USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot 30:sc= 0.189 USER MOD Set 1.2: A 106 TYR OH : rot 34:sc= -0.106 USER MOD Set 2.1: A 62 ASN : amide:sc= -2.5 X(o=-7.7,f=-8!) USER MOD Set 2.2: A 66 ASN : amide:sc= -5.2! C(o=-7.7!,f=-18!) USER MOD Set 3.1: A 23 TYR OH : rot 156:sc= 0.0657 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -2.09 K(o=-2,f=-2.9!) USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= 0.419 F(o=-0.99,f=0.79) USER MOD Set 4.2: A 33 THR OG1 : rot -3:sc= 0.369 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.449 USER MOD Single : A 17 GLN : amide:sc= 1.01 K(o=1,f=-1) USER MOD Single : A 18 MET CE :methyl 178:sc= -0.695 (180deg=-0.697) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 0.55 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -105:sc= 1.11 USER MOD Single : A 25 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6.9!) USER MOD Single : A 27 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 34 SER OG : rot 73:sc= -0.451 USER MOD Single : A 42 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -3.07 F(o=-5.9!,f=-3.1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.955 F(o=-1.9!,f=-0.95) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.55 K(o=-1.6,f=-8.7!) USER MOD Single : A 93 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.7) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 81:sc= 0.548 USER MOD Single : A 105 THR OG1 : rot -84:sc= 1.29 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS :FLIP no HD1:sc= -2.01 F(o=-3!,f=-2) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 96:sc= 0.962 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.864 7.428 -1.057 1.00 0.00 N ATOM 99 CA ASP A 10 12.493 7.802 -2.417 1.00 0.00 C ATOM 100 C ASP A 10 12.216 6.563 -3.265 1.00 0.00 C ATOM 101 O ASP A 10 11.188 6.477 -3.937 1.00 0.00 O ATOM 102 CB ASP A 10 13.602 8.635 -3.061 1.00 0.00 C ATOM 103 CG ASP A 10 14.048 9.785 -2.178 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.172 10.512 -1.664 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.273 9.958 -2.002 1.00 0.00 O ATOM 0 HA ASP A 10 11.582 8.399 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.456 7.993 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.250 9.028 -4.015 1.00 0.00 H new ATOM 110 N ALA A 11 13.138 5.608 -3.227 1.00 0.00 N ATOM 111 CA ALA A 11 12.992 4.373 -3.990 1.00 0.00 C ATOM 112 C ALA A 11 11.587 3.801 -3.842 1.00 0.00 C ATOM 113 O ALA A 11 10.991 3.333 -4.813 1.00 0.00 O ATOM 114 CB ALA A 11 14.030 3.353 -3.546 1.00 0.00 C ATOM 0 H ALA A 11 13.995 5.665 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 11 13.153 4.603 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.910 2.436 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.029 3.756 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.896 3.135 -2.487 1.00 0.00 H new ATOM 120 N LEU A 12 11.063 3.838 -2.621 1.00 0.00 N ATOM 121 CA LEU A 12 9.727 3.321 -2.347 1.00 0.00 C ATOM 122 C LEU A 12 8.659 4.209 -2.977 1.00 0.00 C ATOM 123 O LEU A 12 7.867 3.755 -3.803 1.00 0.00 O ATOM 124 CB LEU A 12 9.499 3.221 -0.837 1.00 0.00 C ATOM 125 CG LEU A 12 8.187 2.567 -0.400 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.193 1.084 -0.734 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.958 2.779 1.090 1.00 0.00 C ATOM 0 H LEU A 12 11.543 4.220 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 12 9.651 2.327 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.325 2.659 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.539 4.226 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 12 7.368 3.037 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.252 0.636 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.312 0.954 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.020 0.598 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.020 2.308 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.780 2.334 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.910 3.847 1.302 1.00 0.00 H new ATOM 139 N LEU A 13 8.645 5.479 -2.584 1.00 0.00 N ATOM 140 CA LEU A 13 7.675 6.432 -3.111 1.00 0.00 C ATOM 141 C LEU A 13 7.447 6.207 -4.603 1.00 0.00 C ATOM 142 O LEU A 13 6.313 6.249 -5.082 1.00 0.00 O ATOM 143 CB LEU A 13 8.155 7.865 -2.867 1.00 0.00 C ATOM 144 CG LEU A 13 7.245 8.975 -3.392 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.038 9.151 -2.483 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.015 10.282 -3.517 1.00 0.00 C ATOM 0 H LEU A 13 9.294 5.872 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 13 6.730 6.278 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.285 8.006 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.137 7.981 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 13 6.890 8.689 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.402 9.946 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.473 8.220 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.373 9.414 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.351 11.061 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.399 10.573 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.847 10.150 -4.209 1.00 0.00 H new ATOM 158 N LEU A 14 8.531 5.968 -5.332 1.00 0.00 N ATOM 159 CA LEU A 14 8.450 5.733 -6.770 1.00 0.00 C ATOM 160 C LEU A 14 7.692 4.445 -7.070 1.00 0.00 C ATOM 161 O LEU A 14 6.813 4.415 -7.931 1.00 0.00 O ATOM 162 CB LEU A 14 9.853 5.667 -7.376 1.00 0.00 C ATOM 163 CG LEU A 14 9.935 5.189 -8.826 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.264 6.188 -9.756 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.385 4.969 -9.234 1.00 0.00 C ATOM 0 H LEU A 14 9.477 5.932 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 14 7.906 6.564 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.300 6.659 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.462 5.005 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 14 9.408 4.238 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.332 5.831 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.216 6.296 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.763 7.154 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.424 4.629 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.936 5.905 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.835 4.216 -8.587 1.00 0.00 H new ATOM 177 N TRP A 15 8.037 3.381 -6.352 1.00 0.00 N ATOM 178 CA TRP A 15 7.387 2.089 -6.540 1.00 0.00 C ATOM 179 C TRP A 15 5.870 2.242 -6.575 1.00 0.00 C ATOM 180 O TRP A 15 5.231 1.946 -7.585 1.00 0.00 O ATOM 181 CB TRP A 15 7.789 1.125 -5.421 1.00 0.00 C ATOM 182 CG TRP A 15 7.343 -0.285 -5.664 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.871 -1.167 -6.563 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.279 -0.973 -5.000 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.198 -2.363 -6.497 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.216 -2.271 -5.546 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.372 -0.621 -3.996 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.284 -3.213 -5.121 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.446 -1.558 -3.576 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.409 -2.841 -4.137 1.00 0.00 C ATOM 0 H TRP A 15 8.763 3.388 -5.635 1.00 0.00 H new ATOM 0 HA TRP A 15 7.714 1.682 -7.497 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.873 1.141 -5.309 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.366 1.475 -4.480 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.696 -0.956 -7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.397 -3.187 -7.065 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.394 0.365 -3.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.252 -4.203 -5.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.739 -1.296 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.675 -3.551 -3.786 1.00 0.00 H new ATOM 201 N CYS A 16 5.301 2.707 -5.468 1.00 0.00 N ATOM 202 CA CYS A 16 3.858 2.898 -5.373 1.00 0.00 C ATOM 203 C CYS A 16 3.357 3.812 -6.487 1.00 0.00 C ATOM 204 O CYS A 16 2.268 3.611 -7.024 1.00 0.00 O ATOM 205 CB CYS A 16 3.490 3.486 -4.011 1.00 0.00 C ATOM 206 SG CYS A 16 3.984 2.460 -2.606 1.00 0.00 S ATOM 0 H CYS A 16 5.816 2.958 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 16 3.379 1.925 -5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.956 4.467 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.412 3.640 -3.973 1.00 0.00 H new ATOM 0 HG CYS A 16 3.631 3.042 -1.498 1.00 0.00 H new ATOM 212 N GLN A 17 4.159 4.816 -6.828 1.00 0.00 N ATOM 213 CA GLN A 17 3.794 5.762 -7.876 1.00 0.00 C ATOM 214 C GLN A 17 3.635 5.054 -9.216 1.00 0.00 C ATOM 215 O GLN A 17 2.678 5.300 -9.950 1.00 0.00 O ATOM 216 CB GLN A 17 4.850 6.863 -7.988 1.00 0.00 C ATOM 217 CG GLN A 17 4.594 8.047 -7.070 1.00 0.00 C ATOM 218 CD GLN A 17 5.708 9.074 -7.118 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.646 8.954 -7.907 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.612 10.092 -6.271 1.00 0.00 N ATOM 0 H GLN A 17 5.065 4.995 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 17 2.838 6.212 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.829 6.441 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.888 7.215 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.654 8.523 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.478 7.690 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.818 10.152 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.333 10.814 -6.257 1.00 0.00 H new ATOM 229 N MET A 18 4.581 4.174 -9.531 1.00 0.00 N ATOM 230 CA MET A 18 4.546 3.430 -10.785 1.00 0.00 C ATOM 231 C MET A 18 3.331 2.508 -10.835 1.00 0.00 C ATOM 232 O MET A 18 2.581 2.506 -11.810 1.00 0.00 O ATOM 233 CB MET A 18 5.828 2.614 -10.954 1.00 0.00 C ATOM 234 CG MET A 18 7.086 3.465 -11.024 1.00 0.00 C ATOM 235 SD MET A 18 8.534 2.522 -11.541 1.00 0.00 S ATOM 236 CE MET A 18 8.851 1.554 -10.068 1.00 0.00 C ATOM 0 H MET A 18 5.381 3.959 -8.935 1.00 0.00 H new ATOM 0 HA MET A 18 4.470 4.147 -11.603 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.917 1.916 -10.121 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.752 2.017 -11.863 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.925 4.288 -11.721 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.276 3.908 -10.046 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.699 0.891 -10.243 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.078 2.221 -9.236 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.970 0.960 -9.827 1.00 0.00 H new ATOM 246 N LYS A 19 3.145 1.725 -9.778 1.00 0.00 N ATOM 247 CA LYS A 19 2.021 0.799 -9.700 1.00 0.00 C ATOM 248 C LYS A 19 0.694 1.549 -9.744 1.00 0.00 C ATOM 249 O LYS A 19 -0.121 1.339 -10.644 1.00 0.00 O ATOM 250 CB LYS A 19 2.107 -0.033 -8.419 1.00 0.00 C ATOM 251 CG LYS A 19 3.464 -0.681 -8.204 1.00 0.00 C ATOM 252 CD LYS A 19 3.789 -1.674 -9.307 1.00 0.00 C ATOM 253 CE LYS A 19 5.043 -2.471 -8.988 1.00 0.00 C ATOM 254 NZ LYS A 19 6.271 -1.802 -9.498 1.00 0.00 N ATOM 0 H LYS A 19 3.758 1.713 -8.963 1.00 0.00 H new ATOM 0 HA LYS A 19 2.070 0.134 -10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.879 0.605 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.343 -0.810 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.234 0.089 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.477 -1.190 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.949 -2.355 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.925 -1.142 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.124 -2.604 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.962 -3.465 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.744 -2.422 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.012 -0.906 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.916 -1.610 -8.705 1.00 0.00 H new ATOM 268 N THR A 20 0.482 2.426 -8.768 1.00 0.00 N ATOM 269 CA THR A 20 -0.747 3.207 -8.696 1.00 0.00 C ATOM 270 C THR A 20 -1.033 3.906 -10.019 1.00 0.00 C ATOM 271 O THR A 20 -2.189 4.104 -10.391 1.00 0.00 O ATOM 272 CB THR A 20 -0.676 4.262 -7.575 1.00 0.00 C ATOM 273 OG1 THR A 20 0.468 5.100 -7.764 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.604 3.596 -6.208 1.00 0.00 C ATOM 0 H THR A 20 1.145 2.613 -8.016 1.00 0.00 H new ATOM 0 HA THR A 20 -1.554 2.508 -8.477 1.00 0.00 H new ATOM 0 HB THR A 20 -1.581 4.868 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.164 4.854 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.555 4.361 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.491 2.981 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.286 2.968 -6.156 1.00 0.00 H new ATOM 282 N ALA A 21 0.029 4.277 -10.728 1.00 0.00 N ATOM 283 CA ALA A 21 -0.109 4.952 -12.012 1.00 0.00 C ATOM 284 C ALA A 21 -1.249 4.353 -12.828 1.00 0.00 C ATOM 285 O ALA A 21 -2.072 5.076 -13.388 1.00 0.00 O ATOM 286 CB ALA A 21 1.196 4.877 -12.791 1.00 0.00 C ATOM 0 H ALA A 21 0.993 4.121 -10.434 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.345 5.999 -11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.078 5.385 -13.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.989 5.359 -12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.457 3.833 -12.964 1.00 0.00 H new ATOM 292 N GLY A 22 -1.291 3.025 -12.892 1.00 0.00 N ATOM 293 CA GLY A 22 -2.334 2.351 -13.643 1.00 0.00 C ATOM 294 C GLY A 22 -3.675 3.047 -13.526 1.00 0.00 C ATOM 295 O GLY A 22 -4.395 3.193 -14.514 1.00 0.00 O ATOM 0 H GLY A 22 -0.621 2.404 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.046 2.299 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.428 1.325 -13.287 1.00 0.00 H new ATOM 299 N TYR A 23 -4.012 3.476 -12.315 1.00 0.00 N ATOM 300 CA TYR A 23 -5.279 4.156 -12.070 1.00 0.00 C ATOM 301 C TYR A 23 -5.087 5.669 -12.038 1.00 0.00 C ATOM 302 O TYR A 23 -4.142 6.189 -11.443 1.00 0.00 O ATOM 303 CB TYR A 23 -5.892 3.681 -10.752 1.00 0.00 C ATOM 304 CG TYR A 23 -5.656 2.214 -10.469 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.442 1.770 -9.962 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.649 1.273 -10.709 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.221 0.432 -9.703 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.440 -0.069 -10.451 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.224 -0.484 -9.949 1.00 0.00 C ATOM 310 OH TYR A 23 -5.009 -1.818 -9.691 1.00 0.00 O ATOM 0 H TYR A 23 -3.426 3.365 -11.488 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.957 3.910 -12.887 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.478 4.271 -9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.965 3.871 -10.771 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.656 2.485 -9.767 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.601 1.595 -11.104 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.270 0.104 -9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.223 -0.788 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.868 -2.265 -9.544 1.00 0.00 H new ATOM 320 N PRO A 24 -6.004 6.396 -12.693 1.00 0.00 N ATOM 321 CA PRO A 24 -5.959 7.860 -12.754 1.00 0.00 C ATOM 322 C PRO A 24 -6.267 8.505 -11.407 1.00 0.00 C ATOM 323 O PRO A 24 -5.530 9.374 -10.942 1.00 0.00 O ATOM 324 CB PRO A 24 -7.047 8.206 -13.774 1.00 0.00 C ATOM 325 CG PRO A 24 -7.994 7.057 -13.722 1.00 0.00 C ATOM 326 CD PRO A 24 -7.157 5.844 -13.424 1.00 0.00 C ATOM 0 HA PRO A 24 -4.969 8.227 -13.025 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.545 9.141 -13.519 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.628 8.329 -14.773 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.750 7.209 -12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.522 6.944 -14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.703 5.117 -12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.848 5.335 -14.337 1.00 0.00 H new ATOM 334 N ASN A 25 -7.360 8.074 -10.784 1.00 0.00 N ATOM 335 CA ASN A 25 -7.765 8.611 -9.491 1.00 0.00 C ATOM 336 C ASN A 25 -6.669 8.402 -8.449 1.00 0.00 C ATOM 337 O ASN A 25 -6.337 9.314 -7.690 1.00 0.00 O ATOM 338 CB ASN A 25 -9.061 7.948 -9.023 1.00 0.00 C ATOM 339 CG ASN A 25 -9.157 6.497 -9.454 1.00 0.00 C ATOM 340 OD1 ASN A 25 -8.423 5.641 -8.959 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.065 6.214 -10.381 1.00 0.00 N ATOM 0 H ASN A 25 -7.980 7.354 -11.155 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.934 9.682 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.124 8.006 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.912 8.500 -9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.176 5.255 -10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.652 6.956 -10.763 1.00 0.00 H new ATOM 348 N VAL A 26 -6.111 7.196 -8.418 1.00 0.00 N ATOM 349 CA VAL A 26 -5.053 6.868 -7.470 1.00 0.00 C ATOM 350 C VAL A 26 -3.776 7.639 -7.785 1.00 0.00 C ATOM 351 O VAL A 26 -3.376 7.753 -8.943 1.00 0.00 O ATOM 352 CB VAL A 26 -4.743 5.360 -7.475 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.703 5.023 -6.418 1.00 0.00 C ATOM 354 CG2 VAL A 26 -6.015 4.553 -7.258 1.00 0.00 C ATOM 0 H VAL A 26 -6.374 6.430 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.413 7.154 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.333 5.096 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.498 3.953 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.784 5.572 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.080 5.302 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.777 3.489 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.456 4.820 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.725 4.771 -8.056 1.00 0.00 H new ATOM 364 N ASN A 27 -3.138 8.167 -6.744 1.00 0.00 N ATOM 365 CA ASN A 27 -1.905 8.927 -6.910 1.00 0.00 C ATOM 366 C ASN A 27 -1.082 8.914 -5.626 1.00 0.00 C ATOM 367 O ASN A 27 -1.599 9.183 -4.541 1.00 0.00 O ATOM 368 CB ASN A 27 -2.221 10.369 -7.311 1.00 0.00 C ATOM 369 CG ASN A 27 -1.008 11.275 -7.215 1.00 0.00 C ATOM 370 OD1 ASN A 27 -0.023 11.090 -7.931 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.075 12.260 -6.328 1.00 0.00 N ATOM 0 H ASN A 27 -3.455 8.082 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.321 8.456 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.602 10.384 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.012 10.757 -6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.290 12.902 -6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.912 12.375 -5.756 1.00 0.00 H new ATOM 378 N VAL A 28 0.203 8.598 -5.755 1.00 0.00 N ATOM 379 CA VAL A 28 1.099 8.551 -4.607 1.00 0.00 C ATOM 380 C VAL A 28 2.184 9.617 -4.711 1.00 0.00 C ATOM 381 O VAL A 28 3.303 9.338 -5.142 1.00 0.00 O ATOM 382 CB VAL A 28 1.765 7.169 -4.470 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.746 7.161 -3.306 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.711 6.086 -4.296 1.00 0.00 C ATOM 0 H VAL A 28 0.647 8.371 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 28 0.490 8.742 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 28 2.321 6.961 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.206 6.176 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.519 7.910 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.216 7.391 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.199 5.116 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.126 6.288 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.052 6.077 -5.164 1.00 0.00 H new ATOM 394 N HIS A 29 1.846 10.840 -4.314 1.00 0.00 N ATOM 395 CA HIS A 29 2.792 11.948 -4.362 1.00 0.00 C ATOM 396 C HIS A 29 3.510 12.109 -3.026 1.00 0.00 C ATOM 397 O HIS A 29 4.687 12.464 -2.982 1.00 0.00 O ATOM 398 CB HIS A 29 2.070 13.247 -4.725 1.00 0.00 C ATOM 399 CG HIS A 29 2.982 14.432 -4.822 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.647 15.679 -4.339 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.222 14.554 -5.348 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.642 16.518 -4.565 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.610 15.860 -5.176 1.00 0.00 N ATOM 0 H HIS A 29 0.924 11.088 -3.956 1.00 0.00 H new ATOM 0 HA HIS A 29 3.534 11.726 -5.129 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.558 13.114 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.304 13.449 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.799 13.770 -5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.661 17.564 -4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.501 16.257 -5.472 1.00 0.00 H new ATOM 412 N ASN A 30 2.794 11.843 -1.939 1.00 0.00 N ATOM 413 CA ASN A 30 3.362 11.960 -0.602 1.00 0.00 C ATOM 414 C ASN A 30 2.975 10.762 0.261 1.00 0.00 C ATOM 415 O ASN A 30 2.097 9.979 -0.104 1.00 0.00 O ATOM 416 CB ASN A 30 2.894 13.255 0.065 1.00 0.00 C ATOM 417 CG ASN A 30 1.507 13.669 -0.390 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.539 12.776 -0.224 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.310 14.780 -0.882 1.00 0.00 N flip ATOM 0 H ASN A 30 1.819 11.545 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 30 4.448 11.981 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.895 13.125 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.601 14.053 -0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.085 15.434 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.372 15.046 -1.181 1.00 0.00 H new ATOM 426 N PHE A 31 3.634 10.626 1.406 1.00 0.00 N ATOM 427 CA PHE A 31 3.359 9.524 2.321 1.00 0.00 C ATOM 428 C PHE A 31 2.481 9.986 3.480 1.00 0.00 C ATOM 429 O PHE A 31 2.575 9.464 4.592 1.00 0.00 O ATOM 430 CB PHE A 31 4.667 8.940 2.858 1.00 0.00 C ATOM 431 CG PHE A 31 5.394 8.083 1.862 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.803 6.938 1.352 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.669 8.421 1.436 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.470 6.146 0.436 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.340 7.634 0.520 1.00 0.00 C ATOM 436 CZ PHE A 31 6.740 6.495 0.018 1.00 0.00 C ATOM 0 H PHE A 31 4.363 11.265 1.723 1.00 0.00 H new ATOM 0 HA PHE A 31 2.824 8.751 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.320 9.756 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.453 8.347 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.810 6.661 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.143 9.310 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.999 5.255 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.333 7.909 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.262 5.879 -0.699 1.00 0.00 H new ATOM 446 N THR A 32 1.626 10.969 3.214 1.00 0.00 N ATOM 447 CA THR A 32 0.733 11.503 4.233 1.00 0.00 C ATOM 448 C THR A 32 -0.689 11.643 3.700 1.00 0.00 C ATOM 449 O THR A 32 -1.584 10.889 4.083 1.00 0.00 O ATOM 450 CB THR A 32 1.216 12.874 4.741 1.00 0.00 C ATOM 451 OG1 THR A 32 1.382 13.774 3.640 1.00 0.00 O ATOM 452 CG2 THR A 32 2.530 12.740 5.496 1.00 0.00 C ATOM 0 H THR A 32 1.534 11.411 2.300 1.00 0.00 H new ATOM 0 HA THR A 32 0.739 10.794 5.061 1.00 0.00 H new ATOM 0 HB THR A 32 0.463 13.270 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.688 14.644 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.851 13.722 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.393 12.078 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.289 12.324 4.834 1.00 0.00 H new ATOM 460 N THR A 33 -0.890 12.613 2.813 1.00 0.00 N ATOM 461 CA THR A 33 -2.203 12.851 2.227 1.00 0.00 C ATOM 462 C THR A 33 -2.420 11.983 0.993 1.00 0.00 C ATOM 463 O THR A 33 -3.083 12.396 0.041 1.00 0.00 O ATOM 464 CB THR A 33 -2.384 14.331 1.839 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.421 14.697 0.843 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.233 15.232 3.055 1.00 0.00 C ATOM 0 H THR A 33 -0.160 13.246 2.485 1.00 0.00 H new ATOM 0 HA THR A 33 -2.941 12.589 2.986 1.00 0.00 H new ATOM 0 HB THR A 33 -3.389 14.459 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.834 13.934 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.365 16.272 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.986 14.970 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.239 15.101 3.484 1.00 0.00 H new ATOM 474 N SER A 34 -1.860 10.778 1.016 1.00 0.00 N ATOM 475 CA SER A 34 -1.991 9.853 -0.103 1.00 0.00 C ATOM 476 C SER A 34 -2.664 8.557 0.340 1.00 0.00 C ATOM 477 O SER A 34 -3.359 7.908 -0.441 1.00 0.00 O ATOM 478 CB SER A 34 -0.618 9.548 -0.703 1.00 0.00 C ATOM 479 OG SER A 34 -0.733 8.713 -1.843 1.00 0.00 O ATOM 0 H SER A 34 -1.311 10.420 1.797 1.00 0.00 H new ATOM 0 HA SER A 34 -2.615 10.325 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.123 10.479 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.010 9.063 0.045 1.00 0.00 H new ATOM 0 HG SER A 34 -1.102 9.228 -2.590 1.00 0.00 H new ATOM 485 N TRP A 35 -2.451 8.187 1.597 1.00 0.00 N ATOM 486 CA TRP A 35 -3.037 6.968 2.145 1.00 0.00 C ATOM 487 C TRP A 35 -4.108 7.297 3.180 1.00 0.00 C ATOM 488 O TRP A 35 -4.626 6.406 3.854 1.00 0.00 O ATOM 489 CB TRP A 35 -1.951 6.096 2.776 1.00 0.00 C ATOM 490 CG TRP A 35 -0.678 6.069 1.987 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.262 7.058 1.913 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.205 5.002 1.158 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.291 6.669 1.089 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.029 5.411 0.613 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.702 3.739 0.824 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.767 4.603 -0.246 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.033 2.938 -0.029 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.257 3.372 -0.556 1.00 0.00 C ATOM 0 H TRP A 35 -1.877 8.713 2.256 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.505 6.419 1.328 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.740 6.462 3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.327 5.078 2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.205 8.006 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.116 7.226 0.868 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.644 3.395 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.710 4.936 -0.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.342 1.961 -0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.808 2.722 -1.220 1.00 0.00 H new ATOM 509 N ARG A 36 -4.435 8.579 3.300 1.00 0.00 N ATOM 510 CA ARG A 36 -5.444 9.023 4.253 1.00 0.00 C ATOM 511 C ARG A 36 -6.804 8.410 3.932 1.00 0.00 C ATOM 512 O ARG A 36 -7.481 7.880 4.812 1.00 0.00 O ATOM 513 CB ARG A 36 -5.547 10.550 4.247 1.00 0.00 C ATOM 514 CG ARG A 36 -6.390 11.109 5.380 1.00 0.00 C ATOM 515 CD ARG A 36 -6.768 12.561 5.130 1.00 0.00 C ATOM 516 NE ARG A 36 -7.499 13.138 6.254 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.804 12.978 6.443 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.519 12.262 5.586 1.00 0.00 N ATOM 519 NH2 ARG A 36 -9.397 13.536 7.491 1.00 0.00 N ATOM 0 H ARG A 36 -4.016 9.328 2.749 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.140 8.690 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.544 10.973 4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.971 10.873 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.294 10.511 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.839 11.032 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.865 13.144 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.378 12.627 4.229 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.979 13.695 6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.067 11.832 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.521 12.141 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.851 14.088 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.399 13.413 7.635 1.00 0.00 H new ATOM 533 N ASP A 37 -7.198 8.489 2.665 1.00 0.00 N ATOM 534 CA ASP A 37 -8.476 7.941 2.226 1.00 0.00 C ATOM 535 C ASP A 37 -8.473 6.418 2.314 1.00 0.00 C ATOM 536 O ASP A 37 -9.284 5.827 3.027 1.00 0.00 O ATOM 537 CB ASP A 37 -8.779 8.381 0.793 1.00 0.00 C ATOM 538 CG ASP A 37 -9.098 9.861 0.698 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.739 10.390 1.630 1.00 0.00 O ATOM 540 OD2 ASP A 37 -8.709 10.488 -0.310 1.00 0.00 O ATOM 0 H ASP A 37 -6.650 8.927 1.924 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.254 8.324 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.923 8.155 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.621 7.805 0.409 1.00 0.00 H new ATOM 545 N GLY A 38 -7.558 5.790 1.583 1.00 0.00 N ATOM 546 CA GLY A 38 -7.469 4.341 1.591 1.00 0.00 C ATOM 547 C GLY A 38 -7.218 3.768 0.211 1.00 0.00 C ATOM 548 O GLY A 38 -6.467 2.804 0.058 1.00 0.00 O ATOM 0 H GLY A 38 -6.877 6.258 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.666 4.033 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.394 3.925 1.991 1.00 0.00 H new ATOM 552 N LEU A 39 -7.849 4.359 -0.798 1.00 0.00 N ATOM 553 CA LEU A 39 -7.691 3.901 -2.174 1.00 0.00 C ATOM 554 C LEU A 39 -6.273 3.396 -2.421 1.00 0.00 C ATOM 555 O LEU A 39 -6.075 2.265 -2.861 1.00 0.00 O ATOM 556 CB LEU A 39 -8.020 5.031 -3.149 1.00 0.00 C ATOM 557 CG LEU A 39 -9.485 5.465 -3.206 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.653 6.658 -4.135 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.367 4.309 -3.653 1.00 0.00 C ATOM 0 H LEU A 39 -8.475 5.157 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.384 3.075 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.415 5.899 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.715 4.721 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.794 5.765 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.702 6.953 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.052 7.491 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.326 6.387 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.406 4.636 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.058 3.978 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.270 3.484 -2.948 1.00 0.00 H new ATOM 571 N ALA A 40 -5.290 4.243 -2.130 1.00 0.00 N ATOM 572 CA ALA A 40 -3.891 3.881 -2.317 1.00 0.00 C ATOM 573 C ALA A 40 -3.647 2.422 -1.952 1.00 0.00 C ATOM 574 O ALA A 40 -3.210 1.627 -2.784 1.00 0.00 O ATOM 575 CB ALA A 40 -2.996 4.791 -1.489 1.00 0.00 C ATOM 0 H ALA A 40 -5.437 5.184 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.646 4.009 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.954 4.510 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.141 5.825 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.252 4.691 -0.434 1.00 0.00 H new ATOM 581 N PHE A 41 -3.934 2.074 -0.701 1.00 0.00 N ATOM 582 CA PHE A 41 -3.743 0.709 -0.224 1.00 0.00 C ATOM 583 C PHE A 41 -4.605 -0.269 -1.018 1.00 0.00 C ATOM 584 O PHE A 41 -4.185 -1.389 -1.307 1.00 0.00 O ATOM 585 CB PHE A 41 -4.084 0.614 1.265 1.00 0.00 C ATOM 586 CG PHE A 41 -3.082 1.294 2.153 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.746 0.931 2.118 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.477 2.297 3.024 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.821 1.555 2.934 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.556 2.924 3.842 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.227 2.553 3.798 1.00 0.00 C ATOM 0 H PHE A 41 -4.299 2.718 0.000 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.696 0.443 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.066 1.056 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.154 -0.436 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.423 0.151 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.515 2.592 3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.218 1.262 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.876 3.705 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.507 3.042 4.437 1.00 0.00 H new ATOM 601 N ASN A 42 -5.813 0.163 -1.366 1.00 0.00 N ATOM 602 CA ASN A 42 -6.735 -0.674 -2.125 1.00 0.00 C ATOM 603 C ASN A 42 -6.355 -0.701 -3.602 1.00 0.00 C ATOM 604 O ASN A 42 -7.058 -1.286 -4.424 1.00 0.00 O ATOM 605 CB ASN A 42 -8.168 -0.163 -1.965 1.00 0.00 C ATOM 606 CG ASN A 42 -8.609 -0.121 -0.515 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.743 -1.158 0.135 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.838 1.081 0.000 1.00 0.00 N ATOM 0 H ASN A 42 -6.176 1.088 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.672 -1.689 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.244 0.836 -2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.845 -0.805 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.138 1.171 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.714 1.914 -0.575 1.00 0.00 H new ATOM 615 N ALA A 43 -5.236 -0.063 -3.931 1.00 0.00 N ATOM 616 CA ALA A 43 -4.761 -0.016 -5.308 1.00 0.00 C ATOM 617 C ALA A 43 -3.587 -0.967 -5.516 1.00 0.00 C ATOM 618 O ALA A 43 -3.491 -1.633 -6.548 1.00 0.00 O ATOM 619 CB ALA A 43 -4.363 1.405 -5.681 1.00 0.00 C ATOM 0 H ALA A 43 -4.642 0.428 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.575 -0.337 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.010 1.425 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.226 2.063 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.567 1.746 -5.019 1.00 0.00 H new ATOM 625 N ILE A 44 -2.697 -1.026 -4.531 1.00 0.00 N ATOM 626 CA ILE A 44 -1.531 -1.898 -4.606 1.00 0.00 C ATOM 627 C ILE A 44 -1.944 -3.358 -4.754 1.00 0.00 C ATOM 628 O ILE A 44 -1.417 -4.081 -5.600 1.00 0.00 O ATOM 629 CB ILE A 44 -0.637 -1.751 -3.361 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.181 -0.299 -3.201 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.563 -2.681 -3.457 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.441 -0.005 -1.854 1.00 0.00 C ATOM 0 H ILE A 44 -2.761 -0.480 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.965 -1.593 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.218 -2.029 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.540 -0.065 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.036 0.360 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.185 -2.565 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.219 -3.713 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.146 -2.432 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.740 1.042 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.285 -0.207 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.317 -0.638 -1.711 1.00 0.00 H new ATOM 644 N VAL A 45 -2.891 -3.786 -3.924 1.00 0.00 N ATOM 645 CA VAL A 45 -3.377 -5.160 -3.963 1.00 0.00 C ATOM 646 C VAL A 45 -4.077 -5.457 -5.284 1.00 0.00 C ATOM 647 O VAL A 45 -3.623 -6.293 -6.067 1.00 0.00 O ATOM 648 CB VAL A 45 -4.349 -5.445 -2.804 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.861 -6.875 -2.874 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.676 -5.176 -1.466 1.00 0.00 C ATOM 0 H VAL A 45 -3.336 -3.201 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.506 -5.807 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.203 -4.774 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.547 -7.057 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.383 -7.029 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.021 -7.566 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.378 -5.383 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.803 -5.820 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.365 -4.132 -1.418 1.00 0.00 H new ATOM 660 N HIS A 46 -5.187 -4.768 -5.528 1.00 0.00 N ATOM 661 CA HIS A 46 -5.952 -4.957 -6.756 1.00 0.00 C ATOM 662 C HIS A 46 -5.025 -5.233 -7.935 1.00 0.00 C ATOM 663 O HIS A 46 -5.256 -6.155 -8.718 1.00 0.00 O ATOM 664 CB HIS A 46 -6.809 -3.724 -7.043 1.00 0.00 C ATOM 665 CG HIS A 46 -7.906 -3.974 -8.031 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.040 -3.260 -9.204 1.00 0.00 N ATOM 667 CD2 HIS A 46 -8.923 -4.866 -8.018 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.093 -3.702 -9.867 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.647 -4.678 -9.169 1.00 0.00 N ATOM 0 H HIS A 46 -5.577 -4.073 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.605 -5.819 -6.620 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.246 -3.370 -6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.168 -2.926 -7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.127 -5.592 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.442 -3.329 -10.818 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.477 -5.205 -9.441 1.00 0.00 H new ATOM 678 N LYS A 47 -3.975 -4.427 -8.058 1.00 0.00 N ATOM 679 CA LYS A 47 -3.012 -4.585 -9.141 1.00 0.00 C ATOM 680 C LYS A 47 -2.434 -5.996 -9.155 1.00 0.00 C ATOM 681 O LYS A 47 -2.374 -6.643 -10.201 1.00 0.00 O ATOM 682 CB LYS A 47 -1.883 -3.561 -9.000 1.00 0.00 C ATOM 683 CG LYS A 47 -1.040 -3.409 -10.255 1.00 0.00 C ATOM 684 CD LYS A 47 -1.754 -2.578 -11.308 1.00 0.00 C ATOM 685 CE LYS A 47 -0.770 -1.946 -12.280 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.444 -2.858 -13.411 1.00 0.00 N ATOM 0 H LYS A 47 -3.770 -3.658 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.533 -4.416 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.312 -2.593 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.238 -3.856 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.090 -2.939 -10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.810 -4.394 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.455 -3.207 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.339 -1.797 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.190 -1.019 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.146 -1.683 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.229 -2.390 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.020 -3.732 -13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.314 -3.089 -13.932 1.00 0.00 H new ATOM 700 N HIS A 48 -2.010 -6.469 -7.987 1.00 0.00 N ATOM 701 CA HIS A 48 -1.438 -7.806 -7.865 1.00 0.00 C ATOM 702 C HIS A 48 -2.524 -8.872 -7.975 1.00 0.00 C ATOM 703 O HIS A 48 -2.449 -9.762 -8.822 1.00 0.00 O ATOM 704 CB HIS A 48 -0.700 -7.948 -6.533 1.00 0.00 C ATOM 705 CG HIS A 48 0.250 -6.825 -6.253 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.420 -6.065 -5.146 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 1.168 -6.368 -7.175 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.429 -5.172 -5.416 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.864 -5.377 -6.646 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.052 -5.947 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.729 -7.948 -8.681 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.431 -8.005 -5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.149 -8.888 -6.531 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.103 -6.141 -4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.298 -6.759 -8.173 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.805 -4.424 -4.733 1.00 0.00 H new ATOM 718 N ARG A 49 -3.531 -8.777 -7.113 1.00 0.00 N ATOM 719 CA ARG A 49 -4.629 -9.735 -7.112 1.00 0.00 C ATOM 720 C ARG A 49 -5.958 -9.038 -7.388 1.00 0.00 C ATOM 721 O ARG A 49 -6.649 -8.579 -6.477 1.00 0.00 O ATOM 722 CB ARG A 49 -4.695 -10.467 -5.772 1.00 0.00 C ATOM 723 CG ARG A 49 -3.500 -11.370 -5.512 1.00 0.00 C ATOM 724 CD ARG A 49 -3.754 -12.785 -6.008 1.00 0.00 C ATOM 725 NE ARG A 49 -4.156 -12.810 -7.411 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.296 -12.835 -8.423 1.00 0.00 C ATOM 727 NH1 ARG A 49 -1.991 -12.841 -8.188 1.00 0.00 N ATOM 728 NH2 ARG A 49 -3.740 -12.856 -9.673 1.00 0.00 N ATOM 0 H ARG A 49 -3.609 -8.046 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.446 -10.460 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.766 -9.733 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.606 -11.065 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.619 -10.962 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.284 -11.391 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.851 -13.382 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.531 -13.248 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.153 -12.808 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.646 -12.826 -7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.333 -12.860 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.743 -12.853 -9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.078 -12.875 -10.449 1.00 0.00 H new ATOM 742 N PRO A 50 -6.328 -8.954 -8.675 1.00 0.00 N ATOM 743 CA PRO A 50 -7.576 -8.315 -9.100 1.00 0.00 C ATOM 744 C PRO A 50 -8.807 -9.120 -8.698 1.00 0.00 C ATOM 745 O PRO A 50 -9.935 -8.761 -9.039 1.00 0.00 O ATOM 746 CB PRO A 50 -7.446 -8.263 -10.625 1.00 0.00 C ATOM 747 CG PRO A 50 -6.518 -9.377 -10.964 1.00 0.00 C ATOM 748 CD PRO A 50 -5.555 -9.479 -9.813 1.00 0.00 C ATOM 0 HA PRO A 50 -7.712 -7.338 -8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.414 -8.393 -11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.050 -7.303 -10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.063 -10.311 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.991 -9.176 -11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.239 -10.508 -9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.653 -8.893 -9.991 1.00 0.00 H new ATOM 756 N ASP A 51 -8.584 -10.210 -7.972 1.00 0.00 N ATOM 757 CA ASP A 51 -9.675 -11.066 -7.521 1.00 0.00 C ATOM 758 C ASP A 51 -10.149 -10.655 -6.131 1.00 0.00 C ATOM 759 O ASP A 51 -11.348 -10.526 -5.885 1.00 0.00 O ATOM 760 CB ASP A 51 -9.232 -12.529 -7.512 1.00 0.00 C ATOM 761 CG ASP A 51 -8.522 -12.929 -8.790 1.00 0.00 C ATOM 762 OD1 ASP A 51 -9.087 -12.698 -9.880 1.00 0.00 O ATOM 763 OD2 ASP A 51 -7.401 -13.471 -8.701 1.00 0.00 O ATOM 0 H ASP A 51 -7.657 -10.522 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.507 -10.951 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.569 -12.699 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.103 -13.168 -7.369 1.00 0.00 H new ATOM 768 N LEU A 52 -9.200 -10.453 -5.223 1.00 0.00 N ATOM 769 CA LEU A 52 -9.520 -10.058 -3.856 1.00 0.00 C ATOM 770 C LEU A 52 -10.618 -9.001 -3.837 1.00 0.00 C ATOM 771 O LEU A 52 -11.709 -9.233 -3.315 1.00 0.00 O ATOM 772 CB LEU A 52 -8.270 -9.525 -3.153 1.00 0.00 C ATOM 773 CG LEU A 52 -7.053 -10.450 -3.153 1.00 0.00 C ATOM 774 CD1 LEU A 52 -5.940 -9.866 -2.298 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.437 -11.836 -2.659 1.00 0.00 C ATOM 0 H LEU A 52 -8.202 -10.556 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.881 -10.939 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.986 -8.584 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.528 -9.298 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.688 -10.540 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.082 -10.538 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.646 -8.895 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.293 -9.746 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.558 -12.481 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.827 -11.765 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.201 -12.257 -3.313 1.00 0.00 H new ATOM 787 N LEU A 53 -10.326 -7.840 -4.413 1.00 0.00 N ATOM 788 CA LEU A 53 -11.290 -6.747 -4.465 1.00 0.00 C ATOM 789 C LEU A 53 -11.513 -6.285 -5.903 1.00 0.00 C ATOM 790 O LEU A 53 -10.916 -6.821 -6.837 1.00 0.00 O ATOM 791 CB LEU A 53 -10.807 -5.573 -3.610 1.00 0.00 C ATOM 792 CG LEU A 53 -9.578 -4.827 -4.128 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.537 -3.414 -3.567 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.305 -5.581 -3.771 1.00 0.00 C ATOM 0 H LEU A 53 -9.429 -7.631 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.237 -7.112 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.626 -4.860 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.587 -5.945 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.646 -4.764 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.655 -2.897 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.433 -2.875 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.493 -3.456 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.441 -5.035 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.230 -5.676 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.332 -6.573 -4.221 1.00 0.00 H new ATOM 806 N ASP A 54 -12.374 -5.288 -6.071 1.00 0.00 N ATOM 807 CA ASP A 54 -12.673 -4.752 -7.394 1.00 0.00 C ATOM 808 C ASP A 54 -12.084 -3.354 -7.559 1.00 0.00 C ATOM 809 O ASP A 54 -11.544 -3.018 -8.613 1.00 0.00 O ATOM 810 CB ASP A 54 -14.185 -4.712 -7.621 1.00 0.00 C ATOM 811 CG ASP A 54 -14.556 -4.884 -9.081 1.00 0.00 C ATOM 812 OD1 ASP A 54 -13.721 -4.550 -9.949 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.680 -5.351 -9.357 1.00 0.00 O ATOM 0 H ASP A 54 -12.877 -4.835 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.219 -5.408 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.659 -5.499 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.579 -3.763 -7.258 1.00 0.00 H new ATOM 818 N PHE A 55 -12.195 -2.544 -6.512 1.00 0.00 N ATOM 819 CA PHE A 55 -11.675 -1.181 -6.542 1.00 0.00 C ATOM 820 C PHE A 55 -12.449 -0.327 -7.541 1.00 0.00 C ATOM 821 O PHE A 55 -11.907 0.617 -8.117 1.00 0.00 O ATOM 822 CB PHE A 55 -10.188 -1.188 -6.902 1.00 0.00 C ATOM 823 CG PHE A 55 -9.503 0.123 -6.642 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.128 0.482 -5.357 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.233 0.998 -7.682 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.497 1.687 -5.113 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.601 2.204 -7.445 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.234 2.550 -6.160 1.00 0.00 C ATOM 0 H PHE A 55 -12.640 -2.807 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.798 -0.749 -5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.688 -1.970 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.079 -1.443 -7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.332 -0.189 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.520 0.735 -8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.210 1.954 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.394 2.876 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.742 3.493 -5.973 1.00 0.00 H new ATOM 838 N GLU A 56 -13.718 -0.664 -7.742 1.00 0.00 N ATOM 839 CA GLU A 56 -14.566 0.071 -8.673 1.00 0.00 C ATOM 840 C GLU A 56 -15.826 0.578 -7.977 1.00 0.00 C ATOM 841 O GLU A 56 -16.377 1.615 -8.345 1.00 0.00 O ATOM 842 CB GLU A 56 -14.946 -0.815 -9.861 1.00 0.00 C ATOM 843 CG GLU A 56 -16.008 -1.851 -9.532 1.00 0.00 C ATOM 844 CD GLU A 56 -16.674 -2.417 -10.771 1.00 0.00 C ATOM 845 OE1 GLU A 56 -17.607 -1.768 -11.292 1.00 0.00 O ATOM 846 OE2 GLU A 56 -16.264 -3.508 -11.219 1.00 0.00 O ATOM 0 H GLU A 56 -14.182 -1.442 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.003 0.930 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.305 -0.184 -10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.053 -1.325 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.554 -2.664 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.765 -1.399 -8.891 1.00 0.00 H new ATOM 853 N SER A 57 -16.278 -0.164 -6.971 1.00 0.00 N ATOM 854 CA SER A 57 -17.476 0.206 -6.227 1.00 0.00 C ATOM 855 C SER A 57 -17.138 1.180 -5.103 1.00 0.00 C ATOM 856 O SER A 57 -17.910 2.091 -4.801 1.00 0.00 O ATOM 857 CB SER A 57 -18.150 -1.041 -5.652 1.00 0.00 C ATOM 858 OG SER A 57 -19.054 -1.609 -6.585 1.00 0.00 O ATOM 0 H SER A 57 -15.833 -1.025 -6.653 1.00 0.00 H new ATOM 0 HA SER A 57 -18.164 0.697 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.392 -1.776 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.682 -0.781 -4.737 1.00 0.00 H new ATOM 0 HG SER A 57 -19.470 -2.405 -6.194 1.00 0.00 H new ATOM 864 N LEU A 58 -15.978 0.981 -4.485 1.00 0.00 N ATOM 865 CA LEU A 58 -15.536 1.840 -3.393 1.00 0.00 C ATOM 866 C LEU A 58 -15.900 3.297 -3.664 1.00 0.00 C ATOM 867 O LEU A 58 -15.719 3.797 -4.773 1.00 0.00 O ATOM 868 CB LEU A 58 -14.025 1.710 -3.196 1.00 0.00 C ATOM 869 CG LEU A 58 -13.505 0.302 -2.906 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.985 0.296 -2.840 1.00 0.00 C ATOM 871 CD2 LEU A 58 -14.098 -0.229 -1.608 1.00 0.00 C ATOM 0 H LEU A 58 -15.327 0.232 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.045 1.520 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.529 2.082 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.728 2.362 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.816 -0.353 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.634 -0.715 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.578 0.633 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.653 0.965 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.717 -1.232 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.818 0.428 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.184 -0.263 -1.692 1.00 0.00 H new ATOM 883 N LYS A 59 -16.414 3.972 -2.642 1.00 0.00 N ATOM 884 CA LYS A 59 -16.803 5.371 -2.767 1.00 0.00 C ATOM 885 C LYS A 59 -15.851 6.272 -1.986 1.00 0.00 C ATOM 886 O LYS A 59 -15.730 6.155 -0.766 1.00 0.00 O ATOM 887 CB LYS A 59 -18.235 5.572 -2.267 1.00 0.00 C ATOM 888 CG LYS A 59 -19.278 4.857 -3.109 1.00 0.00 C ATOM 889 CD LYS A 59 -20.537 4.569 -2.310 1.00 0.00 C ATOM 890 CE LYS A 59 -20.458 3.220 -1.613 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.808 2.696 -1.262 1.00 0.00 N ATOM 0 H LYS A 59 -16.571 3.572 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.752 5.642 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.305 5.218 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.460 6.638 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.528 5.468 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.864 3.922 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.687 5.354 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.402 4.587 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.949 2.506 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.858 3.314 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.711 1.775 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.285 3.365 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.372 2.582 -2.128 1.00 0.00 H new ATOM 905 N LYS A 60 -15.177 7.171 -2.695 1.00 0.00 N ATOM 906 CA LYS A 60 -14.238 8.094 -2.070 1.00 0.00 C ATOM 907 C LYS A 60 -14.821 8.675 -0.785 1.00 0.00 C ATOM 908 O LYS A 60 -14.137 8.758 0.236 1.00 0.00 O ATOM 909 CB LYS A 60 -13.880 9.225 -3.037 1.00 0.00 C ATOM 910 CG LYS A 60 -13.109 8.758 -4.258 1.00 0.00 C ATOM 911 CD LYS A 60 -12.766 9.918 -5.179 1.00 0.00 C ATOM 912 CE LYS A 60 -11.676 9.540 -6.169 1.00 0.00 C ATOM 913 NZ LYS A 60 -11.239 10.706 -6.986 1.00 0.00 N ATOM 0 H LYS A 60 -15.264 7.280 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.334 7.539 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.796 9.717 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.288 9.971 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.192 8.260 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.700 8.022 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.659 10.230 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.439 10.771 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.820 9.134 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.041 8.752 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.495 10.407 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.049 11.078 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.867 11.448 -6.360 1.00 0.00 H new ATOM 927 N CYS A 61 -16.086 9.074 -0.842 1.00 0.00 N ATOM 928 CA CYS A 61 -16.761 9.647 0.317 1.00 0.00 C ATOM 929 C CYS A 61 -16.303 8.967 1.604 1.00 0.00 C ATOM 930 O CYS A 61 -15.756 9.611 2.497 1.00 0.00 O ATOM 931 CB CYS A 61 -18.277 9.514 0.168 1.00 0.00 C ATOM 932 SG CYS A 61 -19.222 10.705 1.146 1.00 0.00 S ATOM 0 H CYS A 61 -16.666 9.011 -1.679 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.500 10.704 0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.540 9.633 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.573 8.506 0.458 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.493 10.515 0.952 1.00 0.00 H new ATOM 938 N ASN A 62 -16.532 7.660 1.690 1.00 0.00 N ATOM 939 CA ASN A 62 -16.144 6.893 2.868 1.00 0.00 C ATOM 940 C ASN A 62 -14.687 6.451 2.774 1.00 0.00 C ATOM 941 O ASN A 62 -14.264 5.886 1.766 1.00 0.00 O ATOM 942 CB ASN A 62 -17.051 5.670 3.026 1.00 0.00 C ATOM 943 CG ASN A 62 -17.024 4.769 1.808 1.00 0.00 C ATOM 944 OD1 ASN A 62 -17.914 4.826 0.960 1.00 0.00 O ATOM 945 ND2 ASN A 62 -16.000 3.929 1.715 1.00 0.00 N ATOM 0 H ASN A 62 -16.984 7.111 0.959 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.254 7.535 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.740 5.101 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.074 6.001 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.929 3.297 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.284 3.915 2.441 1.00 0.00 H new ATOM 952 N ALA A 63 -13.926 6.710 3.832 1.00 0.00 N ATOM 953 CA ALA A 63 -12.517 6.338 3.871 1.00 0.00 C ATOM 954 C ALA A 63 -12.279 5.196 4.853 1.00 0.00 C ATOM 955 O ALA A 63 -11.580 4.231 4.541 1.00 0.00 O ATOM 956 CB ALA A 63 -11.663 7.540 4.240 1.00 0.00 C ATOM 0 H ALA A 63 -14.262 7.177 4.675 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.230 5.995 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.613 7.247 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.802 8.327 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.960 7.910 5.221 1.00 0.00 H new ATOM 962 N HIS A 64 -12.864 5.311 6.041 1.00 0.00 N ATOM 963 CA HIS A 64 -12.714 4.288 7.069 1.00 0.00 C ATOM 964 C HIS A 64 -12.873 2.892 6.474 1.00 0.00 C ATOM 965 O HIS A 64 -12.019 2.025 6.663 1.00 0.00 O ATOM 966 CB HIS A 64 -13.741 4.500 8.182 1.00 0.00 C ATOM 967 CG HIS A 64 -13.377 3.825 9.469 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.608 4.426 10.444 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.682 2.592 9.939 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.455 3.593 11.457 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.098 2.473 11.177 1.00 0.00 N ATOM 0 H HIS A 64 -13.446 6.102 6.315 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.711 4.373 7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.855 5.569 8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.709 4.128 7.847 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.274 1.842 9.435 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.899 3.793 12.361 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.152 1.653 11.782 1.00 0.00 H new ATOM 980 N TYR A 65 -13.970 2.681 5.755 1.00 0.00 N ATOM 981 CA TYR A 65 -14.241 1.391 5.135 1.00 0.00 C ATOM 982 C TYR A 65 -13.121 1.000 4.176 1.00 0.00 C ATOM 983 O TYR A 65 -12.533 -0.073 4.294 1.00 0.00 O ATOM 984 CB TYR A 65 -15.576 1.430 4.388 1.00 0.00 C ATOM 985 CG TYR A 65 -15.914 0.136 3.683 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.235 -0.250 2.533 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.912 -0.701 4.166 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.541 -1.430 1.885 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.224 -1.884 3.525 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.535 -2.244 2.385 1.00 0.00 C ATOM 991 OH TYR A 65 -16.843 -3.422 1.743 1.00 0.00 O ATOM 0 H TYR A 65 -14.686 3.388 5.588 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.296 0.642 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.371 1.667 5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.549 2.237 3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.454 0.384 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.453 -0.422 5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.005 -1.714 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.003 -2.523 3.914 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.565 -3.878 2.224 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.831 1.883 3.225 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.780 1.632 2.244 1.00 0.00 C ATOM 1003 C ASN A 66 -10.481 1.222 2.931 1.00 0.00 C ATOM 1004 O ASN A 66 -9.789 0.307 2.481 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.545 2.877 1.389 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.416 2.898 0.147 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -12.226 2.102 -0.773 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -13.379 3.813 0.115 1.00 0.00 N ATOM 0 H ASN A 66 -13.308 2.777 3.113 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.105 0.813 1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.746 3.767 1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.496 2.920 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.996 3.875 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.501 4.453 0.900 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.156 1.902 4.024 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.940 1.609 4.776 1.00 0.00 C ATOM 1017 C LEU A 67 -9.010 0.220 5.405 1.00 0.00 C ATOM 1018 O LEU A 67 -8.269 -0.684 5.018 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.721 2.662 5.862 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.157 4.003 5.393 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.414 5.084 6.432 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.668 3.884 5.103 1.00 0.00 C ATOM 0 H LEU A 67 -10.718 2.661 4.410 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.100 1.632 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.673 2.845 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.045 2.248 6.610 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.665 4.286 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.005 6.031 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.487 5.188 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.934 4.808 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.284 4.848 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.144 3.578 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.508 3.141 4.322 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.905 0.060 6.373 1.00 0.00 N ATOM 1035 CA GLN A 68 -10.073 -1.220 7.053 1.00 0.00 C ATOM 1036 C GLN A 68 -10.163 -2.363 6.048 1.00 0.00 C ATOM 1037 O GLN A 68 -9.657 -3.457 6.291 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.326 -1.194 7.930 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.613 -1.444 7.160 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.791 -1.729 8.070 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.943 -2.841 8.577 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.634 -0.724 8.281 1.00 0.00 N ATOM 0 H GLN A 68 -10.525 0.799 6.705 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.200 -1.385 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.228 -1.947 8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.392 -0.226 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.838 -0.574 6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.469 -2.286 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.469 0.181 7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.446 -0.857 8.884 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.814 -2.101 4.918 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.972 -3.109 3.876 1.00 0.00 C ATOM 1053 C ASN A 69 -9.621 -3.691 3.473 1.00 0.00 C ATOM 1054 O ASN A 69 -9.419 -4.904 3.513 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.666 -2.505 2.655 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.264 -3.562 1.747 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -13.383 -4.024 1.970 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.519 -3.950 0.719 1.00 0.00 N ATOM 0 H ASN A 69 -11.240 -1.200 4.701 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.589 -3.914 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.453 -1.827 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.949 -1.909 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.869 -4.659 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.597 -3.539 0.574 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.699 -2.816 3.086 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.366 -3.243 2.677 1.00 0.00 C ATOM 1067 C ALA A 70 -6.620 -3.899 3.834 1.00 0.00 C ATOM 1068 O ALA A 70 -6.101 -5.007 3.702 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.574 -2.059 2.141 1.00 0.00 C ATOM 0 H ALA A 70 -8.850 -1.808 3.047 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.476 -3.983 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.581 -2.392 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.091 -1.635 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.482 -1.301 2.919 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.571 -3.207 4.967 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.888 -3.723 6.148 1.00 0.00 C ATOM 1077 C PHE A 71 -6.309 -5.161 6.436 1.00 0.00 C ATOM 1078 O PHE A 71 -5.480 -6.008 6.763 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.184 -2.839 7.362 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.539 -1.485 7.289 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.212 -1.355 6.912 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.259 -0.342 7.598 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.616 -0.110 6.846 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.668 0.905 7.533 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.345 1.022 7.155 1.00 0.00 C ATOM 0 H PHE A 71 -6.996 -2.288 5.093 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.816 -3.710 5.951 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.263 -2.714 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.842 -3.347 8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.637 -2.236 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.294 -0.427 7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.580 -0.022 6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.240 1.788 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.881 1.996 7.101 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.606 -5.427 6.313 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.138 -6.761 6.560 1.00 0.00 C ATOM 1097 C ASN A 72 -7.728 -7.727 5.452 1.00 0.00 C ATOM 1098 O ASN A 72 -7.076 -8.740 5.706 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.664 -6.712 6.670 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.132 -5.969 7.906 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -11.025 -5.006 7.715 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.694 -6.259 9.020 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.307 -4.736 6.044 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.723 -7.120 7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.074 -6.230 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.057 -7.729 6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.008 -7.007 9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.017 -5.751 9.843 1.00 0.00 H new ATOM 1109 N LEU A 73 -8.112 -7.404 4.222 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.784 -8.240 3.073 1.00 0.00 C ATOM 1111 C LEU A 73 -6.313 -8.643 3.096 1.00 0.00 C ATOM 1112 O LEU A 73 -5.981 -9.826 3.015 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.102 -7.502 1.772 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.533 -7.645 1.252 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.705 -6.886 -0.053 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.890 -9.113 1.068 1.00 0.00 C ATOM 0 H LEU A 73 -8.651 -6.569 3.995 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.391 -9.144 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.894 -6.442 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.419 -7.857 1.000 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.211 -7.216 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.729 -6.999 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.492 -5.829 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.017 -7.284 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.912 -9.195 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.206 -9.567 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.808 -9.630 2.024 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.434 -7.652 3.208 1.00 0.00 N ATOM 1129 CA ALA A 74 -4.000 -7.903 3.246 1.00 0.00 C ATOM 1130 C ALA A 74 -3.617 -8.719 4.477 1.00 0.00 C ATOM 1131 O ALA A 74 -2.590 -9.397 4.488 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.233 -6.589 3.222 1.00 0.00 C ATOM 0 H ALA A 74 -5.691 -6.667 3.274 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.735 -8.482 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.162 -6.792 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.474 -6.043 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.512 -5.989 4.088 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.450 -8.647 5.511 1.00 0.00 N ATOM 1139 CA GLU A 75 -4.196 -9.379 6.747 1.00 0.00 C ATOM 1140 C GLU A 75 -4.843 -10.760 6.704 1.00 0.00 C ATOM 1141 O GLU A 75 -4.549 -11.621 7.532 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.726 -8.593 7.948 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.528 -9.304 9.276 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.598 -10.344 9.546 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.788 -10.047 9.304 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.248 -11.453 9.999 1.00 0.00 O ATOM 0 H GLU A 75 -5.305 -8.090 5.518 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.118 -9.505 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.228 -7.624 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.789 -8.399 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.550 -9.784 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.529 -8.569 10.081 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.726 -10.964 5.731 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.415 -12.239 5.579 1.00 0.00 C ATOM 1155 C LYS A 76 -5.835 -13.034 4.413 1.00 0.00 C ATOM 1156 O LYS A 76 -5.272 -14.111 4.605 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.912 -12.010 5.357 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.724 -13.293 5.315 1.00 0.00 C ATOM 1159 CD LYS A 76 -10.177 -13.045 5.687 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.932 -12.360 4.559 1.00 0.00 C ATOM 1161 NZ LYS A 76 -12.171 -11.693 5.047 1.00 0.00 N ATOM 0 H LYS A 76 -5.981 -10.262 5.036 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.273 -12.812 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.296 -11.373 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.053 -11.470 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.672 -13.725 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.291 -14.022 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.659 -13.993 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.224 -12.428 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.285 -11.622 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.191 -13.095 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.658 -11.238 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.800 -12.401 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.922 -10.974 5.756 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.975 -12.495 3.206 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.463 -13.156 2.011 1.00 0.00 C ATOM 1177 C GLU A 77 -3.947 -13.317 2.086 1.00 0.00 C ATOM 1178 O GLU A 77 -3.435 -14.432 2.197 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.842 -12.359 0.760 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.335 -12.116 0.621 1.00 0.00 C ATOM 1181 CD GLU A 77 -8.114 -13.396 0.385 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -8.081 -13.909 -0.753 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.757 -13.884 1.338 1.00 0.00 O ATOM 0 H GLU A 77 -6.438 -11.603 3.030 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.913 -14.147 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.327 -11.399 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.486 -12.892 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.706 -11.630 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.512 -11.429 -0.207 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.235 -12.197 2.022 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.778 -12.214 2.082 1.00 0.00 C ATOM 1192 C LEU A 78 -1.293 -12.743 3.427 1.00 0.00 C ATOM 1193 O LEU A 78 -0.429 -13.616 3.488 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.223 -10.808 1.845 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.846 -10.027 0.686 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.354 -8.587 0.688 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.527 -10.698 -0.642 1.00 0.00 C ATOM 0 H LEU A 78 -3.643 -11.267 1.929 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.415 -12.880 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.354 -10.229 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.150 -10.887 1.668 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.928 -10.021 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.807 -8.046 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.632 -8.109 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.269 -8.573 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.978 -10.129 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.446 -10.735 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.928 -11.712 -0.643 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.860 -12.210 4.506 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.475 -12.644 5.837 1.00 0.00 C ATOM 1211 C GLY A 79 -0.481 -11.703 6.488 1.00 0.00 C ATOM 1212 O GLY A 79 0.474 -12.143 7.130 1.00 0.00 O ATOM 0 H GLY A 79 -2.578 -11.486 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.364 -12.718 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.041 -13.642 5.779 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.703 -10.404 6.322 1.00 0.00 N ATOM 1217 CA LEU A 80 0.182 -9.396 6.897 1.00 0.00 C ATOM 1218 C LEU A 80 -0.433 -8.784 8.153 1.00 0.00 C ATOM 1219 O LEU A 80 -1.645 -8.847 8.358 1.00 0.00 O ATOM 1220 CB LEU A 80 0.474 -8.299 5.872 1.00 0.00 C ATOM 1221 CG LEU A 80 1.258 -8.731 4.633 1.00 0.00 C ATOM 1222 CD1 LEU A 80 0.899 -7.857 3.442 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.756 -8.677 4.904 1.00 0.00 C ATOM 0 H LEU A 80 -1.488 -10.023 5.794 1.00 0.00 H new ATOM 0 HA LEU A 80 1.117 -9.884 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.474 -7.872 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.028 -7.503 6.369 1.00 0.00 H new ATOM 0 HG LEU A 80 0.988 -9.760 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.467 -8.180 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.167 -7.946 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.139 -6.818 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.299 -8.988 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.042 -7.658 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.001 -9.346 5.729 1.00 0.00 H new ATOM 1235 N THR A 81 0.412 -8.190 8.990 1.00 0.00 N ATOM 1236 CA THR A 81 -0.047 -7.566 10.224 1.00 0.00 C ATOM 1237 C THR A 81 -0.264 -6.069 10.034 1.00 0.00 C ATOM 1238 O THR A 81 0.691 -5.308 9.871 1.00 0.00 O ATOM 1239 CB THR A 81 0.955 -7.787 11.372 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.107 -9.188 11.627 1.00 0.00 O ATOM 1241 CG2 THR A 81 0.492 -7.082 12.638 1.00 0.00 C ATOM 0 H THR A 81 1.418 -8.128 8.835 1.00 0.00 H new ATOM 0 HA THR A 81 -0.995 -8.038 10.484 1.00 0.00 H new ATOM 0 HB THR A 81 1.915 -7.367 11.073 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.747 -9.320 12.357 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.216 -7.253 13.435 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.407 -6.012 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.479 -7.476 12.939 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.525 -5.651 10.057 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.868 -4.244 9.891 1.00 0.00 C ATOM 1251 C LYS A 82 -1.239 -3.396 10.991 1.00 0.00 C ATOM 1252 O LYS A 82 -1.852 -3.154 12.031 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.388 -4.063 9.902 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.059 -4.626 11.143 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.526 -4.934 10.893 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.048 -5.982 11.863 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.505 -5.820 12.124 1.00 0.00 N ATOM 0 H LYS A 82 -2.327 -6.267 10.189 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.474 -3.912 8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.619 -3.001 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.809 -4.546 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.544 -5.534 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.971 -3.911 11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.113 -4.021 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.656 -5.287 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.860 -6.977 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.501 -5.911 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.822 -6.553 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.682 -4.881 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.030 -5.913 11.231 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.010 -2.947 10.755 1.00 0.00 N ATOM 1272 CA LEU A 83 0.702 -2.123 11.726 1.00 0.00 C ATOM 1273 C LEU A 83 -0.074 -0.848 12.033 1.00 0.00 C ATOM 1274 O LEU A 83 -0.102 -0.384 13.175 1.00 0.00 O ATOM 1275 CB LEU A 83 2.096 -1.773 11.201 1.00 0.00 C ATOM 1276 CG LEU A 83 2.921 -2.938 10.654 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.209 -2.432 10.026 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.222 -3.941 11.758 1.00 0.00 C ATOM 0 H LEU A 83 0.513 -3.140 9.901 1.00 0.00 H new ATOM 0 HA LEU A 83 0.801 -2.695 12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.988 -1.029 10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.659 -1.303 12.008 1.00 0.00 H new ATOM 0 HG LEU A 83 2.338 -3.440 9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.783 -3.276 9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.972 -1.752 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.797 -1.905 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.810 -4.764 11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.785 -3.450 12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.287 -4.328 12.163 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.707 -0.285 11.009 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.486 0.937 11.169 1.00 0.00 C ATOM 1292 C LEU A 84 -2.967 0.618 11.349 1.00 0.00 C ATOM 1293 O LEU A 84 -3.366 -0.546 11.346 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.293 1.851 9.958 1.00 0.00 C ATOM 1295 CG LEU A 84 0.153 2.206 9.609 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.231 2.820 8.220 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.735 3.155 10.646 1.00 0.00 C ATOM 0 H LEU A 84 -0.696 -0.656 10.059 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.132 1.450 12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.748 1.373 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.841 2.777 10.136 1.00 0.00 H new ATOM 0 HG LEU A 84 0.743 1.289 9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.267 3.066 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.145 2.108 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.373 3.727 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.764 3.396 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.143 4.070 10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.715 2.679 11.627 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.776 1.661 11.504 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.214 1.492 11.681 1.00 0.00 C ATOM 1311 C ASP A 85 -5.989 2.426 10.758 1.00 0.00 C ATOM 1312 O ASP A 85 -5.514 3.496 10.376 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.605 1.754 13.137 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.060 0.700 14.082 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -3.825 0.643 14.259 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.869 -0.067 14.644 1.00 0.00 O ATOM 0 H ASP A 85 -3.461 2.631 11.511 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.468 0.464 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.236 2.734 13.439 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.692 1.784 13.219 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.211 2.014 10.388 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.077 2.799 9.504 1.00 0.00 C ATOM 1323 C PRO A 86 -8.601 4.063 10.178 1.00 0.00 C ATOM 1324 O PRO A 86 -9.345 4.835 9.575 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.230 1.841 9.195 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.267 0.906 10.353 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.841 0.749 10.805 1.00 0.00 C ATOM 0 HA PRO A 86 -7.546 3.149 8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.173 2.378 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.061 1.307 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.889 1.303 11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.693 -0.055 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.775 0.603 11.883 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.363 -0.112 10.337 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.205 4.267 11.431 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.636 5.438 12.186 1.00 0.00 C ATOM 1337 C GLU A 87 -7.452 6.348 12.501 1.00 0.00 C ATOM 1338 O GLU A 87 -7.574 7.572 12.478 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.324 5.010 13.483 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.491 4.065 14.332 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.260 3.509 15.514 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.261 4.137 15.920 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -8.862 2.445 16.033 1.00 0.00 O ATOM 0 H GLU A 87 -7.587 3.638 11.944 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.346 5.994 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.560 5.898 14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.271 4.527 13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.140 3.240 13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.607 4.591 14.694 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.309 5.740 12.795 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.101 6.494 13.115 1.00 0.00 C ATOM 1352 C ASP A 88 -4.532 7.161 11.867 1.00 0.00 C ATOM 1353 O ASP A 88 -4.152 8.332 11.895 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.052 5.575 13.742 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.221 5.443 15.242 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.660 6.424 15.879 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.913 4.359 15.782 1.00 0.00 O ATOM 0 H ASP A 88 -6.192 4.727 12.819 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.365 7.271 13.832 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.117 4.588 13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.057 5.963 13.524 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.474 6.408 10.773 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.950 6.927 9.515 1.00 0.00 C ATOM 1364 C VAL A 89 -4.822 8.057 8.981 1.00 0.00 C ATOM 1365 O VAL A 89 -4.321 9.113 8.598 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.855 5.819 8.449 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.373 6.393 7.125 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.936 4.702 8.921 1.00 0.00 C ATOM 0 H VAL A 89 -4.783 5.437 10.732 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.951 7.310 9.721 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.849 5.400 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.312 5.596 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.073 7.155 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.388 6.840 7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.881 3.928 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.939 5.104 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.329 4.273 9.843 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.132 7.828 8.960 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.074 8.829 8.473 1.00 0.00 C ATOM 1380 C ASN A 90 -7.016 10.093 9.325 1.00 0.00 C ATOM 1381 O ASN A 90 -7.757 10.233 10.298 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.496 8.263 8.476 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.443 9.076 7.615 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.019 9.960 6.870 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.734 8.780 7.713 1.00 0.00 N ATOM 0 H ASN A 90 -6.564 6.959 9.274 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.794 9.089 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.475 7.234 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.871 8.236 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.419 9.293 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.041 8.039 8.344 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.129 11.010 8.953 1.00 0.00 N ATOM 1393 CA VAL A 91 -5.974 12.263 9.681 1.00 0.00 C ATOM 1394 C VAL A 91 -5.405 13.356 8.782 1.00 0.00 C ATOM 1395 O VAL A 91 -4.923 13.080 7.684 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.053 12.091 10.905 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.631 11.783 10.464 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.091 13.336 11.779 1.00 0.00 C ATOM 0 H VAL A 91 -5.507 10.908 8.151 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.968 12.556 10.020 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.415 11.249 11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.995 11.665 11.342 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.622 10.861 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.255 12.602 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.435 13.197 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.755 14.197 11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.111 13.507 12.124 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.467 14.595 9.255 1.00 0.00 N ATOM 1409 CA ASP A 92 -4.958 15.729 8.495 1.00 0.00 C ATOM 1410 C ASP A 92 -3.536 15.465 8.010 1.00 0.00 C ATOM 1411 O ASP A 92 -3.251 15.555 6.816 1.00 0.00 O ATOM 1412 CB ASP A 92 -4.991 16.999 9.347 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.402 17.411 9.718 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.341 17.038 8.984 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -6.568 18.107 10.741 1.00 0.00 O ATOM 0 H ASP A 92 -5.865 14.840 10.162 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.600 15.868 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.412 16.838 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.510 17.811 8.802 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.648 15.139 8.944 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.255 14.863 8.613 1.00 0.00 C ATOM 1422 C GLN A 93 -0.761 13.614 9.333 1.00 0.00 C ATOM 1423 O GLN A 93 -0.155 13.684 10.403 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.375 16.060 8.978 1.00 0.00 C ATOM 1425 CG GLN A 93 -0.620 17.283 8.110 1.00 0.00 C ATOM 1426 CD GLN A 93 0.179 17.253 6.821 1.00 0.00 C ATOM 1427 OE1 GLN A 93 1.354 16.888 6.814 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.457 17.638 5.721 1.00 0.00 N ATOM 0 H GLN A 93 -2.869 15.060 9.937 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.191 14.689 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.550 16.324 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.672 15.769 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.682 17.349 7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.362 18.181 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.432 17.933 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.029 17.639 4.824 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.025 12.442 8.737 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.615 11.154 9.304 1.00 0.00 C ATOM 1439 C PRO A 94 0.895 10.952 9.253 1.00 0.00 C ATOM 1440 O PRO A 94 1.526 11.184 8.221 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.322 10.132 8.411 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.526 10.837 7.115 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.743 12.284 7.460 1.00 0.00 C ATOM 0 HA PRO A 94 -0.877 11.072 10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.718 9.234 8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.272 9.818 8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.659 10.717 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.385 10.430 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.344 12.945 6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.803 12.518 7.563 1.00 0.00 H new ATOM 1451 N ASP A 95 1.467 10.519 10.370 1.00 0.00 N ATOM 1452 CA ASP A 95 2.905 10.285 10.452 1.00 0.00 C ATOM 1453 C ASP A 95 3.392 9.472 9.255 1.00 0.00 C ATOM 1454 O ASP A 95 3.299 8.245 9.248 1.00 0.00 O ATOM 1455 CB ASP A 95 3.251 9.558 11.752 1.00 0.00 C ATOM 1456 CG ASP A 95 2.892 10.368 12.982 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.512 11.431 13.194 1.00 0.00 O ATOM 1458 OD2 ASP A 95 1.989 9.940 13.731 1.00 0.00 O ATOM 0 H ASP A 95 0.958 10.323 11.232 1.00 0.00 H new ATOM 0 HA ASP A 95 3.407 11.252 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.725 8.604 11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.318 9.334 11.767 1.00 0.00 H new ATOM 1463 N GLU A 96 3.907 10.166 8.246 1.00 0.00 N ATOM 1464 CA GLU A 96 4.407 9.509 7.044 1.00 0.00 C ATOM 1465 C GLU A 96 5.369 8.379 7.401 1.00 0.00 C ATOM 1466 O GLU A 96 5.328 7.301 6.807 1.00 0.00 O ATOM 1467 CB GLU A 96 5.105 10.521 6.134 1.00 0.00 C ATOM 1468 CG GLU A 96 6.358 11.125 6.747 1.00 0.00 C ATOM 1469 CD GLU A 96 6.622 12.537 6.260 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.650 13.231 5.898 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.802 12.948 6.243 1.00 0.00 O ATOM 0 H GLU A 96 3.989 11.183 8.237 1.00 0.00 H new ATOM 0 HA GLU A 96 3.555 9.083 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.368 10.033 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.406 11.322 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.260 11.131 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.215 10.496 6.508 1.00 0.00 H new ATOM 1478 N LYS A 97 6.236 8.635 8.375 1.00 0.00 N ATOM 1479 CA LYS A 97 7.210 7.642 8.814 1.00 0.00 C ATOM 1480 C LYS A 97 6.513 6.368 9.282 1.00 0.00 C ATOM 1481 O LYS A 97 7.021 5.263 9.086 1.00 0.00 O ATOM 1482 CB LYS A 97 8.074 8.208 9.943 1.00 0.00 C ATOM 1483 CG LYS A 97 8.929 9.390 9.519 1.00 0.00 C ATOM 1484 CD LYS A 97 10.049 8.961 8.586 1.00 0.00 C ATOM 1485 CE LYS A 97 10.496 10.105 7.689 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.479 10.993 8.372 1.00 0.00 N ATOM 0 H LYS A 97 6.284 9.522 8.876 1.00 0.00 H new ATOM 0 HA LYS A 97 7.849 7.396 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.428 8.514 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.722 7.419 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.304 10.132 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.353 9.869 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.896 8.605 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.713 8.126 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.942 9.701 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.628 10.690 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.759 11.760 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.046 11.398 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.319 10.441 8.639 1.00 0.00 H new ATOM 1500 N SER A 98 5.350 6.529 9.903 1.00 0.00 N ATOM 1501 CA SER A 98 4.585 5.391 10.401 1.00 0.00 C ATOM 1502 C SER A 98 3.935 4.627 9.251 1.00 0.00 C ATOM 1503 O SER A 98 3.452 3.509 9.430 1.00 0.00 O ATOM 1504 CB SER A 98 3.513 5.863 11.386 1.00 0.00 C ATOM 1505 OG SER A 98 3.164 4.830 12.291 1.00 0.00 O ATOM 0 H SER A 98 4.916 7.436 10.074 1.00 0.00 H new ATOM 0 HA SER A 98 5.272 4.720 10.916 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.878 6.728 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.628 6.186 10.838 1.00 0.00 H new ATOM 0 HG SER A 98 2.479 5.156 12.911 1.00 0.00 H new ATOM 1511 N ILE A 99 3.927 5.240 8.072 1.00 0.00 N ATOM 1512 CA ILE A 99 3.339 4.618 6.893 1.00 0.00 C ATOM 1513 C ILE A 99 4.411 3.987 6.010 1.00 0.00 C ATOM 1514 O ILE A 99 4.294 2.831 5.604 1.00 0.00 O ATOM 1515 CB ILE A 99 2.537 5.636 6.060 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.402 6.229 6.895 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.989 4.978 4.803 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.700 7.390 6.225 1.00 0.00 C ATOM 0 H ILE A 99 4.321 6.166 7.908 1.00 0.00 H new ATOM 0 HA ILE A 99 2.664 3.841 7.251 1.00 0.00 H new ATOM 0 HB ILE A 99 3.204 6.445 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.672 5.448 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.802 6.561 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.425 5.710 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.815 4.599 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.334 4.152 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.093 7.760 6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.417 8.189 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.270 7.059 5.280 1.00 0.00 H new ATOM 1530 N ILE A 100 5.455 4.755 5.719 1.00 0.00 N ATOM 1531 CA ILE A 100 6.550 4.272 4.886 1.00 0.00 C ATOM 1532 C ILE A 100 7.043 2.910 5.365 1.00 0.00 C ATOM 1533 O ILE A 100 7.445 2.066 4.564 1.00 0.00 O ATOM 1534 CB ILE A 100 7.731 5.259 4.880 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.292 6.610 4.309 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.893 4.691 4.077 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.150 7.767 4.768 1.00 0.00 C ATOM 0 H ILE A 100 5.566 5.714 6.047 1.00 0.00 H new ATOM 0 HA ILE A 100 6.160 4.180 3.872 1.00 0.00 H new ATOM 0 HB ILE A 100 8.064 5.410 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.316 6.560 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.258 6.798 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.720 5.401 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.218 3.751 4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.573 4.514 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.781 8.692 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.107 7.843 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.181 7.601 4.456 1.00 0.00 H new ATOM 1549 N THR A 101 7.009 2.701 6.677 1.00 0.00 N ATOM 1550 CA THR A 101 7.451 1.442 7.263 1.00 0.00 C ATOM 1551 C THR A 101 6.448 0.327 6.993 1.00 0.00 C ATOM 1552 O THR A 101 6.829 -0.818 6.746 1.00 0.00 O ATOM 1553 CB THR A 101 7.658 1.573 8.784 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.512 2.686 9.069 1.00 0.00 O ATOM 1555 CG2 THR A 101 8.265 0.302 9.359 1.00 0.00 C ATOM 0 H THR A 101 6.679 3.388 7.355 1.00 0.00 H new ATOM 0 HA THR A 101 8.403 1.192 6.794 1.00 0.00 H new ATOM 0 HB THR A 101 6.685 1.735 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.988 3.514 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.402 0.418 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.598 -0.539 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.230 0.115 8.889 1.00 0.00 H new ATOM 1563 N TYR A 102 5.165 0.668 7.039 1.00 0.00 N ATOM 1564 CA TYR A 102 4.106 -0.307 6.800 1.00 0.00 C ATOM 1565 C TYR A 102 4.004 -0.647 5.317 1.00 0.00 C ATOM 1566 O TYR A 102 4.093 -1.811 4.926 1.00 0.00 O ATOM 1567 CB TYR A 102 2.767 0.231 7.305 1.00 0.00 C ATOM 1568 CG TYR A 102 1.589 -0.649 6.951 1.00 0.00 C ATOM 1569 CD1 TYR A 102 1.387 -1.864 7.592 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.678 -0.264 5.973 1.00 0.00 C ATOM 1571 CE1 TYR A 102 0.313 -2.672 7.272 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.400 -1.065 5.647 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.578 -2.268 6.299 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.649 -3.068 5.976 1.00 0.00 O ATOM 0 H TYR A 102 4.833 1.611 7.239 1.00 0.00 H new ATOM 0 HA TYR A 102 4.354 -1.217 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.815 0.342 8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.605 1.226 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.082 -2.183 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.815 0.676 5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.172 -3.614 7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.099 -0.751 4.886 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.921 -3.585 6.763 1.00 0.00 H new ATOM 1584 N VAL A 103 3.816 0.379 4.492 1.00 0.00 N ATOM 1585 CA VAL A 103 3.703 0.192 3.050 1.00 0.00 C ATOM 1586 C VAL A 103 4.934 -0.512 2.490 1.00 0.00 C ATOM 1587 O VAL A 103 4.885 -1.107 1.414 1.00 0.00 O ATOM 1588 CB VAL A 103 3.516 1.536 2.322 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.747 2.413 2.496 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.220 1.306 0.848 1.00 0.00 C ATOM 0 H VAL A 103 3.739 1.349 4.798 1.00 0.00 H new ATOM 0 HA VAL A 103 2.824 -0.429 2.879 1.00 0.00 H new ATOM 0 HB VAL A 103 2.665 2.054 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.597 3.358 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.910 2.605 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.617 1.905 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.091 2.266 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.050 0.768 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.307 0.719 0.747 1.00 0.00 H new ATOM 1600 N ALA A 104 6.038 -0.437 3.227 1.00 0.00 N ATOM 1601 CA ALA A 104 7.282 -1.069 2.804 1.00 0.00 C ATOM 1602 C ALA A 104 7.138 -2.586 2.753 1.00 0.00 C ATOM 1603 O ALA A 104 7.807 -3.258 1.968 1.00 0.00 O ATOM 1604 CB ALA A 104 8.416 -0.675 3.739 1.00 0.00 C ATOM 0 H ALA A 104 6.096 0.055 4.119 1.00 0.00 H new ATOM 0 HA ALA A 104 7.516 -0.720 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.339 -1.153 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.542 0.408 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.180 -0.997 4.753 1.00 0.00 H new ATOM 1610 N THR A 105 6.260 -3.121 3.596 1.00 0.00 N ATOM 1611 CA THR A 105 6.028 -4.559 3.647 1.00 0.00 C ATOM 1612 C THR A 105 5.389 -5.060 2.358 1.00 0.00 C ATOM 1613 O THR A 105 5.748 -6.121 1.845 1.00 0.00 O ATOM 1614 CB THR A 105 5.128 -4.942 4.836 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.829 -4.362 4.673 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.737 -4.471 6.149 1.00 0.00 C ATOM 0 H THR A 105 5.698 -2.580 4.253 1.00 0.00 H new ATOM 0 HA THR A 105 7.003 -5.031 3.773 1.00 0.00 H new ATOM 0 HB THR A 105 5.041 -6.028 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.837 -3.442 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.084 -4.753 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.714 -4.935 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.850 -3.387 6.129 1.00 0.00 H new ATOM 1624 N TYR A 106 4.438 -4.291 1.838 1.00 0.00 N ATOM 1625 CA TYR A 106 3.745 -4.659 0.609 1.00 0.00 C ATOM 1626 C TYR A 106 4.737 -4.872 -0.532 1.00 0.00 C ATOM 1627 O TYR A 106 4.545 -5.743 -1.381 1.00 0.00 O ATOM 1628 CB TYR A 106 2.735 -3.577 0.224 1.00 0.00 C ATOM 1629 CG TYR A 106 1.433 -3.665 0.988 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.416 -4.026 2.330 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.221 -3.390 0.369 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.230 -4.109 3.032 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.970 -3.469 1.064 1.00 0.00 C ATOM 1634 CZ TYR A 106 -0.961 -3.829 2.395 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.146 -3.910 3.090 1.00 0.00 O ATOM 0 H TYR A 106 4.130 -3.410 2.248 1.00 0.00 H new ATOM 0 HA TYR A 106 3.215 -5.595 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.182 -2.597 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.526 -3.650 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.347 -4.245 2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.209 -3.109 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.235 -4.392 4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.904 -3.250 0.567 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.998 -3.642 4.021 1.00 0.00 H new ATOM 1645 N TYR A 107 5.797 -4.072 -0.543 1.00 0.00 N ATOM 1646 CA TYR A 107 6.818 -4.170 -1.579 1.00 0.00 C ATOM 1647 C TYR A 107 7.766 -5.333 -1.300 1.00 0.00 C ATOM 1648 O TYR A 107 8.111 -6.098 -2.201 1.00 0.00 O ATOM 1649 CB TYR A 107 7.608 -2.864 -1.671 1.00 0.00 C ATOM 1650 CG TYR A 107 8.928 -3.005 -2.396 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.970 -3.214 -3.770 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.132 -2.927 -1.709 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.173 -3.343 -4.436 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.340 -3.054 -2.366 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.356 -3.263 -3.730 1.00 0.00 C ATOM 1656 OH TYR A 107 12.556 -3.390 -4.390 1.00 0.00 O ATOM 0 H TYR A 107 5.972 -3.348 0.154 1.00 0.00 H new ATOM 0 HA TYR A 107 6.318 -4.352 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.001 -2.117 -2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.794 -2.490 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.046 -3.277 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.124 -2.764 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.188 -3.506 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.267 -2.990 -1.815 1.00 0.00 H new ATOM 0 HH TYR A 107 13.292 -3.308 -3.749 1.00 0.00 H new ATOM 1666 N HIS A 108 8.183 -5.460 -0.045 1.00 0.00 N ATOM 1667 CA HIS A 108 9.091 -6.529 0.355 1.00 0.00 C ATOM 1668 C HIS A 108 8.455 -7.896 0.123 1.00 0.00 C ATOM 1669 O HIS A 108 9.020 -8.745 -0.568 1.00 0.00 O ATOM 1670 CB HIS A 108 9.476 -6.376 1.827 1.00 0.00 C ATOM 1671 CG HIS A 108 10.215 -5.108 2.125 1.00 0.00 C ATOM 1672 ND1 HIS A 108 9.972 -4.133 3.033 1.00 0.00 N flip ATOM 1673 CD2 HIS A 108 11.352 -4.722 1.446 1.00 0.00 C flip ATOM 1674 CE1 HIS A 108 10.957 -3.188 2.889 1.00 0.00 C flip ATOM 1675 NE2 HIS A 108 11.777 -3.567 1.925 1.00 0.00 N flip ATOM 0 H HIS A 108 7.907 -4.836 0.713 1.00 0.00 H new ATOM 0 HA HIS A 108 9.990 -6.457 -0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.573 -6.412 2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 108 10.093 -7.224 2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.821 -5.277 0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.047 -2.282 3.470 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.599 -3.055 1.605 1.00 0.00 H new ATOM 1684 N TYR A 109 7.279 -8.103 0.704 1.00 0.00 N ATOM 1685 CA TYR A 109 6.568 -9.368 0.563 1.00 0.00 C ATOM 1686 C TYR A 109 6.447 -9.763 -0.906 1.00 0.00 C ATOM 1687 O TYR A 109 6.974 -10.792 -1.329 1.00 0.00 O ATOM 1688 CB TYR A 109 5.178 -9.268 1.192 1.00 0.00 C ATOM 1689 CG TYR A 109 4.235 -10.368 0.757 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.511 -11.699 1.046 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.070 -10.076 0.059 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.654 -12.708 0.649 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.207 -11.078 -0.340 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.503 -12.392 -0.043 1.00 0.00 C ATOM 1695 OH TYR A 109 1.646 -13.394 -0.438 1.00 0.00 O ATOM 0 H TYR A 109 6.797 -7.411 1.278 1.00 0.00 H new ATOM 0 HA TYR A 109 7.140 -10.138 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.277 -9.294 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.741 -8.303 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.410 -11.949 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 109 2.835 -9.048 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.884 -13.738 0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.305 -10.834 -0.882 1.00 0.00 H new ATOM 0 HH TYR A 109 0.883 -13.003 -0.913 1.00 0.00 H new ATOM 1705 N PHE A 110 5.748 -8.938 -1.678 1.00 0.00 N ATOM 1706 CA PHE A 110 5.556 -9.201 -3.100 1.00 0.00 C ATOM 1707 C PHE A 110 6.898 -9.333 -3.814 1.00 0.00 C ATOM 1708 O PHE A 110 7.067 -10.184 -4.687 1.00 0.00 O ATOM 1709 CB PHE A 110 4.732 -8.082 -3.740 1.00 0.00 C ATOM 1710 CG PHE A 110 3.252 -8.337 -3.714 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.695 -9.337 -4.493 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.419 -7.577 -2.909 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.333 -9.573 -4.472 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.056 -7.808 -2.883 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.513 -8.809 -3.665 1.00 0.00 C ATOM 0 H PHE A 110 5.305 -8.082 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 110 5.017 -10.143 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.940 -7.146 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.052 -7.952 -4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.332 -9.939 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.839 -6.795 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.910 -10.354 -5.086 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.417 -7.207 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.551 -8.994 -3.645 1.00 0.00 H new ATOM 1725 N SER A 111 7.848 -8.483 -3.438 1.00 0.00 N ATOM 1726 CA SER A 111 9.173 -8.501 -4.045 1.00 0.00 C ATOM 1727 C SER A 111 9.742 -9.916 -4.069 1.00 0.00 C ATOM 1728 O SER A 111 10.185 -10.404 -5.109 1.00 0.00 O ATOM 1729 CB SER A 111 10.120 -7.571 -3.282 1.00 0.00 C ATOM 1730 OG SER A 111 10.088 -6.260 -3.817 1.00 0.00 O ATOM 0 H SER A 111 7.724 -7.773 -2.716 1.00 0.00 H new ATOM 0 HA SER A 111 9.079 -8.149 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.839 -7.544 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.136 -7.962 -3.331 1.00 0.00 H new ATOM 0 HG SER A 111 9.462 -5.711 -3.300 1.00 0.00 H new ATOM 1736 N LYS A 112 9.726 -10.573 -2.913 1.00 0.00 N ATOM 1737 CA LYS A 112 10.237 -11.934 -2.798 1.00 0.00 C ATOM 1738 C LYS A 112 9.964 -12.727 -4.072 1.00 0.00 C ATOM 1739 O LYS A 112 10.866 -13.350 -4.632 1.00 0.00 O ATOM 1740 CB LYS A 112 9.602 -12.640 -1.598 1.00 0.00 C ATOM 1741 CG LYS A 112 9.911 -11.976 -0.268 1.00 0.00 C ATOM 1742 CD LYS A 112 9.446 -12.828 0.901 1.00 0.00 C ATOM 1743 CE LYS A 112 9.611 -12.095 2.224 1.00 0.00 C ATOM 1744 NZ LYS A 112 11.037 -12.029 2.648 1.00 0.00 N ATOM 0 H LYS A 112 9.364 -10.184 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 112 11.315 -11.879 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.521 -12.672 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.950 -13.672 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.984 -11.801 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.425 -11.001 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.399 -13.099 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.015 -13.757 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.213 -11.085 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.026 -12.599 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.107 -11.522 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.410 -12.993 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.591 -11.526 1.926 1.00 0.00 H new