USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=33 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= 0.401 K(o=1,f=2.6) USER MOD Set 1.2: A 110 TYR OH : rot 110:sc= 0.98 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.356 K(o=1,f=-2.5!) USER MOD Set 2.1: A 76 ASN : amide:sc= 1.17 K(o=3.4,f=0.49) USER MOD Set 2.2: A 80 SER OG : rot -96:sc= 2.21 USER MOD Set 3.1: A 61 SER OG : rot 152:sc= 0.457 USER MOD Set 3.2: A 107 ASN : amide:sc= -0.0488 X(o=0.41,f=0.36) USER MOD Set 4.1: A 60 GLN : amide:sc= -0.288 K(o=-1.2,f=-9.5!) USER MOD Set 4.2: A 109 ASN : amide:sc= -0.9 K(o=-1.2,f=-3.6!) USER MOD Set 5.1: A 55 LYS NZ :NH3+ -122:sc= 0.545 (180deg=-2.37!) USER MOD Set 5.2: A 74 SER OG : rot 180:sc= 0.987 USER MOD Set 6.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 34 ASN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 9 ASN : amide:sc= -3.73! C(o=-3.7!,f=-7.7!) USER MOD Single : A 12 THR OG1 : rot 91:sc= 0.219 USER MOD Single : A 15 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.075) USER MOD Single : A 16 CYS SG : rot -107:sc= 0.974 USER MOD Single : A 17 THR OG1 : rot 64:sc= 0.0531 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -68:sc= 1.17 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 36 ASN : amide:sc= -0.433 K(o=-0.43,f=-3.7!) USER MOD Single : A 37 ASN : amide:sc=-0.000184 X(o=-0.00018,f=-0.16) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 48 THR OG1 : rot 97:sc= 0.957 USER MOD Single : A 51 HIS : no HE2:sc= 0.865 K(o=0.86,f=-4.3!) USER MOD Single : A 52 THR OG1 : rot -19:sc= 0.883 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 1.07 K(o=1.1,f=-5.1!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -170:sc= -0.223 USER MOD Single : A 86 MET CE :methyl -111:sc= -0.679 (180deg=-0.913) USER MOD Single : A 87 ASN : amide:sc= -0.0873 K(o=-0.087,f=-3.2!) USER MOD Single : A 88 TYR OH : rot -7:sc= 1.26 USER MOD Single : A 89 SER OG : rot -10:sc= 1.04 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 97 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 -94:sc= 1.32 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -14.153 1.267 3.408 1.00 0.00 N ATOM 99 CA ASN A 9 -13.380 2.284 2.706 1.00 0.00 C ATOM 100 C ASN A 9 -14.261 2.964 1.662 1.00 0.00 C ATOM 101 O ASN A 9 -15.358 2.487 1.364 1.00 0.00 O ATOM 102 CB ASN A 9 -12.142 1.638 2.058 1.00 0.00 C ATOM 103 CG ASN A 9 -11.231 2.618 1.340 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.203 3.812 1.633 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.455 2.107 0.403 1.00 0.00 N ATOM 0 HA ASN A 9 -13.037 3.042 3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.568 1.125 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.472 0.879 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.805 2.707 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.505 1.112 0.186 1.00 0.00 H new ATOM 112 N LEU A 10 -13.787 4.077 1.125 1.00 0.00 N ATOM 113 CA LEU A 10 -14.523 4.833 0.123 1.00 0.00 C ATOM 114 C LEU A 10 -14.298 4.258 -1.270 1.00 0.00 C ATOM 115 O LEU A 10 -15.025 4.577 -2.209 1.00 0.00 O ATOM 116 CB LEU A 10 -14.071 6.289 0.136 1.00 0.00 C ATOM 117 CG LEU A 10 -14.296 7.036 1.452 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.797 8.469 1.349 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.768 7.015 1.836 1.00 0.00 C ATOM 0 H LEU A 10 -12.883 4.481 1.370 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.584 4.768 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.008 6.324 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.595 6.821 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.728 6.528 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.967 8.982 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.731 8.468 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.336 8.986 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.907 7.551 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.355 7.495 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.098 5.983 1.956 1.00 0.00 H new ATOM 131 N TYR A 11 -13.281 3.419 -1.398 1.00 0.00 N ATOM 132 CA TYR A 11 -12.915 2.856 -2.688 1.00 0.00 C ATOM 133 C TYR A 11 -13.853 1.695 -3.052 1.00 0.00 C ATOM 134 O TYR A 11 -14.899 1.517 -2.425 1.00 0.00 O ATOM 135 CB TYR A 11 -11.449 2.406 -2.662 1.00 0.00 C ATOM 136 CG TYR A 11 -10.811 2.330 -4.030 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.595 3.480 -4.774 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.438 1.113 -4.579 1.00 0.00 C ATOM 139 CE1 TYR A 11 -10.027 3.421 -6.032 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.866 1.044 -5.835 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.664 2.199 -6.558 1.00 0.00 C ATOM 142 OH TYR A 11 -9.102 2.130 -7.812 1.00 0.00 O ATOM 0 H TYR A 11 -12.694 3.113 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.023 3.620 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.877 3.097 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.387 1.427 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.876 4.438 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.597 0.205 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.868 4.326 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.578 0.088 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.904 1.195 -8.031 1.00 0.00 H new ATOM 152 N THR A 12 -13.471 0.916 -4.059 1.00 0.00 N ATOM 153 CA THR A 12 -14.321 -0.138 -4.604 1.00 0.00 C ATOM 154 C THR A 12 -14.542 -1.279 -3.602 1.00 0.00 C ATOM 155 O THR A 12 -15.396 -1.182 -2.722 1.00 0.00 O ATOM 156 CB THR A 12 -13.702 -0.690 -5.903 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.199 0.404 -6.681 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.723 -1.475 -6.718 1.00 0.00 C ATOM 0 H THR A 12 -12.565 0.997 -4.520 1.00 0.00 H new ATOM 0 HA THR A 12 -15.295 0.302 -4.817 1.00 0.00 H new ATOM 0 HB THR A 12 -12.893 -1.371 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.261 0.567 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.252 -1.850 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.092 -2.314 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.556 -0.823 -6.983 1.00 0.00 H new ATOM 166 N ALA A 13 -13.756 -2.349 -3.727 1.00 0.00 N ATOM 167 CA ALA A 13 -13.880 -3.509 -2.857 1.00 0.00 C ATOM 168 C ALA A 13 -12.781 -4.515 -3.160 1.00 0.00 C ATOM 169 O ALA A 13 -12.608 -4.924 -4.308 1.00 0.00 O ATOM 170 CB ALA A 13 -15.247 -4.164 -3.012 1.00 0.00 C ATOM 0 H ALA A 13 -13.022 -2.432 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.778 -3.171 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.313 -5.028 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.026 -3.447 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.381 -4.486 -4.045 1.00 0.00 H new ATOM 176 N GLY A 14 -12.032 -4.890 -2.132 1.00 0.00 N ATOM 177 CA GLY A 14 -10.966 -5.859 -2.297 1.00 0.00 C ATOM 178 C GLY A 14 -9.916 -5.396 -3.282 1.00 0.00 C ATOM 179 O GLY A 14 -9.370 -6.191 -4.039 1.00 0.00 O ATOM 0 H GLY A 14 -12.145 -4.538 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.497 -6.048 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.388 -6.805 -2.637 1.00 0.00 H new ATOM 183 N GLN A 15 -9.651 -4.098 -3.280 1.00 0.00 N ATOM 184 CA GLN A 15 -8.674 -3.512 -4.190 1.00 0.00 C ATOM 185 C GLN A 15 -7.363 -3.235 -3.470 1.00 0.00 C ATOM 186 O GLN A 15 -7.318 -3.229 -2.238 1.00 0.00 O ATOM 187 CB GLN A 15 -9.224 -2.215 -4.784 1.00 0.00 C ATOM 188 CG GLN A 15 -10.493 -2.417 -5.589 1.00 0.00 C ATOM 189 CD GLN A 15 -10.235 -3.118 -6.901 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.078 -2.479 -7.938 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.126 -4.429 -6.850 1.00 0.00 N ATOM 0 H GLN A 15 -10.100 -3.427 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.484 -4.224 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.422 -1.509 -3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.464 -1.765 -5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.204 -2.999 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.956 -1.449 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.265 -4.918 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.903 -4.955 -7.695 1.00 0.00 H new ATOM 200 N CYS A 16 -6.307 -2.992 -4.239 1.00 0.00 N ATOM 201 CA CYS A 16 -4.999 -2.691 -3.673 1.00 0.00 C ATOM 202 C CYS A 16 -5.070 -1.435 -2.822 1.00 0.00 C ATOM 203 O CYS A 16 -4.592 -1.407 -1.694 1.00 0.00 O ATOM 204 CB CYS A 16 -3.967 -2.517 -4.789 1.00 0.00 C ATOM 205 SG CYS A 16 -4.515 -1.450 -6.143 1.00 0.00 S ATOM 0 H CYS A 16 -6.333 -2.998 -5.259 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.692 -3.524 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.053 -2.104 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.716 -3.498 -5.193 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.766 -2.175 -7.193 1.00 0.00 H new ATOM 211 N THR A 17 -5.729 -0.416 -3.351 1.00 0.00 N ATOM 212 CA THR A 17 -5.829 0.863 -2.668 1.00 0.00 C ATOM 213 C THR A 17 -6.997 0.853 -1.685 1.00 0.00 C ATOM 214 O THR A 17 -7.298 1.849 -1.030 1.00 0.00 O ATOM 215 CB THR A 17 -6.001 2.012 -3.676 1.00 0.00 C ATOM 216 OG1 THR A 17 -7.090 1.724 -4.559 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.734 2.220 -4.492 1.00 0.00 C ATOM 0 H THR A 17 -6.203 -0.451 -4.253 1.00 0.00 H new ATOM 0 HA THR A 17 -4.903 1.023 -2.116 1.00 0.00 H new ATOM 0 HB THR A 17 -6.208 2.924 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.925 1.688 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.885 3.038 -5.196 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.907 2.463 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.501 1.308 -5.041 1.00 0.00 H new ATOM 225 N TRP A 18 -7.653 -0.292 -1.599 1.00 0.00 N ATOM 226 CA TRP A 18 -8.771 -0.474 -0.697 1.00 0.00 C ATOM 227 C TRP A 18 -8.306 -1.186 0.570 1.00 0.00 C ATOM 228 O TRP A 18 -8.532 -0.709 1.683 1.00 0.00 O ATOM 229 CB TRP A 18 -9.854 -1.279 -1.408 1.00 0.00 C ATOM 230 CG TRP A 18 -11.140 -1.407 -0.657 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.203 -0.553 -0.706 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.512 -2.460 0.239 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.210 -1.017 0.097 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.813 -2.182 0.691 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.870 -3.611 0.704 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.487 -3.014 1.582 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.539 -4.434 1.588 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.836 -4.133 2.019 1.00 0.00 C ATOM 0 H TRP A 18 -7.424 -1.118 -2.152 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.180 0.494 -0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.058 -0.813 -2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.469 -2.278 -1.612 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.244 0.354 -1.291 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.114 -0.564 0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.869 -3.852 0.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.488 -2.783 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.053 -5.326 1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.332 -4.798 2.710 1.00 0.00 H new ATOM 249 N TYR A 19 -7.631 -2.321 0.384 1.00 0.00 N ATOM 250 CA TYR A 19 -7.114 -3.114 1.496 1.00 0.00 C ATOM 251 C TYR A 19 -6.107 -2.304 2.303 1.00 0.00 C ATOM 252 O TYR A 19 -6.091 -2.357 3.533 1.00 0.00 O ATOM 253 CB TYR A 19 -6.459 -4.390 0.960 1.00 0.00 C ATOM 254 CG TYR A 19 -5.859 -5.283 2.024 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.668 -5.996 2.900 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.483 -5.422 2.143 1.00 0.00 C ATOM 257 CE1 TYR A 19 -6.121 -6.821 3.865 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.928 -6.246 3.103 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.751 -6.942 3.961 1.00 0.00 C ATOM 260 OH TYR A 19 -4.203 -7.767 4.917 1.00 0.00 O ATOM 0 H TYR A 19 -7.429 -2.713 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.941 -3.386 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.204 -4.959 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.677 -4.112 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.742 -5.904 2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.835 -4.876 1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.763 -7.368 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.855 -6.344 3.180 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.226 -7.741 4.851 1.00 0.00 H new ATOM 270 N VAL A 20 -5.276 -1.555 1.594 1.00 0.00 N ATOM 271 CA VAL A 20 -4.301 -0.673 2.221 1.00 0.00 C ATOM 272 C VAL A 20 -4.975 0.293 3.192 1.00 0.00 C ATOM 273 O VAL A 20 -4.500 0.499 4.312 1.00 0.00 O ATOM 274 CB VAL A 20 -3.518 0.125 1.156 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.808 1.316 1.775 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.518 -0.776 0.454 1.00 0.00 C ATOM 0 H VAL A 20 -5.257 -1.540 0.574 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.605 -1.300 2.779 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.232 0.501 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.265 1.859 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.542 1.978 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.107 0.968 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.973 -0.201 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.816 -1.179 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.046 -1.596 -0.033 1.00 0.00 H new ATOM 286 N TYR A 21 -6.095 0.862 2.771 1.00 0.00 N ATOM 287 CA TYR A 21 -6.761 1.876 3.565 1.00 0.00 C ATOM 288 C TYR A 21 -7.440 1.260 4.787 1.00 0.00 C ATOM 289 O TYR A 21 -7.475 1.867 5.863 1.00 0.00 O ATOM 290 CB TYR A 21 -7.782 2.643 2.725 1.00 0.00 C ATOM 291 CG TYR A 21 -8.280 3.877 3.428 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.496 5.016 3.505 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.518 3.884 4.048 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.936 6.136 4.183 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.970 4.997 4.716 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.178 6.121 4.785 1.00 0.00 C ATOM 297 OH TYR A 21 -9.622 7.225 5.476 1.00 0.00 O ATOM 0 H TYR A 21 -6.557 0.639 1.889 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.000 2.576 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.330 2.925 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.625 1.991 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.527 5.029 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.138 3.001 4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.313 7.016 4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.943 4.990 5.185 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.516 7.048 5.836 1.00 0.00 H new ATOM 307 N ASP A 22 -7.974 0.058 4.626 1.00 0.00 N ATOM 308 CA ASP A 22 -8.628 -0.628 5.734 1.00 0.00 C ATOM 309 C ASP A 22 -7.604 -1.064 6.780 1.00 0.00 C ATOM 310 O ASP A 22 -7.859 -0.979 7.982 1.00 0.00 O ATOM 311 CB ASP A 22 -9.425 -1.837 5.236 1.00 0.00 C ATOM 312 CG ASP A 22 -10.071 -2.606 6.374 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.154 -2.190 6.840 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.494 -3.627 6.810 1.00 0.00 O ATOM 0 H ASP A 22 -7.969 -0.460 3.747 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.322 0.073 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.196 -1.501 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.764 -2.502 4.680 1.00 0.00 H new ATOM 319 N LYS A 23 -6.431 -1.497 6.319 1.00 0.00 N ATOM 320 CA LYS A 23 -5.366 -1.941 7.220 1.00 0.00 C ATOM 321 C LYS A 23 -4.877 -0.808 8.120 1.00 0.00 C ATOM 322 O LYS A 23 -4.581 -1.028 9.295 1.00 0.00 O ATOM 323 CB LYS A 23 -4.190 -2.531 6.438 1.00 0.00 C ATOM 324 CG LYS A 23 -4.458 -3.921 5.886 1.00 0.00 C ATOM 325 CD LYS A 23 -4.703 -4.934 6.998 1.00 0.00 C ATOM 326 CE LYS A 23 -3.501 -5.058 7.926 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.734 -6.038 9.019 1.00 0.00 N ATOM 0 H LYS A 23 -6.194 -1.550 5.328 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.792 -2.719 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.943 -1.864 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.316 -2.570 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.325 -3.889 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.609 -4.242 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.578 -4.636 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.926 -5.907 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.628 -5.362 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.275 -4.083 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.890 -6.089 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.551 -5.736 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.924 -6.975 8.610 1.00 0.00 H new ATOM 341 N VAL A 24 -4.792 0.402 7.578 1.00 0.00 N ATOM 342 CA VAL A 24 -4.377 1.552 8.378 1.00 0.00 C ATOM 343 C VAL A 24 -5.548 2.076 9.206 1.00 0.00 C ATOM 344 O VAL A 24 -5.381 2.936 10.065 1.00 0.00 O ATOM 345 CB VAL A 24 -3.787 2.690 7.516 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.550 2.205 6.779 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.815 3.234 6.537 1.00 0.00 C ATOM 0 H VAL A 24 -5.001 0.612 6.602 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.586 1.206 9.044 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.502 3.504 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.144 3.017 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.801 1.880 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.816 1.370 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.367 4.033 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.145 2.434 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.670 3.625 7.088 1.00 0.00 H new ATOM 357 N GLY A 25 -6.735 1.553 8.922 1.00 0.00 N ATOM 358 CA GLY A 25 -7.904 1.849 9.732 1.00 0.00 C ATOM 359 C GLY A 25 -8.491 3.211 9.441 1.00 0.00 C ATOM 360 O GLY A 25 -9.064 3.848 10.326 1.00 0.00 O ATOM 0 H GLY A 25 -6.910 0.924 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.663 1.087 9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.633 1.793 10.786 1.00 0.00 H new ATOM 364 N GLY A 26 -8.370 3.653 8.198 1.00 0.00 N ATOM 365 CA GLY A 26 -8.850 4.969 7.838 1.00 0.00 C ATOM 366 C GLY A 26 -7.987 6.062 8.427 1.00 0.00 C ATOM 367 O GLY A 26 -8.464 6.908 9.185 1.00 0.00 O ATOM 0 H GLY A 26 -7.949 3.124 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.868 5.065 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.876 5.089 8.185 1.00 0.00 H new ATOM 371 N GLU A 27 -6.711 6.044 8.080 1.00 0.00 N ATOM 372 CA GLU A 27 -5.753 6.974 8.656 1.00 0.00 C ATOM 373 C GLU A 27 -5.035 7.769 7.570 1.00 0.00 C ATOM 374 O GLU A 27 -4.985 8.998 7.617 1.00 0.00 O ATOM 375 CB GLU A 27 -4.747 6.208 9.517 1.00 0.00 C ATOM 376 CG GLU A 27 -3.730 7.084 10.224 1.00 0.00 C ATOM 377 CD GLU A 27 -2.873 6.289 11.183 1.00 0.00 C ATOM 378 OE1 GLU A 27 -1.912 5.638 10.726 1.00 0.00 O ATOM 379 OE2 GLU A 27 -3.170 6.297 12.398 1.00 0.00 O ATOM 0 H GLU A 27 -6.314 5.395 7.401 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.292 7.685 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.292 5.631 10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.217 5.494 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.093 7.570 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.247 7.874 10.768 1.00 0.00 H new ATOM 386 N ILE A 28 -4.491 7.069 6.588 1.00 0.00 N ATOM 387 CA ILE A 28 -3.720 7.718 5.540 1.00 0.00 C ATOM 388 C ILE A 28 -4.381 7.588 4.175 1.00 0.00 C ATOM 389 O ILE A 28 -4.909 6.537 3.821 1.00 0.00 O ATOM 390 CB ILE A 28 -2.272 7.162 5.465 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.253 5.627 5.417 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.446 7.661 6.640 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.303 5.039 4.024 1.00 0.00 C ATOM 0 H ILE A 28 -4.568 6.056 6.494 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.682 8.774 5.806 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.830 7.529 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.350 5.272 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.101 5.248 5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.435 7.261 6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.407 8.750 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.903 7.330 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.285 3.951 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.219 5.359 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.441 5.383 3.453 1.00 0.00 H new ATOM 405 N GLY A 29 -4.388 8.686 3.438 1.00 0.00 N ATOM 406 CA GLY A 29 -4.692 8.637 2.029 1.00 0.00 C ATOM 407 C GLY A 29 -6.166 8.590 1.706 1.00 0.00 C ATOM 408 O GLY A 29 -6.917 9.465 2.118 1.00 0.00 O ATOM 0 H GLY A 29 -4.186 9.619 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.255 9.511 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.210 7.760 1.597 1.00 0.00 H new ATOM 412 N SER A 30 -6.549 7.549 0.951 1.00 0.00 N ATOM 413 CA SER A 30 -7.862 7.414 0.292 1.00 0.00 C ATOM 414 C SER A 30 -8.008 8.443 -0.835 1.00 0.00 C ATOM 415 O SER A 30 -8.509 8.134 -1.915 1.00 0.00 O ATOM 416 CB SER A 30 -9.051 7.486 1.275 1.00 0.00 C ATOM 417 OG SER A 30 -9.294 8.797 1.755 1.00 0.00 O ATOM 0 H SER A 30 -5.937 6.752 0.775 1.00 0.00 H new ATOM 0 HA SER A 30 -7.893 6.413 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.948 7.114 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.857 6.826 2.120 1.00 0.00 H new ATOM 0 HG SER A 30 -8.551 9.078 2.329 1.00 0.00 H new ATOM 423 N THR A 31 -7.519 9.648 -0.591 1.00 0.00 N ATOM 424 CA THR A 31 -7.536 10.717 -1.571 1.00 0.00 C ATOM 425 C THR A 31 -6.241 10.720 -2.381 1.00 0.00 C ATOM 426 O THR A 31 -5.942 11.671 -3.103 1.00 0.00 O ATOM 427 CB THR A 31 -7.702 12.070 -0.861 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.718 12.188 0.180 1.00 0.00 O ATOM 429 CG2 THR A 31 -9.096 12.199 -0.263 1.00 0.00 C ATOM 0 H THR A 31 -7.097 9.912 0.299 1.00 0.00 H new ATOM 0 HA THR A 31 -8.374 10.555 -2.249 1.00 0.00 H new ATOM 0 HB THR A 31 -7.565 12.866 -1.592 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.822 13.051 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.191 13.164 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.840 12.125 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.257 11.400 0.461 1.00 0.00 H new ATOM 437 N TRP A 32 -5.481 9.635 -2.256 1.00 0.00 N ATOM 438 CA TRP A 32 -4.193 9.506 -2.934 1.00 0.00 C ATOM 439 C TRP A 32 -4.373 9.237 -4.437 1.00 0.00 C ATOM 440 O TRP A 32 -3.446 9.403 -5.229 1.00 0.00 O ATOM 441 CB TRP A 32 -3.362 8.401 -2.277 1.00 0.00 C ATOM 442 CG TRP A 32 -4.116 7.128 -2.144 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.882 6.559 -3.100 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.177 6.261 -1.009 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.444 5.414 -2.639 1.00 0.00 N ATOM 446 CE2 TRP A 32 -5.024 5.196 -1.355 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.607 6.283 0.263 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.316 4.160 -0.475 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.896 5.252 1.137 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.744 4.204 0.764 1.00 0.00 C ATOM 0 H TRP A 32 -5.737 8.827 -1.688 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.660 10.452 -2.835 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.462 8.227 -2.867 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.037 8.732 -1.291 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.027 6.960 -4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.078 4.812 -3.165 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.953 7.089 0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.971 3.350 -0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.460 5.256 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.950 3.414 1.470 1.00 0.00 H new ATOM 461 N GLY A 33 -5.579 8.824 -4.806 1.00 0.00 N ATOM 462 CA GLY A 33 -5.906 8.530 -6.190 1.00 0.00 C ATOM 463 C GLY A 33 -4.995 7.511 -6.851 1.00 0.00 C ATOM 464 O GLY A 33 -4.159 7.857 -7.686 1.00 0.00 O ATOM 0 H GLY A 33 -6.352 8.685 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.932 8.166 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.870 9.456 -6.763 1.00 0.00 H new ATOM 468 N ASN A 34 -5.205 6.247 -6.499 1.00 0.00 N ATOM 469 CA ASN A 34 -4.484 5.115 -7.073 1.00 0.00 C ATOM 470 C ASN A 34 -2.988 5.125 -6.758 1.00 0.00 C ATOM 471 O ASN A 34 -2.428 6.117 -6.303 1.00 0.00 O ATOM 472 CB ASN A 34 -4.711 5.020 -8.582 1.00 0.00 C ATOM 473 CG ASN A 34 -6.183 5.062 -8.949 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.712 6.105 -9.335 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.865 3.942 -8.783 1.00 0.00 N ATOM 0 H ASN A 34 -5.892 5.975 -5.796 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.898 4.227 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.192 5.841 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.272 4.095 -8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.866 3.921 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.390 3.099 -8.461 1.00 0.00 H new ATOM 482 N ALA A 35 -2.349 3.996 -7.034 1.00 0.00 N ATOM 483 CA ALA A 35 -0.994 3.720 -6.569 1.00 0.00 C ATOM 484 C ALA A 35 0.078 4.567 -7.257 1.00 0.00 C ATOM 485 O ALA A 35 1.032 5.002 -6.616 1.00 0.00 O ATOM 486 CB ALA A 35 -0.692 2.246 -6.753 1.00 0.00 C ATOM 0 H ALA A 35 -2.756 3.243 -7.588 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.960 3.992 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.320 2.036 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.403 1.654 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.775 1.986 -7.808 1.00 0.00 H new ATOM 492 N ASN A 36 -0.059 4.792 -8.554 1.00 0.00 N ATOM 493 CA ASN A 36 0.975 5.509 -9.303 1.00 0.00 C ATOM 494 C ASN A 36 0.873 7.019 -9.103 1.00 0.00 C ATOM 495 O ASN A 36 1.683 7.782 -9.632 1.00 0.00 O ATOM 496 CB ASN A 36 0.925 5.167 -10.798 1.00 0.00 C ATOM 497 CG ASN A 36 -0.427 5.430 -11.446 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.229 6.234 -10.968 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.674 4.771 -12.567 1.00 0.00 N ATOM 0 H ASN A 36 -0.862 4.496 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 36 1.936 5.179 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.686 5.748 -11.319 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.181 4.116 -10.929 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.552 4.922 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.013 4.113 -12.934 1.00 0.00 H new ATOM 506 N ASN A 37 -0.119 7.440 -8.342 1.00 0.00 N ATOM 507 CA ASN A 37 -0.290 8.847 -8.011 1.00 0.00 C ATOM 508 C ASN A 37 -0.157 9.015 -6.504 1.00 0.00 C ATOM 509 O ASN A 37 -0.320 10.107 -5.963 1.00 0.00 O ATOM 510 CB ASN A 37 -1.657 9.331 -8.508 1.00 0.00 C ATOM 511 CG ASN A 37 -1.854 10.831 -8.395 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.444 11.590 -9.273 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.507 11.266 -7.330 1.00 0.00 N ATOM 0 H ASN A 37 -0.825 6.825 -7.937 1.00 0.00 H new ATOM 0 HA ASN A 37 0.476 9.450 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.780 9.035 -9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.439 8.827 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.687 12.263 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.830 10.604 -6.625 1.00 0.00 H new ATOM 520 N TRP A 38 0.199 7.912 -5.850 1.00 0.00 N ATOM 521 CA TRP A 38 0.227 7.828 -4.398 1.00 0.00 C ATOM 522 C TRP A 38 1.061 8.931 -3.773 1.00 0.00 C ATOM 523 O TRP A 38 0.531 9.786 -3.074 1.00 0.00 O ATOM 524 CB TRP A 38 0.778 6.480 -3.956 1.00 0.00 C ATOM 525 CG TRP A 38 -0.213 5.675 -3.201 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.499 5.415 -3.559 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.002 5.024 -1.955 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.106 4.653 -2.604 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.204 4.403 -1.595 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.102 4.912 -1.106 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.337 3.684 -0.407 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.969 4.198 0.060 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.242 3.597 0.403 1.00 0.00 C ATOM 0 H TRP A 38 0.477 7.049 -6.318 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.802 7.945 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.102 5.920 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.660 6.639 -3.335 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.971 5.761 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.071 4.323 -2.633 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.042 5.378 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.271 3.214 -0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.816 4.100 0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.315 3.050 1.331 1.00 0.00 H new ATOM 544 N ALA A 39 2.365 8.910 -4.038 1.00 0.00 N ATOM 545 CA ALA A 39 3.295 9.841 -3.405 1.00 0.00 C ATOM 546 C ALA A 39 2.874 11.289 -3.633 1.00 0.00 C ATOM 547 O ALA A 39 2.933 12.108 -2.720 1.00 0.00 O ATOM 548 CB ALA A 39 4.711 9.607 -3.915 1.00 0.00 C ATOM 0 H ALA A 39 2.802 8.257 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 39 3.275 9.656 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.392 10.309 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.017 8.587 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.739 9.757 -4.994 1.00 0.00 H new ATOM 554 N ALA A 40 2.420 11.585 -4.842 1.00 0.00 N ATOM 555 CA ALA A 40 1.985 12.930 -5.190 1.00 0.00 C ATOM 556 C ALA A 40 0.817 13.376 -4.313 1.00 0.00 C ATOM 557 O ALA A 40 0.884 14.417 -3.652 1.00 0.00 O ATOM 558 CB ALA A 40 1.598 12.985 -6.657 1.00 0.00 C ATOM 0 H ALA A 40 2.343 10.909 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 40 2.814 13.615 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.274 13.994 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.458 12.716 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.784 12.285 -6.845 1.00 0.00 H new ATOM 564 N ALA A 41 -0.241 12.576 -4.293 1.00 0.00 N ATOM 565 CA ALA A 41 -1.435 12.900 -3.522 1.00 0.00 C ATOM 566 C ALA A 41 -1.169 12.813 -2.021 1.00 0.00 C ATOM 567 O ALA A 41 -1.696 13.604 -1.234 1.00 0.00 O ATOM 568 CB ALA A 41 -2.574 11.973 -3.916 1.00 0.00 C ATOM 0 H ALA A 41 -0.297 11.695 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.717 13.928 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.463 12.221 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.789 12.092 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.288 10.940 -3.717 1.00 0.00 H new ATOM 574 N ALA A 42 -0.341 11.851 -1.638 1.00 0.00 N ATOM 575 CA ALA A 42 0.007 11.622 -0.242 1.00 0.00 C ATOM 576 C ALA A 42 0.772 12.801 0.346 1.00 0.00 C ATOM 577 O ALA A 42 0.450 13.281 1.433 1.00 0.00 O ATOM 578 CB ALA A 42 0.838 10.362 -0.126 1.00 0.00 C ATOM 0 H ALA A 42 0.109 11.206 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.918 11.509 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.097 10.192 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.266 9.513 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.750 10.472 -0.713 1.00 0.00 H new ATOM 584 N GLN A 43 1.785 13.267 -0.377 1.00 0.00 N ATOM 585 CA GLN A 43 2.604 14.383 0.085 1.00 0.00 C ATOM 586 C GLN A 43 1.776 15.660 0.176 1.00 0.00 C ATOM 587 O GLN A 43 2.064 16.540 0.985 1.00 0.00 O ATOM 588 CB GLN A 43 3.806 14.589 -0.840 1.00 0.00 C ATOM 589 CG GLN A 43 4.835 13.471 -0.768 1.00 0.00 C ATOM 590 CD GLN A 43 5.947 13.639 -1.784 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.738 14.177 -2.872 1.00 0.00 O ATOM 592 NE2 GLN A 43 7.144 13.196 -1.432 1.00 0.00 N ATOM 0 H GLN A 43 2.059 12.890 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 43 2.973 14.143 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.451 14.678 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.290 15.532 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.264 13.440 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.339 12.514 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.277 12.756 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.933 13.295 -2.071 1.00 0.00 H new ATOM 601 N GLY A 44 0.736 15.745 -0.647 1.00 0.00 N ATOM 602 CA GLY A 44 -0.172 16.875 -0.581 1.00 0.00 C ATOM 603 C GLY A 44 -1.091 16.795 0.624 1.00 0.00 C ATOM 604 O GLY A 44 -1.569 17.812 1.124 1.00 0.00 O ATOM 0 H GLY A 44 0.506 15.051 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.403 17.800 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.770 16.913 -1.491 1.00 0.00 H new ATOM 608 N ALA A 45 -1.326 15.576 1.098 1.00 0.00 N ATOM 609 CA ALA A 45 -2.169 15.353 2.263 1.00 0.00 C ATOM 610 C ALA A 45 -1.362 15.501 3.550 1.00 0.00 C ATOM 611 O ALA A 45 -1.915 15.471 4.650 1.00 0.00 O ATOM 612 CB ALA A 45 -2.817 13.977 2.194 1.00 0.00 C ATOM 0 H ALA A 45 -0.941 14.724 0.689 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.956 16.107 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.444 13.826 3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.429 13.908 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.042 13.211 2.165 1.00 0.00 H new ATOM 618 N GLY A 46 -0.051 15.649 3.404 1.00 0.00 N ATOM 619 CA GLY A 46 0.805 15.859 4.555 1.00 0.00 C ATOM 620 C GLY A 46 1.458 14.583 5.053 1.00 0.00 C ATOM 621 O GLY A 46 1.455 14.308 6.253 1.00 0.00 O ATOM 0 H GLY A 46 0.435 15.627 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.581 16.580 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.218 16.298 5.362 1.00 0.00 H new ATOM 625 N PHE A 47 2.003 13.791 4.135 1.00 0.00 N ATOM 626 CA PHE A 47 2.692 12.558 4.506 1.00 0.00 C ATOM 627 C PHE A 47 4.190 12.708 4.289 1.00 0.00 C ATOM 628 O PHE A 47 4.633 13.566 3.522 1.00 0.00 O ATOM 629 CB PHE A 47 2.200 11.358 3.685 1.00 0.00 C ATOM 630 CG PHE A 47 0.740 11.014 3.838 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.110 11.778 4.620 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.221 9.918 3.171 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.448 11.456 4.728 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.112 9.587 3.276 1.00 0.00 C ATOM 635 CZ PHE A 47 -1.949 10.362 4.056 1.00 0.00 C ATOM 0 H PHE A 47 1.982 13.979 3.133 1.00 0.00 H new ATOM 0 HA PHE A 47 2.475 12.376 5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.399 11.556 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.791 10.485 3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.278 12.635 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.872 9.312 2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.102 12.061 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.501 8.727 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.996 10.110 4.139 1.00 0.00 H new ATOM 645 N THR A 48 4.958 11.864 4.954 1.00 0.00 N ATOM 646 CA THR A 48 6.400 11.844 4.797 1.00 0.00 C ATOM 647 C THR A 48 6.830 10.554 4.097 1.00 0.00 C ATOM 648 O THR A 48 6.582 9.455 4.605 1.00 0.00 O ATOM 649 CB THR A 48 7.094 11.927 6.172 1.00 0.00 C ATOM 650 OG1 THR A 48 6.435 12.907 6.991 1.00 0.00 O ATOM 651 CG2 THR A 48 8.562 12.297 6.023 1.00 0.00 C ATOM 0 H THR A 48 4.601 11.175 5.616 1.00 0.00 H new ATOM 0 HA THR A 48 6.692 12.705 4.196 1.00 0.00 H new ATOM 0 HB THR A 48 7.030 10.947 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.791 12.461 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.026 12.348 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.068 11.542 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.645 13.267 5.532 1.00 0.00 H new ATOM 659 N VAL A 49 7.444 10.673 2.924 1.00 0.00 N ATOM 660 CA VAL A 49 7.902 9.496 2.201 1.00 0.00 C ATOM 661 C VAL A 49 9.432 9.397 2.251 1.00 0.00 C ATOM 662 O VAL A 49 10.146 10.373 2.010 1.00 0.00 O ATOM 663 CB VAL A 49 7.388 9.462 0.728 1.00 0.00 C ATOM 664 CG1 VAL A 49 6.033 10.149 0.606 1.00 0.00 C ATOM 665 CG2 VAL A 49 8.380 10.061 -0.258 1.00 0.00 C ATOM 0 H VAL A 49 7.633 11.561 2.460 1.00 0.00 H new ATOM 0 HA VAL A 49 7.476 8.626 2.700 1.00 0.00 H new ATOM 0 HB VAL A 49 7.276 8.410 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.698 10.111 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.308 9.639 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.123 11.189 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.968 10.009 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.570 11.102 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.314 9.501 -0.219 1.00 0.00 H new ATOM 675 N ASN A 50 9.931 8.222 2.616 1.00 0.00 N ATOM 676 CA ASN A 50 11.374 7.990 2.697 1.00 0.00 C ATOM 677 C ASN A 50 11.754 6.829 1.801 1.00 0.00 C ATOM 678 O ASN A 50 12.905 6.392 1.783 1.00 0.00 O ATOM 679 CB ASN A 50 11.803 7.663 4.130 1.00 0.00 C ATOM 680 CG ASN A 50 11.269 8.629 5.164 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.143 9.829 4.922 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.933 8.099 6.327 1.00 0.00 N ATOM 0 H ASN A 50 9.360 7.413 2.861 1.00 0.00 H new ATOM 0 HA ASN A 50 11.879 8.901 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.467 6.657 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.892 7.657 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.553 8.690 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.054 7.099 6.486 1.00 0.00 H new ATOM 689 N HIS A 51 10.759 6.364 1.048 1.00 0.00 N ATOM 690 CA HIS A 51 10.846 5.154 0.224 1.00 0.00 C ATOM 691 C HIS A 51 11.651 4.037 0.901 1.00 0.00 C ATOM 692 O HIS A 51 12.774 3.723 0.509 1.00 0.00 O ATOM 693 CB HIS A 51 11.360 5.449 -1.210 1.00 0.00 C ATOM 694 CG HIS A 51 12.736 6.053 -1.316 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.842 5.327 -1.695 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.170 7.322 -1.128 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.896 6.120 -1.732 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.516 7.337 -1.393 1.00 0.00 N ATOM 0 H HIS A 51 9.851 6.825 0.991 1.00 0.00 H new ATOM 0 HA HIS A 51 9.825 4.786 0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.351 4.517 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.653 6.122 -1.695 1.00 0.00 H new ATOM 0 HD1 HIS A 51 13.846 4.331 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.568 8.166 -0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.900 5.823 -1.995 1.00 0.00 H new ATOM 707 N THR A 52 11.059 3.470 1.944 1.00 0.00 N ATOM 708 CA THR A 52 11.642 2.356 2.679 1.00 0.00 C ATOM 709 C THR A 52 10.543 1.652 3.481 1.00 0.00 C ATOM 710 O THR A 52 10.110 2.159 4.513 1.00 0.00 O ATOM 711 CB THR A 52 12.756 2.821 3.650 1.00 0.00 C ATOM 712 OG1 THR A 52 13.766 3.560 2.946 1.00 0.00 O ATOM 713 CG2 THR A 52 13.401 1.630 4.339 1.00 0.00 C ATOM 0 H THR A 52 10.155 3.772 2.306 1.00 0.00 H new ATOM 0 HA THR A 52 12.090 1.676 1.954 1.00 0.00 H new ATOM 0 HB THR A 52 12.294 3.464 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.709 3.361 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.180 1.980 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.646 1.085 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.840 0.970 3.590 1.00 0.00 H new ATOM 721 N PRO A 53 10.051 0.498 2.999 1.00 0.00 N ATOM 722 CA PRO A 53 8.948 -0.233 3.643 1.00 0.00 C ATOM 723 C PRO A 53 9.222 -0.580 5.109 1.00 0.00 C ATOM 724 O PRO A 53 10.372 -0.763 5.520 1.00 0.00 O ATOM 725 CB PRO A 53 8.822 -1.510 2.806 1.00 0.00 C ATOM 726 CG PRO A 53 10.099 -1.607 2.044 1.00 0.00 C ATOM 727 CD PRO A 53 10.529 -0.196 1.794 1.00 0.00 C ATOM 0 HA PRO A 53 8.041 0.371 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.675 -2.384 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.966 -1.457 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.853 -2.152 2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.956 -2.145 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.610 -0.115 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.082 0.210 0.887 1.00 0.00 H new ATOM 735 N SER A 54 8.146 -0.689 5.880 1.00 0.00 N ATOM 736 CA SER A 54 8.230 -0.937 7.309 1.00 0.00 C ATOM 737 C SER A 54 6.867 -1.398 7.819 1.00 0.00 C ATOM 738 O SER A 54 5.851 -1.178 7.158 1.00 0.00 O ATOM 739 CB SER A 54 8.676 0.335 8.042 1.00 0.00 C ATOM 740 OG SER A 54 8.874 0.093 9.426 1.00 0.00 O ATOM 0 H SER A 54 7.192 -0.607 5.529 1.00 0.00 H new ATOM 0 HA SER A 54 8.967 -1.716 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.601 0.706 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.925 1.114 7.911 1.00 0.00 H new ATOM 0 HG SER A 54 9.159 0.921 9.865 1.00 0.00 H new ATOM 746 N LYS A 55 6.848 -2.042 8.978 1.00 0.00 N ATOM 747 CA LYS A 55 5.606 -2.545 9.556 1.00 0.00 C ATOM 748 C LYS A 55 4.648 -1.396 9.850 1.00 0.00 C ATOM 749 O LYS A 55 5.023 -0.418 10.500 1.00 0.00 O ATOM 750 CB LYS A 55 5.895 -3.325 10.842 1.00 0.00 C ATOM 751 CG LYS A 55 4.646 -3.776 11.585 1.00 0.00 C ATOM 752 CD LYS A 55 4.972 -4.462 12.911 1.00 0.00 C ATOM 753 CE LYS A 55 5.659 -5.806 12.716 1.00 0.00 C ATOM 754 NZ LYS A 55 7.126 -5.672 12.514 1.00 0.00 N ATOM 0 H LYS A 55 7.679 -2.229 9.538 1.00 0.00 H new ATOM 0 HA LYS A 55 5.139 -3.214 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.496 -4.201 10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.495 -2.702 11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.007 -2.913 11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.079 -4.461 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.614 -3.812 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.052 -4.606 13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.471 -6.436 13.586 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.222 -6.312 11.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.391 -6.098 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.386 -4.665 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.628 -6.159 13.283 1.00 0.00 H new ATOM 768 N GLY A 56 3.420 -1.513 9.360 1.00 0.00 N ATOM 769 CA GLY A 56 2.430 -0.484 9.605 1.00 0.00 C ATOM 770 C GLY A 56 2.471 0.607 8.559 1.00 0.00 C ATOM 771 O GLY A 56 1.875 1.672 8.735 1.00 0.00 O ATOM 0 H GLY A 56 3.093 -2.300 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.437 -0.933 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.598 -0.048 10.590 1.00 0.00 H new ATOM 775 N ALA A 57 3.188 0.348 7.477 1.00 0.00 N ATOM 776 CA ALA A 57 3.271 1.283 6.369 1.00 0.00 C ATOM 777 C ALA A 57 2.874 0.590 5.075 1.00 0.00 C ATOM 778 O ALA A 57 2.415 -0.549 5.100 1.00 0.00 O ATOM 779 CB ALA A 57 4.669 1.862 6.262 1.00 0.00 C ATOM 0 H ALA A 57 3.724 -0.509 7.343 1.00 0.00 H new ATOM 0 HA ALA A 57 2.580 2.106 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.711 2.560 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.917 2.386 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.385 1.057 6.098 1.00 0.00 H new ATOM 785 N ILE A 58 3.041 1.265 3.944 1.00 0.00 N ATOM 786 CA ILE A 58 2.597 0.713 2.673 1.00 0.00 C ATOM 787 C ILE A 58 3.665 0.863 1.598 1.00 0.00 C ATOM 788 O ILE A 58 4.337 1.885 1.517 1.00 0.00 O ATOM 789 CB ILE A 58 1.293 1.373 2.167 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.188 1.333 3.229 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.817 0.692 0.892 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.251 2.460 4.239 1.00 0.00 C ATOM 0 H ILE A 58 3.476 2.186 3.882 1.00 0.00 H new ATOM 0 HA ILE A 58 2.406 -0.344 2.860 1.00 0.00 H new ATOM 0 HB ILE A 58 1.514 2.419 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.780 1.362 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.245 0.382 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.102 1.167 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.584 0.783 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.627 -0.363 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.566 2.355 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.203 2.421 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.162 3.416 3.723 1.00 0.00 H new ATOM 804 N LEU A 59 3.798 -0.169 0.784 1.00 0.00 N ATOM 805 CA LEU A 59 4.742 -0.199 -0.321 1.00 0.00 C ATOM 806 C LEU A 59 4.135 0.511 -1.529 1.00 0.00 C ATOM 807 O LEU A 59 2.935 0.392 -1.769 1.00 0.00 O ATOM 808 CB LEU A 59 5.018 -1.663 -0.665 1.00 0.00 C ATOM 809 CG LEU A 59 6.283 -1.946 -1.449 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.466 -2.056 -0.506 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.117 -3.211 -2.273 1.00 0.00 C ATOM 0 H LEU A 59 3.246 -1.022 0.872 1.00 0.00 H new ATOM 0 HA LEU A 59 5.669 0.306 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.059 -2.230 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.171 -2.045 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 59 6.472 -1.120 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.371 -2.260 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.585 -1.120 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.294 -2.868 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.033 -3.404 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.912 -4.052 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.287 -3.086 -2.968 1.00 0.00 H new ATOM 823 N GLN A 60 4.947 1.237 -2.291 1.00 0.00 N ATOM 824 CA GLN A 60 4.433 1.992 -3.430 1.00 0.00 C ATOM 825 C GLN A 60 5.436 2.031 -4.579 1.00 0.00 C ATOM 826 O GLN A 60 6.644 2.119 -4.370 1.00 0.00 O ATOM 827 CB GLN A 60 4.060 3.412 -2.975 1.00 0.00 C ATOM 828 CG GLN A 60 3.355 4.269 -4.024 1.00 0.00 C ATOM 829 CD GLN A 60 4.304 4.960 -4.989 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.449 5.250 -4.654 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.826 5.245 -6.191 1.00 0.00 N ATOM 0 H GLN A 60 5.953 1.319 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 60 3.542 1.489 -3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.417 3.338 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.969 3.926 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.668 3.641 -4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.753 5.024 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.869 4.988 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.415 5.721 -6.874 1.00 0.00 H new ATOM 840 N SER A 61 4.906 1.961 -5.795 1.00 0.00 N ATOM 841 CA SER A 61 5.706 1.998 -7.003 1.00 0.00 C ATOM 842 C SER A 61 4.878 2.554 -8.155 1.00 0.00 C ATOM 843 O SER A 61 3.649 2.633 -8.066 1.00 0.00 O ATOM 844 CB SER A 61 6.195 0.594 -7.356 1.00 0.00 C ATOM 845 OG SER A 61 6.973 0.606 -8.534 1.00 0.00 O ATOM 0 H SER A 61 3.904 1.877 -5.966 1.00 0.00 H new ATOM 0 HA SER A 61 6.568 2.642 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.785 0.193 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.340 -0.069 -7.488 1.00 0.00 H new ATOM 0 HG SER A 61 7.613 -0.136 -8.511 1.00 0.00 H new ATOM 851 N SER A 62 5.554 2.927 -9.229 1.00 0.00 N ATOM 852 CA SER A 62 4.890 3.411 -10.425 1.00 0.00 C ATOM 853 C SER A 62 5.165 2.466 -11.594 1.00 0.00 C ATOM 854 O SER A 62 4.932 2.804 -12.752 1.00 0.00 O ATOM 855 CB SER A 62 5.380 4.822 -10.755 1.00 0.00 C ATOM 856 OG SER A 62 5.328 5.657 -9.609 1.00 0.00 O ATOM 0 H SER A 62 6.572 2.903 -9.295 1.00 0.00 H new ATOM 0 HA SER A 62 3.815 3.444 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.402 4.778 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.766 5.248 -11.549 1.00 0.00 H new ATOM 0 HG SER A 62 5.647 6.554 -9.843 1.00 0.00 H new ATOM 862 N GLU A 63 5.638 1.264 -11.270 1.00 0.00 N ATOM 863 CA GLU A 63 5.999 0.261 -12.277 1.00 0.00 C ATOM 864 C GLU A 63 4.769 -0.478 -12.814 1.00 0.00 C ATOM 865 O GLU A 63 4.888 -1.575 -13.361 1.00 0.00 O ATOM 866 CB GLU A 63 6.967 -0.759 -11.674 1.00 0.00 C ATOM 867 CG GLU A 63 8.251 -0.152 -11.132 1.00 0.00 C ATOM 868 CD GLU A 63 9.037 -1.133 -10.284 1.00 0.00 C ATOM 869 OE1 GLU A 63 8.687 -1.312 -9.095 1.00 0.00 O ATOM 870 OE2 GLU A 63 9.994 -1.744 -10.801 1.00 0.00 O ATOM 0 H GLU A 63 5.782 0.956 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 63 6.471 0.789 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.461 -1.291 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.220 -1.498 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.871 0.184 -11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.011 0.729 -10.537 1.00 0.00 H new ATOM 877 N GLY A 64 3.602 0.131 -12.682 1.00 0.00 N ATOM 878 CA GLY A 64 2.376 -0.513 -13.110 1.00 0.00 C ATOM 879 C GLY A 64 1.382 0.475 -13.684 1.00 0.00 C ATOM 880 O GLY A 64 1.500 1.678 -13.445 1.00 0.00 O ATOM 0 H GLY A 64 3.480 1.063 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.608 -1.270 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.924 -1.030 -12.263 1.00 0.00 H new ATOM 884 N PRO A 65 0.371 -0.009 -14.428 1.00 0.00 N ATOM 885 CA PRO A 65 -0.644 0.845 -15.060 1.00 0.00 C ATOM 886 C PRO A 65 -1.421 1.666 -14.036 1.00 0.00 C ATOM 887 O PRO A 65 -1.809 2.805 -14.294 1.00 0.00 O ATOM 888 CB PRO A 65 -1.572 -0.148 -15.772 1.00 0.00 C ATOM 889 CG PRO A 65 -1.298 -1.469 -15.138 1.00 0.00 C ATOM 890 CD PRO A 65 0.142 -1.436 -14.709 1.00 0.00 C ATOM 0 HA PRO A 65 -0.196 1.575 -15.734 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.618 0.136 -15.652 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.370 -0.176 -16.843 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.955 -1.635 -14.284 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.477 -2.283 -15.841 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.315 -2.054 -13.828 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.805 -1.805 -15.492 1.00 0.00 H new ATOM 898 N PHE A 66 -1.651 1.074 -12.873 1.00 0.00 N ATOM 899 CA PHE A 66 -2.279 1.778 -11.765 1.00 0.00 C ATOM 900 C PHE A 66 -1.255 2.058 -10.677 1.00 0.00 C ATOM 901 O PHE A 66 -1.574 2.647 -9.646 1.00 0.00 O ATOM 902 CB PHE A 66 -3.445 0.969 -11.190 1.00 0.00 C ATOM 903 CG PHE A 66 -4.625 0.863 -12.114 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.563 1.881 -12.178 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.796 -0.253 -12.915 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.653 1.785 -13.025 1.00 0.00 C ATOM 907 CE2 PHE A 66 -5.882 -0.354 -13.763 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.811 0.667 -13.819 1.00 0.00 C ATOM 0 H PHE A 66 -1.411 0.103 -12.672 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.671 2.723 -12.141 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.094 -0.034 -10.948 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.767 1.428 -10.256 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.442 2.759 -11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.072 -1.054 -12.877 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.379 2.584 -13.065 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.005 -1.231 -14.382 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.659 0.591 -14.483 1.00 0.00 H new ATOM 918 N GLY A 67 -0.017 1.651 -10.933 1.00 0.00 N ATOM 919 CA GLY A 67 1.042 1.790 -9.953 1.00 0.00 C ATOM 920 C GLY A 67 1.303 0.491 -9.225 1.00 0.00 C ATOM 921 O GLY A 67 1.175 -0.583 -9.808 1.00 0.00 O ATOM 0 H GLY A 67 0.273 1.223 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.955 2.120 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.773 2.563 -9.233 1.00 0.00 H new ATOM 925 N HIS A 68 1.674 0.583 -7.959 1.00 0.00 N ATOM 926 CA HIS A 68 1.848 -0.599 -7.128 1.00 0.00 C ATOM 927 C HIS A 68 1.848 -0.227 -5.657 1.00 0.00 C ATOM 928 O HIS A 68 2.877 0.172 -5.131 1.00 0.00 O ATOM 929 CB HIS A 68 3.170 -1.303 -7.450 1.00 0.00 C ATOM 930 CG HIS A 68 3.257 -2.699 -6.897 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.355 -3.509 -7.070 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.372 -3.422 -6.169 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.140 -4.672 -6.478 1.00 0.00 C ATOM 934 NE2 HIS A 68 2.944 -4.641 -5.923 1.00 0.00 N ATOM 0 H HIS A 68 1.861 1.465 -7.482 1.00 0.00 H new ATOM 0 HA HIS A 68 1.015 -1.269 -7.339 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.298 -1.341 -8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.994 -0.711 -7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.395 -3.096 -5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.827 -5.505 -6.453 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.515 -5.402 -5.396 1.00 0.00 H new ATOM 943 N VAL A 69 0.709 -0.338 -4.989 1.00 0.00 N ATOM 944 CA VAL A 69 0.701 -0.193 -3.551 1.00 0.00 C ATOM 945 C VAL A 69 0.300 -1.484 -2.869 1.00 0.00 C ATOM 946 O VAL A 69 -0.685 -2.130 -3.233 1.00 0.00 O ATOM 947 CB VAL A 69 -0.202 0.954 -3.079 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.351 2.262 -3.594 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.641 0.760 -3.535 1.00 0.00 C ATOM 0 H VAL A 69 -0.200 -0.524 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 69 1.723 0.055 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.213 0.965 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.286 3.082 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.360 2.407 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.378 2.242 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.250 1.592 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.676 0.722 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.029 -0.173 -3.127 1.00 0.00 H new ATOM 959 N ALA A 70 1.105 -1.857 -1.901 1.00 0.00 N ATOM 960 CA ALA A 70 0.900 -3.067 -1.144 1.00 0.00 C ATOM 961 C ALA A 70 1.220 -2.797 0.308 1.00 0.00 C ATOM 962 O ALA A 70 2.311 -2.342 0.629 1.00 0.00 O ATOM 963 CB ALA A 70 1.780 -4.174 -1.688 1.00 0.00 C ATOM 0 H ALA A 70 1.927 -1.324 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.139 -3.386 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.619 -5.084 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.529 -4.358 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.826 -3.877 -1.613 1.00 0.00 H new ATOM 969 N TYR A 71 0.281 -3.071 1.182 1.00 0.00 N ATOM 970 CA TYR A 71 0.451 -2.726 2.576 1.00 0.00 C ATOM 971 C TYR A 71 1.511 -3.614 3.223 1.00 0.00 C ATOM 972 O TYR A 71 1.497 -4.835 3.068 1.00 0.00 O ATOM 973 CB TYR A 71 -0.887 -2.832 3.305 1.00 0.00 C ATOM 974 CG TYR A 71 -0.752 -2.811 4.805 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.725 -1.613 5.507 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.639 -3.995 5.516 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.590 -1.598 6.881 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.504 -3.988 6.888 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.481 -2.788 7.567 1.00 0.00 C ATOM 980 OH TYR A 71 -0.354 -2.780 8.937 1.00 0.00 O ATOM 0 H TYR A 71 -0.603 -3.528 0.957 1.00 0.00 H new ATOM 0 HA TYR A 71 0.798 -1.695 2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.529 -2.008 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.384 -3.754 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.811 -0.680 4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.657 -4.937 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.570 -0.659 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.417 -4.919 7.429 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.290 -3.701 9.265 1.00 0.00 H new ATOM 990 N VAL A 72 2.432 -2.983 3.938 1.00 0.00 N ATOM 991 CA VAL A 72 3.553 -3.682 4.546 1.00 0.00 C ATOM 992 C VAL A 72 3.181 -4.172 5.938 1.00 0.00 C ATOM 993 O VAL A 72 2.907 -3.373 6.839 1.00 0.00 O ATOM 994 CB VAL A 72 4.800 -2.779 4.647 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.016 -3.588 5.078 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.058 -2.064 3.330 1.00 0.00 C ATOM 0 H VAL A 72 2.423 -1.978 4.112 1.00 0.00 H new ATOM 0 HA VAL A 72 3.789 -4.531 3.905 1.00 0.00 H new ATOM 0 HB VAL A 72 4.612 -2.021 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.885 -2.933 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.827 -4.038 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.208 -4.373 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.942 -1.433 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.220 -2.800 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.197 -1.446 3.077 1.00 0.00 H new ATOM 1006 N GLU A 73 3.177 -5.482 6.109 1.00 0.00 N ATOM 1007 CA GLU A 73 2.797 -6.081 7.376 1.00 0.00 C ATOM 1008 C GLU A 73 3.977 -6.109 8.343 1.00 0.00 C ATOM 1009 O GLU A 73 3.788 -6.035 9.558 1.00 0.00 O ATOM 1010 CB GLU A 73 2.255 -7.492 7.148 1.00 0.00 C ATOM 1011 CG GLU A 73 0.888 -7.520 6.476 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.258 -7.320 7.450 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.093 -6.568 8.435 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.335 -7.914 7.231 1.00 0.00 O ATOM 0 H GLU A 73 3.433 -6.153 5.385 1.00 0.00 H new ATOM 0 HA GLU A 73 2.012 -5.471 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.963 -8.049 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.190 -8.006 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.849 -6.742 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.760 -8.474 5.965 1.00 0.00 H new ATOM 1021 N SER A 74 5.191 -6.184 7.800 1.00 0.00 N ATOM 1022 CA SER A 74 6.390 -6.241 8.621 1.00 0.00 C ATOM 1023 C SER A 74 7.641 -6.258 7.749 1.00 0.00 C ATOM 1024 O SER A 74 7.602 -6.697 6.598 1.00 0.00 O ATOM 1025 CB SER A 74 6.367 -7.493 9.512 1.00 0.00 C ATOM 1026 OG SER A 74 7.432 -7.485 10.456 1.00 0.00 O ATOM 0 H SER A 74 5.366 -6.206 6.795 1.00 0.00 H new ATOM 0 HA SER A 74 6.412 -5.351 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.414 -7.548 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.439 -8.385 8.889 1.00 0.00 H new ATOM 0 HG SER A 74 7.387 -8.294 11.007 1.00 0.00 H new ATOM 1032 N VAL A 75 8.740 -5.760 8.294 1.00 0.00 N ATOM 1033 CA VAL A 75 10.036 -5.879 7.646 1.00 0.00 C ATOM 1034 C VAL A 75 10.873 -6.906 8.397 1.00 0.00 C ATOM 1035 O VAL A 75 10.936 -6.889 9.627 1.00 0.00 O ATOM 1036 CB VAL A 75 10.794 -4.523 7.570 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.945 -3.890 8.945 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.164 -4.703 6.922 1.00 0.00 C ATOM 0 H VAL A 75 8.760 -5.268 9.187 1.00 0.00 H new ATOM 0 HA VAL A 75 9.868 -6.202 6.618 1.00 0.00 H new ATOM 0 HB VAL A 75 10.198 -3.852 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.479 -2.944 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.959 -3.710 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.505 -4.562 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.676 -3.741 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.756 -5.403 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.040 -5.093 5.912 1.00 0.00 H new ATOM 1048 N ASN A 76 11.481 -7.816 7.660 1.00 0.00 N ATOM 1049 CA ASN A 76 12.284 -8.866 8.257 1.00 0.00 C ATOM 1050 C ASN A 76 13.607 -8.304 8.742 1.00 0.00 C ATOM 1051 O ASN A 76 14.145 -7.365 8.151 1.00 0.00 O ATOM 1052 CB ASN A 76 12.542 -9.988 7.250 1.00 0.00 C ATOM 1053 CG ASN A 76 11.284 -10.748 6.892 1.00 0.00 C ATOM 1054 OD1 ASN A 76 10.384 -10.909 7.716 1.00 0.00 O ATOM 1055 ND2 ASN A 76 11.213 -11.212 5.657 1.00 0.00 N ATOM 0 H ASN A 76 11.434 -7.849 6.642 1.00 0.00 H new ATOM 0 HA ASN A 76 11.734 -9.274 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.977 -9.566 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.275 -10.680 7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.387 -11.728 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.984 -11.054 5.008 1.00 0.00 H new ATOM 1062 N SER A 77 14.135 -8.882 9.808 1.00 0.00 N ATOM 1063 CA SER A 77 15.394 -8.431 10.376 1.00 0.00 C ATOM 1064 C SER A 77 16.556 -8.625 9.398 1.00 0.00 C ATOM 1065 O SER A 77 17.574 -7.940 9.489 1.00 0.00 O ATOM 1066 CB SER A 77 15.660 -9.165 11.692 1.00 0.00 C ATOM 1067 OG SER A 77 15.333 -10.547 11.599 1.00 0.00 O ATOM 0 H SER A 77 13.709 -9.668 10.299 1.00 0.00 H new ATOM 0 HA SER A 77 15.317 -7.362 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.710 -9.057 11.963 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.076 -8.706 12.489 1.00 0.00 H new ATOM 0 HG SER A 77 15.517 -10.985 12.456 1.00 0.00 H new ATOM 1073 N ASP A 78 16.390 -9.545 8.451 1.00 0.00 N ATOM 1074 CA ASP A 78 17.427 -9.815 7.455 1.00 0.00 C ATOM 1075 C ASP A 78 17.451 -8.744 6.366 1.00 0.00 C ATOM 1076 O ASP A 78 18.427 -8.634 5.623 1.00 0.00 O ATOM 1077 CB ASP A 78 17.237 -11.198 6.817 1.00 0.00 C ATOM 1078 CG ASP A 78 15.919 -11.343 6.081 1.00 0.00 C ATOM 1079 OD1 ASP A 78 15.798 -10.832 4.949 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.000 -11.984 6.634 1.00 0.00 O ATOM 0 H ASP A 78 15.550 -10.115 8.351 1.00 0.00 H new ATOM 0 HA ASP A 78 18.383 -9.797 7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.056 -11.386 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.297 -11.960 7.594 1.00 0.00 H new ATOM 1085 N GLY A 79 16.378 -7.967 6.261 1.00 0.00 N ATOM 1086 CA GLY A 79 16.350 -6.886 5.293 1.00 0.00 C ATOM 1087 C GLY A 79 15.152 -6.945 4.365 1.00 0.00 C ATOM 1088 O GLY A 79 14.697 -5.913 3.871 1.00 0.00 O ATOM 0 H GLY A 79 15.533 -8.065 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.345 -5.933 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.263 -6.915 4.699 1.00 0.00 H new ATOM 1092 N SER A 80 14.644 -8.148 4.123 1.00 0.00 N ATOM 1093 CA SER A 80 13.509 -8.326 3.226 1.00 0.00 C ATOM 1094 C SER A 80 12.215 -7.833 3.877 1.00 0.00 C ATOM 1095 O SER A 80 12.089 -7.828 5.097 1.00 0.00 O ATOM 1096 CB SER A 80 13.384 -9.799 2.825 1.00 0.00 C ATOM 1097 OG SER A 80 13.360 -10.639 3.968 1.00 0.00 O ATOM 0 H SER A 80 14.999 -9.012 4.534 1.00 0.00 H new ATOM 0 HA SER A 80 13.680 -7.730 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.474 -9.945 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.220 -10.077 2.183 1.00 0.00 H new ATOM 0 HG SER A 80 14.263 -10.974 4.147 1.00 0.00 H new ATOM 1103 N VAL A 81 11.262 -7.403 3.065 1.00 0.00 N ATOM 1104 CA VAL A 81 9.992 -6.907 3.581 1.00 0.00 C ATOM 1105 C VAL A 81 8.825 -7.797 3.174 1.00 0.00 C ATOM 1106 O VAL A 81 8.735 -8.251 2.029 1.00 0.00 O ATOM 1107 CB VAL A 81 9.709 -5.457 3.132 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.377 -4.471 4.069 1.00 0.00 C ATOM 1109 CG2 VAL A 81 10.187 -5.219 1.716 1.00 0.00 C ATOM 0 H VAL A 81 11.342 -7.387 2.048 1.00 0.00 H new ATOM 0 HA VAL A 81 10.085 -6.924 4.667 1.00 0.00 H new ATOM 0 HB VAL A 81 8.630 -5.306 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.167 -3.454 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.991 -4.610 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.454 -4.638 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.974 -4.189 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.261 -5.397 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.671 -5.899 1.039 1.00 0.00 H new ATOM 1119 N THR A 82 7.938 -8.036 4.127 1.00 0.00 N ATOM 1120 CA THR A 82 6.750 -8.836 3.901 1.00 0.00 C ATOM 1121 C THR A 82 5.524 -7.933 3.752 1.00 0.00 C ATOM 1122 O THR A 82 5.212 -7.133 4.642 1.00 0.00 O ATOM 1123 CB THR A 82 6.540 -9.830 5.062 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.651 -10.734 5.132 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.247 -10.618 4.887 1.00 0.00 C ATOM 0 H THR A 82 8.024 -7.679 5.079 1.00 0.00 H new ATOM 0 HA THR A 82 6.884 -9.402 2.979 1.00 0.00 H new ATOM 0 HB THR A 82 6.469 -9.260 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.515 -11.363 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.127 -11.310 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.402 -9.930 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.286 -11.179 3.953 1.00 0.00 H new ATOM 1133 N ILE A 83 4.845 -8.050 2.617 1.00 0.00 N ATOM 1134 CA ILE A 83 3.704 -7.191 2.315 1.00 0.00 C ATOM 1135 C ILE A 83 2.446 -8.007 2.040 1.00 0.00 C ATOM 1136 O ILE A 83 2.512 -9.206 1.767 1.00 0.00 O ATOM 1137 CB ILE A 83 3.976 -6.294 1.090 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.277 -7.160 -0.142 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.124 -5.336 1.377 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.344 -6.382 -1.438 1.00 0.00 C ATOM 0 H ILE A 83 5.064 -8.731 1.890 1.00 0.00 H new ATOM 0 HA ILE A 83 3.552 -6.568 3.197 1.00 0.00 H new ATOM 0 HB ILE A 83 3.086 -5.700 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.226 -7.674 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.509 -7.928 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.303 -4.710 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.867 -4.705 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.025 -5.906 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.560 -7.064 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.388 -5.889 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.132 -5.632 -1.372 1.00 0.00 H new ATOM 1152 N SER A 84 1.303 -7.341 2.117 1.00 0.00 N ATOM 1153 CA SER A 84 0.027 -7.945 1.776 1.00 0.00 C ATOM 1154 C SER A 84 -0.805 -6.982 0.927 1.00 0.00 C ATOM 1155 O SER A 84 -1.271 -5.947 1.405 1.00 0.00 O ATOM 1156 CB SER A 84 -0.730 -8.344 3.045 1.00 0.00 C ATOM 1157 OG SER A 84 0.026 -9.271 3.809 1.00 0.00 O ATOM 0 H SER A 84 1.236 -6.369 2.417 1.00 0.00 H new ATOM 0 HA SER A 84 0.211 -8.846 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.940 -7.457 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.691 -8.783 2.778 1.00 0.00 H new ATOM 0 HG SER A 84 -0.532 -9.634 4.528 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.952 -7.323 -0.341 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.733 -6.526 -1.278 1.00 0.00 C ATOM 1165 C GLU A 85 -2.935 -7.318 -1.782 1.00 0.00 C ATOM 1166 O GLU A 85 -2.789 -8.302 -2.499 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.867 -6.083 -2.460 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.079 -7.220 -3.089 1.00 0.00 C ATOM 1169 CD GLU A 85 0.693 -6.802 -4.320 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.797 -6.241 -4.177 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.220 -7.067 -5.442 1.00 0.00 O ATOM 0 H GLU A 85 -0.535 -8.158 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.091 -5.640 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.505 -5.629 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.173 -5.312 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.616 -7.623 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.764 -8.025 -3.354 1.00 0.00 H new ATOM 1178 N MET A 86 -4.123 -6.897 -1.396 1.00 0.00 N ATOM 1179 CA MET A 86 -5.331 -7.572 -1.829 1.00 0.00 C ATOM 1180 C MET A 86 -5.665 -7.202 -3.271 1.00 0.00 C ATOM 1181 O MET A 86 -5.954 -6.041 -3.571 1.00 0.00 O ATOM 1182 CB MET A 86 -6.500 -7.234 -0.902 1.00 0.00 C ATOM 1183 CG MET A 86 -7.790 -7.933 -1.283 1.00 0.00 C ATOM 1184 SD MET A 86 -9.079 -7.763 -0.035 1.00 0.00 S ATOM 1185 CE MET A 86 -8.384 -8.731 1.304 1.00 0.00 C ATOM 0 H MET A 86 -4.278 -6.094 -0.786 1.00 0.00 H new ATOM 0 HA MET A 86 -5.157 -8.647 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.235 -7.507 0.119 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.662 -6.156 -0.912 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.151 -7.527 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.588 -8.992 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.973 -9.638 1.441 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.355 -8.999 1.063 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.401 -8.145 2.223 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.578 -8.197 -4.155 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.913 -8.055 -5.575 1.00 0.00 C ATOM 1197 C ASN A 87 -4.840 -7.299 -6.342 1.00 0.00 C ATOM 1198 O ASN A 87 -4.280 -7.834 -7.301 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.282 -7.385 -5.760 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.549 -6.930 -7.191 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -8.002 -7.700 -8.034 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.301 -5.660 -7.463 1.00 0.00 N ATOM 0 H ASN A 87 -5.269 -9.136 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.964 -9.062 -5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.063 -8.083 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.349 -6.524 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.486 -5.293 -8.396 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.925 -5.048 -6.739 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.544 -6.075 -5.906 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.663 -5.171 -6.647 1.00 0.00 C ATOM 1211 C TYR A 88 -4.297 -4.805 -7.989 1.00 0.00 C ATOM 1212 O TYR A 88 -4.891 -3.740 -8.126 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.264 -5.778 -6.839 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.413 -5.057 -7.869 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.217 -3.682 -7.806 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.820 -5.759 -8.916 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.456 -3.028 -8.757 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.055 -5.111 -9.865 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.120 -3.747 -9.784 1.00 0.00 C ATOM 1220 OH TYR A 88 0.873 -3.100 -10.735 1.00 0.00 O ATOM 0 H TYR A 88 -4.905 -5.684 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.538 -4.260 -6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.742 -5.771 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.370 -6.821 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.666 -3.117 -7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.961 -6.827 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.313 -1.959 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.404 -5.670 -10.667 1.00 0.00 H new ATOM 0 HH TYR A 88 0.809 -2.132 -10.600 1.00 0.00 H new ATOM 1230 N SER A 89 -4.181 -5.706 -8.956 1.00 0.00 N ATOM 1231 CA SER A 89 -4.792 -5.550 -10.266 1.00 0.00 C ATOM 1232 C SER A 89 -4.825 -6.904 -10.968 1.00 0.00 C ATOM 1233 O SER A 89 -3.893 -7.256 -11.693 1.00 0.00 O ATOM 1234 CB SER A 89 -4.019 -4.539 -11.128 1.00 0.00 C ATOM 1235 OG SER A 89 -4.015 -3.245 -10.545 1.00 0.00 O ATOM 0 H SER A 89 -3.655 -6.573 -8.850 1.00 0.00 H new ATOM 0 HA SER A 89 -5.805 -5.171 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.993 -4.882 -11.259 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.467 -4.489 -12.120 1.00 0.00 H new ATOM 0 HG SER A 89 -4.645 -3.222 -9.795 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.866 -7.685 -10.713 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.967 -8.990 -11.336 1.00 0.00 C ATOM 1243 C GLY A 90 -6.983 -9.889 -10.667 1.00 0.00 C ATOM 1244 O GLY A 90 -8.110 -10.023 -11.147 1.00 0.00 O ATOM 0 H GLY A 90 -6.637 -7.441 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.236 -8.866 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.991 -9.474 -11.312 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.590 -10.506 -9.561 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.474 -11.427 -8.874 1.00 0.00 C ATOM 1250 C GLY A 91 -8.188 -10.775 -7.710 1.00 0.00 C ATOM 1251 O GLY A 91 -7.550 -10.404 -6.725 1.00 0.00 O ATOM 0 H GLY A 91 -5.675 -10.385 -9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.210 -11.815 -9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.898 -12.279 -8.513 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.520 -10.614 -7.798 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.319 -9.975 -6.748 1.00 0.00 C ATOM 1257 C PRO A 92 -10.132 -10.636 -5.386 1.00 0.00 C ATOM 1258 O PRO A 92 -10.370 -11.833 -5.227 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.760 -10.148 -7.234 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.642 -10.301 -8.707 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.352 -11.038 -8.937 1.00 0.00 C ATOM 0 HA PRO A 92 -10.029 -8.935 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.229 -11.021 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.373 -9.285 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.488 -10.856 -9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.632 -9.330 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.501 -12.118 -8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.898 -10.769 -9.891 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.667 -9.840 -4.426 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.470 -10.276 -3.044 1.00 0.00 C ATOM 1271 C PHE A 93 -8.321 -11.264 -2.903 1.00 0.00 C ATOM 1272 O PHE A 93 -8.144 -11.859 -1.839 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.736 -10.882 -2.438 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.823 -9.881 -2.160 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.593 -9.361 -3.190 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.074 -9.460 -0.865 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.591 -8.441 -2.931 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.071 -8.540 -0.600 1.00 0.00 C ATOM 1279 CZ PHE A 93 -13.830 -8.030 -1.635 1.00 0.00 C ATOM 0 H PHE A 93 -9.414 -8.865 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.218 -9.371 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.122 -11.643 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.475 -11.387 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.410 -9.679 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.483 -9.855 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.184 -8.044 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.256 -8.220 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.609 -7.311 -1.431 1.00 0.00 H new ATOM 1289 N SER A 94 -7.535 -11.444 -3.956 1.00 0.00 N ATOM 1290 CA SER A 94 -6.311 -12.215 -3.835 1.00 0.00 C ATOM 1291 C SER A 94 -5.325 -11.434 -2.996 1.00 0.00 C ATOM 1292 O SER A 94 -4.570 -10.621 -3.522 1.00 0.00 O ATOM 1293 CB SER A 94 -5.686 -12.522 -5.197 1.00 0.00 C ATOM 1294 OG SER A 94 -6.528 -13.359 -5.978 1.00 0.00 O ATOM 0 H SER A 94 -7.721 -11.073 -4.888 1.00 0.00 H new ATOM 0 HA SER A 94 -6.556 -13.167 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.500 -11.591 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.720 -13.007 -5.055 1.00 0.00 H new ATOM 0 HG SER A 94 -6.102 -13.536 -6.843 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.390 -11.619 -1.687 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.446 -10.973 -0.799 1.00 0.00 C ATOM 1302 C VAL A 95 -3.038 -11.517 -1.077 1.00 0.00 C ATOM 1303 O VAL A 95 -2.618 -12.541 -0.535 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.844 -11.127 0.691 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.118 -12.580 1.049 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.781 -10.531 1.607 1.00 0.00 C ATOM 0 H VAL A 95 -6.082 -12.207 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.456 -9.901 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.770 -10.571 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.394 -12.650 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.934 -12.959 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.222 -13.174 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.086 -10.653 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.832 -11.043 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.663 -9.470 1.386 1.00 0.00 H new ATOM 1316 N SER A 96 -2.341 -10.840 -1.974 1.00 0.00 N ATOM 1317 CA SER A 96 -1.069 -11.305 -2.486 1.00 0.00 C ATOM 1318 C SER A 96 0.040 -11.067 -1.478 1.00 0.00 C ATOM 1319 O SER A 96 0.274 -9.940 -1.030 1.00 0.00 O ATOM 1320 CB SER A 96 -0.757 -10.605 -3.814 1.00 0.00 C ATOM 1321 OG SER A 96 0.455 -11.078 -4.383 1.00 0.00 O ATOM 0 H SER A 96 -2.645 -9.949 -2.367 1.00 0.00 H new ATOM 0 HA SER A 96 -1.133 -12.379 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.576 -10.769 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.688 -9.529 -3.651 1.00 0.00 H new ATOM 0 HG SER A 96 0.623 -10.612 -5.229 1.00 0.00 H new ATOM 1327 N SER A 97 0.695 -12.145 -1.103 1.00 0.00 N ATOM 1328 CA SER A 97 1.830 -12.071 -0.196 1.00 0.00 C ATOM 1329 C SER A 97 3.150 -12.081 -0.968 1.00 0.00 C ATOM 1330 O SER A 97 3.491 -13.067 -1.622 1.00 0.00 O ATOM 1331 CB SER A 97 1.797 -13.232 0.797 1.00 0.00 C ATOM 1332 OG SER A 97 0.631 -13.185 1.604 1.00 0.00 O ATOM 0 H SER A 97 0.463 -13.089 -1.412 1.00 0.00 H new ATOM 0 HA SER A 97 1.759 -11.132 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.830 -14.178 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.683 -13.197 1.431 1.00 0.00 H new ATOM 0 HG SER A 97 0.635 -13.940 2.229 1.00 0.00 H new ATOM 1338 N ARG A 98 3.891 -10.982 -0.887 1.00 0.00 N ATOM 1339 CA ARG A 98 5.185 -10.879 -1.558 1.00 0.00 C ATOM 1340 C ARG A 98 6.289 -10.624 -0.542 1.00 0.00 C ATOM 1341 O ARG A 98 6.019 -10.229 0.592 1.00 0.00 O ATOM 1342 CB ARG A 98 5.206 -9.746 -2.588 1.00 0.00 C ATOM 1343 CG ARG A 98 4.058 -9.760 -3.578 1.00 0.00 C ATOM 1344 CD ARG A 98 4.286 -8.733 -4.676 1.00 0.00 C ATOM 1345 NE ARG A 98 3.062 -8.418 -5.403 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.886 -8.621 -6.706 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.853 -9.167 -7.431 1.00 0.00 N ATOM 1348 NH2 ARG A 98 1.745 -8.266 -7.281 1.00 0.00 N ATOM 0 H ARG A 98 3.620 -10.149 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 98 5.351 -11.826 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.198 -8.793 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.144 -9.795 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.961 -10.753 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.122 -9.546 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.691 -7.821 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.033 -9.111 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 98 2.287 -8.014 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.734 -9.432 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.716 -9.322 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.005 -7.838 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.608 -8.421 -8.280 1.00 0.00 H new ATOM 1362 N THR A 99 7.527 -10.839 -0.959 1.00 0.00 N ATOM 1363 CA THR A 99 8.674 -10.564 -0.118 1.00 0.00 C ATOM 1364 C THR A 99 9.702 -9.767 -0.911 1.00 0.00 C ATOM 1365 O THR A 99 10.345 -10.293 -1.818 1.00 0.00 O ATOM 1366 CB THR A 99 9.321 -11.861 0.404 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.320 -12.716 0.977 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.378 -11.546 1.451 1.00 0.00 C ATOM 0 H THR A 99 7.760 -11.206 -1.882 1.00 0.00 H new ATOM 0 HA THR A 99 8.332 -9.990 0.743 1.00 0.00 H new ATOM 0 HB THR A 99 9.794 -12.370 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.741 -13.538 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.824 -12.474 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.152 -10.918 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.917 -11.020 2.287 1.00 0.00 H new ATOM 1376 N ILE A 100 9.840 -8.495 -0.581 1.00 0.00 N ATOM 1377 CA ILE A 100 10.727 -7.617 -1.323 1.00 0.00 C ATOM 1378 C ILE A 100 12.113 -7.646 -0.703 1.00 0.00 C ATOM 1379 O ILE A 100 12.258 -7.460 0.501 1.00 0.00 O ATOM 1380 CB ILE A 100 10.250 -6.140 -1.345 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.831 -5.975 -1.898 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.205 -5.296 -2.163 1.00 0.00 C ATOM 1383 CD1 ILE A 100 7.735 -6.389 -0.946 1.00 0.00 C ATOM 0 H ILE A 100 9.350 -8.048 0.194 1.00 0.00 H new ATOM 0 HA ILE A 100 10.733 -7.988 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 100 10.236 -5.805 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.681 -4.931 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.741 -6.561 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.861 -4.262 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.201 -5.343 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.242 -5.675 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.765 -6.238 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.854 -7.442 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.793 -5.786 -0.040 1.00 0.00 H new ATOM 1395 N SER A 101 13.122 -7.900 -1.515 1.00 0.00 N ATOM 1396 CA SER A 101 14.499 -7.782 -1.064 1.00 0.00 C ATOM 1397 C SER A 101 14.838 -6.305 -0.861 1.00 0.00 C ATOM 1398 O SER A 101 14.303 -5.448 -1.568 1.00 0.00 O ATOM 1399 CB SER A 101 15.445 -8.420 -2.089 1.00 0.00 C ATOM 1400 OG SER A 101 16.795 -8.376 -1.658 1.00 0.00 O ATOM 0 H SER A 101 13.016 -8.189 -2.488 1.00 0.00 H new ATOM 0 HA SER A 101 14.621 -8.307 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.151 -9.456 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.351 -7.901 -3.043 1.00 0.00 H new ATOM 0 HG SER A 101 17.368 -8.793 -2.335 1.00 0.00 H new ATOM 1406 N ALA A 102 15.709 -6.013 0.107 1.00 0.00 N ATOM 1407 CA ALA A 102 16.122 -4.640 0.413 1.00 0.00 C ATOM 1408 C ALA A 102 16.516 -3.861 -0.846 1.00 0.00 C ATOM 1409 O ALA A 102 16.332 -2.643 -0.916 1.00 0.00 O ATOM 1410 CB ALA A 102 17.277 -4.651 1.406 1.00 0.00 C ATOM 0 H ALA A 102 16.147 -6.718 0.700 1.00 0.00 H new ATOM 0 HA ALA A 102 15.265 -4.132 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.577 -3.627 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.961 -5.143 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.121 -5.191 0.977 1.00 0.00 H new ATOM 1416 N SER A 103 17.045 -4.577 -1.835 1.00 0.00 N ATOM 1417 CA SER A 103 17.406 -3.986 -3.118 1.00 0.00 C ATOM 1418 C SER A 103 16.213 -3.255 -3.741 1.00 0.00 C ATOM 1419 O SER A 103 16.275 -2.052 -3.997 1.00 0.00 O ATOM 1420 CB SER A 103 17.923 -5.079 -4.060 1.00 0.00 C ATOM 1421 OG SER A 103 18.112 -4.591 -5.379 1.00 0.00 O ATOM 0 H SER A 103 17.234 -5.577 -1.769 1.00 0.00 H new ATOM 0 HA SER A 103 18.195 -3.252 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.866 -5.471 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.216 -5.909 -4.077 1.00 0.00 H new ATOM 0 HG SER A 103 17.309 -4.768 -5.912 1.00 0.00 H new ATOM 1427 N GLU A 104 15.119 -3.978 -3.957 1.00 0.00 N ATOM 1428 CA GLU A 104 13.921 -3.390 -4.547 1.00 0.00 C ATOM 1429 C GLU A 104 13.146 -2.596 -3.506 1.00 0.00 C ATOM 1430 O GLU A 104 12.325 -1.748 -3.847 1.00 0.00 O ATOM 1431 CB GLU A 104 13.012 -4.461 -5.164 1.00 0.00 C ATOM 1432 CG GLU A 104 13.533 -5.058 -6.466 1.00 0.00 C ATOM 1433 CD GLU A 104 14.759 -5.928 -6.281 1.00 0.00 C ATOM 1434 OE1 GLU A 104 14.599 -7.109 -5.904 1.00 0.00 O ATOM 1435 OE2 GLU A 104 15.886 -5.440 -6.510 1.00 0.00 O ATOM 0 H GLU A 104 15.037 -4.970 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 104 14.246 -2.719 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.875 -5.264 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.030 -4.025 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.743 -5.650 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.771 -4.250 -7.158 1.00 0.00 H new ATOM 1442 N ALA A 105 13.410 -2.876 -2.235 1.00 0.00 N ATOM 1443 CA ALA A 105 12.759 -2.162 -1.145 1.00 0.00 C ATOM 1444 C ALA A 105 13.125 -0.686 -1.184 1.00 0.00 C ATOM 1445 O ALA A 105 12.303 0.172 -0.873 1.00 0.00 O ATOM 1446 CB ALA A 105 13.136 -2.774 0.195 1.00 0.00 C ATOM 0 H ALA A 105 14.071 -3.593 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 105 11.680 -2.252 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.640 -2.227 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.823 -3.818 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.216 -2.716 0.330 1.00 0.00 H new ATOM 1452 N GLY A 106 14.362 -0.402 -1.582 1.00 0.00 N ATOM 1453 CA GLY A 106 14.796 0.974 -1.748 1.00 0.00 C ATOM 1454 C GLY A 106 14.088 1.674 -2.898 1.00 0.00 C ATOM 1455 O GLY A 106 14.041 2.905 -2.946 1.00 0.00 O ATOM 0 H GLY A 106 15.073 -1.102 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.613 1.523 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.872 0.994 -1.922 1.00 0.00 H new ATOM 1459 N ASN A 107 13.542 0.889 -3.823 1.00 0.00 N ATOM 1460 CA ASN A 107 12.812 1.426 -4.973 1.00 0.00 C ATOM 1461 C ASN A 107 11.425 1.893 -4.562 1.00 0.00 C ATOM 1462 O ASN A 107 10.934 2.919 -5.027 1.00 0.00 O ATOM 1463 CB ASN A 107 12.695 0.359 -6.074 1.00 0.00 C ATOM 1464 CG ASN A 107 11.768 0.762 -7.213 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.190 1.414 -8.168 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.502 0.352 -7.139 1.00 0.00 N ATOM 0 H ASN A 107 13.591 -0.130 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 107 13.368 2.281 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.687 0.155 -6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.333 -0.569 -5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.848 0.577 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.187 -0.187 -6.332 1.00 0.00 H new ATOM 1473 N TYR A 108 10.808 1.138 -3.669 1.00 0.00 N ATOM 1474 CA TYR A 108 9.434 1.388 -3.274 1.00 0.00 C ATOM 1475 C TYR A 108 9.332 2.533 -2.278 1.00 0.00 C ATOM 1476 O TYR A 108 10.085 2.589 -1.308 1.00 0.00 O ATOM 1477 CB TYR A 108 8.827 0.135 -2.659 1.00 0.00 C ATOM 1478 CG TYR A 108 8.711 -1.032 -3.611 1.00 0.00 C ATOM 1479 CD1 TYR A 108 7.907 -0.949 -4.736 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.385 -2.223 -3.372 1.00 0.00 C ATOM 1481 CE1 TYR A 108 7.775 -2.020 -5.599 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.260 -3.297 -4.231 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.455 -3.190 -5.342 1.00 0.00 C ATOM 1484 OH TYR A 108 8.322 -4.261 -6.193 1.00 0.00 O ATOM 0 H TYR A 108 11.241 0.342 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 108 8.884 1.665 -4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.434 -0.167 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.835 0.376 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.375 -0.032 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.017 -2.310 -2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.142 -1.940 -6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.791 -4.216 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 108 8.869 -5.007 -5.868 1.00 0.00 H new ATOM 1494 N ASN A 109 8.388 3.430 -2.519 1.00 0.00 N ATOM 1495 CA ASN A 109 8.116 4.524 -1.596 1.00 0.00 C ATOM 1496 C ASN A 109 7.127 4.052 -0.545 1.00 0.00 C ATOM 1497 O ASN A 109 6.529 2.986 -0.682 1.00 0.00 O ATOM 1498 CB ASN A 109 7.551 5.757 -2.328 1.00 0.00 C ATOM 1499 CG ASN A 109 8.467 6.273 -3.422 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.378 7.062 -3.164 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.208 5.862 -4.653 1.00 0.00 N ATOM 0 H ASN A 109 7.795 3.422 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 109 9.054 4.819 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.584 5.503 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.376 6.553 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.773 6.199 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.444 5.208 -4.822 1.00 0.00 H new ATOM 1508 N TYR A 110 6.968 4.829 0.508 1.00 0.00 N ATOM 1509 CA TYR A 110 5.995 4.515 1.538 1.00 0.00 C ATOM 1510 C TYR A 110 5.563 5.802 2.217 1.00 0.00 C ATOM 1511 O TYR A 110 6.389 6.683 2.471 1.00 0.00 O ATOM 1512 CB TYR A 110 6.564 3.488 2.540 1.00 0.00 C ATOM 1513 CG TYR A 110 7.508 4.026 3.598 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.555 4.880 3.282 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.346 3.656 4.924 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.408 5.349 4.261 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.195 4.120 5.906 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.223 4.966 5.570 1.00 0.00 C ATOM 1519 OH TYR A 110 10.066 5.440 6.548 1.00 0.00 O ATOM 0 H TYR A 110 7.500 5.683 0.674 1.00 0.00 H new ATOM 0 HA TYR A 110 5.117 4.051 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.728 3.003 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.088 2.716 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.705 5.182 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.539 2.991 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.218 6.014 4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.052 3.820 6.934 1.00 0.00 H new ATOM 0 HH TYR A 110 9.581 6.069 7.121 1.00 0.00 H new ATOM 1529 N ILE A 111 4.277 5.937 2.476 1.00 0.00 N ATOM 1530 CA ILE A 111 3.758 7.187 2.982 1.00 0.00 C ATOM 1531 C ILE A 111 3.293 7.043 4.423 1.00 0.00 C ATOM 1532 O ILE A 111 2.335 6.331 4.721 1.00 0.00 O ATOM 1533 CB ILE A 111 2.617 7.724 2.088 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.509 6.681 1.933 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.170 8.112 0.721 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.291 7.176 1.167 1.00 0.00 C ATOM 0 H ILE A 111 3.581 5.203 2.345 1.00 0.00 H new ATOM 0 HA ILE A 111 4.570 7.913 2.960 1.00 0.00 H new ATOM 0 HB ILE A 111 2.189 8.605 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.916 5.808 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.193 6.353 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.361 8.490 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.928 8.886 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.617 7.238 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.447 6.377 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.144 8.030 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.590 7.477 0.163 1.00 0.00 H new ATOM 1548 N HIS A 112 4.008 7.687 5.325 1.00 0.00 N ATOM 1549 CA HIS A 112 3.629 7.693 6.724 1.00 0.00 C ATOM 1550 C HIS A 112 3.565 9.125 7.228 1.00 0.00 C ATOM 1551 O HIS A 112 4.312 9.976 6.756 1.00 0.00 O ATOM 1552 CB HIS A 112 4.600 6.851 7.565 1.00 0.00 C ATOM 1553 CG HIS A 112 6.025 7.323 7.545 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.602 7.991 8.597 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.994 7.194 6.605 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.861 8.252 8.312 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.129 7.779 7.109 1.00 0.00 N ATOM 0 H HIS A 112 4.856 8.213 5.113 1.00 0.00 H new ATOM 0 HA HIS A 112 2.642 7.241 6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.250 6.842 8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.568 5.822 7.208 1.00 0.00 H new ATOM 0 HD1 HIS A 112 6.129 8.245 9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.892 6.720 5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.558 8.767 8.956 1.00 0.00 H new ATOM 1566 N ILE A 113 2.656 9.381 8.154 1.00 0.00 N ATOM 1567 CA ILE A 113 2.444 10.707 8.693 1.00 0.00 C ATOM 1568 C ILE A 113 3.691 11.226 9.415 1.00 0.00 C ATOM 1569 O ILE A 113 3.893 10.878 10.593 1.00 0.00 O ATOM 1570 CB ILE A 113 1.230 10.699 9.649 1.00 0.00 C ATOM 1571 CG1 ILE A 113 1.221 9.415 10.496 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.068 10.842 8.861 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.008 9.275 11.394 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.474 11.977 8.792 1.00 0.00 O ATOM 0 H ILE A 113 2.043 8.669 8.552 1.00 0.00 H new ATOM 0 HA ILE A 113 2.241 11.382 7.862 1.00 0.00 H new ATOM 0 HB ILE A 113 1.312 11.550 10.325 1.00 0.00 H new ATOM 0 HG12 ILE A 113 1.268 8.553 9.830 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.120 9.392 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.914 10.835 9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.057 11.782 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.162 10.012 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.078 8.344 11.957 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.031 10.116 12.086 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.896 9.264 10.785 1.00 0.00 H new