USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 710 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 50 ASN : amide:sc= -2.08! C(o=-3.2!,f=-5.2!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.101 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -1.21 K(o=-3.2,f=-2.3) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.625 K(o=1.8,f=-9.2!) USER MOD Set 2.2: A 88 TYR OH : rot 82:sc= 1.22 USER MOD Set 3.1: A 84 SER OG : rot 81:sc= 0.719 USER MOD Set 3.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 76 ASN : amide:sc= 1.97 K(o=2.8,f=2.1) USER MOD Set 4.2: A 82 THR OG1 : rot -9:sc= 0.864 USER MOD Set 5.1: A 30 SER OG : rot 180:sc= 0.00327 USER MOD Set 5.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 11 TYR OH : rot 114:sc= 1.97 USER MOD Set 6.2: A 16 CYS SG : rot 180:sc= 0.074 USER MOD Set 6.3: A 17 THR OG1 : rot 162:sc= 1.77 USER MOD Set 6.4: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 15 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.038) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -84:sc= -0.73 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.941 K(o=0.94,f=-0.033) USER MOD Single : A 37 ASN : amide:sc= -0.816 K(o=-0.82,f=-2) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.745 K(o=0.75,f=-3.8!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.198) USER MOD Single : A 60 GLN : amide:sc= 0.494 K(o=0.49,f=-5.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -3:sc= 0.817 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= -0.0697 (180deg=-0.0697) USER MOD Single : A 87 ASN : amide:sc= 0.748 K(o=0.75,f=-6.4!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.032) USER MOD Single : A 108 TYR OH : rot 62:sc= 1.17 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -14.914 1.642 3.210 1.00 0.00 N ATOM 99 CA ASN A 9 -13.960 2.729 3.022 1.00 0.00 C ATOM 100 C ASN A 9 -14.431 3.652 1.909 1.00 0.00 C ATOM 101 O ASN A 9 -15.542 3.508 1.398 1.00 0.00 O ATOM 102 CB ASN A 9 -12.579 2.178 2.652 1.00 0.00 C ATOM 103 CG ASN A 9 -11.967 1.302 3.728 1.00 0.00 C ATOM 104 OD1 ASN A 9 -12.200 1.497 4.920 1.00 0.00 O ATOM 105 ND2 ASN A 9 -11.172 0.328 3.309 1.00 0.00 N ATOM 0 HA ASN A 9 -13.891 3.282 3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.662 1.602 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.907 3.012 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.727 -0.294 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.005 0.200 2.311 1.00 0.00 H new ATOM 112 N LEU A 10 -13.567 4.581 1.515 1.00 0.00 N ATOM 113 CA LEU A 10 -13.836 5.456 0.377 1.00 0.00 C ATOM 114 C LEU A 10 -13.580 4.714 -0.932 1.00 0.00 C ATOM 115 O LEU A 10 -13.522 5.314 -2.006 1.00 0.00 O ATOM 116 CB LEU A 10 -12.935 6.690 0.437 1.00 0.00 C ATOM 117 CG LEU A 10 -13.108 7.583 1.672 1.00 0.00 C ATOM 118 CD1 LEU A 10 -12.355 8.889 1.488 1.00 0.00 C ATOM 119 CD2 LEU A 10 -14.583 7.851 1.944 1.00 0.00 C ATOM 0 H LEU A 10 -12.669 4.749 1.969 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.880 5.765 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.897 6.361 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.117 7.293 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.694 7.060 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.487 9.513 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.295 8.681 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.742 9.412 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.681 8.486 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.026 8.352 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.098 6.907 2.119 1.00 0.00 H new ATOM 131 N TYR A 11 -13.439 3.404 -0.830 1.00 0.00 N ATOM 132 CA TYR A 11 -13.049 2.582 -1.955 1.00 0.00 C ATOM 133 C TYR A 11 -14.086 1.509 -2.242 1.00 0.00 C ATOM 134 O TYR A 11 -15.192 1.532 -1.702 1.00 0.00 O ATOM 135 CB TYR A 11 -11.691 1.939 -1.675 1.00 0.00 C ATOM 136 CG TYR A 11 -10.569 2.531 -2.480 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.398 2.188 -3.813 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.677 3.421 -1.904 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.364 2.718 -4.554 1.00 0.00 C ATOM 140 CE2 TYR A 11 -8.643 3.961 -2.636 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.489 3.608 -3.959 1.00 0.00 C ATOM 142 OH TYR A 11 -7.438 4.127 -4.678 1.00 0.00 O ATOM 0 H TYR A 11 -13.592 2.884 0.034 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.977 3.220 -2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.461 2.043 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.754 0.871 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.085 1.496 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.794 3.695 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.238 2.441 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.957 4.657 -2.176 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.567 5.091 -4.797 1.00 0.00 H new ATOM 152 N THR A 12 -13.704 0.575 -3.093 1.00 0.00 N ATOM 153 CA THR A 12 -14.574 -0.506 -3.515 1.00 0.00 C ATOM 154 C THR A 12 -14.474 -1.674 -2.529 1.00 0.00 C ATOM 155 O THR A 12 -14.200 -1.471 -1.347 1.00 0.00 O ATOM 156 CB THR A 12 -14.157 -0.961 -4.927 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.499 0.123 -5.595 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.362 -1.391 -5.746 1.00 0.00 C ATOM 0 H THR A 12 -12.775 0.545 -3.513 1.00 0.00 H new ATOM 0 HA THR A 12 -15.608 -0.161 -3.535 1.00 0.00 H new ATOM 0 HB THR A 12 -13.486 -1.814 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.230 -0.161 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.035 -1.706 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.863 -2.221 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.054 -0.554 -5.842 1.00 0.00 H new ATOM 166 N ALA A 13 -14.698 -2.888 -3.002 1.00 0.00 N ATOM 167 CA ALA A 13 -14.555 -4.059 -2.172 1.00 0.00 C ATOM 168 C ALA A 13 -13.485 -4.972 -2.743 1.00 0.00 C ATOM 169 O ALA A 13 -13.737 -5.740 -3.667 1.00 0.00 O ATOM 170 CB ALA A 13 -15.876 -4.801 -2.035 1.00 0.00 C ATOM 0 H ALA A 13 -14.981 -3.083 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.251 -3.738 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.737 -5.679 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.618 -4.143 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.222 -5.114 -3.020 1.00 0.00 H new ATOM 176 N GLY A 14 -12.281 -4.865 -2.210 1.00 0.00 N ATOM 177 CA GLY A 14 -11.187 -5.670 -2.707 1.00 0.00 C ATOM 178 C GLY A 14 -10.367 -4.939 -3.746 1.00 0.00 C ATOM 179 O GLY A 14 -10.228 -5.394 -4.877 1.00 0.00 O ATOM 0 H GLY A 14 -12.041 -4.237 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.544 -5.959 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.582 -6.590 -3.139 1.00 0.00 H new ATOM 183 N GLN A 15 -9.847 -3.784 -3.370 1.00 0.00 N ATOM 184 CA GLN A 15 -8.926 -3.046 -4.227 1.00 0.00 C ATOM 185 C GLN A 15 -7.521 -3.095 -3.637 1.00 0.00 C ATOM 186 O GLN A 15 -7.362 -3.309 -2.431 1.00 0.00 O ATOM 187 CB GLN A 15 -9.377 -1.589 -4.382 1.00 0.00 C ATOM 188 CG GLN A 15 -10.679 -1.422 -5.147 1.00 0.00 C ATOM 189 CD GLN A 15 -10.512 -1.682 -6.626 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.279 -0.763 -7.408 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.588 -2.940 -7.013 1.00 0.00 N ATOM 0 H GLN A 15 -10.045 -3.334 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.921 -3.511 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.490 -1.147 -3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.593 -1.029 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.426 -2.105 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.058 -0.411 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.784 -3.673 -6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.451 -3.181 -7.995 1.00 0.00 H new ATOM 200 N CYS A 16 -6.515 -2.901 -4.480 1.00 0.00 N ATOM 201 CA CYS A 16 -5.127 -2.874 -4.026 1.00 0.00 C ATOM 202 C CYS A 16 -4.932 -1.762 -3.005 1.00 0.00 C ATOM 203 O CYS A 16 -4.364 -1.970 -1.936 1.00 0.00 O ATOM 204 CB CYS A 16 -4.189 -2.685 -5.219 1.00 0.00 C ATOM 205 SG CYS A 16 -4.742 -1.429 -6.398 1.00 0.00 S ATOM 0 H CYS A 16 -6.633 -2.760 -5.483 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.889 -3.824 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.200 -2.413 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.084 -3.637 -5.740 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.884 -1.339 -7.371 1.00 0.00 H new ATOM 211 N THR A 17 -5.460 -0.595 -3.328 1.00 0.00 N ATOM 212 CA THR A 17 -5.353 0.567 -2.465 1.00 0.00 C ATOM 213 C THR A 17 -6.401 0.512 -1.348 1.00 0.00 C ATOM 214 O THR A 17 -6.261 1.158 -0.311 1.00 0.00 O ATOM 215 CB THR A 17 -5.519 1.840 -3.311 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.501 1.593 -4.321 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.212 2.237 -3.974 1.00 0.00 C ATOM 0 H THR A 17 -5.973 -0.427 -4.193 1.00 0.00 H new ATOM 0 HA THR A 17 -4.371 0.577 -1.993 1.00 0.00 H new ATOM 0 HB THR A 17 -5.830 2.655 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.827 2.446 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.363 3.141 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.459 2.425 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.874 1.430 -4.625 1.00 0.00 H new ATOM 225 N TRP A 18 -7.440 -0.291 -1.562 1.00 0.00 N ATOM 226 CA TRP A 18 -8.491 -0.488 -0.568 1.00 0.00 C ATOM 227 C TRP A 18 -7.962 -1.262 0.633 1.00 0.00 C ATOM 228 O TRP A 18 -8.157 -0.844 1.774 1.00 0.00 O ATOM 229 CB TRP A 18 -9.663 -1.239 -1.188 1.00 0.00 C ATOM 230 CG TRP A 18 -10.741 -1.599 -0.215 1.00 0.00 C ATOM 231 CD1 TRP A 18 -11.752 -0.797 0.222 1.00 0.00 C ATOM 232 CD2 TRP A 18 -10.919 -2.865 0.438 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.545 -1.485 1.104 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.057 -2.754 1.253 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.229 -4.082 0.412 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.521 -3.808 2.036 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.692 -5.127 1.189 1.00 0.00 C ATOM 238 CH2 TRP A 18 -11.828 -4.983 1.991 1.00 0.00 C ATOM 0 H TRP A 18 -7.577 -0.820 -2.423 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.828 0.492 -0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.094 -0.628 -1.981 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.290 -2.151 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.906 0.228 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.369 -1.110 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.350 -4.203 -0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.398 -3.700 2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.167 -6.071 1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.164 -5.819 2.587 1.00 0.00 H new ATOM 249 N TYR A 19 -7.294 -2.390 0.372 1.00 0.00 N ATOM 250 CA TYR A 19 -6.730 -3.207 1.448 1.00 0.00 C ATOM 251 C TYR A 19 -5.774 -2.370 2.283 1.00 0.00 C ATOM 252 O TYR A 19 -5.771 -2.441 3.511 1.00 0.00 O ATOM 253 CB TYR A 19 -6.008 -4.434 0.878 1.00 0.00 C ATOM 254 CG TYR A 19 -5.252 -5.249 1.913 1.00 0.00 C ATOM 255 CD1 TYR A 19 -5.879 -6.252 2.652 1.00 0.00 C ATOM 256 CD2 TYR A 19 -3.905 -5.005 2.160 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.184 -6.978 3.603 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.207 -5.729 3.106 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.847 -6.713 3.825 1.00 0.00 C ATOM 260 OH TYR A 19 -3.150 -7.424 4.778 1.00 0.00 O ATOM 0 H TYR A 19 -7.132 -2.755 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.543 -3.558 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.740 -5.077 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.309 -4.105 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.924 -6.465 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.395 -4.234 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.685 -7.749 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.161 -5.524 3.281 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.221 -7.112 4.805 1.00 0.00 H new ATOM 270 N VAL A 20 -4.975 -1.570 1.595 1.00 0.00 N ATOM 271 CA VAL A 20 -4.070 -0.643 2.245 1.00 0.00 C ATOM 272 C VAL A 20 -4.829 0.288 3.184 1.00 0.00 C ATOM 273 O VAL A 20 -4.535 0.359 4.379 1.00 0.00 O ATOM 274 CB VAL A 20 -3.318 0.199 1.196 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.510 1.296 1.864 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.419 -0.689 0.345 1.00 0.00 C ATOM 0 H VAL A 20 -4.937 -1.547 0.576 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.354 -1.227 2.824 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.054 0.670 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.988 1.877 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.178 1.949 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.783 0.850 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.895 -0.078 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.692 -1.190 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.025 -1.435 -0.168 1.00 0.00 H new ATOM 286 N TYR A 21 -5.823 0.973 2.634 1.00 0.00 N ATOM 287 CA TYR A 21 -6.587 1.967 3.375 1.00 0.00 C ATOM 288 C TYR A 21 -7.300 1.339 4.573 1.00 0.00 C ATOM 289 O TYR A 21 -7.399 1.949 5.636 1.00 0.00 O ATOM 290 CB TYR A 21 -7.598 2.642 2.445 1.00 0.00 C ATOM 291 CG TYR A 21 -8.189 3.911 3.000 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.398 5.027 3.198 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.536 3.996 3.312 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.928 6.199 3.691 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.079 5.164 3.809 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.269 6.266 3.995 1.00 0.00 C ATOM 297 OH TYR A 21 -9.801 7.439 4.477 1.00 0.00 O ATOM 0 H TYR A 21 -6.121 0.856 1.666 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.895 2.717 3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.110 2.865 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.405 1.941 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.345 4.979 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.171 3.135 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.295 7.061 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.130 5.215 4.051 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.659 7.489 5.445 1.00 0.00 H new ATOM 307 N ASP A 22 -7.776 0.113 4.402 1.00 0.00 N ATOM 308 CA ASP A 22 -8.499 -0.582 5.463 1.00 0.00 C ATOM 309 C ASP A 22 -7.558 -0.968 6.601 1.00 0.00 C ATOM 310 O ASP A 22 -7.885 -0.799 7.776 1.00 0.00 O ATOM 311 CB ASP A 22 -9.189 -1.834 4.913 1.00 0.00 C ATOM 312 CG ASP A 22 -10.103 -2.485 5.932 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.292 -2.102 5.993 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.639 -3.381 6.673 1.00 0.00 O ATOM 0 H ASP A 22 -7.675 -0.422 3.540 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.256 0.098 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.767 -1.568 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.433 -2.552 4.596 1.00 0.00 H new ATOM 319 N LYS A 23 -6.375 -1.455 6.241 1.00 0.00 N ATOM 320 CA LYS A 23 -5.412 -1.942 7.225 1.00 0.00 C ATOM 321 C LYS A 23 -4.744 -0.803 7.986 1.00 0.00 C ATOM 322 O LYS A 23 -4.284 -0.994 9.110 1.00 0.00 O ATOM 323 CB LYS A 23 -4.349 -2.812 6.551 1.00 0.00 C ATOM 324 CG LYS A 23 -4.887 -4.137 6.036 1.00 0.00 C ATOM 325 CD LYS A 23 -5.473 -4.981 7.158 1.00 0.00 C ATOM 326 CE LYS A 23 -4.410 -5.419 8.152 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.997 -6.172 9.292 1.00 0.00 N ATOM 0 H LYS A 23 -6.059 -1.523 5.274 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.967 -2.542 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.912 -2.259 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.546 -3.007 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.653 -3.951 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.085 -4.689 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.243 -4.410 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.959 -5.860 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.673 -6.043 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.881 -4.543 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.241 -6.454 9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.681 -5.569 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.480 -7.021 8.935 1.00 0.00 H new ATOM 341 N VAL A 24 -4.688 0.378 7.384 1.00 0.00 N ATOM 342 CA VAL A 24 -4.099 1.535 8.051 1.00 0.00 C ATOM 343 C VAL A 24 -5.147 2.276 8.877 1.00 0.00 C ATOM 344 O VAL A 24 -4.915 3.394 9.340 1.00 0.00 O ATOM 345 CB VAL A 24 -3.444 2.514 7.055 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.315 1.832 6.298 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.471 3.079 6.086 1.00 0.00 C ATOM 0 H VAL A 24 -5.039 0.561 6.444 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.319 1.151 8.709 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.027 3.344 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.866 2.539 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.559 1.489 7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.710 0.979 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.981 3.766 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.928 2.264 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.242 3.612 6.643 1.00 0.00 H new ATOM 357 N GLY A 25 -6.310 1.653 9.036 1.00 0.00 N ATOM 358 CA GLY A 25 -7.352 2.211 9.880 1.00 0.00 C ATOM 359 C GLY A 25 -8.227 3.214 9.158 1.00 0.00 C ATOM 360 O GLY A 25 -9.251 3.648 9.686 1.00 0.00 O ATOM 0 H GLY A 25 -6.551 0.766 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.975 1.402 10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.893 2.693 10.743 1.00 0.00 H new ATOM 364 N GLY A 26 -7.834 3.574 7.944 1.00 0.00 N ATOM 365 CA GLY A 26 -8.569 4.569 7.190 1.00 0.00 C ATOM 366 C GLY A 26 -8.258 5.979 7.648 1.00 0.00 C ATOM 367 O GLY A 26 -9.017 6.909 7.377 1.00 0.00 O ATOM 0 H GLY A 26 -7.017 3.193 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.328 4.471 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.638 4.383 7.292 1.00 0.00 H new ATOM 371 N GLU A 27 -7.142 6.136 8.349 1.00 0.00 N ATOM 372 CA GLU A 27 -6.733 7.440 8.856 1.00 0.00 C ATOM 373 C GLU A 27 -5.796 8.129 7.866 1.00 0.00 C ATOM 374 O GLU A 27 -5.624 9.347 7.895 1.00 0.00 O ATOM 375 CB GLU A 27 -6.042 7.276 10.214 1.00 0.00 C ATOM 376 CG GLU A 27 -5.813 8.583 10.962 1.00 0.00 C ATOM 377 CD GLU A 27 -7.107 9.306 11.281 1.00 0.00 C ATOM 378 OE1 GLU A 27 -8.007 8.687 11.888 1.00 0.00 O ATOM 379 OE2 GLU A 27 -7.229 10.501 10.939 1.00 0.00 O ATOM 0 H GLU A 27 -6.503 5.375 8.580 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.619 8.062 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.644 6.615 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.081 6.784 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.278 8.378 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.176 9.233 10.363 1.00 0.00 H new ATOM 386 N ILE A 28 -5.199 7.341 6.983 1.00 0.00 N ATOM 387 CA ILE A 28 -4.256 7.865 6.006 1.00 0.00 C ATOM 388 C ILE A 28 -4.670 7.495 4.588 1.00 0.00 C ATOM 389 O ILE A 28 -4.972 6.338 4.303 1.00 0.00 O ATOM 390 CB ILE A 28 -2.790 7.391 6.293 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.044 6.987 4.998 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.773 6.252 7.307 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.107 5.503 4.664 1.00 0.00 C ATOM 0 H ILE A 28 -5.352 6.334 6.923 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.275 8.951 6.098 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.257 8.241 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.461 7.551 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.998 7.281 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.744 5.942 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.220 6.590 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.343 5.409 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.558 5.314 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.662 4.928 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.147 5.203 4.535 1.00 0.00 H new ATOM 405 N GLY A 29 -4.728 8.498 3.722 1.00 0.00 N ATOM 406 CA GLY A 29 -4.832 8.247 2.301 1.00 0.00 C ATOM 407 C GLY A 29 -6.250 8.221 1.775 1.00 0.00 C ATOM 408 O GLY A 29 -6.614 7.332 1.012 1.00 0.00 O ATOM 0 H GLY A 29 -4.705 9.484 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.273 9.015 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.356 7.292 2.077 1.00 0.00 H new ATOM 412 N SER A 30 -7.052 9.199 2.154 1.00 0.00 N ATOM 413 CA SER A 30 -8.417 9.273 1.661 1.00 0.00 C ATOM 414 C SER A 30 -8.442 9.958 0.300 1.00 0.00 C ATOM 415 O SER A 30 -9.405 9.843 -0.456 1.00 0.00 O ATOM 416 CB SER A 30 -9.298 10.032 2.652 1.00 0.00 C ATOM 417 OG SER A 30 -8.726 11.290 2.976 1.00 0.00 O ATOM 0 H SER A 30 -6.787 9.947 2.795 1.00 0.00 H new ATOM 0 HA SER A 30 -8.808 8.261 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.290 10.178 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.425 9.441 3.559 1.00 0.00 H new ATOM 0 HG SER A 30 -9.307 11.760 3.610 1.00 0.00 H new ATOM 423 N THR A 31 -7.363 10.665 -0.008 1.00 0.00 N ATOM 424 CA THR A 31 -7.288 11.440 -1.230 1.00 0.00 C ATOM 425 C THR A 31 -5.957 11.196 -1.957 1.00 0.00 C ATOM 426 O THR A 31 -5.394 12.103 -2.562 1.00 0.00 O ATOM 427 CB THR A 31 -7.448 12.943 -0.905 1.00 0.00 C ATOM 428 OG1 THR A 31 -8.415 13.104 0.143 1.00 0.00 O ATOM 429 CG2 THR A 31 -7.905 13.726 -2.127 1.00 0.00 C ATOM 0 H THR A 31 -6.528 10.715 0.576 1.00 0.00 H new ATOM 0 HA THR A 31 -8.096 11.124 -1.889 1.00 0.00 H new ATOM 0 HB THR A 31 -6.478 13.328 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.516 14.056 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.008 14.779 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.169 13.620 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.866 13.341 -2.468 1.00 0.00 H new ATOM 437 N TRP A 32 -5.456 9.963 -1.911 1.00 0.00 N ATOM 438 CA TRP A 32 -4.207 9.639 -2.600 1.00 0.00 C ATOM 439 C TRP A 32 -4.464 9.260 -4.058 1.00 0.00 C ATOM 440 O TRP A 32 -3.530 9.062 -4.835 1.00 0.00 O ATOM 441 CB TRP A 32 -3.438 8.519 -1.885 1.00 0.00 C ATOM 442 CG TRP A 32 -4.180 7.223 -1.796 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.032 6.708 -2.718 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.116 6.271 -0.737 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.523 5.514 -2.298 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.979 5.215 -1.075 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.420 6.218 0.468 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.164 4.112 -0.246 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.603 5.124 1.291 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.471 4.084 0.932 1.00 0.00 C ATOM 0 H TRP A 32 -5.886 9.184 -1.413 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.588 10.536 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.496 8.350 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.188 8.851 -0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.284 7.182 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.188 4.934 -2.809 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.751 7.016 0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.830 3.308 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.068 5.069 2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.595 3.244 1.599 1.00 0.00 H new ATOM 461 N GLY A 33 -5.733 9.142 -4.420 1.00 0.00 N ATOM 462 CA GLY A 33 -6.066 8.767 -5.771 1.00 0.00 C ATOM 463 C GLY A 33 -6.028 7.276 -5.968 1.00 0.00 C ATOM 464 O GLY A 33 -6.912 6.554 -5.513 1.00 0.00 O ATOM 0 H GLY A 33 -6.531 9.299 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.061 9.140 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.369 9.242 -6.461 1.00 0.00 H new ATOM 468 N ASN A 34 -5.002 6.830 -6.668 1.00 0.00 N ATOM 469 CA ASN A 34 -4.704 5.420 -6.806 1.00 0.00 C ATOM 470 C ASN A 34 -3.206 5.223 -6.688 1.00 0.00 C ATOM 471 O ASN A 34 -2.465 6.191 -6.521 1.00 0.00 O ATOM 472 CB ASN A 34 -5.210 4.860 -8.137 1.00 0.00 C ATOM 473 CG ASN A 34 -6.531 4.130 -7.996 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.559 2.936 -7.707 1.00 0.00 O ATOM 475 ND2 ASN A 34 -7.630 4.838 -8.203 1.00 0.00 N ATOM 0 H ASN A 34 -4.349 7.441 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.218 4.876 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.324 5.676 -8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.465 4.179 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.545 4.394 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.562 5.827 -8.441 1.00 0.00 H new ATOM 482 N ALA A 35 -2.764 3.980 -6.801 1.00 0.00 N ATOM 483 CA ALA A 35 -1.370 3.625 -6.559 1.00 0.00 C ATOM 484 C ALA A 35 -0.381 4.455 -7.388 1.00 0.00 C ATOM 485 O ALA A 35 0.688 4.796 -6.909 1.00 0.00 O ATOM 486 CB ALA A 35 -1.167 2.145 -6.818 1.00 0.00 C ATOM 0 H ALA A 35 -3.356 3.191 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.159 3.854 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.125 1.883 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.808 1.568 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.423 1.918 -7.853 1.00 0.00 H new ATOM 492 N ASN A 36 -0.742 4.787 -8.620 1.00 0.00 N ATOM 493 CA ASN A 36 0.157 5.525 -9.517 1.00 0.00 C ATOM 494 C ASN A 36 0.481 6.918 -8.978 1.00 0.00 C ATOM 495 O ASN A 36 1.613 7.390 -9.079 1.00 0.00 O ATOM 496 CB ASN A 36 -0.481 5.654 -10.901 1.00 0.00 C ATOM 497 CG ASN A 36 0.452 6.278 -11.927 1.00 0.00 C ATOM 498 OD1 ASN A 36 0.501 7.500 -12.082 1.00 0.00 O ATOM 499 ND2 ASN A 36 1.183 5.439 -12.647 1.00 0.00 N ATOM 0 H ASN A 36 -1.649 4.560 -9.027 1.00 0.00 H new ATOM 0 HA ASN A 36 1.088 4.963 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.786 4.667 -11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.385 6.259 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.816 5.798 -13.361 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.112 4.434 -12.487 1.00 0.00 H new ATOM 506 N ASN A 37 -0.512 7.557 -8.380 1.00 0.00 N ATOM 507 CA ASN A 37 -0.391 8.949 -7.959 1.00 0.00 C ATOM 508 C ASN A 37 -0.076 9.028 -6.467 1.00 0.00 C ATOM 509 O ASN A 37 -0.091 10.103 -5.874 1.00 0.00 O ATOM 510 CB ASN A 37 -1.702 9.688 -8.273 1.00 0.00 C ATOM 511 CG ASN A 37 -1.623 11.194 -8.084 1.00 0.00 C ATOM 512 OD1 ASN A 37 -0.573 11.815 -8.274 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.745 11.796 -7.720 1.00 0.00 N ATOM 0 H ASN A 37 -1.417 7.133 -8.173 1.00 0.00 H new ATOM 0 HA ASN A 37 0.427 9.422 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.989 9.476 -9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.492 9.293 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.761 12.807 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.593 11.248 -7.572 1.00 0.00 H new ATOM 520 N TRP A 38 0.254 7.884 -5.882 1.00 0.00 N ATOM 521 CA TRP A 38 0.421 7.763 -4.438 1.00 0.00 C ATOM 522 C TRP A 38 1.416 8.757 -3.860 1.00 0.00 C ATOM 523 O TRP A 38 1.047 9.599 -3.048 1.00 0.00 O ATOM 524 CB TRP A 38 0.861 6.357 -4.069 1.00 0.00 C ATOM 525 CG TRP A 38 -0.167 5.621 -3.299 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.469 5.419 -3.639 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.033 4.989 -2.045 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.098 4.703 -2.664 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.191 4.424 -1.663 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.141 4.851 -1.209 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.334 3.726 -0.463 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.996 4.161 -0.030 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.231 3.612 0.333 1.00 0.00 C ATOM 0 H TRP A 38 0.413 7.016 -6.393 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.555 7.985 -4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.094 5.803 -4.978 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.779 6.410 -3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.935 5.773 -4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.078 4.420 -2.673 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.094 5.278 -1.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.281 3.293 -0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.846 4.043 0.625 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.312 3.081 1.270 1.00 0.00 H new ATOM 544 N ALA A 39 2.672 8.660 -4.276 1.00 0.00 N ATOM 545 CA ALA A 39 3.734 9.460 -3.674 1.00 0.00 C ATOM 546 C ALA A 39 3.448 10.954 -3.810 1.00 0.00 C ATOM 547 O ALA A 39 3.814 11.747 -2.946 1.00 0.00 O ATOM 548 CB ALA A 39 5.080 9.114 -4.294 1.00 0.00 C ATOM 0 H ALA A 39 2.981 8.039 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 39 3.770 9.223 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.860 9.720 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.296 8.058 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.050 9.315 -5.365 1.00 0.00 H new ATOM 554 N ALA A 40 2.786 11.323 -4.896 1.00 0.00 N ATOM 555 CA ALA A 40 2.413 12.709 -5.135 1.00 0.00 C ATOM 556 C ALA A 40 1.205 13.113 -4.287 1.00 0.00 C ATOM 557 O ALA A 40 1.244 14.111 -3.565 1.00 0.00 O ATOM 558 CB ALA A 40 2.123 12.915 -6.611 1.00 0.00 C ATOM 0 H ALA A 40 2.495 10.677 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 40 3.248 13.346 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.844 13.954 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.013 12.675 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.304 12.264 -6.915 1.00 0.00 H new ATOM 564 N ALA A 41 0.142 12.322 -4.366 1.00 0.00 N ATOM 565 CA ALA A 41 -1.099 12.623 -3.662 1.00 0.00 C ATOM 566 C ALA A 41 -0.906 12.574 -2.153 1.00 0.00 C ATOM 567 O ALA A 41 -1.549 13.315 -1.409 1.00 0.00 O ATOM 568 CB ALA A 41 -2.192 11.657 -4.085 1.00 0.00 C ATOM 0 H ALA A 41 0.115 11.462 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.398 13.637 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.113 11.893 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.361 11.746 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.888 10.637 -3.849 1.00 0.00 H new ATOM 574 N ALA A 42 -0.023 11.692 -1.710 1.00 0.00 N ATOM 575 CA ALA A 42 0.319 11.578 -0.301 1.00 0.00 C ATOM 576 C ALA A 42 0.918 12.881 0.214 1.00 0.00 C ATOM 577 O ALA A 42 0.592 13.337 1.308 1.00 0.00 O ATOM 578 CB ALA A 42 1.298 10.440 -0.102 1.00 0.00 C ATOM 0 H ALA A 42 0.475 11.038 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.590 11.372 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.551 10.359 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.846 9.508 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.203 10.634 -0.678 1.00 0.00 H new ATOM 584 N GLN A 43 1.790 13.484 -0.584 1.00 0.00 N ATOM 585 CA GLN A 43 2.408 14.751 -0.218 1.00 0.00 C ATOM 586 C GLN A 43 1.366 15.863 -0.222 1.00 0.00 C ATOM 587 O GLN A 43 1.402 16.768 0.609 1.00 0.00 O ATOM 588 CB GLN A 43 3.553 15.093 -1.169 1.00 0.00 C ATOM 589 CG GLN A 43 4.654 14.046 -1.184 1.00 0.00 C ATOM 590 CD GLN A 43 5.844 14.449 -2.033 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.177 15.631 -2.147 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.482 13.469 -2.650 1.00 0.00 N ATOM 0 H GLN A 43 2.085 13.116 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 43 2.819 14.655 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.156 15.208 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.979 16.055 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.988 13.864 -0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.249 13.106 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.174 12.504 -2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.282 13.678 -3.247 1.00 0.00 H new ATOM 601 N GLY A 44 0.427 15.775 -1.156 1.00 0.00 N ATOM 602 CA GLY A 44 -0.666 16.726 -1.206 1.00 0.00 C ATOM 603 C GLY A 44 -1.605 16.577 -0.022 1.00 0.00 C ATOM 604 O GLY A 44 -2.311 17.517 0.345 1.00 0.00 O ATOM 0 H GLY A 44 0.404 15.059 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.264 17.739 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.225 16.587 -2.132 1.00 0.00 H new ATOM 608 N ALA A 45 -1.616 15.387 0.568 1.00 0.00 N ATOM 609 CA ALA A 45 -2.419 15.120 1.754 1.00 0.00 C ATOM 610 C ALA A 45 -1.631 15.450 3.017 1.00 0.00 C ATOM 611 O ALA A 45 -2.198 15.597 4.099 1.00 0.00 O ATOM 612 CB ALA A 45 -2.872 13.667 1.771 1.00 0.00 C ATOM 0 H ALA A 45 -1.074 14.587 0.241 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.303 15.757 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.471 13.483 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.471 13.462 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.999 13.014 1.779 1.00 0.00 H new ATOM 618 N GLY A 46 -0.316 15.558 2.869 1.00 0.00 N ATOM 619 CA GLY A 46 0.534 15.944 3.978 1.00 0.00 C ATOM 620 C GLY A 46 1.152 14.759 4.696 1.00 0.00 C ATOM 621 O GLY A 46 1.265 14.764 5.921 1.00 0.00 O ATOM 0 H GLY A 46 0.179 15.384 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.329 16.593 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.050 16.528 4.689 1.00 0.00 H new ATOM 625 N PHE A 47 1.544 13.734 3.947 1.00 0.00 N ATOM 626 CA PHE A 47 2.221 12.586 4.542 1.00 0.00 C ATOM 627 C PHE A 47 3.726 12.746 4.418 1.00 0.00 C ATOM 628 O PHE A 47 4.222 13.374 3.478 1.00 0.00 O ATOM 629 CB PHE A 47 1.823 11.266 3.873 1.00 0.00 C ATOM 630 CG PHE A 47 0.348 10.979 3.843 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.532 11.629 4.693 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.155 10.057 2.943 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.885 11.362 4.639 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.503 9.787 2.881 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.370 10.443 3.730 1.00 0.00 C ATOM 0 H PHE A 47 1.407 13.673 2.938 1.00 0.00 H new ATOM 0 HA PHE A 47 1.919 12.551 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.196 11.270 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.325 10.449 4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.156 12.350 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.521 9.540 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.564 11.871 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.880 9.065 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.429 10.237 3.684 1.00 0.00 H new ATOM 645 N THR A 48 4.445 12.167 5.357 1.00 0.00 N ATOM 646 CA THR A 48 5.891 12.148 5.304 1.00 0.00 C ATOM 647 C THR A 48 6.347 10.949 4.488 1.00 0.00 C ATOM 648 O THR A 48 6.454 9.836 5.010 1.00 0.00 O ATOM 649 CB THR A 48 6.506 12.067 6.716 1.00 0.00 C ATOM 650 OG1 THR A 48 5.897 13.043 7.572 1.00 0.00 O ATOM 651 CG2 THR A 48 8.009 12.302 6.671 1.00 0.00 C ATOM 0 H THR A 48 4.047 11.700 6.172 1.00 0.00 H new ATOM 0 HA THR A 48 6.227 13.075 4.839 1.00 0.00 H new ATOM 0 HB THR A 48 6.321 11.067 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.291 12.984 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.417 12.239 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.477 11.544 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.210 13.291 6.259 1.00 0.00 H new ATOM 659 N VAL A 49 6.571 11.156 3.201 1.00 0.00 N ATOM 660 CA VAL A 49 6.964 10.059 2.340 1.00 0.00 C ATOM 661 C VAL A 49 8.482 9.996 2.232 1.00 0.00 C ATOM 662 O VAL A 49 9.161 11.019 2.106 1.00 0.00 O ATOM 663 CB VAL A 49 6.312 10.141 0.926 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.114 11.077 0.929 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.304 10.542 -0.161 1.00 0.00 C ATOM 0 H VAL A 49 6.488 12.060 2.737 1.00 0.00 H new ATOM 0 HA VAL A 49 6.597 9.141 2.798 1.00 0.00 H new ATOM 0 HB VAL A 49 5.970 9.134 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.679 11.115 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.369 10.712 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.434 12.077 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.793 10.582 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.720 11.522 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.108 9.808 -0.208 1.00 0.00 H new ATOM 675 N ASN A 50 9.002 8.792 2.344 1.00 0.00 N ATOM 676 CA ASN A 50 10.401 8.527 2.137 1.00 0.00 C ATOM 677 C ASN A 50 10.497 7.119 1.585 1.00 0.00 C ATOM 678 O ASN A 50 9.595 6.690 0.861 1.00 0.00 O ATOM 679 CB ASN A 50 11.210 8.712 3.437 1.00 0.00 C ATOM 680 CG ASN A 50 10.827 7.756 4.550 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.423 6.690 4.698 1.00 0.00 O ATOM 682 ND2 ASN A 50 9.840 8.130 5.346 1.00 0.00 N ATOM 0 H ASN A 50 8.456 7.965 2.584 1.00 0.00 H new ATOM 0 HA ASN A 50 10.836 9.235 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.269 8.585 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.079 9.735 3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.549 7.527 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.370 9.022 5.191 1.00 0.00 H new ATOM 689 N HIS A 51 11.536 6.389 1.911 1.00 0.00 N ATOM 690 CA HIS A 51 11.681 5.053 1.369 1.00 0.00 C ATOM 691 C HIS A 51 12.457 4.134 2.306 1.00 0.00 C ATOM 692 O HIS A 51 13.661 3.919 2.151 1.00 0.00 O ATOM 693 CB HIS A 51 12.307 5.084 -0.040 1.00 0.00 C ATOM 694 CG HIS A 51 13.556 5.919 -0.173 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.762 5.411 -0.601 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.767 7.243 0.037 1.00 0.00 C ATOM 697 CE1 HIS A 51 15.657 6.380 -0.645 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.080 7.502 -0.262 1.00 0.00 N ATOM 0 H HIS A 51 12.284 6.687 2.538 1.00 0.00 H new ATOM 0 HA HIS A 51 10.678 4.635 1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.540 4.062 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.562 5.459 -0.742 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.937 4.436 -0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.035 7.961 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.689 6.272 -0.945 1.00 0.00 H new ATOM 707 N THR A 52 11.751 3.641 3.309 1.00 0.00 N ATOM 708 CA THR A 52 12.259 2.628 4.222 1.00 0.00 C ATOM 709 C THR A 52 11.088 1.810 4.781 1.00 0.00 C ATOM 710 O THR A 52 10.441 2.218 5.748 1.00 0.00 O ATOM 711 CB THR A 52 13.047 3.267 5.386 1.00 0.00 C ATOM 712 OG1 THR A 52 14.035 4.170 4.868 1.00 0.00 O ATOM 713 CG2 THR A 52 13.731 2.200 6.233 1.00 0.00 C ATOM 0 H THR A 52 10.797 3.936 3.516 1.00 0.00 H new ATOM 0 HA THR A 52 12.937 1.978 3.669 1.00 0.00 H new ATOM 0 HB THR A 52 12.342 3.812 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.531 4.574 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.279 2.677 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.980 1.528 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.424 1.632 5.612 1.00 0.00 H new ATOM 721 N PRO A 53 10.768 0.666 4.143 1.00 0.00 N ATOM 722 CA PRO A 53 9.624 -0.181 4.525 1.00 0.00 C ATOM 723 C PRO A 53 9.663 -0.647 5.983 1.00 0.00 C ATOM 724 O PRO A 53 10.732 -0.771 6.582 1.00 0.00 O ATOM 725 CB PRO A 53 9.734 -1.388 3.584 1.00 0.00 C ATOM 726 CG PRO A 53 11.130 -1.348 3.064 1.00 0.00 C ATOM 727 CD PRO A 53 11.487 0.103 2.989 1.00 0.00 C ATOM 0 HA PRO A 53 8.689 0.372 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.537 -2.320 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.009 -1.323 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.810 -1.886 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.197 -1.820 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.563 0.261 3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.164 0.553 2.050 1.00 0.00 H new ATOM 735 N SER A 54 8.478 -0.938 6.522 1.00 0.00 N ATOM 736 CA SER A 54 8.310 -1.313 7.920 1.00 0.00 C ATOM 737 C SER A 54 6.823 -1.519 8.192 1.00 0.00 C ATOM 738 O SER A 54 5.991 -1.115 7.381 1.00 0.00 O ATOM 739 CB SER A 54 8.872 -0.226 8.845 1.00 0.00 C ATOM 740 OG SER A 54 8.774 -0.602 10.209 1.00 0.00 O ATOM 0 H SER A 54 7.605 -0.919 5.995 1.00 0.00 H new ATOM 0 HA SER A 54 8.857 -2.235 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.915 -0.036 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.330 0.706 8.684 1.00 0.00 H new ATOM 0 HG SER A 54 9.142 0.111 10.772 1.00 0.00 H new ATOM 746 N LYS A 55 6.486 -2.155 9.308 1.00 0.00 N ATOM 747 CA LYS A 55 5.089 -2.381 9.653 1.00 0.00 C ATOM 748 C LYS A 55 4.354 -1.053 9.800 1.00 0.00 C ATOM 749 O LYS A 55 4.846 -0.130 10.452 1.00 0.00 O ATOM 750 CB LYS A 55 4.968 -3.179 10.952 1.00 0.00 C ATOM 751 CG LYS A 55 3.534 -3.543 11.297 1.00 0.00 C ATOM 752 CD LYS A 55 3.437 -4.275 12.623 1.00 0.00 C ATOM 753 CE LYS A 55 2.011 -4.722 12.900 1.00 0.00 C ATOM 754 NZ LYS A 55 1.060 -3.579 12.910 1.00 0.00 N ATOM 0 H LYS A 55 7.156 -2.521 9.985 1.00 0.00 H new ATOM 0 HA LYS A 55 4.636 -2.955 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.558 -4.092 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.396 -2.598 11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.930 -2.637 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.118 -4.168 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.097 -5.142 12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.780 -3.624 13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.703 -5.443 12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.972 -5.234 13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.147 -3.891 13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.444 -2.813 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.923 -3.233 11.939 1.00 0.00 H new ATOM 768 N GLY A 56 3.184 -0.961 9.182 1.00 0.00 N ATOM 769 CA GLY A 56 2.415 0.265 9.234 1.00 0.00 C ATOM 770 C GLY A 56 2.736 1.181 8.076 1.00 0.00 C ATOM 771 O GLY A 56 2.346 2.349 8.062 1.00 0.00 O ATOM 0 H GLY A 56 2.754 -1.714 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.351 0.027 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.618 0.781 10.172 1.00 0.00 H new ATOM 775 N ALA A 57 3.465 0.650 7.109 1.00 0.00 N ATOM 776 CA ALA A 57 3.812 1.390 5.911 1.00 0.00 C ATOM 777 C ALA A 57 3.191 0.726 4.695 1.00 0.00 C ATOM 778 O ALA A 57 2.534 -0.306 4.817 1.00 0.00 O ATOM 779 CB ALA A 57 5.319 1.461 5.760 1.00 0.00 C ATOM 0 H ALA A 57 3.831 -0.302 7.133 1.00 0.00 H new ATOM 0 HA ALA A 57 3.423 2.405 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.568 2.019 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.748 1.963 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.725 0.452 5.687 1.00 0.00 H new ATOM 785 N ILE A 58 3.398 1.310 3.522 1.00 0.00 N ATOM 786 CA ILE A 58 2.879 0.741 2.288 1.00 0.00 C ATOM 787 C ILE A 58 3.918 0.864 1.182 1.00 0.00 C ATOM 788 O ILE A 58 4.434 1.946 0.927 1.00 0.00 O ATOM 789 CB ILE A 58 1.572 1.416 1.820 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.542 1.508 2.954 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.992 0.650 0.642 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.676 2.750 3.814 1.00 0.00 C ATOM 0 H ILE A 58 3.922 2.177 3.400 1.00 0.00 H new ATOM 0 HA ILE A 58 2.657 -0.306 2.497 1.00 0.00 H new ATOM 0 HB ILE A 58 1.810 2.434 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.459 1.484 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.637 0.627 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.070 1.130 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.710 0.646 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.780 -0.376 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.088 2.739 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.663 2.768 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.549 3.637 3.194 1.00 0.00 H new ATOM 804 N LEU A 59 4.210 -0.246 0.533 1.00 0.00 N ATOM 805 CA LEU A 59 5.272 -0.310 -0.459 1.00 0.00 C ATOM 806 C LEU A 59 4.745 0.107 -1.837 1.00 0.00 C ATOM 807 O LEU A 59 3.778 -0.466 -2.331 1.00 0.00 O ATOM 808 CB LEU A 59 5.833 -1.744 -0.477 1.00 0.00 C ATOM 809 CG LEU A 59 7.196 -1.929 -1.147 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.074 -1.819 -2.658 1.00 0.00 C ATOM 811 CD2 LEU A 59 8.188 -0.916 -0.593 1.00 0.00 C ATOM 0 H LEU A 59 3.720 -1.129 0.676 1.00 0.00 H new ATOM 0 HA LEU A 59 6.072 0.384 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.907 -2.096 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.113 -2.387 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 59 7.568 -2.929 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.055 -1.954 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.395 -2.589 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.684 -0.836 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.156 -1.054 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.825 0.093 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.294 -1.061 0.482 1.00 0.00 H new ATOM 823 N GLN A 60 5.399 1.096 -2.447 1.00 0.00 N ATOM 824 CA GLN A 60 4.955 1.657 -3.726 1.00 0.00 C ATOM 825 C GLN A 60 5.924 1.368 -4.870 1.00 0.00 C ATOM 826 O GLN A 60 7.133 1.532 -4.740 1.00 0.00 O ATOM 827 CB GLN A 60 4.779 3.177 -3.594 1.00 0.00 C ATOM 828 CG GLN A 60 4.860 3.947 -4.917 1.00 0.00 C ATOM 829 CD GLN A 60 3.653 3.731 -5.822 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.036 2.668 -5.825 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.309 4.739 -6.607 1.00 0.00 N ATOM 0 H GLN A 60 6.244 1.528 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 60 4.007 1.176 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.813 3.379 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.543 3.561 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.958 5.011 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.762 3.645 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.841 5.609 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.512 4.646 -7.237 1.00 0.00 H new ATOM 840 N SER A 61 5.359 0.959 -5.995 1.00 0.00 N ATOM 841 CA SER A 61 6.082 0.868 -7.252 1.00 0.00 C ATOM 842 C SER A 61 5.232 1.522 -8.341 1.00 0.00 C ATOM 843 O SER A 61 4.010 1.407 -8.324 1.00 0.00 O ATOM 844 CB SER A 61 6.385 -0.590 -7.609 1.00 0.00 C ATOM 845 OG SER A 61 7.190 -0.676 -8.776 1.00 0.00 O ATOM 0 H SER A 61 4.380 0.679 -6.061 1.00 0.00 H new ATOM 0 HA SER A 61 7.038 1.384 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.895 -1.073 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.452 -1.130 -7.767 1.00 0.00 H new ATOM 0 HG SER A 61 7.370 -1.617 -8.981 1.00 0.00 H new ATOM 851 N SER A 62 5.865 2.207 -9.281 1.00 0.00 N ATOM 852 CA SER A 62 5.133 2.950 -10.303 1.00 0.00 C ATOM 853 C SER A 62 4.629 2.037 -11.423 1.00 0.00 C ATOM 854 O SER A 62 4.026 2.503 -12.388 1.00 0.00 O ATOM 855 CB SER A 62 6.037 4.035 -10.885 1.00 0.00 C ATOM 856 OG SER A 62 6.651 4.783 -9.850 1.00 0.00 O ATOM 0 H SER A 62 6.880 2.266 -9.360 1.00 0.00 H new ATOM 0 HA SER A 62 4.260 3.401 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.802 3.579 -11.514 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.453 4.698 -11.523 1.00 0.00 H new ATOM 0 HG SER A 62 7.227 5.472 -10.242 1.00 0.00 H new ATOM 862 N GLU A 63 4.866 0.738 -11.289 1.00 0.00 N ATOM 863 CA GLU A 63 4.464 -0.212 -12.316 1.00 0.00 C ATOM 864 C GLU A 63 3.291 -1.066 -11.854 1.00 0.00 C ATOM 865 O GLU A 63 3.233 -1.487 -10.698 1.00 0.00 O ATOM 866 CB GLU A 63 5.636 -1.109 -12.709 1.00 0.00 C ATOM 867 CG GLU A 63 6.806 -0.349 -13.303 1.00 0.00 C ATOM 868 CD GLU A 63 7.914 -1.266 -13.764 1.00 0.00 C ATOM 869 OE1 GLU A 63 7.872 -1.719 -14.927 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.827 -1.546 -12.960 1.00 0.00 O ATOM 0 H GLU A 63 5.332 0.321 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 63 4.147 0.362 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.977 -1.655 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.291 -1.850 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.458 0.248 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.199 0.346 -12.561 1.00 0.00 H new ATOM 877 N GLY A 64 2.367 -1.317 -12.768 1.00 0.00 N ATOM 878 CA GLY A 64 1.204 -2.124 -12.463 1.00 0.00 C ATOM 879 C GLY A 64 0.030 -1.756 -13.346 1.00 0.00 C ATOM 880 O GLY A 64 0.222 -1.428 -14.520 1.00 0.00 O ATOM 0 H GLY A 64 2.403 -0.972 -13.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.446 -3.178 -12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.930 -1.990 -11.416 1.00 0.00 H new ATOM 884 N PRO A 65 -1.200 -1.796 -12.814 1.00 0.00 N ATOM 885 CA PRO A 65 -2.381 -1.344 -13.538 1.00 0.00 C ATOM 886 C PRO A 65 -2.452 0.174 -13.504 1.00 0.00 C ATOM 887 O PRO A 65 -2.583 0.836 -14.531 1.00 0.00 O ATOM 888 CB PRO A 65 -3.556 -1.964 -12.766 1.00 0.00 C ATOM 889 CG PRO A 65 -2.962 -2.706 -11.606 1.00 0.00 C ATOM 890 CD PRO A 65 -1.534 -2.259 -11.468 1.00 0.00 C ATOM 0 HA PRO A 65 -2.380 -1.637 -14.588 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.244 -1.192 -12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.127 -2.637 -13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.519 -2.498 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.013 -3.782 -11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.430 -1.463 -10.731 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.885 -3.075 -11.150 1.00 0.00 H new ATOM 898 N PHE A 66 -2.363 0.702 -12.297 1.00 0.00 N ATOM 899 CA PHE A 66 -2.165 2.120 -12.073 1.00 0.00 C ATOM 900 C PHE A 66 -0.779 2.292 -11.483 1.00 0.00 C ATOM 901 O PHE A 66 0.098 2.931 -12.057 1.00 0.00 O ATOM 902 CB PHE A 66 -3.213 2.671 -11.096 1.00 0.00 C ATOM 903 CG PHE A 66 -4.633 2.302 -11.436 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.192 1.126 -10.954 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.409 3.134 -12.227 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.497 0.789 -11.258 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.716 2.801 -12.531 1.00 0.00 C ATOM 908 CZ PHE A 66 -7.260 1.627 -12.046 1.00 0.00 C ATOM 0 H PHE A 66 -2.427 0.154 -11.439 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.267 2.665 -13.011 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.985 2.307 -10.094 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.129 3.757 -11.067 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.601 0.468 -10.335 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.989 4.052 -12.610 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.920 -0.130 -10.879 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.312 3.458 -13.147 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.281 1.365 -12.283 1.00 0.00 H new ATOM 918 N GLY A 67 -0.596 1.665 -10.337 1.00 0.00 N ATOM 919 CA GLY A 67 0.685 1.624 -9.681 1.00 0.00 C ATOM 920 C GLY A 67 0.814 0.337 -8.906 1.00 0.00 C ATOM 921 O GLY A 67 0.219 -0.669 -9.288 1.00 0.00 O ATOM 0 H GLY A 67 -1.336 1.171 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.485 1.699 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.789 2.477 -9.010 1.00 0.00 H new ATOM 925 N HIS A 68 1.535 0.364 -7.803 1.00 0.00 N ATOM 926 CA HIS A 68 1.728 -0.833 -7.005 1.00 0.00 C ATOM 927 C HIS A 68 1.906 -0.475 -5.545 1.00 0.00 C ATOM 928 O HIS A 68 3.028 -0.237 -5.112 1.00 0.00 O ATOM 929 CB HIS A 68 2.975 -1.580 -7.479 1.00 0.00 C ATOM 930 CG HIS A 68 3.074 -2.988 -6.977 1.00 0.00 C ATOM 931 ND1 HIS A 68 3.039 -4.077 -7.808 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.205 -3.480 -5.723 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.144 -5.178 -7.091 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.243 -4.849 -5.816 1.00 0.00 N ATOM 0 H HIS A 68 1.996 1.198 -7.439 1.00 0.00 H new ATOM 0 HA HIS A 68 0.847 -1.464 -7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.985 -1.593 -8.569 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.859 -1.029 -7.159 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.268 -2.900 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.148 -6.185 -7.482 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.332 -5.499 -5.035 1.00 0.00 H new ATOM 943 N VAL A 69 0.828 -0.423 -4.779 1.00 0.00 N ATOM 944 CA VAL A 69 0.972 -0.191 -3.363 1.00 0.00 C ATOM 945 C VAL A 69 0.490 -1.386 -2.559 1.00 0.00 C ATOM 946 O VAL A 69 -0.697 -1.716 -2.528 1.00 0.00 O ATOM 947 CB VAL A 69 0.255 1.094 -2.918 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.907 2.288 -3.583 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.225 1.049 -3.250 1.00 0.00 C ATOM 0 H VAL A 69 -0.131 -0.536 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 69 2.036 -0.056 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 69 0.345 1.182 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.401 3.201 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.957 2.338 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.834 2.186 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.700 1.973 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.353 0.938 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.687 0.203 -2.741 1.00 0.00 H new ATOM 959 N ALA A 70 1.442 -2.050 -1.938 1.00 0.00 N ATOM 960 CA ALA A 70 1.153 -3.181 -1.090 1.00 0.00 C ATOM 961 C ALA A 70 1.392 -2.803 0.355 1.00 0.00 C ATOM 962 O ALA A 70 2.455 -2.287 0.703 1.00 0.00 O ATOM 963 CB ALA A 70 2.009 -4.371 -1.477 1.00 0.00 C ATOM 0 H ALA A 70 2.433 -1.820 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 70 0.108 -3.463 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.776 -5.214 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.805 -4.645 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.062 -4.111 -1.372 1.00 0.00 H new ATOM 969 N TYR A 71 0.411 -3.059 1.193 1.00 0.00 N ATOM 970 CA TYR A 71 0.497 -2.680 2.587 1.00 0.00 C ATOM 971 C TYR A 71 1.532 -3.546 3.294 1.00 0.00 C ATOM 972 O TYR A 71 1.496 -4.778 3.215 1.00 0.00 O ATOM 973 CB TYR A 71 -0.886 -2.783 3.236 1.00 0.00 C ATOM 974 CG TYR A 71 -0.862 -3.037 4.727 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.669 -2.003 5.636 1.00 0.00 C ATOM 976 CD2 TYR A 71 -1.043 -4.321 5.224 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.657 -2.245 6.998 1.00 0.00 C ATOM 978 CE2 TYR A 71 -1.031 -4.570 6.580 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.837 -3.531 7.463 1.00 0.00 C ATOM 980 OH TYR A 71 -0.835 -3.779 8.818 1.00 0.00 O ATOM 0 H TYR A 71 -0.456 -3.529 0.933 1.00 0.00 H new ATOM 0 HA TYR A 71 0.824 -1.644 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.432 -1.859 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.441 -3.586 2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.526 -0.996 5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.196 -5.139 4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.508 -1.432 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.173 -5.575 6.948 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.976 -4.736 8.976 1.00 0.00 H new ATOM 990 N VAL A 72 2.473 -2.888 3.953 1.00 0.00 N ATOM 991 CA VAL A 72 3.587 -3.571 4.581 1.00 0.00 C ATOM 992 C VAL A 72 3.166 -4.181 5.906 1.00 0.00 C ATOM 993 O VAL A 72 2.775 -3.470 6.834 1.00 0.00 O ATOM 994 CB VAL A 72 4.780 -2.624 4.825 1.00 0.00 C ATOM 995 CG1 VAL A 72 5.982 -3.408 5.322 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.124 -1.834 3.567 1.00 0.00 C ATOM 0 H VAL A 72 2.484 -1.874 4.066 1.00 0.00 H new ATOM 0 HA VAL A 72 3.900 -4.357 3.894 1.00 0.00 H new ATOM 0 HB VAL A 72 4.494 -1.906 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.816 -2.727 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.729 -3.909 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.265 -4.152 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.968 -1.176 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.387 -2.524 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.263 -1.237 3.265 1.00 0.00 H new ATOM 1006 N GLU A 73 3.259 -5.497 5.985 1.00 0.00 N ATOM 1007 CA GLU A 73 2.891 -6.213 7.189 1.00 0.00 C ATOM 1008 C GLU A 73 4.048 -6.186 8.176 1.00 0.00 C ATOM 1009 O GLU A 73 3.851 -5.945 9.364 1.00 0.00 O ATOM 1010 CB GLU A 73 2.518 -7.659 6.858 1.00 0.00 C ATOM 1011 CG GLU A 73 1.406 -7.780 5.831 1.00 0.00 C ATOM 1012 CD GLU A 73 1.009 -9.217 5.564 1.00 0.00 C ATOM 1013 OE1 GLU A 73 1.722 -9.908 4.805 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.029 -9.659 6.100 1.00 0.00 O ATOM 0 H GLU A 73 3.588 -6.092 5.224 1.00 0.00 H new ATOM 0 HA GLU A 73 2.025 -5.726 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.402 -8.178 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.212 -8.165 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.534 -7.225 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.727 -7.317 4.898 1.00 0.00 H new ATOM 1021 N SER A 74 5.259 -6.408 7.664 1.00 0.00 N ATOM 1022 CA SER A 74 6.462 -6.472 8.487 1.00 0.00 C ATOM 1023 C SER A 74 7.712 -6.489 7.610 1.00 0.00 C ATOM 1024 O SER A 74 7.736 -7.135 6.562 1.00 0.00 O ATOM 1025 CB SER A 74 6.462 -7.731 9.369 1.00 0.00 C ATOM 1026 OG SER A 74 5.432 -7.698 10.344 1.00 0.00 O ATOM 0 H SER A 74 5.431 -6.548 6.668 1.00 0.00 H new ATOM 0 HA SER A 74 6.469 -5.587 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.338 -8.613 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.428 -7.826 9.865 1.00 0.00 H new ATOM 0 HG SER A 74 4.952 -6.846 10.284 1.00 0.00 H new ATOM 1032 N VAL A 75 8.737 -5.765 8.025 1.00 0.00 N ATOM 1033 CA VAL A 75 10.048 -5.898 7.414 1.00 0.00 C ATOM 1034 C VAL A 75 10.858 -6.907 8.222 1.00 0.00 C ATOM 1035 O VAL A 75 11.009 -6.766 9.436 1.00 0.00 O ATOM 1036 CB VAL A 75 10.798 -4.546 7.310 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.928 -3.868 8.666 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.168 -4.745 6.675 1.00 0.00 C ATOM 0 H VAL A 75 8.687 -5.081 8.780 1.00 0.00 H new ATOM 0 HA VAL A 75 9.918 -6.249 6.390 1.00 0.00 H new ATOM 0 HB VAL A 75 10.207 -3.889 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.459 -2.923 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.935 -3.679 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.482 -4.516 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.681 -3.786 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.756 -5.430 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.048 -5.162 5.675 1.00 0.00 H new ATOM 1048 N ASN A 76 11.334 -7.949 7.562 1.00 0.00 N ATOM 1049 CA ASN A 76 11.987 -9.047 8.261 1.00 0.00 C ATOM 1050 C ASN A 76 13.429 -8.701 8.591 1.00 0.00 C ATOM 1051 O ASN A 76 14.019 -7.811 7.975 1.00 0.00 O ATOM 1052 CB ASN A 76 11.946 -10.329 7.427 1.00 0.00 C ATOM 1053 CG ASN A 76 10.530 -10.796 7.147 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.947 -11.543 7.929 1.00 0.00 O ATOM 1055 ND2 ASN A 76 9.972 -10.361 6.028 1.00 0.00 N ATOM 0 H ASN A 76 11.282 -8.060 6.549 1.00 0.00 H new ATOM 0 HA ASN A 76 11.442 -9.212 9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.463 -10.160 6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.488 -11.117 7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.022 -10.645 5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.492 -9.741 5.406 1.00 0.00 H new ATOM 1062 N SER A 77 13.993 -9.414 9.558 1.00 0.00 N ATOM 1063 CA SER A 77 15.395 -9.250 9.926 1.00 0.00 C ATOM 1064 C SER A 77 16.310 -9.584 8.746 1.00 0.00 C ATOM 1065 O SER A 77 17.464 -9.156 8.695 1.00 0.00 O ATOM 1066 CB SER A 77 15.723 -10.153 11.112 1.00 0.00 C ATOM 1067 OG SER A 77 14.765 -9.999 12.148 1.00 0.00 O ATOM 0 H SER A 77 13.497 -10.117 10.106 1.00 0.00 H new ATOM 0 HA SER A 77 15.562 -8.209 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.748 -11.193 10.786 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.716 -9.914 11.492 1.00 0.00 H new ATOM 0 HG SER A 77 14.995 -10.589 12.896 1.00 0.00 H new ATOM 1073 N ASP A 78 15.778 -10.348 7.796 1.00 0.00 N ATOM 1074 CA ASP A 78 16.491 -10.681 6.565 1.00 0.00 C ATOM 1075 C ASP A 78 16.712 -9.439 5.707 1.00 0.00 C ATOM 1076 O ASP A 78 17.507 -9.453 4.771 1.00 0.00 O ATOM 1077 CB ASP A 78 15.692 -11.700 5.745 1.00 0.00 C ATOM 1078 CG ASP A 78 15.648 -13.077 6.372 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.931 -13.258 7.378 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.314 -13.990 5.842 1.00 0.00 O ATOM 0 H ASP A 78 14.844 -10.753 7.857 1.00 0.00 H new ATOM 0 HA ASP A 78 17.455 -11.102 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.673 -11.334 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.129 -11.776 4.749 1.00 0.00 H new ATOM 1085 N GLY A 79 15.991 -8.374 6.020 1.00 0.00 N ATOM 1086 CA GLY A 79 16.018 -7.188 5.191 1.00 0.00 C ATOM 1087 C GLY A 79 14.912 -7.235 4.161 1.00 0.00 C ATOM 1088 O GLY A 79 14.508 -6.213 3.611 1.00 0.00 O ATOM 0 H GLY A 79 15.385 -8.310 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.906 -6.300 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.984 -7.108 4.692 1.00 0.00 H new ATOM 1092 N SER A 80 14.424 -8.443 3.915 1.00 0.00 N ATOM 1093 CA SER A 80 13.324 -8.655 2.999 1.00 0.00 C ATOM 1094 C SER A 80 12.012 -8.247 3.658 1.00 0.00 C ATOM 1095 O SER A 80 11.791 -8.496 4.845 1.00 0.00 O ATOM 1096 CB SER A 80 13.280 -10.118 2.567 1.00 0.00 C ATOM 1097 OG SER A 80 14.555 -10.542 2.105 1.00 0.00 O ATOM 0 H SER A 80 14.781 -9.296 4.345 1.00 0.00 H new ATOM 0 HA SER A 80 13.471 -8.038 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.965 -10.741 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.540 -10.248 1.778 1.00 0.00 H new ATOM 0 HG SER A 80 14.509 -11.483 1.834 1.00 0.00 H new ATOM 1103 N VAL A 81 11.148 -7.625 2.884 1.00 0.00 N ATOM 1104 CA VAL A 81 9.938 -7.028 3.417 1.00 0.00 C ATOM 1105 C VAL A 81 8.700 -7.822 3.028 1.00 0.00 C ATOM 1106 O VAL A 81 8.466 -8.093 1.850 1.00 0.00 O ATOM 1107 CB VAL A 81 9.790 -5.579 2.923 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.596 -4.906 3.573 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.061 -4.799 3.198 1.00 0.00 C ATOM 0 H VAL A 81 11.261 -7.518 1.876 1.00 0.00 H new ATOM 0 HA VAL A 81 10.025 -7.038 4.503 1.00 0.00 H new ATOM 0 HB VAL A 81 9.620 -5.597 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.512 -3.882 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.688 -5.456 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.729 -4.896 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.943 -3.775 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.259 -4.792 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.896 -5.269 2.678 1.00 0.00 H new ATOM 1119 N THR A 82 7.916 -8.183 4.026 1.00 0.00 N ATOM 1120 CA THR A 82 6.675 -8.901 3.815 1.00 0.00 C ATOM 1121 C THR A 82 5.519 -7.922 3.631 1.00 0.00 C ATOM 1122 O THR A 82 5.178 -7.165 4.545 1.00 0.00 O ATOM 1123 CB THR A 82 6.387 -9.841 5.001 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.449 -10.791 5.124 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.065 -10.574 4.820 1.00 0.00 C ATOM 0 H THR A 82 8.122 -7.986 5.005 1.00 0.00 H new ATOM 0 HA THR A 82 6.775 -9.501 2.910 1.00 0.00 H new ATOM 0 HB THR A 82 6.318 -9.237 5.906 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.041 -10.723 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.892 -11.229 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.254 -9.849 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.101 -11.169 3.908 1.00 0.00 H new ATOM 1133 N ILE A 83 4.939 -7.925 2.439 1.00 0.00 N ATOM 1134 CA ILE A 83 3.844 -7.022 2.112 1.00 0.00 C ATOM 1135 C ILE A 83 2.684 -7.789 1.489 1.00 0.00 C ATOM 1136 O ILE A 83 2.883 -8.839 0.873 1.00 0.00 O ATOM 1137 CB ILE A 83 4.294 -5.914 1.132 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.894 -6.529 -0.136 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.297 -4.987 1.796 1.00 0.00 C ATOM 1140 CD1 ILE A 83 5.303 -5.510 -1.179 1.00 0.00 C ATOM 0 H ILE A 83 5.211 -8.547 1.678 1.00 0.00 H new ATOM 0 HA ILE A 83 3.523 -6.558 3.045 1.00 0.00 H new ATOM 0 HB ILE A 83 3.418 -5.329 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.765 -7.124 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.167 -7.212 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.601 -4.214 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.840 -4.521 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.171 -5.559 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.718 -6.024 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.431 -4.931 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.054 -4.841 -0.759 1.00 0.00 H new ATOM 1152 N SER A 84 1.479 -7.270 1.646 1.00 0.00 N ATOM 1153 CA SER A 84 0.300 -7.904 1.079 1.00 0.00 C ATOM 1154 C SER A 84 -0.613 -6.877 0.421 1.00 0.00 C ATOM 1155 O SER A 84 -0.829 -5.785 0.951 1.00 0.00 O ATOM 1156 CB SER A 84 -0.457 -8.683 2.157 1.00 0.00 C ATOM 1157 OG SER A 84 0.268 -9.836 2.558 1.00 0.00 O ATOM 0 H SER A 84 1.290 -6.410 2.162 1.00 0.00 H new ATOM 0 HA SER A 84 0.629 -8.602 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.631 -8.040 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.435 -8.978 1.777 1.00 0.00 H new ATOM 0 HG SER A 84 0.955 -9.581 3.209 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.129 -7.231 -0.747 1.00 0.00 N ATOM 1164 CA GLU A 85 -2.016 -6.361 -1.509 1.00 0.00 C ATOM 1165 C GLU A 85 -3.174 -7.166 -2.098 1.00 0.00 C ATOM 1166 O GLU A 85 -2.977 -8.027 -2.953 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.219 -5.650 -2.612 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.418 -6.600 -3.493 1.00 0.00 C ATOM 1169 CD GLU A 85 0.647 -5.900 -4.313 1.00 0.00 C ATOM 1170 OE1 GLU A 85 0.306 -4.996 -5.100 1.00 0.00 O ATOM 1171 OE2 GLU A 85 1.838 -6.256 -4.168 1.00 0.00 O ATOM 0 H GLU A 85 -0.945 -8.129 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.439 -5.607 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.907 -5.081 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.539 -4.933 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.054 -7.356 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.099 -7.123 -4.164 1.00 0.00 H new ATOM 1178 N MET A 86 -4.382 -6.921 -1.608 1.00 0.00 N ATOM 1179 CA MET A 86 -5.556 -7.637 -2.088 1.00 0.00 C ATOM 1180 C MET A 86 -5.924 -7.223 -3.501 1.00 0.00 C ATOM 1181 O MET A 86 -5.946 -6.033 -3.822 1.00 0.00 O ATOM 1182 CB MET A 86 -6.758 -7.394 -1.188 1.00 0.00 C ATOM 1183 CG MET A 86 -7.269 -8.639 -0.499 1.00 0.00 C ATOM 1184 SD MET A 86 -6.269 -9.096 0.924 1.00 0.00 S ATOM 1185 CE MET A 86 -7.400 -10.167 1.803 1.00 0.00 C ATOM 0 H MET A 86 -4.574 -6.233 -0.880 1.00 0.00 H new ATOM 0 HA MET A 86 -5.296 -8.696 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.490 -6.656 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.564 -6.963 -1.783 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.298 -8.477 -0.179 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.282 -9.465 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.923 -10.532 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.300 -9.610 2.064 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.667 -11.012 1.169 1.00 0.00 H new ATOM 1195 N ASN A 87 -6.231 -8.223 -4.318 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.678 -8.029 -5.700 1.00 0.00 C ATOM 1197 C ASN A 87 -5.563 -7.498 -6.596 1.00 0.00 C ATOM 1198 O ASN A 87 -5.148 -8.182 -7.535 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.898 -7.099 -5.764 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.391 -6.862 -7.182 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -8.281 -7.724 -8.048 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.935 -5.680 -7.429 1.00 0.00 N ATOM 0 H ASN A 87 -6.177 -9.203 -4.041 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.966 -9.011 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.706 -7.528 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.642 -6.142 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.279 -5.462 -8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.010 -4.987 -6.684 1.00 0.00 H new ATOM 1209 N TYR A 88 -5.088 -6.284 -6.304 1.00 0.00 N ATOM 1210 CA TYR A 88 -4.077 -5.627 -7.131 1.00 0.00 C ATOM 1211 C TYR A 88 -4.604 -5.464 -8.565 1.00 0.00 C ATOM 1212 O TYR A 88 -3.851 -5.486 -9.539 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.766 -6.434 -7.081 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.624 -5.852 -7.886 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.244 -4.522 -7.744 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.931 -6.640 -8.795 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.204 -3.997 -8.486 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.108 -6.124 -9.537 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.468 -4.804 -9.381 1.00 0.00 C ATOM 1220 OH TYR A 88 1.510 -4.293 -10.122 1.00 0.00 O ATOM 0 H TYR A 88 -5.390 -5.736 -5.498 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.866 -4.630 -6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.450 -6.521 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.965 -7.444 -7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.770 -3.890 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.211 -7.675 -8.922 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.081 -2.962 -8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.638 -6.752 -10.238 1.00 0.00 H new ATOM 0 HH TYR A 88 2.330 -4.305 -9.585 1.00 0.00 H new ATOM 1230 N SER A 89 -5.919 -5.278 -8.670 1.00 0.00 N ATOM 1231 CA SER A 89 -6.595 -5.141 -9.956 1.00 0.00 C ATOM 1232 C SER A 89 -6.347 -6.369 -10.832 1.00 0.00 C ATOM 1233 O SER A 89 -5.652 -6.299 -11.847 1.00 0.00 O ATOM 1234 CB SER A 89 -6.140 -3.865 -10.665 1.00 0.00 C ATOM 1235 OG SER A 89 -6.337 -2.727 -9.836 1.00 0.00 O ATOM 0 H SER A 89 -6.544 -5.218 -7.866 1.00 0.00 H new ATOM 0 HA SER A 89 -7.667 -5.068 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.086 -3.948 -10.931 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.695 -3.743 -11.595 1.00 0.00 H new ATOM 0 HG SER A 89 -6.038 -1.922 -10.309 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.901 -7.497 -10.407 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.731 -8.738 -11.135 1.00 0.00 C ATOM 1243 C GLY A 90 -7.575 -9.855 -10.557 1.00 0.00 C ATOM 1244 O GLY A 90 -8.524 -10.318 -11.193 1.00 0.00 O ATOM 0 H GLY A 90 -7.470 -7.574 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.999 -8.585 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.681 -9.029 -11.115 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.239 -10.285 -9.350 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.008 -11.322 -8.689 1.00 0.00 C ATOM 1250 C GLY A 91 -8.698 -10.795 -7.449 1.00 0.00 C ATOM 1251 O GLY A 91 -8.034 -10.478 -6.464 1.00 0.00 O ATOM 0 H GLY A 91 -6.445 -9.934 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.752 -11.721 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.350 -12.147 -8.418 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.034 -10.672 -7.471 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.803 -10.120 -6.351 1.00 0.00 C ATOM 1257 C PRO A 92 -10.464 -10.772 -5.013 1.00 0.00 C ATOM 1258 O PRO A 92 -10.675 -11.972 -4.816 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.252 -10.406 -6.741 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.229 -10.443 -8.228 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.905 -11.052 -8.599 1.00 0.00 C ATOM 0 HA PRO A 92 -10.587 -9.062 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.597 -11.352 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.924 -9.631 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.056 -11.036 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.330 -9.442 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.975 -12.134 -8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.532 -10.661 -9.546 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.900 -9.956 -4.120 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.529 -10.364 -2.762 1.00 0.00 C ATOM 1271 C PHE A 93 -8.362 -11.340 -2.744 1.00 0.00 C ATOM 1272 O PHE A 93 -8.049 -11.913 -1.699 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.706 -10.968 -2.000 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.834 -10.004 -1.762 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.740 -9.037 -0.776 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.989 -10.069 -2.526 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.776 -8.149 -0.554 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -14.029 -9.185 -2.309 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.922 -8.225 -1.322 1.00 0.00 C ATOM 0 H PHE A 93 -9.685 -8.980 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.219 -9.448 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.085 -11.826 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.351 -11.342 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -10.846 -8.976 -0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.077 -10.818 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.690 -7.398 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.924 -9.245 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.734 -7.534 -1.151 1.00 0.00 H new ATOM 1289 N SER A 94 -7.709 -11.524 -3.881 1.00 0.00 N ATOM 1290 CA SER A 94 -6.487 -12.301 -3.910 1.00 0.00 C ATOM 1291 C SER A 94 -5.390 -11.513 -3.235 1.00 0.00 C ATOM 1292 O SER A 94 -4.778 -10.635 -3.845 1.00 0.00 O ATOM 1293 CB SER A 94 -6.064 -12.646 -5.337 1.00 0.00 C ATOM 1294 OG SER A 94 -7.004 -13.513 -5.953 1.00 0.00 O ATOM 0 H SER A 94 -8.002 -11.150 -4.783 1.00 0.00 H new ATOM 0 HA SER A 94 -6.667 -13.239 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.970 -11.732 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.082 -13.119 -5.324 1.00 0.00 H new ATOM 0 HG SER A 94 -6.711 -13.717 -6.866 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.200 -11.771 -1.955 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.140 -11.130 -1.217 1.00 0.00 C ATOM 1302 C VAL A 95 -2.788 -11.490 -1.838 1.00 0.00 C ATOM 1303 O VAL A 95 -2.265 -12.587 -1.641 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.177 -11.497 0.288 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -4.292 -12.998 0.497 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -2.958 -10.942 1.011 1.00 0.00 C ATOM 0 H VAL A 95 -5.767 -12.420 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.286 -10.052 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.068 -11.037 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.315 -13.216 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.209 -13.361 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.435 -13.495 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.006 -11.212 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.052 -11.359 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.941 -9.856 0.915 1.00 0.00 H new ATOM 1316 N SER A 96 -2.255 -10.586 -2.642 1.00 0.00 N ATOM 1317 CA SER A 96 -0.996 -10.823 -3.317 1.00 0.00 C ATOM 1318 C SER A 96 0.155 -10.627 -2.346 1.00 0.00 C ATOM 1319 O SER A 96 0.625 -9.514 -2.124 1.00 0.00 O ATOM 1320 CB SER A 96 -0.859 -9.902 -4.531 1.00 0.00 C ATOM 1321 OG SER A 96 -1.949 -10.082 -5.422 1.00 0.00 O ATOM 0 H SER A 96 -2.678 -9.680 -2.842 1.00 0.00 H new ATOM 0 HA SER A 96 -0.971 -11.852 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.818 -8.863 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.078 -10.110 -5.048 1.00 0.00 H new ATOM 0 HG SER A 96 -1.845 -9.484 -6.191 1.00 0.00 H new ATOM 1327 N SER A 97 0.552 -11.717 -1.721 1.00 0.00 N ATOM 1328 CA SER A 97 1.645 -11.688 -0.760 1.00 0.00 C ATOM 1329 C SER A 97 2.987 -11.559 -1.479 1.00 0.00 C ATOM 1330 O SER A 97 3.408 -12.461 -2.206 1.00 0.00 O ATOM 1331 CB SER A 97 1.608 -12.952 0.097 1.00 0.00 C ATOM 1332 OG SER A 97 0.334 -13.108 0.708 1.00 0.00 O ATOM 0 H SER A 97 0.135 -12.638 -1.859 1.00 0.00 H new ATOM 0 HA SER A 97 1.528 -10.820 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.830 -13.822 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.381 -12.900 0.864 1.00 0.00 H new ATOM 0 HG SER A 97 0.329 -13.924 1.251 1.00 0.00 H new ATOM 1338 N ARG A 98 3.646 -10.424 -1.293 1.00 0.00 N ATOM 1339 CA ARG A 98 4.913 -10.149 -1.960 1.00 0.00 C ATOM 1340 C ARG A 98 6.044 -10.078 -0.949 1.00 0.00 C ATOM 1341 O ARG A 98 5.813 -9.953 0.255 1.00 0.00 O ATOM 1342 CB ARG A 98 4.849 -8.833 -2.744 1.00 0.00 C ATOM 1343 CG ARG A 98 3.778 -8.785 -3.822 1.00 0.00 C ATOM 1344 CD ARG A 98 4.068 -9.737 -4.973 1.00 0.00 C ATOM 1345 NE ARG A 98 3.817 -11.135 -4.624 1.00 0.00 N ATOM 1346 CZ ARG A 98 3.670 -12.109 -5.517 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.794 -11.856 -6.815 1.00 0.00 N ATOM 1348 NH2 ARG A 98 3.405 -13.341 -5.110 1.00 0.00 N ATOM 0 H ARG A 98 3.323 -9.674 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 98 5.102 -10.965 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.676 -8.017 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.819 -8.655 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.813 -9.035 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.699 -7.768 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.452 -9.464 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.108 -9.624 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 98 3.751 -11.377 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.003 -10.910 -7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.680 -12.608 -7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.314 -13.541 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.292 -14.090 -5.793 1.00 0.00 H new ATOM 1362 N THR A 99 7.265 -10.163 -1.441 1.00 0.00 N ATOM 1363 CA THR A 99 8.436 -10.090 -0.593 1.00 0.00 C ATOM 1364 C THR A 99 9.483 -9.188 -1.234 1.00 0.00 C ATOM 1365 O THR A 99 10.048 -9.519 -2.275 1.00 0.00 O ATOM 1366 CB THR A 99 9.022 -11.490 -0.340 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.989 -12.337 0.178 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.184 -11.430 0.644 1.00 0.00 C ATOM 0 H THR A 99 7.471 -10.284 -2.433 1.00 0.00 H new ATOM 0 HA THR A 99 8.140 -9.670 0.368 1.00 0.00 H new ATOM 0 HB THR A 99 9.401 -11.890 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.352 -13.233 0.341 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.578 -12.434 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.970 -10.792 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.836 -11.022 1.593 1.00 0.00 H new ATOM 1376 N ILE A 100 9.710 -8.038 -0.627 1.00 0.00 N ATOM 1377 CA ILE A 100 10.639 -7.058 -1.164 1.00 0.00 C ATOM 1378 C ILE A 100 12.064 -7.357 -0.722 1.00 0.00 C ATOM 1379 O ILE A 100 12.323 -7.541 0.462 1.00 0.00 O ATOM 1380 CB ILE A 100 10.276 -5.628 -0.710 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.857 -5.255 -1.137 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.267 -4.626 -1.268 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.623 -5.344 -2.631 1.00 0.00 C ATOM 0 H ILE A 100 9.261 -7.757 0.245 1.00 0.00 H new ATOM 0 HA ILE A 100 10.568 -7.121 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 100 10.322 -5.603 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.151 -5.911 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.643 -4.239 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.996 -3.623 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.268 -4.867 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.251 -4.666 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.594 -5.064 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.304 -4.667 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.803 -6.365 -2.967 1.00 0.00 H new ATOM 1395 N SER A 101 12.976 -7.412 -1.675 1.00 0.00 N ATOM 1396 CA SER A 101 14.392 -7.550 -1.369 1.00 0.00 C ATOM 1397 C SER A 101 14.968 -6.191 -0.973 1.00 0.00 C ATOM 1398 O SER A 101 14.668 -5.188 -1.615 1.00 0.00 O ATOM 1399 CB SER A 101 15.137 -8.121 -2.576 1.00 0.00 C ATOM 1400 OG SER A 101 14.639 -9.407 -2.911 1.00 0.00 O ATOM 0 H SER A 101 12.763 -7.363 -2.671 1.00 0.00 H new ATOM 0 HA SER A 101 14.515 -8.239 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.027 -7.450 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.203 -8.184 -2.355 1.00 0.00 H new ATOM 0 HG SER A 101 15.127 -9.755 -3.686 1.00 0.00 H new ATOM 1406 N ALA A 102 15.785 -6.169 0.079 1.00 0.00 N ATOM 1407 CA ALA A 102 16.325 -4.925 0.636 1.00 0.00 C ATOM 1408 C ALA A 102 16.924 -4.007 -0.432 1.00 0.00 C ATOM 1409 O ALA A 102 16.726 -2.788 -0.393 1.00 0.00 O ATOM 1410 CB ALA A 102 17.368 -5.239 1.695 1.00 0.00 C ATOM 0 H ALA A 102 16.092 -7.009 0.569 1.00 0.00 H new ATOM 0 HA ALA A 102 15.489 -4.388 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.764 -4.309 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.910 -5.821 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.179 -5.813 1.248 1.00 0.00 H new ATOM 1416 N SER A 103 17.637 -4.593 -1.385 1.00 0.00 N ATOM 1417 CA SER A 103 18.286 -3.828 -2.444 1.00 0.00 C ATOM 1418 C SER A 103 17.284 -2.958 -3.208 1.00 0.00 C ATOM 1419 O SER A 103 17.558 -1.797 -3.512 1.00 0.00 O ATOM 1420 CB SER A 103 19.009 -4.780 -3.397 1.00 0.00 C ATOM 1421 OG SER A 103 18.163 -5.852 -3.785 1.00 0.00 O ATOM 0 H SER A 103 17.781 -5.601 -1.447 1.00 0.00 H new ATOM 0 HA SER A 103 19.012 -3.157 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.339 -4.234 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.903 -5.174 -2.914 1.00 0.00 H new ATOM 0 HG SER A 103 18.647 -6.446 -4.396 1.00 0.00 H new ATOM 1427 N GLU A 104 16.115 -3.511 -3.498 1.00 0.00 N ATOM 1428 CA GLU A 104 15.089 -2.778 -4.221 1.00 0.00 C ATOM 1429 C GLU A 104 14.105 -2.151 -3.236 1.00 0.00 C ATOM 1430 O GLU A 104 13.310 -1.294 -3.600 1.00 0.00 O ATOM 1431 CB GLU A 104 14.379 -3.703 -5.209 1.00 0.00 C ATOM 1432 CG GLU A 104 13.798 -2.970 -6.412 1.00 0.00 C ATOM 1433 CD GLU A 104 13.495 -3.899 -7.570 1.00 0.00 C ATOM 1434 OE1 GLU A 104 14.447 -4.347 -8.238 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.308 -4.197 -7.815 1.00 0.00 O ATOM 0 H GLU A 104 15.855 -4.464 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 104 15.553 -1.974 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.083 -4.459 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.577 -4.229 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.884 -2.457 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.500 -2.204 -6.740 1.00 0.00 H new ATOM 1442 N ALA A 105 14.187 -2.570 -1.978 1.00 0.00 N ATOM 1443 CA ALA A 105 13.386 -1.975 -0.914 1.00 0.00 C ATOM 1444 C ALA A 105 13.775 -0.520 -0.723 1.00 0.00 C ATOM 1445 O ALA A 105 12.938 0.327 -0.417 1.00 0.00 O ATOM 1446 CB ALA A 105 13.564 -2.737 0.389 1.00 0.00 C ATOM 0 H ALA A 105 14.803 -3.322 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 105 12.336 -2.031 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.957 -2.274 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.250 -3.772 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.613 -2.712 0.685 1.00 0.00 H new ATOM 1452 N GLY A 106 15.060 -0.243 -0.911 1.00 0.00 N ATOM 1453 CA GLY A 106 15.542 1.124 -0.864 1.00 0.00 C ATOM 1454 C GLY A 106 15.063 1.947 -2.050 1.00 0.00 C ATOM 1455 O GLY A 106 15.199 3.169 -2.061 1.00 0.00 O ATOM 0 H GLY A 106 15.778 -0.943 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.206 1.594 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.632 1.122 -0.843 1.00 0.00 H new ATOM 1459 N ASN A 107 14.496 1.273 -3.044 1.00 0.00 N ATOM 1460 CA ASN A 107 13.987 1.932 -4.244 1.00 0.00 C ATOM 1461 C ASN A 107 12.578 2.461 -4.027 1.00 0.00 C ATOM 1462 O ASN A 107 12.293 3.622 -4.313 1.00 0.00 O ATOM 1463 CB ASN A 107 13.979 0.953 -5.425 1.00 0.00 C ATOM 1464 CG ASN A 107 13.216 1.476 -6.638 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.801 2.087 -7.532 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.902 1.247 -6.676 1.00 0.00 N ATOM 0 H ASN A 107 14.376 0.260 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 107 14.647 2.771 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.007 0.738 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.535 0.011 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.348 1.582 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.451 0.737 -5.917 1.00 0.00 H new ATOM 1473 N TYR A 108 11.700 1.597 -3.530 1.00 0.00 N ATOM 1474 CA TYR A 108 10.286 1.915 -3.452 1.00 0.00 C ATOM 1475 C TYR A 108 10.012 2.979 -2.402 1.00 0.00 C ATOM 1476 O TYR A 108 10.635 2.991 -1.341 1.00 0.00 O ATOM 1477 CB TYR A 108 9.485 0.677 -3.098 1.00 0.00 C ATOM 1478 CG TYR A 108 9.765 -0.552 -3.933 1.00 0.00 C ATOM 1479 CD1 TYR A 108 9.387 -0.631 -5.268 1.00 0.00 C ATOM 1480 CD2 TYR A 108 10.371 -1.660 -3.359 1.00 0.00 C ATOM 1481 CE1 TYR A 108 9.613 -1.780 -6.004 1.00 0.00 C ATOM 1482 CE2 TYR A 108 10.589 -2.809 -4.085 1.00 0.00 C ATOM 1483 CZ TYR A 108 10.211 -2.868 -5.402 1.00 0.00 C ATOM 1484 OH TYR A 108 10.421 -4.027 -6.109 1.00 0.00 O ATOM 0 H TYR A 108 11.946 0.672 -3.176 1.00 0.00 H new ATOM 0 HA TYR A 108 9.987 2.292 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.673 0.433 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.425 0.917 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.910 0.217 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.677 -1.620 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.323 -1.825 -7.043 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.057 -3.663 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 108 11.023 -3.847 -6.861 1.00 0.00 H new ATOM 1494 N ASN A 109 9.066 3.854 -2.697 1.00 0.00 N ATOM 1495 CA ASN A 109 8.630 4.862 -1.743 1.00 0.00 C ATOM 1496 C ASN A 109 7.527 4.301 -0.863 1.00 0.00 C ATOM 1497 O ASN A 109 6.881 3.316 -1.219 1.00 0.00 O ATOM 1498 CB ASN A 109 8.111 6.112 -2.463 1.00 0.00 C ATOM 1499 CG ASN A 109 9.200 6.870 -3.189 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.499 6.601 -4.352 1.00 0.00 O ATOM 1501 ND2 ASN A 109 9.784 7.839 -2.507 1.00 0.00 N ATOM 0 H ASN A 109 8.582 3.887 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 109 9.488 5.139 -1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.341 5.820 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.638 6.773 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.516 8.400 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.503 8.026 -1.544 1.00 0.00 H new ATOM 1508 N TYR A 110 7.326 4.915 0.289 1.00 0.00 N ATOM 1509 CA TYR A 110 6.198 4.581 1.141 1.00 0.00 C ATOM 1510 C TYR A 110 5.733 5.845 1.848 1.00 0.00 C ATOM 1511 O TYR A 110 6.528 6.767 2.062 1.00 0.00 O ATOM 1512 CB TYR A 110 6.572 3.498 2.159 1.00 0.00 C ATOM 1513 CG TYR A 110 7.256 4.016 3.397 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.589 4.376 3.376 1.00 0.00 C ATOM 1515 CD2 TYR A 110 6.558 4.145 4.589 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.210 4.852 4.507 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.175 4.618 5.727 1.00 0.00 C ATOM 1518 CZ TYR A 110 8.502 4.973 5.679 1.00 0.00 C ATOM 1519 OH TYR A 110 9.129 5.454 6.807 1.00 0.00 O ATOM 0 H TYR A 110 7.931 5.649 0.657 1.00 0.00 H new ATOM 0 HA TYR A 110 5.390 4.181 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.667 2.966 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.225 2.772 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.152 4.282 2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.514 3.870 4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.253 5.130 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 110 6.620 4.709 6.649 1.00 0.00 H new ATOM 0 HH TYR A 110 8.491 5.479 7.550 1.00 0.00 H new ATOM 1529 N ILE A 111 4.462 5.905 2.210 1.00 0.00 N ATOM 1530 CA ILE A 111 3.916 7.110 2.791 1.00 0.00 C ATOM 1531 C ILE A 111 3.406 6.832 4.194 1.00 0.00 C ATOM 1532 O ILE A 111 2.817 5.783 4.453 1.00 0.00 O ATOM 1533 CB ILE A 111 2.792 7.690 1.905 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.596 6.737 1.844 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.332 7.943 0.504 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.425 7.274 1.045 1.00 0.00 C ATOM 0 H ILE A 111 3.797 5.138 2.111 1.00 0.00 H new ATOM 0 HA ILE A 111 4.711 7.853 2.851 1.00 0.00 H new ATOM 0 HB ILE A 111 2.452 8.629 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.919 5.792 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.263 6.522 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.540 8.352 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.158 8.653 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.686 7.005 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.383 6.543 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.075 8.204 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.741 7.462 0.019 1.00 0.00 H new ATOM 1548 N HIS A 112 3.668 7.749 5.110 1.00 0.00 N ATOM 1549 CA HIS A 112 3.236 7.574 6.485 1.00 0.00 C ATOM 1550 C HIS A 112 2.989 8.929 7.135 1.00 0.00 C ATOM 1551 O HIS A 112 3.630 9.919 6.782 1.00 0.00 O ATOM 1552 CB HIS A 112 4.272 6.767 7.292 1.00 0.00 C ATOM 1553 CG HIS A 112 5.542 7.504 7.617 1.00 0.00 C ATOM 1554 ND1 HIS A 112 5.680 8.280 8.745 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.740 7.560 6.977 1.00 0.00 C ATOM 1556 CE1 HIS A 112 6.896 8.782 8.788 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.566 8.362 7.733 1.00 0.00 N ATOM 0 H HIS A 112 4.174 8.616 4.928 1.00 0.00 H new ATOM 0 HA HIS A 112 2.302 7.011 6.481 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.810 6.442 8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.526 5.867 6.731 1.00 0.00 H new ATOM 0 HD1 HIS A 112 4.952 8.441 9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.996 7.068 6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.281 9.431 9.560 1.00 0.00 H new ATOM 1566 N ILE A 113 2.053 8.967 8.067 1.00 0.00 N ATOM 1567 CA ILE A 113 1.771 10.164 8.820 1.00 0.00 C ATOM 1568 C ILE A 113 2.884 10.423 9.834 1.00 0.00 C ATOM 1569 O ILE A 113 3.427 11.546 9.859 1.00 0.00 O ATOM 1570 CB ILE A 113 0.414 10.053 9.538 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.267 8.680 10.206 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.725 10.303 8.559 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.007 8.520 11.011 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.246 9.483 10.569 1.00 0.00 O ATOM 0 H ILE A 113 1.471 8.168 8.319 1.00 0.00 H new ATOM 0 HA ILE A 113 1.722 11.002 8.125 1.00 0.00 H new ATOM 0 HB ILE A 113 0.370 10.814 10.317 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.298 7.908 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.122 8.512 10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.678 10.221 9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.628 11.303 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.685 9.564 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.036 7.523 11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.033 9.268 11.804 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.869 8.654 10.358 1.00 0.00 H new