR A 43 -2.400 -0.753 -2.448 1.00 0.00 C ATOM 608 O TYR A 43 -2.408 -0.602 -1.226 1.00 0.00 O ATOM 609 CB TYR A 43 -1.857 1.040 -4.105 1.00 0.00 C ATOM 610 CG TYR A 43 -2.335 2.197 -4.952 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.437 3.477 -4.421 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.686 2.012 -6.284 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.874 4.538 -5.190 1.00 0.00 C ATOM 614 CE2 TYR A 43 -3.122 3.067 -7.061 1.00 0.00 C ATOM 615 CZ TYR A 43 -3.215 4.328 -6.510 1.00 0.00 C ATOM 616 OH TYR A 43 -3.651 5.381 -7.281 1.00 0.00 O ATOM 0 H TYR A 43 -3.553 1.345 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.624 -0.183 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.139 1.409 -3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.328 0.330 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.170 3.645 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.617 1.026 -6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.948 5.526 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.389 2.906 -8.095 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.849 5.063 -8.187 1.00 0.00 H new ATOM 626 N LYS A 44 -1.893 -1.830 -3.040 1.00 0.00 N ATOM 627 CA LYS A 44 -1.302 -2.919 -2.271 1.00 0.00 C ATOM 628 C LYS A 44 0.217 -2.917 -2.405 1.00 0.00 C ATOM 629 O LYS A 44 0.756 -3.182 -3.478 1.00 0.00 O ATOM 630 CB LYS A 44 -1.864 -4.263 -2.739 1.00 0.00 C ATOM 631 CG LYS A 44 -1.666 -5.387 -1.736 1.00 0.00 C ATOM 632 CD LYS A 44 -2.550 -6.581 -2.055 1.00 0.00 C ATOM 633 CE LYS A 44 -3.984 -6.350 -1.603 1.00 0.00 C ATOM 634 NZ LYS A 44 -4.207 -6.816 -0.206 1.00 0.00 N ATOM 0 H LYS A 44 -1.880 -1.972 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.557 -2.771 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.929 -4.151 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.388 -4.539 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.621 -5.696 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.891 -5.025 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.532 -6.772 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.152 -7.470 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.221 -5.288 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.665 -6.874 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.207 -7.075 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.609 -7.645 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.962 -6.054 0.458 1.00 0.00 H new ATOM 648 N GLY A 45 0.903 -2.617 -1.306 1.00 0.00 N ATOM 649 CA GLY A 45 2.354 -2.587 -1.322 1.00 0.00 C ATOM 650 C GLY A 45 2.920 -1.441 -0.507 1.00 0.00 C ATOM 651 O GLY A 45 2.202 -0.809 0.267 1.00 0.00 O ATOM 0 H GLY A 45 0.480 -2.394 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.738 -3.530 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.701 -2.502 -2.352 1.00 0.00 H new ATOM 655 N GLU A 46 4.210 -1.174 -0.680 1.00 0.00 N ATOM 656 CA GLU A 46 4.872 -0.098 0.048 1.00 0.00 C ATOM 657 C GLU A 46 5.142 1.092 -0.868 1.00 0.00 C ATOM 658 O GLU A 46 6.062 1.877 -0.632 1.00 0.00 O ATOM 659 CB GLU A 46 6.184 -0.595 0.657 1.00 0.00 C ATOM 660 CG GLU A 46 6.001 -1.349 1.964 1.00 0.00 C ATOM 661 CD GLU A 46 7.260 -1.367 2.808 1.00 0.00 C ATOM 662 OE1 GLU A 46 8.363 -1.266 2.231 1.00 0.00 O ATOM 663 OE2 GLU A 46 7.142 -1.482 4.046 1.00 0.00 O ATOM 0 H GLU A 46 4.818 -1.688 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 46 4.208 0.225 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.685 -1.245 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.841 0.257 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.193 -0.890 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.698 -2.374 1.749 1.00 0.00 H new ATOM 670 N THR A 47 4.335 1.221 -1.916 1.00 0.00 N ATOM 671 CA THR A 47 4.487 2.313 -2.870 1.00 0.00 C ATOM 672 C THR A 47 3.316 2.359 -3.845 1.00 0.00 C ATOM 673 O THR A 47 2.499 1.440 -3.893 1.00 0.00 O ATOM 674 CB THR A 47 5.799 2.185 -3.666 1.00 0.00 C ATOM 675 OG1 THR A 47 5.644 2.770 -4.963 1.00 0.00 O ATOM 676 CG2 THR A 47 6.206 0.725 -3.808 1.00 0.00 C ATOM 0 H THR A 47 3.568 0.582 -2.126 1.00 0.00 H new ATOM 0 HA THR A 47 4.510 3.237 -2.292 1.00 0.00 H new ATOM 0 HB THR A 47 6.582 2.713 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.483 2.686 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.135 0.660 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.352 0.290 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.423 0.178 -4.333 1.00 0.00 H new ATOM 684 N VAL A 48 3.242 3.434 -4.622 1.00 0.00 N ATOM 685 CA VAL A 48 2.171 3.599 -5.599 1.00 0.00 C ATOM 686 C VAL A 48 2.237 2.520 -6.673 1.00 0.00 C ATOM 687 O VAL A 48 3.080 2.571 -7.569 1.00 0.00 O ATOM 688 CB VAL A 48 2.234 4.983 -6.272 1.00 0.00 C ATOM 689 CG1 VAL A 48 1.106 5.138 -7.281 1.00 0.00 C ATOM 690 CG2 VAL A 48 2.181 6.087 -5.227 1.00 0.00 C ATOM 0 H VAL A 48 3.910 4.204 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 48 1.230 3.510 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 48 3.181 5.065 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.167 6.122 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.195 4.368 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.147 5.035 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.227 7.058 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.251 6.010 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.027 5.986 -4.547 1.00 0.00 H new ATOM 700 N ASP A 49 1.341 1.543 -6.578 1.00 0.00 N ATOM 701 CA ASP A 49 1.295 0.451 -7.543 1.00 0.00 C ATOM 702 C ASP A 49 -0.046 0.423 -8.269 1.00 0.00 C ATOM 703 O ASP A 49 -1.033 -0.097 -7.751 1.00 0.00 O ATOM 704 CB ASP A 49 1.537 -0.887 -6.843 1.00 0.00 C ATOM 705 CG ASP A 49 3.008 -1.251 -6.782 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.586 -1.565 -7.843 1.00 0.00 O ATOM 707 OD2 ASP A 49 3.581 -1.221 -5.673 1.00 0.00 O ATOM 0 H ASP A 49 0.637 1.485 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 49 2.083 0.616 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.135 -0.842 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.993 -1.672 -7.368 1.00 0.00 H new ATOM 712 N ALA A 50 -0.074 0.989 -9.472 1.00 0.00 N ATOM 713 CA ALA A 50 -1.293 1.028 -10.269 1.00 0.00 C ATOM 714 C ALA A 50 -1.797 -0.379 -10.572 1.00 0.00 C ATOM 715 O ALA A 50 -3.002 -0.624 -10.600 1.00 0.00 O ATOM 716 CB ALA A 50 -1.053 1.794 -11.562 1.00 0.00 C ATOM 0 H ALA A 50 0.734 1.426 -9.915 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.060 1.543 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.972 1.816 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.747 2.814 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.268 1.302 -12.136 1.00 0.00 H new ATOM 722 N ASN A 51 -0.866 -1.300 -10.799 1.00 0.00 N ATOM 723 CA ASN A 51 -1.216 -2.683 -11.101 1.00 0.00 C ATOM 724 C ASN A 51 -1.939 -3.331 -9.924 1.00 0.00 C ATOM 725 O ASN A 51 -2.736 -4.251 -10.103 1.00 0.00 O ATOM 726 CB ASN A 51 0.040 -3.485 -11.447 1.00 0.00 C ATOM 727 CG ASN A 51 0.523 -3.222 -12.860 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.060 -3.711 -13.828 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.595 -2.448 -12.984 1.00 0.00 N ATOM 0 H ASN A 51 0.137 -1.113 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.887 -2.682 -11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.833 -3.235 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.167 -4.549 -11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.967 -2.237 -13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.046 -2.064 -12.153 1.00 0.00 H new ATOM 736 N ARG A 52 -1.654 -2.843 -8.721 1.00 0.00 N ATOM 737 CA ARG A 52 -2.276 -3.374 -7.514 1.00 0.00 C ATOM 738 C ARG A 52 -3.306 -2.395 -6.957 1.00 0.00 C ATOM 739 O ARG A 52 -3.636 -2.434 -5.772 1.00 0.00 O ATOM 740 CB ARG A 52 -1.213 -3.670 -6.455 1.00 0.00 C ATOM 741 CG ARG A 52 -0.167 -4.675 -6.906 1.00 0.00 C ATOM 742 CD ARG A 52 -0.719 -6.092 -6.907 1.00 0.00 C ATOM 743 NE ARG A 52 0.341 -7.092 -6.815 1.00 0.00 N ATOM 744 CZ ARG A 52 0.140 -8.341 -6.409 1.00 0.00 C ATOM 745 NH1 ARG A 52 -1.076 -8.741 -6.061 1.00 0.00 N ATOM 746 NH2 ARG A 52 1.155 -9.193 -6.352 1.00 0.00 N ATOM 0 H ARG A 52 -0.996 -2.081 -8.556 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.786 -4.301 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.716 -2.739 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.702 -4.046 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.179 -4.417 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.699 -4.621 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.406 -6.214 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.294 -6.256 -7.818 1.00 0.00 H new ATOM 0 HE ARG A 52 1.288 -6.817 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.859 -8.089 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.228 -9.700 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.091 -8.890 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.999 -10.152 -6.040 1.00 0.00 H new ATOM 760 N ARG A 53 -3.810 -1.519 -7.821 1.00 0.00 N ATOM 761 CA ARG A 53 -4.800 -0.529 -7.415 1.00 0.00 C ATOM 762 C ARG A 53 -6.054 -1.207 -6.870 1.00 0.00 C ATOM 763 O ARG A 53 -6.895 -1.684 -7.632 1.00 0.00 O ATOM 764 CB ARG A 53 -5.167 0.370 -8.597 1.00 0.00 C ATOM 765 CG ARG A 53 -6.204 1.429 -8.257 1.00 0.00 C ATOM 766 CD ARG A 53 -6.434 2.377 -9.423 1.00 0.00 C ATOM 767 NE ARG A 53 -7.049 1.704 -10.564 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.742 2.337 -11.504 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.906 3.651 -11.440 1.00 0.00 N ATOM 770 NH2 ARG A 53 -8.272 1.654 -12.512 1.00 0.00 N ATOM 0 H ARG A 53 -3.549 -1.475 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.364 0.081 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.265 0.861 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.545 -0.249 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.144 0.947 -7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.875 1.995 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.072 3.200 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.483 2.813 -9.729 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.940 0.693 -10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.500 4.179 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.439 4.134 -12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.147 0.643 -12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.804 2.140 -13.234 1.00 0.00 H new ATOM 784 N ILE A 54 -6.171 -1.246 -5.547 1.00 0.00 N ATOM 785 CA ILE A 54 -7.321 -1.865 -4.900 1.00 0.00 C ATOM 786 C ILE A 54 -8.622 -1.197 -5.336 1.00 0.00 C ATOM 787 O ILE A 54 -9.515 -1.850 -5.876 1.00 0.00 O ATOM 788 CB ILE A 54 -7.210 -1.794 -3.365 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.946 -2.513 -2.890 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.446 -2.400 -2.716 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.581 -2.208 -1.454 1.00 0.00 C ATOM 0 H ILE A 54 -5.483 -0.856 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.331 -2.911 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.144 -0.747 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.086 -3.588 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.114 -2.232 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.353 -2.343 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.331 -1.849 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.541 -3.443 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.675 -2.752 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.408 -1.138 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.396 -2.515 -0.798 1.00 0.00 H new ATOM 803 N ILE A 55 -8.719 0.106 -5.098 1.00 0.00 N ATOM 804 CA ILE A 55 -9.909 0.863 -5.468 1.00 0.00 C ATOM 805 C ILE A 55 -9.628 2.361 -5.472 1.00 0.00 C ATOM 806 O ILE A 55 -8.776 2.846 -4.729 1.00 0.00 O ATOM 807 CB ILE A 55 -11.081 0.573 -4.511 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.371 1.197 -5.047 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.769 1.101 -3.119 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.619 0.442 -4.646 1.00 0.00 C ATOM 0 H ILE A 55 -7.988 0.660 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.185 0.546 -6.473 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.221 -0.506 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.446 2.223 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.318 1.244 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.606 0.889 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.871 0.615 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.607 2.178 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.495 0.941 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.566 -0.577 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.696 0.418 -3.559 1.00 0.00 H new ATOM 822 N GLY A 56 -10.354 3.092 -6.314 1.00 0.00 N ATOM 823 CA GLY A 56 -10.169 4.529 -6.398 1.00 0.00 C ATOM 824 C GLY A 56 -11.485 5.281 -6.439 1.00 0.00 C ATOM 825 O GLY A 56 -12.396 4.911 -7.181 1.00 0.00 O ATOM 0 H GLY A 56 -11.066 2.714 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.587 4.868 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.590 4.766 -7.291 1.00 0.00 H new ATOM 829 N TYR A 57 -11.586 6.337 -5.640 1.00 0.00 N ATOM 830 CA TYR A 57 -12.801 7.140 -5.586 1.00 0.00 C ATOM 831 C TYR A 57 -12.490 8.616 -5.814 1.00 0.00 C ATOM 832 O TYR A 57 -11.514 9.146 -5.283 1.00 0.00 O ATOM 833 CB TYR A 57 -13.498 6.958 -4.236 1.00 0.00 C ATOM 834 CG TYR A 57 -14.539 8.015 -3.944 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.740 8.045 -4.642 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.322 8.983 -2.972 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.694 9.010 -4.380 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.271 9.950 -2.702 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.455 9.959 -3.408 1.00 0.00 C ATOM 840 OH TYR A 57 -17.402 10.921 -3.143 1.00 0.00 O ATOM 0 H TYR A 57 -10.841 6.657 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.466 6.800 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.972 5.977 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.748 6.970 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.931 7.302 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.395 8.980 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.621 9.021 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.086 10.695 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.078 11.511 -2.431 1.00 0.00 H new ATOM 850 N VAL A 58 -13.327 9.275 -6.609 1.00 0.00 N ATOM 851 CA VAL A 58 -13.144 10.690 -6.908 1.00 0.00 C ATOM 852 C VAL A 58 -14.272 11.527 -6.316 1.00 0.00 C ATOM 853 O VAL A 58 -15.435 11.374 -6.689 1.00 0.00 O ATOM 854 CB VAL A 58 -13.078 10.939 -8.427 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.572 12.344 -8.716 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.197 9.897 -9.099 1.00 0.00 C ATOM 0 H VAL A 58 -14.139 8.851 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.198 10.989 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.084 10.850 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.532 12.502 -9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.247 13.073 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.574 12.465 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.161 10.088 -10.172 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.189 9.952 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.608 8.903 -8.921 1.00 0.00 H new ATOM 866 N ILE A 59 -13.919 12.413 -5.390 1.00 0.00 N ATOM 867 CA ILE A 59 -14.902 13.277 -4.747 1.00 0.00 C ATOM 868 C ILE A 59 -15.459 14.302 -5.728 1.00 0.00 C ATOM 869 O ILE A 59 -16.628 14.681 -5.649 1.00 0.00 O ATOM 870 CB ILE A 59 -14.297 14.015 -3.539 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.789 13.012 -2.502 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.326 14.950 -2.919 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.725 13.575 -1.586 1.00 0.00 C ATOM 0 H ILE A 59 -12.961 12.551 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.710 12.633 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.453 14.612 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.630 12.667 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.388 12.140 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.883 15.464 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.644 15.683 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.189 14.373 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.412 12.808 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.867 13.894 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.128 14.429 -1.042 1.00 0.00 H new ATOM 885 N SER A 60 -14.615 14.746 -6.654 1.00 0.00 N ATOM 886 CA SER A 60 -15.023 15.730 -7.651 1.00 0.00 C ATOM 887 C SER A 60 -16.413 15.410 -8.193 1.00 0.00 C ATOM 888 O SER A 60 -17.290 16.272 -8.229 1.00 0.00 O ATOM 889 CB SER A 60 -14.013 15.772 -8.799 1.00 0.00 C ATOM 890 OG SER A 60 -14.361 14.852 -9.819 1.00 0.00 O ATOM 0 H SER A 60 -13.645 14.440 -6.735 1.00 0.00 H new ATOM 0 HA SER A 60 -15.056 16.707 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.970 16.779 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.018 15.540 -8.420 1.00 0.00 H new ATOM 0 HG SER A 60 -13.701 14.900 -10.542 1.00 0.00 H new ATOM 896 N ASN A 61 -16.605 14.164 -8.614 1.00 0.00 N ATOM 897 CA ASN A 61 -17.887 13.730 -9.155 1.00 0.00 C ATOM 898 C ASN A 61 -18.366 12.457 -8.464 1.00 0.00 C ATOM 899 O ASN A 61 -19.238 11.753 -8.973 1.00 0.00 O ATOM 900 CB ASN A 61 -17.775 13.493 -10.663 1.00 0.00 C ATOM 901 CG ASN A 61 -17.090 12.181 -10.992 1.00 0.00 C ATOM 902 OD1 ASN A 61 -17.697 11.280 -11.572 1.00 0.00 O ATOM 903 ND2 ASN A 61 -15.820 12.067 -10.623 1.00 0.00 N ATOM 0 H ASN A 61 -15.889 13.438 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.616 14.519 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -18.772 13.500 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -17.220 14.314 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.307 11.207 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.357 12.839 -10.144 1.00 0.00 H new ATOM 910 N GLN A 62 -17.790 12.169 -7.301 1.00 0.00 N ATOM 911 CA GLN A 62 -18.158 10.981 -6.541 1.00 0.00 C ATOM 912 C GLN A 62 -18.141 9.739 -7.427 1.00 0.00 C ATOM 913 O GLN A 62 -19.122 9.000 -7.493 1.00 0.00 O ATOM 914 CB GLN A 62 -19.544 11.157 -5.917 1.00 0.00 C ATOM 915 CG GLN A 62 -19.616 12.291 -4.907 1.00 0.00 C ATOM 916 CD GLN A 62 -20.761 12.126 -3.926 1.00 0.00 C ATOM 917 OE1 GLN A 62 -20.882 11.095 -3.264 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.607 13.144 -3.828 1.00 0.00 N ATOM 0 H GLN A 62 -17.067 12.742 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.423 10.848 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.270 11.341 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.834 10.227 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.676 12.343 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.729 13.237 -5.436 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.468 13.979 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.396 13.091 -3.184 1.00 0.00 H new ATOM 927 N GLN A 63 -17.019 9.519 -8.106 1.00 0.00 N ATOM 928 CA GLN A 63 -16.876 8.368 -8.989 1.00 0.00 C ATOM 929 C GLN A 63 -16.117 7.241 -8.295 1.00 0.00 C ATOM 930 O GLN A 63 -15.225 7.488 -7.483 1.00 0.00 O ATOM 931 CB GLN A 63 -16.150 8.771 -10.274 1.00 0.00 C ATOM 932 CG GLN A 63 -15.658 7.588 -11.092 1.00 0.00 C ATOM 933 CD GLN A 63 -16.761 6.598 -11.408 1.00 0.00 C ATOM 934 OE1 GLN A 63 -17.946 6.919 -11.313 1.00 0.00 O ATOM 935 NE2 GLN A 63 -16.376 5.385 -11.788 1.00 0.00 N ATOM 0 H GLN A 63 -16.197 10.122 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.874 8.009 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.821 9.372 -10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.300 9.404 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.223 7.951 -12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.864 7.079 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.383 5.162 -11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.074 4.676 -12.015 1.00 0.00 H new ATOM 944 N ILE A 64 -16.478 6.004 -8.620 1.00 0.00 N ATOM 945 CA ILE A 64 -15.830 4.840 -8.029 1.00 0.00 C ATOM 946 C ILE A 64 -15.452 3.819 -9.097 1.00 0.00 C ATOM 947 O ILE A 64 -16.304 3.346 -9.849 1.00 0.00 O ATOM 948 CB ILE A 64 -16.737 4.161 -6.985 1.00 0.00 C ATOM 949 CG1 ILE A 64 -17.015 5.115 -5.821 1.00 0.00 C ATOM 950 CG2 ILE A 64 -16.096 2.877 -6.482 1.00 0.00 C ATOM 951 CD1 ILE A 64 -18.021 4.580 -4.827 1.00 0.00 C ATOM 0 H ILE A 64 -17.215 5.782 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.926 5.198 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.686 3.909 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.080 5.324 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.378 6.063 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.749 2.409 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.944 2.194 -7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.135 3.106 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.168 5.309 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.970 4.398 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.651 3.647 -4.402 1.00 0.00 H new ATOM 963 N THR A 65 -14.167 3.482 -9.157 1.00 0.00 N ATOM 964 CA THR A 65 -13.675 2.517 -10.132 1.00 0.00 C ATOM 965 C THR A 65 -12.733 1.510 -9.482 1.00 0.00 C ATOM 966 O THR A 65 -11.570 1.802 -9.203 1.00 0.00 O ATOM 967 CB THR A 65 -12.940 3.216 -11.292 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.784 4.214 -11.876 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.526 2.209 -12.354 1.00 0.00 C ATOM 0 H THR A 65 -13.449 3.863 -8.542 1.00 0.00 H new ATOM 0 HA THR A 65 -14.546 1.993 -10.526 1.00 0.00 H new ATOM 0 HB THR A 65 -12.043 3.689 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.321 3.811 -12.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.009 2.725 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.860 1.468 -11.912 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.412 1.712 -12.749 1.00 0.00 H new ATOM 977 N PRO A 66 -13.245 0.295 -9.234 1.00 0.00 N ATOM 978 CA PRO A 66 -12.465 -0.781 -8.615 1.00 0.00 C ATOM 979 C PRO A 66 -11.380 -1.318 -9.542 1.00 0.00 C ATOM 980 O PRO A 66 -11.592 -1.456 -10.746 1.00 0.00 O ATOM 981 CB PRO A 66 -13.512 -1.861 -8.334 1.00 0.00 C ATOM 982 CG PRO A 66 -14.592 -1.611 -9.330 1.00 0.00 C ATOM 983 CD PRO A 66 -14.623 -0.122 -9.541 1.00 0.00 C ATOM 0 HA PRO A 66 -11.935 -0.441 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.091 -2.860 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.890 -1.790 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.390 -2.134 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.552 -1.973 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.902 0.133 -10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.345 0.362 -8.884 1.00 0.00 H new ATOM 991 N GLY A 67 -10.218 -1.621 -8.972 1.00 0.00 N ATOM 992 CA GLY A 67 -9.117 -2.141 -9.763 1.00 0.00 C ATOM 993 C GLY A 67 -9.004 -3.650 -9.678 1.00 0.00 C ATOM 994 O GLY A 67 -9.935 -4.341 -9.264 1.00 0.00 O ATOM 0 H GLY A 67 -10.019 -1.516 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.252 -1.848 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.185 -1.690 -9.423 1.00 0.00 H new ATOM 998 N PRO A 68 -7.841 -4.184 -10.079 1.00 0.00 N ATOM 999 CA PRO A 68 -7.582 -5.626 -10.057 1.00 0.00 C ATOM 1000 C PRO A 68 -7.455 -6.171 -8.638 1.00 0.00 C ATOM 1001 O PRO A 68 -7.693 -7.353 -8.393 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.252 -5.760 -10.802 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.584 -4.440 -10.625 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.688 -3.419 -10.585 1.00 0.00 C ATOM 0 HA PRO A 68 -8.397 -6.193 -10.507 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.647 -6.568 -10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.410 -5.986 -11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.999 -4.419 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.895 -4.238 -11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.440 -2.584 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.885 -3.001 -11.572 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.079 -5.300 -7.707 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.923 -5.694 -6.312 1.00 0.00 C ATOM 1014 C ALA A 69 -8.225 -5.505 -5.540 1.00 0.00 C ATOM 1015 O ALA A 69 -8.212 -5.147 -4.362 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.801 -4.898 -5.662 1.00 0.00 C ATOM 0 H ALA A 69 -6.877 -4.318 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.665 -6.753 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.695 -5.202 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.867 -5.086 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.036 -3.835 -5.707 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.345 -5.747 -6.210 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.656 -5.601 -5.587 1.00 0.00 C ATOM 1024 C TYR A 70 -11.404 -6.930 -5.575 1.00 0.00 C ATOM 1025 O TYR A 70 -11.411 -7.661 -6.565 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.480 -4.545 -6.326 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.733 -4.131 -5.590 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.694 -3.806 -4.239 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.957 -4.064 -6.244 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.838 -3.428 -3.562 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -15.105 -3.686 -5.576 1.00 0.00 C ATOM 1032 CZ TYR A 70 -15.040 -3.369 -4.235 1.00 0.00 C ATOM 1033 OH TYR A 70 -16.181 -2.991 -3.564 1.00 0.00 O ATOM 0 H TYR A 70 -9.372 -6.045 -7.185 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.507 -5.280 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.860 -3.665 -6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.756 -4.932 -7.307 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.754 -3.850 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.012 -4.312 -7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.791 -3.180 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.048 -3.639 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.942 -3.000 -4.182 1.00 0.00 H new ATOM 1043 N SER A 71 -12.035 -7.236 -4.446 1.00 0.00 N ATOM 1044 CA SER A 71 -12.785 -8.478 -4.301 1.00 0.00 C ATOM 1045 C SER A 71 -14.151 -8.218 -3.673 1.00 0.00 C ATOM 1046 O SER A 71 -14.783 -9.127 -3.137 1.00 0.00 O ATOM 1047 CB SER A 71 -12.000 -9.476 -3.448 1.00 0.00 C ATOM 1048 OG SER A 71 -12.584 -10.766 -3.505 1.00 0.00 O ATOM 0 H SER A 71 -12.042 -6.640 -3.618 1.00 0.00 H new ATOM 0 HA SER A 71 -12.936 -8.900 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.968 -9.525 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.971 -9.132 -2.414 1.00 0.00 H new ATOM 0 HG SER A 71 -13.555 -10.690 -3.399 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.599 -6.969 -3.743 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.890 -6.587 -3.181 1.00 0.00 C ATOM 1056 C ASN A 72 -15.908 -6.798 -1.670 1.00 0.00 C ATOM 1057 O ASN A 72 -16.886 -7.301 -1.115 1.00 0.00 O ATOM 1058 CB ASN A 72 -17.013 -7.396 -3.833 1.00 0.00 C ATOM 1059 CG ASN A 72 -18.330 -6.645 -3.853 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -18.413 -5.503 -3.400 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -19.368 -7.284 -4.378 1.00 0.00 N ATOM 0 H ASN A 72 -14.088 -6.204 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.049 -5.528 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.728 -7.651 -4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.141 -8.335 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.280 -6.829 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.254 -8.230 -4.742 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.822 -6.408 -1.010 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.713 -6.555 0.436 1.00 0.00 C ATOM 1070 C ARG A 73 -14.326 -5.231 1.089 1.00 0.00 C ATOM 1071 O ARG A 73 -14.758 -4.927 2.200 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.681 -7.629 0.785 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.043 -9.012 0.269 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.378 -10.105 1.091 1.00 0.00 C ATOM 1075 NE ARG A 73 -11.942 -10.186 0.833 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.070 -10.701 1.692 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.484 -11.178 2.857 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.779 -10.740 1.386 1.00 0.00 N ATOM 0 H ARG A 73 -14.005 -5.988 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.687 -6.859 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.714 -7.339 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.567 -7.673 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.125 -9.141 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.739 -9.104 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.546 -9.914 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.842 -11.064 0.862 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.590 -9.828 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.475 -11.150 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.811 -11.573 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.456 -10.374 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.110 -11.136 2.047 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.510 -4.449 0.390 1.00 0.00 N ATOM 1093 CA GLU A 74 -13.064 -3.159 0.903 1.00 0.00 C ATOM 1094 C GLU A 74 -14.044 -2.053 0.521 1.00 0.00 C ATOM 1095 O GLU A 74 -14.793 -2.178 -0.449 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.670 -2.826 0.368 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.565 -3.671 0.980 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.546 -5.087 0.438 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -9.997 -5.292 -0.665 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -11.079 -5.990 1.116 1.00 0.00 O ATOM 0 H GLU A 74 -13.144 -4.686 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.022 -3.225 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.663 -2.962 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.459 -1.774 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.602 -3.199 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.693 -3.702 2.062 1.00 0.00 H new ATOM 1107 N THR A 75 -14.035 -0.970 1.291 1.00 0.00 N ATOM 1108 CA THR A 75 -14.923 0.157 1.036 1.00 0.00 C ATOM 1109 C THR A 75 -14.259 1.477 1.414 1.00 0.00 C ATOM 1110 O THR A 75 -13.858 1.675 2.561 1.00 0.00 O ATOM 1111 CB THR A 75 -16.244 0.019 1.816 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.939 -1.161 1.397 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.129 1.238 1.602 1.00 0.00 C ATOM 0 H THR A 75 -13.422 -0.849 2.097 1.00 0.00 H new ATOM 0 HA THR A 75 -15.138 0.154 -0.033 1.00 0.00 H new ATOM 0 HB THR A 75 -16.008 -0.056 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.777 -1.243 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.056 1.118 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.609 2.131 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.357 1.340 0.541 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.147 2.376 0.442 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.533 3.678 0.674 1.00 0.00 C ATOM 1123 C ILE A 76 -14.407 4.545 1.573 1.00 0.00 C ATOM 1124 O ILE A 76 -15.567 4.220 1.831 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.279 4.424 -0.649 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -13.072 3.426 -1.791 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -12.073 5.342 -0.516 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.345 3.089 -2.536 1.00 0.00 C ATOM 0 H ILE A 76 -14.473 2.227 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.579 3.494 1.167 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.152 5.034 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.347 3.836 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.643 2.509 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.906 5.862 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.256 6.071 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.192 4.751 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.124 2.377 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.065 2.650 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.765 3.997 -2.969 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.844 5.651 2.047 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.572 6.566 2.919 1.00 0.00 C ATOM 1142 C TYR A 77 -14.311 8.017 2.525 1.00 0.00 C ATOM 1143 O TYR A 77 -13.346 8.334 1.829 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.170 6.342 4.378 1.00 0.00 C ATOM 1145 CG TYR A 77 -15.001 5.292 5.080 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.898 3.951 4.735 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.889 5.643 6.091 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.657 2.989 5.374 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.650 4.688 6.736 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.531 3.362 6.374 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.286 2.407 7.014 1.00 0.00 O ATOM 0 H TYR A 77 -12.886 5.936 1.842 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.637 6.364 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.121 6.049 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.257 7.284 4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.213 3.655 3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.985 6.680 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.566 1.950 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.335 4.978 7.520 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.849 2.835 7.692 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.192 8.920 2.981 1.00 0.00 N ATOM 1162 CA PRO A 78 -15.079 10.352 2.691 1.00 0.00 C ATOM 1163 C PRO A 78 -13.897 10.998 3.407 1.00 0.00 C ATOM 1164 O PRO A 78 -13.693 12.207 3.321 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.398 10.925 3.214 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.837 9.967 4.267 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.365 8.612 3.816 1.00 0.00 C ATOM 0 HA PRO A 78 -14.907 10.540 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.260 11.926 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.138 11.005 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.409 10.227 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.921 9.984 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.101 7.977 4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.134 8.086 3.250 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.122 10.181 4.114 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.960 10.674 4.845 1.00 0.00 C ATOM 1177 C ASN A 79 -10.689 9.963 4.390 1.00 0.00 C ATOM 1178 O ASN A 79 -9.715 9.873 5.136 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.157 10.475 6.350 1.00 0.00 C ATOM 1180 CG ASN A 79 -11.443 11.532 7.170 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -11.551 12.727 6.893 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -10.710 11.095 8.188 1.00 0.00 N ATOM 0 H ASN A 79 -13.277 9.176 4.196 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.855 11.739 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.222 10.498 6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.790 9.489 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.208 11.759 8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.649 10.095 8.381 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.708 9.461 3.159 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.557 8.761 2.603 1.00 0.00 C ATOM 1191 C ALA A 80 -9.258 7.486 3.384 1.00 0.00 C ATOM 1192 O ALA A 80 -8.125 7.005 3.398 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.339 9.673 2.592 1.00 0.00 C ATOM 0 H ALA A 80 -11.507 9.526 2.529 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.796 8.479 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.487 9.137 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.548 10.552 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.108 9.984 3.611 1.00 0.00 H new ATOM 1199 N SER A 81 -10.282 6.943 4.036 1.00 0.00 N ATOM 1200 CA SER A 81 -10.129 5.726 4.824 1.00 0.00 C ATOM 1201 C SER A 81 -10.666 4.517 4.066 1.00 0.00 C ATOM 1202 O SER A 81 -11.552 4.643 3.219 1.00 0.00 O ATOM 1203 CB SER A 81 -10.854 5.866 6.164 1.00 0.00 C ATOM 1204 OG SER A 81 -10.411 7.014 6.866 1.00 0.00 O ATOM 0 H SER A 81 -11.227 7.327 4.034 1.00 0.00 H new ATOM 0 HA SER A 81 -9.066 5.574 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.929 5.932 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.681 4.976 6.769 1.00 0.00 H new ATOM 0 HG SER A 81 -11.080 7.266 7.536 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.123 3.344 4.375 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.547 2.109 3.723 1.00 0.00 C ATOM 1212 C LEU A 82 -10.903 1.044 4.755 1.00 0.00 C ATOM 1213 O LEU A 82 -10.067 0.649 5.569 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.443 1.592 2.799 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.780 0.343 1.985 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.456 0.724 0.677 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.525 -0.476 1.720 1.00 0.00 C ATOM 0 H LEU A 82 -9.389 3.222 5.072 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.436 2.326 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.172 2.390 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.561 1.381 3.403 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.473 -0.268 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.688 -0.178 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.377 1.267 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.788 1.357 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.784 -1.361 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.808 0.127 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.082 -0.781 2.668 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.147 0.581 4.714 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.614 -0.442 5.644 1.00 0.00 C ATOM 1231 C LEU A 83 -12.410 -1.838 5.065 1.00 0.00 C ATOM 1232 O LEU A 83 -12.961 -2.173 4.017 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.092 -0.224 5.973 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.805 -1.389 6.660 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.516 -1.387 8.153 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.304 -1.322 6.405 1.00 0.00 C ATOM 0 H LEU A 83 -12.851 0.897 4.047 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.029 -0.360 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.176 0.655 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.620 0.004 5.047 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.426 -2.320 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.032 -2.223 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.443 -1.484 8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.866 -0.452 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.795 -2.159 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.698 -0.385 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.493 -1.374 5.333 1.00 0.00 H new ATOM 1248 N MET A 84 -11.617 -2.650 5.757 1.00 0.00 N ATOM 1249 CA MET A 84 -11.344 -4.012 5.312 1.00 0.00 C ATOM 1250 C MET A 84 -12.152 -5.021 6.123 1.00 0.00 C ATOM 1251 O MET A 84 -11.961 -5.155 7.332 1.00 0.00 O ATOM 1252 CB MET A 84 -9.851 -4.321 5.434 1.00 0.00 C ATOM 1253 CG MET A 84 -9.351 -5.322 4.405 1.00 0.00 C ATOM 1254 SD MET A 84 -7.576 -5.192 4.114 1.00 0.00 S ATOM 1255 CE MET A 84 -7.456 -3.516 3.493 1.00 0.00 C ATOM 0 H MET A 84 -11.153 -2.389 6.627 1.00 0.00 H new ATOM 0 HA MET A 84 -11.640 -4.092 4.266 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.287 -3.394 5.331 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.649 -4.708 6.433 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.587 -6.332 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.882 -5.167 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.879 -3.511 2.568 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.456 -3.127 3.299 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.960 -2.888 4.233 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.055 -5.727 5.450 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.892 -6.722 6.109 1.00 0.00 C ATOM 1267 C ARG A 85 -13.365 -8.131 5.854 1.00 0.00 C ATOM 1268 O ARG A 85 -12.763 -8.400 4.816 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.337 -6.609 5.617 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.166 -5.597 6.390 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.439 -5.232 5.643 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.528 -6.162 5.932 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.712 -6.116 5.331 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -19.958 -5.191 4.413 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -20.653 -6.996 5.648 1.00 0.00 N ATOM 0 H ARG A 85 -13.225 -5.628 4.449 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.864 -6.531 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.332 -6.333 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.814 -7.587 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.421 -6.005 7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.575 -4.698 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.743 -4.222 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.242 -5.227 4.571 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.371 -6.886 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.237 -4.513 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.868 -5.158 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.468 -7.709 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -21.562 -6.960 5.186 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.596 -9.025 6.809 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.144 -10.407 6.689 1.00 0.00 C ATOM 1291 C ASN A 86 -11.628 -10.470 6.524 1.00 0.00 C ATOM 1292 O ASN A 86 -11.119 -11.123 5.613 1.00 0.00 O ATOM 1293 CB ASN A 86 -13.826 -11.087 5.500 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.178 -11.669 5.865 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -15.296 -12.446 6.813 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.206 -11.296 5.112 1.00 0.00 N ATOM 0 H ASN A 86 -14.094 -8.818 7.675 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.415 -10.933 7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.950 -10.364 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.182 -11.880 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.140 -11.656 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.062 -10.650 4.336 1.00 0.00 H new ATOM 1303 N VAL A 87 -10.913 -9.788 7.413 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.456 -9.768 7.368 1.00 0.00 C ATOM 1305 C VAL A 87 -8.877 -11.142 7.686 1.00 0.00 C ATOM 1306 O VAL A 87 -9.295 -11.798 8.641 1.00 0.00 O ATOM 1307 CB VAL A 87 -8.878 -8.738 8.356 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.358 -7.337 8.010 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.254 -9.102 9.785 1.00 0.00 C ATOM 0 H VAL A 87 -11.319 -9.242 8.173 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.175 -9.485 6.354 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.791 -8.753 8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.939 -6.623 8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.033 -7.080 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.446 -7.302 8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.837 -8.364 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.339 -9.116 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.855 -10.087 10.027 1.00 0.00 H new ATOM 1319 N THR A 88 -7.911 -11.572 6.880 1.00 0.00 N ATOM 1320 CA THR A 88 -7.275 -12.869 7.075 1.00 0.00 C ATOM 1321 C THR A 88 -5.767 -12.721 7.247 1.00 0.00 C ATOM 1322 O THR A 88 -5.184 -11.711 6.852 1.00 0.00 O ATOM 1323 CB THR A 88 -7.555 -13.816 5.892 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.222 -13.170 4.658 1.00 0.00 O ATOM 1325 CG2 THR A 88 -9.016 -14.237 5.871 1.00 0.00 C ATOM 0 H THR A 88 -7.552 -11.041 6.086 1.00 0.00 H new ATOM 0 HA THR A 88 -7.702 -13.297 7.982 1.00 0.00 H new ATOM 0 HB THR A 88 -6.938 -14.706 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.401 -13.779 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.190 -14.905 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.259 -14.754 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.648 -13.354 5.771 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.142 -13.734 7.837 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.701 -13.716 8.061 1.00 0.00 C ATOM 1335 C ARG A 89 -2.964 -13.224 6.819 1.00 0.00 C ATOM 1336 O ARG A 89 -1.926 -12.572 6.919 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.205 -15.112 8.443 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.703 -15.585 9.799 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.070 -16.911 10.193 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.552 -18.014 9.366 1.00 0.00 N ATOM 1341 CZ ARG A 89 -3.049 -19.243 9.414 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -2.055 -19.523 10.246 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -3.540 -20.194 8.630 1.00 0.00 N ATOM 0 H ARG A 89 -5.610 -14.577 8.169 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.495 -13.028 8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.523 -15.823 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.115 -15.113 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.475 -14.833 10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.787 -15.692 9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.986 -16.837 10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.289 -17.120 11.240 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.317 -17.831 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.675 -18.794 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.670 -20.467 10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.305 -19.982 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.153 -21.137 8.668 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.508 -13.543 5.649 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.901 -13.135 4.388 1.00 0.00 C ATOM 1359 C ASN A 90 -2.902 -11.616 4.250 1.00 0.00 C ATOM 1360 O ASN A 90 -1.880 -11.011 3.927 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.649 -13.766 3.211 1.00 0.00 C ATOM 1362 CG ASN A 90 -4.006 -15.218 3.464 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -5.181 -15.576 3.537 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -2.989 -16.062 3.599 1.00 0.00 N ATOM 0 H ASN A 90 -4.368 -14.083 5.548 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.868 -13.482 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.560 -13.199 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.034 -13.697 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.167 -17.052 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.030 -15.720 3.531 1.00 0.00 H new ATOM 1371 N ASP A 91 -4.056 -11.006 4.497 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.190 -9.557 4.403 1.00 0.00 C ATOM 1373 C ASP A 91 -2.964 -8.858 4.982 1.00 0.00 C ATOM 1374 O ASP A 91 -2.454 -7.896 4.408 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.450 -9.091 5.134 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.710 -9.327 4.324 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.723 -10.274 3.509 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.683 -8.566 4.505 1.00 0.00 O ATOM 0 H ASP A 91 -4.912 -11.492 4.764 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.272 -9.293 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.530 -9.616 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.362 -8.029 5.363 1.00 0.00 H new ATOM 1383 N THR A 92 -2.494 -9.349 6.125 1.00 0.00 N ATOM 1384 CA THR A 92 -1.330 -8.771 6.784 1.00 0.00 C ATOM 1385 C THR A 92 -0.246 -8.416 5.773 1.00 0.00 C ATOM 1386 O THR A 92 0.279 -9.286 5.079 1.00 0.00 O ATOM 1387 CB THR A 92 -0.742 -9.735 7.833 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.794 -10.298 8.624 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.248 -9.014 8.735 1.00 0.00 C ATOM 0 H THR A 92 -2.902 -10.146 6.613 1.00 0.00 H new ATOM 0 HA THR A 92 -1.668 -7.863 7.284 1.00 0.00 H new ATOM 0 HB THR A 92 -0.216 -10.533 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.078 -11.150 8.232 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.650 -9.714 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.063 -8.611 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.258 -8.199 9.252 1.00 0.00 H new ATOM 1397 N GLY A 93 0.086 -7.131 5.694 1.00 0.00 N ATOM 1398 CA GLY A 93 1.106 -6.683 4.765 1.00 0.00 C ATOM 1399 C GLY A 93 1.245 -5.174 4.739 1.00 0.00 C ATOM 1400 O GLY A 93 1.400 -4.540 5.783 1.00 0.00 O ATOM 0 H GLY A 93 -0.334 -6.392 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.063 -7.128 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.863 -7.040 3.764 1.00 0.00 H new ATOM 1404 N SER A 94 1.193 -4.597 3.543 1.00 0.00 N ATOM 1405 CA SER A 94 1.320 -3.153 3.384 1.00 0.00 C ATOM 1406 C SER A 94 0.240 -2.612 2.452 1.00 0.00 C ATOM 1407 O SER A 94 -0.138 -3.263 1.478 1.00 0.00 O ATOM 1408 CB SER A 94 2.705 -2.798 2.840 1.00 0.00 C ATOM 1409 OG SER A 94 2.812 -3.126 1.465 1.00 0.00 O ATOM 0 H SER A 94 1.064 -5.107 2.669 1.00 0.00 H new ATOM 0 HA SER A 94 1.194 -2.692 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.892 -1.733 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.469 -3.332 3.405 1.00 0.00 H new ATOM 0 HG SER A 94 3.758 -3.179 1.214 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.252 -1.417 2.758 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.289 -0.787 1.950 1.00 0.00 C ATOM 1417 C TYR A 95 -1.038 0.711 1.810 1.00 0.00 C ATOM 1418 O TYR A 95 -1.188 1.471 2.767 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.666 -1.029 2.572 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.033 -2.491 2.680 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.457 -3.303 3.650 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.958 -3.062 1.814 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.789 -4.640 3.752 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -4.297 -4.398 1.909 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.710 -5.182 2.880 1.00 0.00 C ATOM 1426 OH TYR A 95 -4.044 -6.513 2.979 1.00 0.00 O ATOM 0 H TYR A 95 0.051 -0.865 3.560 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.262 -1.235 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.690 -0.583 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.420 -0.517 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.737 -2.881 4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.420 -2.450 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.330 -5.257 4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.017 -4.826 1.227 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.243 -7.036 3.191 1.00 0.00 H new ATOM 1436 N THR A 96 -0.653 1.130 0.608 1.00 0.00 N ATOM 1437 CA THR A 96 -0.380 2.536 0.341 1.00 0.00 C ATOM 1438 C THR A 96 -1.646 3.272 -0.083 1.00 0.00 C ATOM 1439 O THR A 96 -2.429 2.767 -0.888 1.00 0.00 O ATOM 1440 CB THR A 96 0.689 2.702 -0.757 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.882 2.003 -0.388 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.006 4.172 -0.985 1.00 0.00 C ATOM 0 H THR A 96 -0.523 0.515 -0.195 1.00 0.00 H new ATOM 0 HA THR A 96 -0.007 2.967 1.270 1.00 0.00 H new ATOM 0 HB THR A 96 0.295 2.284 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.691 1.044 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.763 4.264 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.101 4.696 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.381 4.611 -0.061 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.841 4.467 0.462 1.00 0.00 N ATOM 1451 CA LEU A 97 -3.013 5.274 0.140 1.00 0.00 C ATOM 1452 C LEU A 97 -2.603 6.665 -0.331 1.00 0.00 C ATOM 1453 O LEU A 97 -2.068 7.459 0.442 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.931 5.385 1.358 1.00 0.00 C ATOM 1455 CG LEU A 97 -5.111 6.348 1.224 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.681 7.768 1.555 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.698 6.280 -0.179 1.00 0.00 C ATOM 0 H LEU A 97 -1.202 4.899 1.130 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.552 4.781 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.322 4.393 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.331 5.695 2.213 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.882 6.049 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.534 8.439 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.308 7.806 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.892 8.078 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.537 6.972 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.934 6.553 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.044 5.266 -0.380 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.861 6.954 -1.603 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.520 8.251 -2.175 1.00 0.00 C ATOM 1471 C GLN A 98 -3.747 9.154 -2.247 1.00 0.00 C ATOM 1472 O GLN A 98 -4.848 8.699 -2.558 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.920 8.074 -3.572 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.829 9.368 -4.363 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.823 9.291 -5.495 1.00 0.00 C ATOM 1476 OE1 GLN A 98 0.316 9.737 -5.359 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -1.240 8.722 -6.620 1.00 0.00 N ATOM 0 H GLN A 98 -3.305 6.308 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.782 8.723 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.923 7.644 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.524 7.359 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.811 9.610 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.553 10.181 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.193 8.366 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.607 8.641 -7.416 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.550 10.436 -1.956 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.640 11.403 -1.988 1.00 0.00 C ATOM 1488 C VAL A 99 -4.329 12.550 -2.944 1.00 0.00 C ATOM 1489 O VAL A 99 -3.364 13.290 -2.748 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.921 11.978 -0.587 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -6.160 12.861 -0.611 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -5.076 10.856 0.428 1.00 0.00 C ATOM 0 H VAL A 99 -2.645 10.829 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.525 10.872 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.072 12.592 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.343 13.258 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.006 13.686 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.020 12.273 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.274 11.281 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.907 10.213 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.158 10.269 0.464 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.153 12.693 -3.976 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.967 13.751 -4.961 1.00 0.00 C ATOM 1504 C ILE A 100 -5.581 15.062 -4.482 1.00 0.00 C ATOM 1505 O ILE A 100 -6.642 15.072 -3.857 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.588 13.372 -6.319 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.956 12.084 -6.851 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.411 14.507 -7.317 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.532 10.829 -6.234 1.00 0.00 C ATOM 0 H ILE A 100 -5.956 12.089 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.892 13.880 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.655 13.200 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.090 12.042 -7.932 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.883 12.111 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.855 14.225 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.903 15.404 -6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.349 14.707 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.037 9.955 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.374 10.848 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.601 10.778 -6.443 1.00 0.00 H new ATOM 1521 N LYS A 101 -4.909 16.168 -4.781 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.389 17.487 -4.384 1.00 0.00 C ATOM 1523 C LYS A 101 -5.828 18.294 -5.601 1.00 0.00 C ATOM 1524 O LYS A 101 -5.240 18.184 -6.678 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.296 18.243 -3.625 1.00 0.00 C ATOM 1526 CG LYS A 101 -3.903 17.588 -2.312 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.461 17.895 -1.945 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.503 16.882 -2.553 1.00 0.00 C ATOM 1529 NZ LYS A 101 -0.083 17.207 -2.246 1.00 0.00 N ATOM 0 H LYS A 101 -4.029 16.178 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.250 17.351 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.414 18.323 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.639 19.258 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.564 17.937 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.038 16.509 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.202 18.896 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.353 17.894 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.738 15.887 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.643 16.853 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.538 16.493 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.149 18.145 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.058 17.210 -1.216 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.865 19.106 -5.423 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.382 19.934 -6.507 1.00 0.00 C ATOM 1545 C LEU A 102 -6.251 20.671 -7.218 1.00 0.00 C ATOM 1546 O LEU A 102 -6.410 21.128 -8.349 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.400 20.940 -5.965 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.800 20.393 -5.684 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.681 20.522 -6.916 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.724 18.943 -5.229 1.00 0.00 C ATOM 0 H LEU A 102 -7.364 19.208 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.873 19.280 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.005 21.364 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.488 21.758 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.245 20.982 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.673 20.128 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.762 21.572 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.240 19.959 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.729 18.570 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.259 18.341 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.129 18.878 -4.318 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.109 20.779 -6.547 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.951 21.459 -7.115 1.00 0.00 C ATOM 1564 C ASN A 103 -3.151 20.515 -8.009 1.00 0.00 C ATOM 1565 O ASN A 103 -1.934 20.651 -8.143 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.056 22.004 -6.001 1.00 0.00 C ATOM 1567 CG ASN A 103 -1.919 22.854 -6.536 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -2.105 23.652 -7.455 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.734 22.685 -5.962 1.00 0.00 N ATOM 0 H ASN A 103 -4.961 20.405 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.310 22.290 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.658 22.598 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.646 21.172 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.069 23.228 -6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.626 22.012 -5.203 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.843 19.559 -8.619 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.198 18.592 -9.501 1.00 0.00 C ATOM 1578 C LEU A 104 -1.996 17.949 -8.818 1.00 0.00 C ATOM 1579 O LEU A 104 -0.948 17.758 -9.435 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.759 19.271 -10.800 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.852 20.011 -11.573 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.255 20.760 -12.754 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.925 19.039 -12.042 1.00 0.00 C ATOM 0 H LEU A 104 -4.850 19.433 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.921 17.810 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.964 19.979 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.328 18.514 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.315 20.737 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.047 21.281 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.524 21.484 -12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.765 20.053 -13.423 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.694 19.583 -12.590 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.477 18.289 -12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.373 18.548 -11.178 1.00 0.00 H new ATOM 1595 N MET A 105 -2.155 17.616 -7.541 1.00 0.00 N ATOM 1596 CA MET A 105 -1.083 16.991 -6.776 1.00 0.00 C ATOM 1597 C MET A 105 -1.545 15.668 -6.172 1.00 0.00 C ATOM 1598 O MET A 105 -2.695 15.265 -6.345 1.00 0.00 O ATOM 1599 CB MET A 105 -0.603 17.931 -5.668 1.00 0.00 C ATOM 1600 CG MET A 105 0.218 19.103 -6.179 1.00 0.00 C ATOM 1601 SD MET A 105 1.963 18.695 -6.379 1.00 0.00 S ATOM 1602 CE MET A 105 2.496 18.645 -4.670 1.00 0.00 C ATOM 0 H MET A 105 -3.015 17.769 -7.015 1.00 0.00 H new ATOM 0 HA MET A 105 -0.255 16.790 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.468 18.313 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.006 17.363 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.185 19.434 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.122 19.939 -5.486 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.582 18.724 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.049 19.476 -4.125 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.182 17.704 -4.218 1.00 0.00 H new ATOM 1612 N SER A 106 -0.642 14.999 -5.464 1.00 0.00 N ATOM 1613 CA SER A 106 -0.957 13.720 -4.838 1.00 0.00 C ATOM 1614 C SER A 106 -0.088 13.490 -3.605 1.00 0.00 C ATOM 1615 O SER A 106 1.053 13.945 -3.544 1.00 0.00 O ATOM 1616 CB SER A 106 -0.759 12.577 -5.836 1.00 0.00 C ATOM 1617 OG SER A 106 0.583 12.523 -6.289 1.00 0.00 O ATOM 0 H SER A 106 0.313 15.321 -5.309 1.00 0.00 H new ATOM 0 HA SER A 106 -2.001 13.744 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.026 11.630 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.428 12.712 -6.686 1.00 0.00 H new ATOM 0 HG SER A 106 0.947 11.628 -6.128 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.638 12.779 -2.625 1.00 0.00 N ATOM 1624 CA GLU A 107 0.086 12.489 -1.393 1.00 0.00 C ATOM 1625 C GLU A 107 0.385 10.997 -1.276 1.00 0.00 C ATOM 1626 O GLU A 107 0.037 10.213 -2.158 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.720 12.956 -0.179 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.552 14.433 0.132 1.00 0.00 C ATOM 1629 CD GLU A 107 0.751 14.734 0.847 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.741 14.010 0.608 1.00 0.00 O ATOM 1631 OE2 GLU A 107 0.781 15.694 1.645 1.00 0.00 O ATOM 0 H GLU A 107 -1.582 12.394 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 107 1.032 13.030 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.776 12.748 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.419 12.374 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.593 15.003 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.386 14.768 0.749 1.00 0.00 H new ATOM 1638 N GLU A 108 1.033 10.614 -0.181 1.00 0.00 N ATOM 1639 CA GLU A 108 1.380 9.217 0.051 1.00 0.00 C ATOM 1640 C GLU A 108 1.382 8.896 1.543 1.00 0.00 C ATOM 1641 O GLU A 108 1.928 9.648 2.350 1.00 0.00 O ATOM 1642 CB GLU A 108 2.752 8.902 -0.551 1.00 0.00 C ATOM 1643 CG GLU A 108 2.691 8.443 -1.998 1.00 0.00 C ATOM 1644 CD GLU A 108 3.927 8.832 -2.786 1.00 0.00 C ATOM 1645 OE1 GLU A 108 5.019 8.897 -2.184 1.00 0.00 O ATOM 1646 OE2 GLU A 108 3.801 9.071 -4.005 1.00 0.00 O ATOM 0 H GLU A 108 1.328 11.251 0.559 1.00 0.00 H new ATOM 0 HA GLU A 108 0.626 8.597 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.380 9.790 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.233 8.128 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.572 7.360 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.810 8.873 -2.475 1.00 0.00 H new ATOM 1653 N VAL A 109 0.766 7.775 1.902 1.00 0.00 N ATOM 1654 CA VAL A 109 0.696 7.354 3.296 1.00 0.00 C ATOM 1655 C VAL A 109 0.532 5.842 3.406 1.00 0.00 C ATOM 1656 O VAL A 109 -0.508 5.290 3.045 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.471 8.040 4.032 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.740 7.977 3.197 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.687 7.404 5.397 1.00 0.00 C ATOM 0 H VAL A 109 0.308 7.142 1.247 1.00 0.00 H new ATOM 0 HA VAL A 109 1.635 7.650 3.763 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.217 9.089 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.553 8.466 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.575 8.484 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.003 6.935 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.515 7.901 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.920 6.346 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.219 7.509 5.995 1.00 0.00 H new ATOM 1669 N THR A 110 1.566 5.175 3.909 1.00 0.00 N ATOM 1670 CA THR A 110 1.538 3.727 4.066 1.00 0.00 C ATOM 1671 C THR A 110 0.820 3.327 5.350 1.00 0.00 C ATOM 1672 O THR A 110 1.384 3.409 6.440 1.00 0.00 O ATOM 1673 CB THR A 110 2.961 3.136 4.082 1.00 0.00 C ATOM 1674 OG1 THR A 110 3.845 3.966 3.321 1.00 0.00 O ATOM 1675 CG2 THR A 110 2.967 1.725 3.513 1.00 0.00 C ATOM 0 H THR A 110 2.434 5.615 4.215 1.00 0.00 H new ATOM 0 HA THR A 110 0.996 3.327 3.209 1.00 0.00 H new ATOM 0 HB THR A 110 3.302 3.095 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.747 3.584 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.982 1.328 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.316 1.088 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.607 1.746 2.484 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.430 2.893 5.213 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.204 2.486 6.371 1.00 0.00 C ATOM 1685 C GLY A 111 -1.695 1.056 6.267 1.00 0.00 C ATOM 1686 O GLY A 111 -2.570 0.751 5.456 1.00 0.00 O ATOM 0 H GLY A 111 -0.920 2.816 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.594 2.593 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.059 3.153 6.486 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.130 0.177 7.088 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.514 -1.230 7.082 1.00 0.00 C ATOM 1692 C GLN A 112 -1.931 -1.686 8.476 1.00 0.00 C ATOM 1693 O GLN A 112 -2.000 -0.884 9.408 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.359 -2.094 6.574 1.00 0.00 C ATOM 1695 CG GLN A 112 0.917 -1.942 7.386 1.00 0.00 C ATOM 1696 CD GLN A 112 1.700 -0.698 7.015 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.394 -0.029 6.027 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.718 -0.381 7.806 1.00 0.00 N ATOM 0 H GLN A 112 -0.405 0.414 7.765 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.366 -1.345 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.666 -3.140 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.152 -1.835 5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.666 -1.906 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.545 -2.820 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.936 -0.964 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.282 0.445 7.605 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.207 -2.979 8.612 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.619 -3.542 9.893 1.00 0.00 C ATOM 1709 C PHE A 113 -2.076 -4.957 10.064 1.00 0.00 C ATOM 1710 O PHE A 113 -1.364 -5.469 9.201 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.145 -3.551 10.003 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.818 -4.373 8.941 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.000 -3.863 7.665 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.268 -5.653 9.217 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.618 -4.616 6.685 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -5.886 -6.411 8.241 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.063 -5.892 6.973 1.00 0.00 C ATOM 0 H PHE A 113 -2.153 -3.656 7.851 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.209 -2.916 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.428 -3.936 10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.512 -2.526 9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.655 -2.866 7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.134 -6.064 10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.753 -4.207 5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.231 -7.409 8.469 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.548 -6.482 6.209 1.00 0.00 H new ATOM 1727 N SER A 114 -2.419 -5.585 11.185 1.00 0.00 N ATOM 1728 CA SER A 114 -1.963 -6.939 11.473 1.00 0.00 C ATOM 1729 C SER A 114 -3.138 -7.842 11.838 1.00 0.00 C ATOM 1730 O SER A 114 -4.096 -7.406 12.477 1.00 0.00 O ATOM 1731 CB SER A 114 -0.943 -6.926 12.613 1.00 0.00 C ATOM 1732 OG SER A 114 0.361 -6.659 12.127 1.00 0.00 O ATOM 0 H SER A 114 -3.011 -5.177 11.908 1.00 0.00 H new ATOM 0 HA SER A 114 -1.488 -7.334 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.223 -6.170 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.954 -7.888 13.126 1.00 0.00 H new ATOM 0 HG SER A 114 0.994 -6.654 12.875 1.00 0.00 H new ATOM 1738 N VAL A 115 -3.057 -9.103 11.426 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.112 -10.069 11.710 1.00 0.00 C ATOM 1740 C VAL A 115 -3.571 -11.261 12.492 1.00 0.00 C ATOM 1741 O VAL A 115 -2.518 -11.807 12.162 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.771 -10.576 10.413 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.909 -11.535 10.732 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.268 -9.407 9.576 1.00 0.00 C ATOM 0 H VAL A 115 -2.272 -9.480 10.895 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.860 -9.553 12.312 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.023 -11.117 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.363 -11.883 9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.521 -12.388 11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.660 -11.022 11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.731 -9.783 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.002 -8.837 10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.428 -8.762 9.317 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.298 -11.660 13.530 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.892 -12.789 14.359 1.00 0.00 C ATOM 1756 C HIS A 116 -5.032 -13.792 14.508 1.00 0.00 C ATOM 1757 O HIS A 116 -6.204 -13.427 14.594 1.00 0.00 O ATOM 1758 CB HIS A 116 -3.443 -12.301 15.737 1.00 0.00 C ATOM 1759 CG HIS A 116 -4.433 -11.396 16.404 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -5.381 -11.847 17.298 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.617 -10.059 16.305 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -6.107 -10.826 17.718 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.664 -9.730 17.130 1.00 0.00 N ATOM 0 H HIS A 116 -5.171 -11.218 13.817 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.056 -13.287 13.868 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -3.263 -13.164 16.378 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.493 -11.775 15.636 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.046 -9.378 15.691 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.924 -10.879 18.422 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -6.039 -8.791 17.266 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.681 -15.086 14.539 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.661 -16.168 14.677 1.00 0.00 C ATOM 1774 C PRO A 117 -6.292 -16.205 16.065 1.00 0.00 C ATOM 1775 O PRO A 117 -5.590 -16.239 17.075 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.831 -17.431 14.434 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.439 -17.047 14.802 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.302 -15.593 14.442 1.00 0.00 C ATOM 0 HA PRO A 117 -6.497 -16.051 13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.187 -18.262 15.044 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.892 -17.750 13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.259 -17.204 15.865 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.711 -17.653 14.262 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.633 -15.071 15.126 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.896 -15.464 13.439 1.00 0.00 H new