USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 38 ASN : amide:sc= -0.306 X(o=-0.24,f=-0.0052) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.0616 X(o=-0.24,f=-0.009) USER MOD Set 2.1: A 8 THR OG1 : rot 113:sc= 0.506 USER MOD Set 2.2: A 73 ASN : amide:sc= 0.0316 K(o=1.5,f=-2.8!) USER MOD Set 2.3: A 92 THR OG1 : rot 115:sc= 0.975 USER MOD Single : A 6 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.0039) USER MOD Single : A 10 GLN : amide:sc= -8.32! C(o=-8.3!,f=-10!) USER MOD Single : A 15 CYS SG : rot 122:sc= -1.73 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-4.49e-05 K(o=-4.5e-05,f=-1) USER MOD Single : A 35 THR OG1 : rot 26:sc= 0.108 USER MOD Single : A 36 ASN : amide:sc= -0.844 K(o=-0.84,f=-5.3!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.734 (180deg=-2.21!) USER MOD Single : A 46 THR OG1 : rot -145:sc= -1.23 USER MOD Single : A 47 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.052) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.342 (180deg=-1.12) USER MOD Single : A 59 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.8!) USER MOD Single : A 60 THR OG1 : rot -43:sc= 0.934 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0982 USER MOD Single : A 83 MET CE :methyl 140:sc= -1.18 (180deg=-3.52!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.0824 X(o=0.082,f=0) USER MOD Single : A 97 SER OG : rot 170:sc= 0.116 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.505 14.038 -4.528 1.00 0.00 N ATOM 78 CA HIS A 6 -5.121 12.709 -4.472 1.00 0.00 C ATOM 79 C HIS A 6 -4.065 11.605 -4.533 1.00 0.00 C ATOM 80 O HIS A 6 -3.106 11.693 -5.305 1.00 0.00 O ATOM 81 CB HIS A 6 -6.125 12.530 -5.620 1.00 0.00 C ATOM 82 CG HIS A 6 -5.578 12.888 -6.970 1.00 0.00 C ATOM 83 ND1 HIS A 6 -5.230 11.946 -7.915 1.00 0.00 N ATOM 84 CD2 HIS A 6 -5.317 14.093 -7.529 1.00 0.00 C ATOM 85 CE1 HIS A 6 -4.777 12.557 -8.997 1.00 0.00 C ATOM 86 NE2 HIS A 6 -4.819 13.860 -8.787 1.00 0.00 N ATOM 0 HA HIS A 6 -5.648 12.631 -3.521 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.459 11.493 -5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.003 13.144 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.472 15.058 -7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.432 12.073 -9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.529 14.577 -9.452 1.00 0.00 H new ATOM 95 N ILE A 7 -4.248 10.565 -3.718 1.00 0.00 N ATOM 96 CA ILE A 7 -3.312 9.442 -3.680 1.00 0.00 C ATOM 97 C ILE A 7 -3.896 8.214 -4.378 1.00 0.00 C ATOM 98 O ILE A 7 -5.074 7.896 -4.212 1.00 0.00 O ATOM 99 CB ILE A 7 -2.926 9.084 -2.227 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.443 10.337 -1.488 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.850 8.003 -2.206 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.983 10.072 -0.070 1.00 0.00 C ATOM 0 H ILE A 7 -5.036 10.478 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.413 9.753 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.808 8.694 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.622 10.784 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.250 11.069 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.593 7.766 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.224 7.107 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.963 8.362 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.656 11.006 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.807 9.654 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.154 9.365 -0.083 1.00 0.00 H new ATOM 114 N THR A 8 -3.062 7.531 -5.164 1.00 0.00 N ATOM 115 CA THR A 8 -3.492 6.341 -5.898 1.00 0.00 C ATOM 116 C THR A 8 -3.219 5.067 -5.102 1.00 0.00 C ATOM 117 O THR A 8 -2.064 4.684 -4.902 1.00 0.00 O ATOM 118 CB THR A 8 -2.780 6.257 -7.254 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.474 7.549 -7.754 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.587 5.529 -8.311 1.00 0.00 C ATOM 0 H THR A 8 -2.084 7.782 -5.308 1.00 0.00 H new ATOM 0 HA THR A 8 -4.567 6.428 -6.058 1.00 0.00 H new ATOM 0 HB THR A 8 -1.869 5.691 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.502 7.674 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.026 5.506 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.784 4.509 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.532 6.048 -8.469 1.00 0.00 H new ATOM 128 N VAL A 9 -4.288 4.401 -4.670 1.00 0.00 N ATOM 129 CA VAL A 9 -4.165 3.156 -3.915 1.00 0.00 C ATOM 130 C VAL A 9 -5.137 2.101 -4.451 1.00 0.00 C ATOM 131 O VAL A 9 -6.352 2.213 -4.276 1.00 0.00 O ATOM 132 CB VAL A 9 -4.401 3.376 -2.401 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.785 3.955 -2.136 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.195 2.076 -1.633 1.00 0.00 C ATOM 0 H VAL A 9 -5.249 4.703 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.144 2.798 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.669 4.102 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.920 4.098 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.882 4.914 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.544 3.268 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.365 2.250 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.897 1.325 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.175 1.722 -1.784 1.00 0.00 H new ATOM 144 N GLN A 10 -4.593 1.083 -5.118 1.00 0.00 N ATOM 145 CA GLN A 10 -5.415 0.019 -5.694 1.00 0.00 C ATOM 146 C GLN A 10 -4.764 -1.352 -5.513 1.00 0.00 C ATOM 147 O GLN A 10 -3.566 -1.454 -5.240 1.00 0.00 O ATOM 148 CB GLN A 10 -5.671 0.285 -7.184 1.00 0.00 C ATOM 149 CG GLN A 10 -4.463 0.821 -7.943 1.00 0.00 C ATOM 150 CD GLN A 10 -4.199 2.285 -7.666 1.00 0.00 C ATOM 151 OE1 GLN A 10 -5.063 3.134 -7.881 1.00 0.00 O ATOM 152 NE2 GLN A 10 -2.999 2.584 -7.177 1.00 0.00 N ATOM 0 H GLN A 10 -3.591 0.973 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.367 0.015 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.999 -0.641 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.490 0.998 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.582 0.240 -7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.620 0.681 -9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.315 1.844 -7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.762 3.553 -6.963 1.00 0.00 H new ATOM 161 N PHE A 11 -5.571 -2.404 -5.667 1.00 0.00 N ATOM 162 CA PHE A 11 -5.092 -3.778 -5.519 1.00 0.00 C ATOM 163 C PHE A 11 -5.204 -4.546 -6.836 1.00 0.00 C ATOM 164 O PHE A 11 -6.103 -4.291 -7.640 1.00 0.00 O ATOM 165 CB PHE A 11 -5.885 -4.498 -4.426 1.00 0.00 C ATOM 166 CG PHE A 11 -5.922 -3.752 -3.120 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.748 -3.413 -2.465 1.00 0.00 C ATOM 168 CD2 PHE A 11 -7.132 -3.385 -2.552 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.781 -2.725 -1.267 1.00 0.00 C ATOM 170 CE2 PHE A 11 -7.169 -2.696 -1.354 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.992 -2.364 -0.713 1.00 0.00 C ATOM 0 H PHE A 11 -6.562 -2.329 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.040 -3.740 -5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.906 -4.656 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.448 -5.483 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.797 -3.690 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.056 -3.640 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.860 -2.470 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.118 -2.418 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.019 -1.822 0.221 1.00 0.00 H new ATOM 181 N ALA A 12 -4.283 -5.485 -7.047 1.00 0.00 N ATOM 182 CA ALA A 12 -4.268 -6.297 -8.265 1.00 0.00 C ATOM 183 C ALA A 12 -4.033 -7.771 -7.946 1.00 0.00 C ATOM 184 O ALA A 12 -3.271 -8.107 -7.037 1.00 0.00 O ATOM 185 CB ALA A 12 -3.203 -5.787 -9.225 1.00 0.00 C ATOM 0 H ALA A 12 -3.535 -5.703 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.245 -6.209 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.202 -6.400 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.418 -4.752 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.225 -5.844 -8.747 1.00 0.00 H new ATOM 191 N GLY A 13 -4.694 -8.647 -8.704 1.00 0.00 N ATOM 192 CA GLY A 13 -4.550 -10.078 -8.493 1.00 0.00 C ATOM 193 C GLY A 13 -5.359 -10.565 -7.306 1.00 0.00 C ATOM 194 O GLY A 13 -6.589 -10.609 -7.366 1.00 0.00 O ATOM 0 H GLY A 13 -5.327 -8.389 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.867 -10.610 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.498 -10.317 -8.336 1.00 0.00 H new ATOM 198 N GLY A 14 -4.669 -10.920 -6.223 1.00 0.00 N ATOM 199 CA GLY A 14 -5.346 -11.391 -5.025 1.00 0.00 C ATOM 200 C GLY A 14 -5.115 -10.481 -3.828 1.00 0.00 C ATOM 201 O GLY A 14 -5.187 -10.929 -2.682 1.00 0.00 O ATOM 0 H GLY A 14 -3.652 -10.890 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.416 -11.463 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.997 -12.396 -4.786 1.00 0.00 H new ATOM 205 N CYS A 15 -4.833 -9.202 -4.095 1.00 0.00 N ATOM 206 CA CYS A 15 -4.583 -8.227 -3.032 1.00 0.00 C ATOM 207 C CYS A 15 -5.830 -7.399 -2.706 1.00 0.00 C ATOM 208 O CYS A 15 -5.887 -6.747 -1.663 1.00 0.00 O ATOM 209 CB CYS A 15 -3.430 -7.300 -3.426 1.00 0.00 C ATOM 210 SG CYS A 15 -1.801 -8.079 -3.350 1.00 0.00 S ATOM 0 H CYS A 15 -4.772 -8.819 -5.038 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.314 -8.785 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.600 -6.936 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.436 -6.430 -2.769 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.233 -8.013 -4.518 1.00 0.00 H new ATOM 216 N GLU A 16 -6.826 -7.429 -3.595 1.00 0.00 N ATOM 217 CA GLU A 16 -8.066 -6.682 -3.382 1.00 0.00 C ATOM 218 C GLU A 16 -8.761 -7.126 -2.096 1.00 0.00 C ATOM 219 O GLU A 16 -9.397 -6.321 -1.416 1.00 0.00 O ATOM 220 CB GLU A 16 -9.007 -6.864 -4.573 1.00 0.00 C ATOM 221 CG GLU A 16 -8.639 -6.011 -5.774 1.00 0.00 C ATOM 222 CD GLU A 16 -9.611 -6.176 -6.924 1.00 0.00 C ATOM 223 OE1 GLU A 16 -9.618 -7.262 -7.544 1.00 0.00 O ATOM 224 OE2 GLU A 16 -10.366 -5.222 -7.206 1.00 0.00 O ATOM 0 H GLU A 16 -6.798 -7.960 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.810 -5.627 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.006 -7.913 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.023 -6.621 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.609 -4.963 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.636 -6.275 -6.110 1.00 0.00 H new ATOM 231 N LEU A 17 -8.625 -8.409 -1.762 1.00 0.00 N ATOM 232 CA LEU A 17 -9.232 -8.958 -0.550 1.00 0.00 C ATOM 233 C LEU A 17 -8.506 -8.487 0.717 1.00 0.00 C ATOM 234 O LEU A 17 -8.947 -8.777 1.830 1.00 0.00 O ATOM 235 CB LEU A 17 -9.230 -10.489 -0.605 1.00 0.00 C ATOM 236 CG LEU A 17 -9.851 -11.100 -1.863 1.00 0.00 C ATOM 237 CD1 LEU A 17 -9.083 -12.345 -2.280 1.00 0.00 C ATOM 238 CD2 LEU A 17 -11.321 -11.424 -1.629 1.00 0.00 C ATOM 0 H LEU A 17 -8.100 -9.087 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.258 -8.592 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.201 -10.838 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.766 -10.868 0.265 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.788 -10.372 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.536 -12.769 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.046 -12.080 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.116 -13.079 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.747 -11.858 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.411 -12.136 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.859 -10.510 -1.377 1.00 0.00 H new ATOM 250 N LEU A 18 -7.395 -7.758 0.549 1.00 0.00 N ATOM 251 CA LEU A 18 -6.624 -7.258 1.689 1.00 0.00 C ATOM 252 C LEU A 18 -7.204 -5.950 2.255 1.00 0.00 C ATOM 253 O LEU A 18 -6.536 -5.261 3.030 1.00 0.00 O ATOM 254 CB LEU A 18 -5.158 -7.044 1.292 1.00 0.00 C ATOM 255 CG LEU A 18 -4.413 -8.300 0.827 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.102 -7.920 0.153 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.159 -9.237 1.999 1.00 0.00 C ATOM 0 H LEU A 18 -7.013 -7.504 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.685 -8.015 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.120 -6.303 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.626 -6.621 2.145 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.037 -8.822 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.585 -8.823 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.307 -7.289 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.474 -7.376 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.629 -10.123 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.555 -8.726 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.110 -9.534 2.440 1.00 0.00 H new ATOM 269 N PHE A 19 -8.439 -5.604 1.873 1.00 0.00 N ATOM 270 CA PHE A 19 -9.078 -4.380 2.362 1.00 0.00 C ATOM 271 C PHE A 19 -10.593 -4.519 2.338 1.00 0.00 C ATOM 272 O PHE A 19 -11.246 -4.433 3.376 1.00 0.00 O ATOM 273 CB PHE A 19 -8.643 -3.176 1.518 1.00 0.00 C ATOM 274 CG PHE A 19 -8.927 -1.845 2.164 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.183 -1.263 2.067 1.00 0.00 C ATOM 276 CD2 PHE A 19 -7.937 -1.176 2.865 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.443 -0.040 2.657 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.193 0.046 3.457 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.446 0.615 3.354 1.00 0.00 C ATOM 0 H PHE A 19 -9.012 -6.152 1.231 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.762 -4.218 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.574 -3.252 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.151 -3.217 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.966 -1.771 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.954 -1.615 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.424 0.403 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.412 0.556 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.647 1.570 3.817 1.00 0.00 H new ATOM 289 N ALA A 20 -11.145 -4.735 1.147 1.00 0.00 N ATOM 290 CA ALA A 20 -12.587 -4.893 0.983 1.00 0.00 C ATOM 291 C ALA A 20 -12.947 -5.193 -0.472 1.00 0.00 C ATOM 292 O ALA A 20 -13.964 -4.715 -0.982 1.00 0.00 O ATOM 293 CB ALA A 20 -13.312 -3.645 1.471 1.00 0.00 C ATOM 0 H ALA A 20 -10.614 -4.805 0.279 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.908 -5.742 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.387 -3.775 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.089 -3.483 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.980 -2.782 0.894 1.00 0.00 H new ATOM 299 N LYS A 21 -12.102 -5.986 -1.139 1.00 0.00 N ATOM 300 CA LYS A 21 -12.317 -6.350 -2.539 1.00 0.00 C ATOM 301 C LYS A 21 -12.566 -5.104 -3.398 1.00 0.00 C ATOM 302 O LYS A 21 -13.351 -5.137 -4.349 1.00 0.00 O ATOM 303 CB LYS A 21 -13.488 -7.332 -2.655 1.00 0.00 C ATOM 304 CG LYS A 21 -13.372 -8.524 -1.715 1.00 0.00 C ATOM 305 CD LYS A 21 -14.154 -8.302 -0.429 1.00 0.00 C ATOM 306 CE LYS A 21 -14.314 -9.594 0.359 1.00 0.00 C ATOM 307 NZ LYS A 21 -14.711 -9.341 1.772 1.00 0.00 N ATOM 0 H LYS A 21 -11.260 -6.388 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.415 -6.837 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.418 -6.803 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.550 -7.693 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.740 -9.420 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.323 -8.700 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.642 -7.561 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.137 -7.895 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.065 -10.221 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.376 -10.149 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.809 -10.247 2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.983 -8.764 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.619 -8.834 1.792 1.00 0.00 H new ATOM 321 N GLN A 22 -11.887 -4.006 -3.051 1.00 0.00 N ATOM 322 CA GLN A 22 -12.029 -2.749 -3.780 1.00 0.00 C ATOM 323 C GLN A 22 -10.971 -2.631 -4.870 1.00 0.00 C ATOM 324 O GLN A 22 -9.873 -3.177 -4.742 1.00 0.00 O ATOM 325 CB GLN A 22 -11.921 -1.556 -2.821 1.00 0.00 C ATOM 326 CG GLN A 22 -13.263 -1.026 -2.345 1.00 0.00 C ATOM 327 CD GLN A 22 -13.739 0.170 -3.149 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.815 1.286 -2.636 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.066 -0.057 -4.417 1.00 0.00 N ATOM 0 H GLN A 22 -11.234 -3.966 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.014 -2.742 -4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.330 -1.851 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.379 -0.751 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.006 -1.821 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.186 -0.745 -1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.988 -0.998 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.395 0.710 -5.004 1.00 0.00 H new ATOM 338 N THR A 23 -11.304 -1.909 -5.938 1.00 0.00 N ATOM 339 CA THR A 23 -10.380 -1.716 -7.051 1.00 0.00 C ATOM 340 C THR A 23 -9.343 -0.642 -6.720 1.00 0.00 C ATOM 341 O THR A 23 -8.150 -0.936 -6.633 1.00 0.00 O ATOM 342 CB THR A 23 -11.140 -1.349 -8.334 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.855 -0.132 -8.174 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.129 -2.411 -8.768 1.00 0.00 C ATOM 0 H THR A 23 -12.207 -1.449 -6.055 1.00 0.00 H new ATOM 0 HA THR A 23 -9.857 -2.657 -7.218 1.00 0.00 H new ATOM 0 HB THR A 23 -10.372 -1.252 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.329 0.081 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.632 -2.089 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.600 -3.346 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.868 -2.564 -7.981 1.00 0.00 H new ATOM 352 N SER A 24 -9.800 0.598 -6.533 1.00 0.00 N ATOM 353 CA SER A 24 -8.903 1.707 -6.212 1.00 0.00 C ATOM 354 C SER A 24 -9.551 2.680 -5.224 1.00 0.00 C ATOM 355 O SER A 24 -10.767 2.657 -5.021 1.00 0.00 O ATOM 356 CB SER A 24 -8.496 2.450 -7.489 1.00 0.00 C ATOM 357 OG SER A 24 -9.585 3.174 -8.033 1.00 0.00 O ATOM 0 H SER A 24 -10.784 0.858 -6.598 1.00 0.00 H new ATOM 0 HA SER A 24 -8.013 1.289 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.676 3.134 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.127 1.736 -8.226 1.00 0.00 H new ATOM 0 HG SER A 24 -9.295 3.639 -8.846 1.00 0.00 H new ATOM 363 N LEU A 25 -8.724 3.531 -4.611 1.00 0.00 N ATOM 364 CA LEU A 25 -9.200 4.514 -3.639 1.00 0.00 C ATOM 365 C LEU A 25 -8.340 5.782 -3.670 1.00 0.00 C ATOM 366 O LEU A 25 -7.253 5.790 -4.256 1.00 0.00 O ATOM 367 CB LEU A 25 -9.181 3.912 -2.230 1.00 0.00 C ATOM 368 CG LEU A 25 -10.457 3.169 -1.824 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.115 1.905 -1.050 1.00 0.00 C ATOM 370 CD2 LEU A 25 -11.364 4.074 -1.002 1.00 0.00 C ATOM 0 H LEU A 25 -7.717 3.557 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.222 4.784 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.339 3.223 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.001 4.712 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.991 2.882 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.034 1.390 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.508 1.249 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.558 2.168 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.266 3.529 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.840 4.394 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.637 4.949 -1.592 1.00 0.00 H new ATOM 382 N GLN A 26 -8.833 6.849 -3.036 1.00 0.00 N ATOM 383 CA GLN A 26 -8.109 8.116 -2.988 1.00 0.00 C ATOM 384 C GLN A 26 -8.082 8.674 -1.566 1.00 0.00 C ATOM 385 O GLN A 26 -9.127 8.826 -0.929 1.00 0.00 O ATOM 386 CB GLN A 26 -8.751 9.134 -3.937 1.00 0.00 C ATOM 387 CG GLN A 26 -8.070 9.211 -5.297 1.00 0.00 C ATOM 388 CD GLN A 26 -8.848 10.043 -6.300 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.947 10.522 -6.015 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.280 10.218 -7.489 1.00 0.00 N ATOM 0 H GLN A 26 -9.730 6.858 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.083 7.931 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.800 8.875 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.726 10.119 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.074 9.636 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.941 8.203 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.368 9.804 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.756 10.766 -8.206 1.00 0.00 H new ATOM 399 N LEU A 27 -6.879 8.976 -1.076 1.00 0.00 N ATOM 400 CA LEU A 27 -6.706 9.515 0.269 1.00 0.00 C ATOM 401 C LEU A 27 -6.162 10.941 0.218 1.00 0.00 C ATOM 402 O LEU A 27 -5.307 11.256 -0.612 1.00 0.00 O ATOM 403 CB LEU A 27 -5.758 8.625 1.082 1.00 0.00 C ATOM 404 CG LEU A 27 -6.111 7.134 1.098 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.883 6.299 1.427 1.00 0.00 C ATOM 406 CD2 LEU A 27 -7.228 6.860 2.096 1.00 0.00 C ATOM 0 H LEU A 27 -6.009 8.855 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.682 9.533 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.750 8.738 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.738 8.988 2.110 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.462 6.853 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.152 5.243 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.113 6.472 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.502 6.583 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.465 5.796 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.906 7.158 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.114 7.430 1.816 1.00 0.00 H new ATOM 504 N THR A 35 5.171 11.794 6.509 1.00 0.00 N ATOM 505 CA THR A 35 4.675 10.426 6.402 1.00 0.00 C ATOM 506 C THR A 35 5.314 9.708 5.213 1.00 0.00 C ATOM 507 O THR A 35 5.325 10.229 4.097 1.00 0.00 O ATOM 508 CB THR A 35 3.147 10.421 6.258 1.00 0.00 C ATOM 509 OG1 THR A 35 2.534 11.115 7.332 1.00 0.00 O ATOM 510 CG2 THR A 35 2.550 9.028 6.214 1.00 0.00 C ATOM 0 HA THR A 35 4.947 9.895 7.314 1.00 0.00 H new ATOM 0 HB THR A 35 2.951 10.914 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.158 11.781 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.467 9.099 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.960 8.483 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.793 8.499 7.135 1.00 0.00 H new ATOM 518 N ASN A 36 5.840 8.511 5.464 1.00 0.00 N ATOM 519 CA ASN A 36 6.479 7.714 4.419 1.00 0.00 C ATOM 520 C ASN A 36 5.671 6.450 4.134 1.00 0.00 C ATOM 521 O ASN A 36 4.583 6.260 4.686 1.00 0.00 O ATOM 522 CB ASN A 36 7.918 7.357 4.824 1.00 0.00 C ATOM 523 CG ASN A 36 8.020 6.757 6.219 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.072 6.151 6.723 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.176 6.926 6.853 1.00 0.00 N ATOM 0 H ASN A 36 5.836 8.071 6.384 1.00 0.00 H new ATOM 0 HA ASN A 36 6.514 8.308 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.327 6.651 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.535 8.254 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.303 6.548 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.936 7.434 6.401 1.00 0.00 H new ATOM 532 N LEU A 37 6.199 5.586 3.266 1.00 0.00 N ATOM 533 CA LEU A 37 5.520 4.343 2.908 1.00 0.00 C ATOM 534 C LEU A 37 5.191 3.511 4.146 1.00 0.00 C ATOM 535 O LEU A 37 4.151 2.853 4.193 1.00 0.00 O ATOM 536 CB LEU A 37 6.374 3.519 1.944 1.00 0.00 C ATOM 537 CG LEU A 37 5.645 2.351 1.277 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.000 2.274 -0.200 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.975 1.042 1.984 1.00 0.00 C ATOM 0 H LEU A 37 7.095 5.725 2.799 1.00 0.00 H new ATOM 0 HA LEU A 37 4.585 4.612 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.759 4.179 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.235 3.129 2.487 1.00 0.00 H new ATOM 0 HG LEU A 37 4.571 2.520 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.472 1.437 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.708 3.201 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.075 2.128 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.448 0.222 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.049 0.863 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.664 1.103 3.027 1.00 0.00 H new ATOM 551 N ASN A 38 6.075 3.554 5.145 1.00 0.00 N ATOM 552 CA ASN A 38 5.867 2.814 6.389 1.00 0.00 C ATOM 553 C ASN A 38 4.538 3.214 7.022 1.00 0.00 C ATOM 554 O ASN A 38 3.823 2.377 7.574 1.00 0.00 O ATOM 555 CB ASN A 38 7.014 3.071 7.369 1.00 0.00 C ATOM 556 CG ASN A 38 7.936 1.875 7.496 1.00 0.00 C ATOM 557 OD1 ASN A 38 9.135 1.970 7.232 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.381 0.737 7.900 1.00 0.00 N ATOM 0 H ASN A 38 6.940 4.093 5.116 1.00 0.00 H new ATOM 0 HA ASN A 38 5.844 1.749 6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.587 3.936 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.605 3.318 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.953 -0.101 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.383 0.702 8.108 1.00 0.00 H new ATOM 565 N GLY A 39 4.209 4.500 6.915 1.00 0.00 N ATOM 566 CA GLY A 39 2.962 4.998 7.454 1.00 0.00 C ATOM 567 C GLY A 39 1.774 4.601 6.595 1.00 0.00 C ATOM 568 O GLY A 39 0.684 4.367 7.111 1.00 0.00 O ATOM 0 H GLY A 39 4.790 5.206 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.824 4.613 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.008 6.084 7.530 1.00 0.00 H new ATOM 572 N LEU A 40 1.991 4.513 5.277 1.00 0.00 N ATOM 573 CA LEU A 40 0.927 4.131 4.351 1.00 0.00 C ATOM 574 C LEU A 40 0.494 2.688 4.597 1.00 0.00 C ATOM 575 O LEU A 40 -0.691 2.411 4.790 1.00 0.00 O ATOM 576 CB LEU A 40 1.383 4.289 2.895 1.00 0.00 C ATOM 577 CG LEU A 40 1.769 5.708 2.472 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.253 5.715 1.026 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.592 6.660 2.653 1.00 0.00 C ATOM 0 H LEU A 40 2.890 4.701 4.833 1.00 0.00 H new ATOM 0 HA LEU A 40 0.080 4.794 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.238 3.634 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.582 3.940 2.243 1.00 0.00 H new ATOM 0 HG LEU A 40 2.584 6.052 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.524 6.731 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.123 5.066 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.458 5.353 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.886 7.664 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.245 6.324 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.292 6.673 3.701 1.00 0.00 H new ATOM 591 N VAL A 41 1.465 1.773 4.590 1.00 0.00 N ATOM 592 CA VAL A 41 1.187 0.355 4.815 1.00 0.00 C ATOM 593 C VAL A 41 0.477 0.142 6.149 1.00 0.00 C ATOM 594 O VAL A 41 -0.621 -0.407 6.190 1.00 0.00 O ATOM 595 CB VAL A 41 2.463 -0.519 4.771 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.776 -0.930 3.340 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.657 0.184 5.404 1.00 0.00 C ATOM 0 H VAL A 41 2.449 1.989 4.431 1.00 0.00 H new ATOM 0 HA VAL A 41 0.538 0.042 3.998 1.00 0.00 H new ATOM 0 HB VAL A 41 2.268 -1.415 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.676 -1.544 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.941 -1.501 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.935 -0.039 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.531 -0.465 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.860 1.111 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.435 0.410 6.447 1.00 0.00 H new ATOM 607 N GLN A 42 1.105 0.587 7.236 1.00 0.00 N ATOM 608 CA GLN A 42 0.520 0.449 8.573 1.00 0.00 C ATOM 609 C GLN A 42 -0.881 1.079 8.641 1.00 0.00 C ATOM 610 O GLN A 42 -1.709 0.669 9.456 1.00 0.00 O ATOM 611 CB GLN A 42 1.438 1.095 9.616 1.00 0.00 C ATOM 612 CG GLN A 42 1.190 0.603 11.033 1.00 0.00 C ATOM 613 CD GLN A 42 2.440 0.037 11.682 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.925 -1.027 11.299 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.971 0.750 12.671 1.00 0.00 N ATOM 0 H GLN A 42 2.016 1.045 7.220 1.00 0.00 H new ATOM 0 HA GLN A 42 0.420 -0.615 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.476 0.896 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.303 2.176 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.812 1.427 11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.415 -0.163 11.017 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.537 1.627 12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.813 0.420 13.143 1.00 0.00 H new ATOM 624 N LEU A 43 -1.138 2.072 7.786 1.00 0.00 N ATOM 625 CA LEU A 43 -2.434 2.751 7.756 1.00 0.00 C ATOM 626 C LEU A 43 -3.475 1.967 6.944 1.00 0.00 C ATOM 627 O LEU A 43 -4.676 2.135 7.153 1.00 0.00 O ATOM 628 CB LEU A 43 -2.274 4.165 7.180 1.00 0.00 C ATOM 629 CG LEU A 43 -3.539 5.028 7.183 1.00 0.00 C ATOM 630 CD1 LEU A 43 -3.717 5.720 8.526 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.488 6.051 6.057 1.00 0.00 C ATOM 0 H LEU A 43 -0.465 2.423 7.105 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.796 2.813 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.501 4.683 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.915 4.082 6.154 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.398 4.377 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.622 6.328 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.801 4.971 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.856 6.358 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.395 6.656 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.619 6.696 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.414 5.535 5.100 1.00 0.00 H new ATOM 643 N LEU A 44 -3.023 1.118 6.012 1.00 0.00 N ATOM 644 CA LEU A 44 -3.952 0.336 5.191 1.00 0.00 C ATOM 645 C LEU A 44 -4.165 -1.078 5.741 1.00 0.00 C ATOM 646 O LEU A 44 -5.278 -1.596 5.683 1.00 0.00 O ATOM 647 CB LEU A 44 -3.492 0.280 3.725 1.00 0.00 C ATOM 648 CG LEU A 44 -2.129 -0.375 3.465 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.259 -1.892 3.405 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.530 0.161 2.173 1.00 0.00 C ATOM 0 H LEU A 44 -2.036 0.957 5.811 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.912 0.851 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.246 -0.258 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.462 1.298 3.337 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.463 -0.126 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.280 -2.334 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.650 -2.261 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.940 -2.167 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.563 -0.310 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.199 -0.063 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.399 1.240 2.253 1.00 0.00 H new ATOM 662 N LYS A 45 -3.105 -1.706 6.260 1.00 0.00 N ATOM 663 CA LYS A 45 -3.219 -3.060 6.799 1.00 0.00 C ATOM 664 C LYS A 45 -3.515 -3.055 8.300 1.00 0.00 C ATOM 665 O LYS A 45 -4.539 -3.580 8.732 1.00 0.00 O ATOM 666 CB LYS A 45 -1.957 -3.884 6.500 1.00 0.00 C ATOM 667 CG LYS A 45 -0.649 -3.127 6.652 1.00 0.00 C ATOM 668 CD LYS A 45 0.440 -4.004 7.252 1.00 0.00 C ATOM 669 CE LYS A 45 1.625 -3.170 7.719 1.00 0.00 C ATOM 670 NZ LYS A 45 2.796 -3.306 6.809 1.00 0.00 N ATOM 0 H LYS A 45 -2.170 -1.302 6.317 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.065 -3.531 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.939 -4.748 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.023 -4.266 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.325 -2.760 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.805 -2.254 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.035 -4.567 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.773 -4.732 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.331 -2.122 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.910 -3.477 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.359 -2.432 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.384 -4.106 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.463 -3.475 5.838 1.00 0.00 H new ATOM 684 N THR A 46 -2.631 -2.461 9.099 1.00 0.00 N ATOM 685 CA THR A 46 -2.842 -2.412 10.547 1.00 0.00 C ATOM 686 C THR A 46 -4.126 -1.651 10.899 1.00 0.00 C ATOM 687 O THR A 46 -4.684 -1.839 11.980 1.00 0.00 O ATOM 688 CB THR A 46 -1.643 -1.776 11.254 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.433 -2.126 10.600 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.516 -2.190 12.706 1.00 0.00 C ATOM 0 H THR A 46 -1.774 -2.013 8.776 1.00 0.00 H new ATOM 0 HA THR A 46 -2.948 -3.440 10.895 1.00 0.00 H new ATOM 0 HB THR A 46 -1.819 -0.701 11.213 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.281 -2.226 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.646 -1.704 13.148 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.413 -1.893 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.397 -3.272 12.767 1.00 0.00 H new ATOM 698 N ASN A 47 -4.593 -0.797 9.982 1.00 0.00 N ATOM 699 CA ASN A 47 -5.810 -0.020 10.205 1.00 0.00 C ATOM 700 C ASN A 47 -7.027 -0.667 9.530 1.00 0.00 C ATOM 701 O ASN A 47 -8.140 -0.581 10.053 1.00 0.00 O ATOM 702 CB ASN A 47 -5.632 1.417 9.698 1.00 0.00 C ATOM 703 CG ASN A 47 -5.838 2.449 10.792 1.00 0.00 C ATOM 704 OD1 ASN A 47 -4.967 3.279 11.048 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.997 2.402 11.442 1.00 0.00 N ATOM 0 H ASN A 47 -4.145 -0.629 9.081 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.992 -0.001 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.632 1.530 9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.338 1.604 8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.192 3.072 12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.691 1.696 11.196 1.00 0.00 H new ATOM 712 N TYR A 48 -6.820 -1.305 8.369 1.00 0.00 N ATOM 713 CA TYR A 48 -7.926 -1.944 7.648 1.00 0.00 C ATOM 714 C TYR A 48 -7.445 -3.078 6.728 1.00 0.00 C ATOM 715 O TYR A 48 -7.732 -3.079 5.528 1.00 0.00 O ATOM 716 CB TYR A 48 -8.695 -0.898 6.834 1.00 0.00 C ATOM 717 CG TYR A 48 -10.031 -0.523 7.433 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.054 -1.457 7.539 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.267 0.766 7.894 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.277 -1.116 8.085 1.00 0.00 C ATOM 721 CE2 TYR A 48 -11.487 1.113 8.440 1.00 0.00 C ATOM 722 CZ TYR A 48 -12.487 0.169 8.536 1.00 0.00 C ATOM 723 OH TYR A 48 -13.704 0.513 9.079 1.00 0.00 O ATOM 0 H TYR A 48 -5.910 -1.391 7.916 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.586 -2.389 8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.083 -0.000 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.853 -1.280 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.891 -2.466 7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.485 1.508 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.064 -1.852 8.158 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.657 2.120 8.791 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.687 1.455 9.349 1.00 0.00 H new ATOM 733 N VAL A 49 -6.720 -4.044 7.296 1.00 0.00 N ATOM 734 CA VAL A 49 -6.209 -5.179 6.518 1.00 0.00 C ATOM 735 C VAL A 49 -7.333 -6.128 6.095 1.00 0.00 C ATOM 736 O VAL A 49 -7.265 -6.739 5.028 1.00 0.00 O ATOM 737 CB VAL A 49 -5.126 -5.969 7.298 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.655 -6.460 8.639 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.594 -7.129 6.466 1.00 0.00 C ATOM 0 H VAL A 49 -6.474 -4.065 8.286 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.754 -4.757 5.622 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.299 -5.287 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.871 -7.010 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.963 -5.607 9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.510 -7.116 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.836 -7.667 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.412 -7.806 6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.153 -6.745 5.546 1.00 0.00 H new ATOM 749 N LYS A 50 -8.360 -6.258 6.935 1.00 0.00 N ATOM 750 CA LYS A 50 -9.495 -7.139 6.645 1.00 0.00 C ATOM 751 C LYS A 50 -9.051 -8.593 6.424 1.00 0.00 C ATOM 752 O LYS A 50 -9.827 -9.413 5.932 1.00 0.00 O ATOM 753 CB LYS A 50 -10.257 -6.637 5.413 1.00 0.00 C ATOM 754 CG LYS A 50 -11.642 -6.098 5.734 1.00 0.00 C ATOM 755 CD LYS A 50 -12.712 -6.745 4.864 1.00 0.00 C ATOM 756 CE LYS A 50 -14.098 -6.612 5.484 1.00 0.00 C ATOM 757 NZ LYS A 50 -14.135 -7.100 6.892 1.00 0.00 N ATOM 0 H LYS A 50 -8.431 -5.764 7.824 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.152 -7.118 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.674 -5.853 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.351 -7.453 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.869 -6.279 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.656 -5.018 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.708 -6.281 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.477 -7.800 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.408 -5.567 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.816 -7.174 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.035 -7.591 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.345 -7.758 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.050 -6.292 7.542 1.00 0.00 H new ATOM 771 N GLU A 51 -7.806 -8.906 6.788 1.00 0.00 N ATOM 772 CA GLU A 51 -7.269 -10.253 6.625 1.00 0.00 C ATOM 773 C GLU A 51 -6.086 -10.473 7.570 1.00 0.00 C ATOM 774 O GLU A 51 -5.828 -9.644 8.446 1.00 0.00 O ATOM 775 CB GLU A 51 -6.839 -10.467 5.166 1.00 0.00 C ATOM 776 CG GLU A 51 -7.279 -11.802 4.583 1.00 0.00 C ATOM 777 CD GLU A 51 -8.786 -11.984 4.602 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.453 -11.508 3.660 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.297 -12.603 5.560 1.00 0.00 O ATOM 0 H GLU A 51 -7.151 -8.241 7.199 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.044 -10.977 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.248 -9.662 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.753 -10.394 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.921 -11.881 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.813 -12.611 5.146 1.00 0.00 H new ATOM 786 N ARG A 52 -5.371 -11.584 7.395 1.00 0.00 N ATOM 787 CA ARG A 52 -4.218 -11.888 8.243 1.00 0.00 C ATOM 788 C ARG A 52 -3.087 -10.891 8.000 1.00 0.00 C ATOM 789 O ARG A 52 -2.485 -10.878 6.929 1.00 0.00 O ATOM 790 CB ARG A 52 -3.713 -13.312 7.988 1.00 0.00 C ATOM 791 CG ARG A 52 -4.669 -14.398 8.456 1.00 0.00 C ATOM 792 CD ARG A 52 -4.024 -15.308 9.491 1.00 0.00 C ATOM 793 NE ARG A 52 -4.444 -14.978 10.854 1.00 0.00 N ATOM 794 CZ ARG A 52 -5.678 -15.180 11.325 1.00 0.00 C ATOM 795 NH1 ARG A 52 -6.623 -15.700 10.543 1.00 0.00 N ATOM 796 NH2 ARG A 52 -5.967 -14.859 12.582 1.00 0.00 N ATOM 0 H ARG A 52 -5.567 -12.284 6.679 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.542 -11.809 9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.531 -13.437 6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.755 -13.443 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.561 -13.939 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.992 -14.991 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.283 -16.344 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.939 -15.228 9.417 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.753 -14.569 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.407 -15.947 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.563 -15.851 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.248 -14.459 13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.908 -15.012 12.944 1.00 0.00 H new ATOM 810 N PRO A 53 -2.769 -10.041 8.997 1.00 0.00 N ATOM 811 CA PRO A 53 -1.692 -9.049 8.869 1.00 0.00 C ATOM 812 C PRO A 53 -0.335 -9.698 8.596 1.00 0.00 C ATOM 813 O PRO A 53 0.559 -9.066 8.031 1.00 0.00 O ATOM 814 CB PRO A 53 -1.677 -8.340 10.228 1.00 0.00 C ATOM 815 CG PRO A 53 -2.404 -9.252 11.156 1.00 0.00 C ATOM 816 CD PRO A 53 -3.417 -9.979 10.320 1.00 0.00 C ATOM 0 HA PRO A 53 -1.866 -8.376 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.657 -8.164 10.569 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.166 -7.367 10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.717 -9.952 11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.889 -8.690 11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.627 -10.973 10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.366 -9.445 10.280 1.00 0.00 H new ATOM 824 N ASP A 54 -0.188 -10.960 9.004 1.00 0.00 N ATOM 825 CA ASP A 54 1.060 -11.694 8.808 1.00 0.00 C ATOM 826 C ASP A 54 1.082 -12.454 7.475 1.00 0.00 C ATOM 827 O ASP A 54 2.014 -13.219 7.217 1.00 0.00 O ATOM 828 CB ASP A 54 1.279 -12.672 9.967 1.00 0.00 C ATOM 829 CG ASP A 54 1.639 -11.972 11.266 1.00 0.00 C ATOM 830 OD1 ASP A 54 0.915 -11.031 11.657 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.642 -12.369 11.894 1.00 0.00 O ATOM 0 H ASP A 54 -0.920 -11.494 9.473 1.00 0.00 H new ATOM 0 HA ASP A 54 1.868 -10.963 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.374 -13.261 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.074 -13.370 9.703 1.00 0.00 H new ATOM 836 N LEU A 55 0.067 -12.251 6.631 1.00 0.00 N ATOM 837 CA LEU A 55 0.008 -12.932 5.338 1.00 0.00 C ATOM 838 C LEU A 55 0.668 -12.096 4.238 1.00 0.00 C ATOM 839 O LEU A 55 1.194 -12.645 3.267 1.00 0.00 O ATOM 840 CB LEU A 55 -1.445 -13.263 4.964 1.00 0.00 C ATOM 841 CG LEU A 55 -2.262 -12.116 4.358 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.035 -12.024 2.857 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.742 -12.299 4.655 1.00 0.00 C ATOM 0 H LEU A 55 -0.717 -11.627 6.818 1.00 0.00 H new ATOM 0 HA LEU A 55 0.564 -13.865 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.437 -14.091 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.958 -13.615 5.859 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.926 -11.185 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.625 -11.203 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.978 -11.845 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.339 -12.958 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.306 -11.475 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.085 -13.241 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.898 -12.312 5.734 1.00 0.00 H new ATOM 855 N LEU A 56 0.634 -10.771 4.390 1.00 0.00 N ATOM 856 CA LEU A 56 1.228 -9.872 3.398 1.00 0.00 C ATOM 857 C LEU A 56 2.627 -9.427 3.803 1.00 0.00 C ATOM 858 O LEU A 56 3.529 -9.395 2.969 1.00 0.00 O ATOM 859 CB LEU A 56 0.355 -8.633 3.168 1.00 0.00 C ATOM 860 CG LEU A 56 -0.227 -7.973 4.421 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.449 -6.487 4.185 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.532 -8.646 4.830 1.00 0.00 C ATOM 0 H LEU A 56 0.204 -10.298 5.185 1.00 0.00 H new ATOM 0 HA LEU A 56 1.294 -10.441 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.948 -7.891 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.470 -8.912 2.513 1.00 0.00 H new ATOM 0 HG LEU A 56 0.490 -8.093 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.863 -6.033 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.501 -6.011 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.145 -6.350 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.927 -8.161 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.255 -8.560 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.348 -9.699 5.041 1.00 0.00 H new ATOM 874 N VAL A 57 2.802 -9.067 5.072 1.00 0.00 N ATOM 875 CA VAL A 57 4.101 -8.606 5.556 1.00 0.00 C ATOM 876 C VAL A 57 5.194 -9.636 5.303 1.00 0.00 C ATOM 877 O VAL A 57 4.949 -10.845 5.322 1.00 0.00 O ATOM 878 CB VAL A 57 4.086 -8.269 7.060 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.275 -7.010 7.315 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.562 -9.442 7.878 1.00 0.00 C ATOM 0 H VAL A 57 2.067 -9.085 5.779 1.00 0.00 H new ATOM 0 HA VAL A 57 4.314 -7.697 4.994 1.00 0.00 H new ATOM 0 HB VAL A 57 5.111 -8.080 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.275 -6.787 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.717 -6.176 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.250 -7.163 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.562 -9.177 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.546 -9.680 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.203 -10.310 7.721 1.00 0.00 H new ATOM 890 N ASP A 58 6.403 -9.140 5.073 1.00 0.00 N ATOM 891 CA ASP A 58 7.558 -9.993 4.823 1.00 0.00 C ATOM 892 C ASP A 58 7.856 -10.856 6.047 1.00 0.00 C ATOM 893 O ASP A 58 7.896 -12.085 5.955 1.00 0.00 O ATOM 894 CB ASP A 58 8.777 -9.138 4.471 1.00 0.00 C ATOM 895 CG ASP A 58 9.914 -9.963 3.901 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.650 -10.586 4.695 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.070 -9.983 2.663 1.00 0.00 O ATOM 0 H ASP A 58 6.610 -8.141 5.054 1.00 0.00 H new ATOM 0 HA ASP A 58 7.332 -10.648 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.487 -8.376 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.122 -8.616 5.364 1.00 0.00 H new ATOM 902 N GLN A 59 8.050 -10.199 7.194 1.00 0.00 N ATOM 903 CA GLN A 59 8.329 -10.902 8.445 1.00 0.00 C ATOM 904 C GLN A 59 8.370 -9.939 9.631 1.00 0.00 C ATOM 905 O GLN A 59 7.806 -10.225 10.689 1.00 0.00 O ATOM 906 CB GLN A 59 9.653 -11.671 8.357 1.00 0.00 C ATOM 907 CG GLN A 59 9.936 -12.538 9.577 1.00 0.00 C ATOM 908 CD GLN A 59 9.991 -14.020 9.253 1.00 0.00 C ATOM 909 OE1 GLN A 59 9.492 -14.464 8.219 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.599 -14.797 10.144 1.00 0.00 N ATOM 0 H GLN A 59 8.019 -9.183 7.280 1.00 0.00 H new ATOM 0 HA GLN A 59 7.516 -11.611 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.639 -12.302 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.469 -10.960 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.884 -12.233 10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.164 -12.364 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.999 -14.388 10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.665 -15.802 9.983 1.00 0.00 H new ATOM 919 N THR A 60 9.042 -8.803 9.453 1.00 0.00 N ATOM 920 CA THR A 60 9.161 -7.805 10.515 1.00 0.00 C ATOM 921 C THR A 60 8.012 -6.786 10.477 1.00 0.00 C ATOM 922 O THR A 60 8.094 -5.728 11.103 1.00 0.00 O ATOM 923 CB THR A 60 10.523 -7.099 10.418 1.00 0.00 C ATOM 924 OG1 THR A 60 10.704 -6.187 11.487 1.00 0.00 O ATOM 925 CG2 THR A 60 10.727 -6.333 9.124 1.00 0.00 C ATOM 0 H THR A 60 9.512 -8.551 8.584 1.00 0.00 H new ATOM 0 HA THR A 60 9.094 -8.322 11.472 1.00 0.00 H new ATOM 0 HB THR A 60 11.254 -7.907 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.875 -5.685 11.633 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.710 -5.863 9.131 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.659 -7.020 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.959 -5.566 9.030 1.00 0.00 H new ATOM 933 N GLY A 61 6.941 -7.108 9.742 1.00 0.00 N ATOM 934 CA GLY A 61 5.803 -6.203 9.644 1.00 0.00 C ATOM 935 C GLY A 61 6.198 -4.816 9.167 1.00 0.00 C ATOM 936 O GLY A 61 5.496 -3.838 9.427 1.00 0.00 O ATOM 0 H GLY A 61 6.844 -7.976 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.068 -6.623 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.321 -6.124 10.619 1.00 0.00 H new ATOM 940 N GLN A 62 7.332 -4.735 8.470 1.00 0.00 N ATOM 941 CA GLN A 62 7.839 -3.465 7.953 1.00 0.00 C ATOM 942 C GLN A 62 7.675 -3.393 6.438 1.00 0.00 C ATOM 943 O GLN A 62 7.450 -2.319 5.876 1.00 0.00 O ATOM 944 CB GLN A 62 9.315 -3.298 8.330 1.00 0.00 C ATOM 945 CG GLN A 62 9.899 -1.940 7.967 1.00 0.00 C ATOM 946 CD GLN A 62 10.112 -1.052 9.180 1.00 0.00 C ATOM 947 OE1 GLN A 62 9.154 -0.610 9.814 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.373 -0.784 9.512 1.00 0.00 N ATOM 0 H GLN A 62 7.919 -5.539 8.250 1.00 0.00 H new ATOM 0 HA GLN A 62 7.261 -2.656 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.425 -3.454 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.896 -4.076 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.850 -2.083 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.232 -1.438 7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.139 -1.170 8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.573 -0.192 10.318 1.00 0.00 H new ATOM 957 N THR A 63 7.784 -4.546 5.784 1.00 0.00 N ATOM 958 CA THR A 63 7.646 -4.630 4.335 1.00 0.00 C ATOM 959 C THR A 63 6.709 -5.781 3.962 1.00 0.00 C ATOM 960 O THR A 63 6.201 -6.475 4.843 1.00 0.00 O ATOM 961 CB THR A 63 9.025 -4.812 3.686 1.00 0.00 C ATOM 962 OG1 THR A 63 8.913 -4.955 2.280 1.00 0.00 O ATOM 963 CG2 THR A 63 9.784 -6.012 4.213 1.00 0.00 C ATOM 0 H THR A 63 7.969 -5.440 6.239 1.00 0.00 H new ATOM 0 HA THR A 63 7.212 -3.703 3.962 1.00 0.00 H new ATOM 0 HB THR A 63 9.580 -3.910 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.805 -5.068 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.749 -6.081 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.940 -5.902 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.210 -6.919 4.021 1.00 0.00 H new ATOM 971 N LEU A 64 6.476 -5.976 2.665 1.00 0.00 N ATOM 972 CA LEU A 64 5.593 -7.044 2.198 1.00 0.00 C ATOM 973 C LEU A 64 6.388 -8.218 1.631 1.00 0.00 C ATOM 974 O LEU A 64 7.507 -8.048 1.142 1.00 0.00 O ATOM 975 CB LEU A 64 4.627 -6.515 1.132 1.00 0.00 C ATOM 976 CG LEU A 64 3.485 -5.625 1.644 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.313 -5.666 0.677 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.036 -6.050 3.038 1.00 0.00 C ATOM 0 H LEU A 64 6.885 -5.411 1.921 1.00 0.00 H new ATOM 0 HA LEU A 64 5.024 -7.397 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.201 -5.950 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.192 -7.367 0.609 1.00 0.00 H new ATOM 0 HG LEU A 64 3.857 -4.602 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.510 -5.031 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.635 -5.306 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.953 -6.691 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.227 -5.401 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.686 -7.082 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.874 -5.971 3.730 1.00 0.00 H new ATOM 990 N ARG A 65 5.796 -9.410 1.699 1.00 0.00 N ATOM 991 CA ARG A 65 6.438 -10.625 1.192 1.00 0.00 C ATOM 992 C ARG A 65 6.648 -10.555 -0.322 1.00 0.00 C ATOM 993 O ARG A 65 5.918 -9.852 -1.025 1.00 0.00 O ATOM 994 CB ARG A 65 5.603 -11.863 1.546 1.00 0.00 C ATOM 995 CG ARG A 65 4.123 -11.726 1.210 1.00 0.00 C ATOM 996 CD ARG A 65 3.660 -12.807 0.245 1.00 0.00 C ATOM 997 NE ARG A 65 3.198 -14.009 0.941 1.00 0.00 N ATOM 998 CZ ARG A 65 2.456 -14.964 0.371 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.082 -14.861 -0.902 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.081 -16.026 1.078 1.00 0.00 N ATOM 0 H ARG A 65 4.871 -9.562 2.101 1.00 0.00 H new ATOM 0 HA ARG A 65 7.415 -10.704 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.007 -12.726 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.706 -12.066 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.536 -11.781 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.939 -10.745 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.854 -12.416 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.479 -13.069 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 65 3.458 -14.125 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.361 -14.048 -1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.516 -15.595 -1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.359 -16.112 2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.515 -16.754 0.643 1.00 0.00 H new ATOM 1014 N PRO A 66 7.655 -11.293 -0.844 1.00 0.00 N ATOM 1015 CA PRO A 66 7.968 -11.327 -2.283 1.00 0.00 C ATOM 1016 C PRO A 66 6.745 -11.603 -3.154 1.00 0.00 C ATOM 1017 O PRO A 66 6.653 -11.102 -4.277 1.00 0.00 O ATOM 1018 CB PRO A 66 8.967 -12.478 -2.401 1.00 0.00 C ATOM 1019 CG PRO A 66 9.622 -12.545 -1.069 1.00 0.00 C ATOM 1020 CD PRO A 66 8.566 -12.156 -0.068 1.00 0.00 C ATOM 0 HA PRO A 66 8.348 -10.366 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.465 -13.415 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.694 -12.292 -3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.999 -13.548 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.475 -11.869 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.049 -13.029 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.995 -11.625 0.782 1.00 0.00 H new ATOM 1028 N GLY A 67 5.813 -12.401 -2.629 1.00 0.00 N ATOM 1029 CA GLY A 67 4.600 -12.735 -3.362 1.00 0.00 C ATOM 1030 C GLY A 67 3.937 -11.521 -4.000 1.00 0.00 C ATOM 1031 O GLY A 67 3.419 -11.612 -5.112 1.00 0.00 O ATOM 0 H GLY A 67 5.878 -12.824 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.840 -13.461 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.893 -13.214 -2.685 1.00 0.00 H new ATOM 1035 N ILE A 68 3.962 -10.384 -3.302 1.00 0.00 N ATOM 1036 CA ILE A 68 3.365 -9.155 -3.823 1.00 0.00 C ATOM 1037 C ILE A 68 4.440 -8.184 -4.303 1.00 0.00 C ATOM 1038 O ILE A 68 5.426 -7.939 -3.605 1.00 0.00 O ATOM 1039 CB ILE A 68 2.495 -8.442 -2.765 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.510 -9.418 -2.118 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.748 -7.271 -3.390 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.413 -9.259 -0.618 1.00 0.00 C ATOM 0 H ILE A 68 4.387 -10.290 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 68 2.733 -9.451 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 68 3.155 -8.059 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.523 -9.272 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.815 -10.439 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.140 -6.780 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.465 -6.558 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.104 -7.636 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.698 -9.980 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.391 -9.433 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.079 -8.249 -0.380 1.00 0.00 H new ATOM 1054 N LEU A 69 4.239 -7.627 -5.494 1.00 0.00 N ATOM 1055 CA LEU A 69 5.181 -6.674 -6.069 1.00 0.00 C ATOM 1056 C LEU A 69 4.680 -5.245 -5.888 1.00 0.00 C ATOM 1057 O LEU A 69 3.820 -4.779 -6.639 1.00 0.00 O ATOM 1058 CB LEU A 69 5.399 -6.972 -7.556 1.00 0.00 C ATOM 1059 CG LEU A 69 6.538 -7.946 -7.867 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.439 -8.434 -9.305 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.888 -7.287 -7.614 1.00 0.00 C ATOM 0 H LEU A 69 3.428 -7.821 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 69 6.132 -6.776 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.474 -7.376 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.595 -6.033 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 69 6.449 -8.807 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.256 -9.126 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.486 -8.943 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.504 -7.583 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.686 -7.994 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.989 -6.409 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.956 -6.986 -6.569 1.00 0.00 H new ATOM 1073 N VAL A 70 5.225 -4.554 -4.887 1.00 0.00 N ATOM 1074 CA VAL A 70 4.835 -3.172 -4.608 1.00 0.00 C ATOM 1075 C VAL A 70 5.472 -2.213 -5.613 1.00 0.00 C ATOM 1076 O VAL A 70 6.668 -2.304 -5.897 1.00 0.00 O ATOM 1077 CB VAL A 70 5.223 -2.736 -3.174 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.350 -3.434 -2.142 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.697 -3.002 -2.900 1.00 0.00 C ATOM 0 H VAL A 70 5.936 -4.927 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 70 3.750 -3.131 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 70 5.055 -1.662 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.641 -3.112 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.305 -3.178 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.478 -4.513 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.941 -2.686 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.901 -4.067 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.306 -2.443 -3.611 1.00 0.00 H new ATOM 1089 N LEU A 71 4.664 -1.299 -6.152 1.00 0.00 N ATOM 1090 CA LEU A 71 5.150 -0.326 -7.132 1.00 0.00 C ATOM 1091 C LEU A 71 4.696 1.091 -6.783 1.00 0.00 C ATOM 1092 O LEU A 71 3.557 1.304 -6.358 1.00 0.00 O ATOM 1093 CB LEU A 71 4.667 -0.678 -8.545 1.00 0.00 C ATOM 1094 CG LEU A 71 4.459 -2.167 -8.832 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.807 -2.351 -10.195 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.783 -2.920 -8.767 1.00 0.00 C ATOM 0 H LEU A 71 3.673 -1.212 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 71 6.239 -0.364 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.726 -0.159 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.389 -0.288 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 71 3.798 -2.578 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.664 -3.414 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.841 -1.846 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.449 -1.925 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.611 -3.976 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.470 -2.512 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.215 -2.811 -7.772 1.00 0.00 H new ATOM 1108 N VAL A 72 5.592 2.059 -6.986 1.00 0.00 N ATOM 1109 CA VAL A 72 5.290 3.460 -6.716 1.00 0.00 C ATOM 1110 C VAL A 72 5.325 4.273 -8.008 1.00 0.00 C ATOM 1111 O VAL A 72 6.365 4.366 -8.664 1.00 0.00 O ATOM 1112 CB VAL A 72 6.282 4.081 -5.708 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.815 5.466 -5.279 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.462 3.181 -4.495 1.00 0.00 C ATOM 0 H VAL A 72 6.535 1.894 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 72 4.291 3.490 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 72 7.248 4.179 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.527 5.886 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.748 6.114 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.835 5.390 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.165 3.642 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.501 3.042 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.849 2.213 -4.814 1.00 0.00 H new ATOM 1124 N ASN A 73 4.179 4.855 -8.368 1.00 0.00 N ATOM 1125 CA ASN A 73 4.063 5.661 -9.588 1.00 0.00 C ATOM 1126 C ASN A 73 4.466 4.853 -10.824 1.00 0.00 C ATOM 1127 O ASN A 73 5.271 5.308 -11.641 1.00 0.00 O ATOM 1128 CB ASN A 73 4.929 6.925 -9.482 1.00 0.00 C ATOM 1129 CG ASN A 73 4.332 7.974 -8.563 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.141 7.948 -8.260 1.00 0.00 O ATOM 1131 ND2 ASN A 73 5.158 8.913 -8.117 1.00 0.00 N ATOM 0 H ASN A 73 3.315 4.783 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 73 3.019 5.954 -9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.919 6.651 -9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.062 7.353 -10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.810 9.647 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.140 8.900 -8.391 1.00 0.00 H new ATOM 1138 N SER A 74 3.900 3.651 -10.956 1.00 0.00 N ATOM 1139 CA SER A 74 4.195 2.775 -12.088 1.00 0.00 C ATOM 1140 C SER A 74 5.693 2.447 -12.163 1.00 0.00 C ATOM 1141 O SER A 74 6.308 2.530 -13.229 1.00 0.00 O ATOM 1142 CB SER A 74 3.724 3.425 -13.396 1.00 0.00 C ATOM 1143 OG SER A 74 3.135 2.467 -14.257 1.00 0.00 O ATOM 0 H SER A 74 3.233 3.263 -10.289 1.00 0.00 H new ATOM 0 HA SER A 74 3.655 1.839 -11.942 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.003 4.213 -13.176 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.569 3.897 -13.896 1.00 0.00 H new ATOM 0 HG SER A 74 2.842 2.906 -15.083 1.00 0.00 H new ATOM 1149 N CYS A 75 6.274 2.070 -11.022 1.00 0.00 N ATOM 1150 CA CYS A 75 7.692 1.725 -10.954 1.00 0.00 C ATOM 1151 C CYS A 75 7.988 0.911 -9.696 1.00 0.00 C ATOM 1152 O CYS A 75 7.351 1.110 -8.662 1.00 0.00 O ATOM 1153 CB CYS A 75 8.548 2.996 -10.975 1.00 0.00 C ATOM 1154 SG CYS A 75 10.330 2.696 -10.941 1.00 0.00 S ATOM 0 H CYS A 75 5.781 1.996 -10.132 1.00 0.00 H new ATOM 0 HA CYS A 75 7.941 1.118 -11.824 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.305 3.568 -11.870 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.279 3.615 -10.119 1.00 0.00 H new ATOM 0 HG CYS A 75 10.962 3.832 -10.964 1.00 0.00 H new ATOM 1160 N ASP A 76 8.953 -0.010 -9.790 1.00 0.00 N ATOM 1161 CA ASP A 76 9.328 -0.858 -8.652 1.00 0.00 C ATOM 1162 C ASP A 76 9.480 -0.036 -7.371 1.00 0.00 C ATOM 1163 O ASP A 76 10.309 0.875 -7.300 1.00 0.00 O ATOM 1164 CB ASP A 76 10.635 -1.607 -8.942 1.00 0.00 C ATOM 1165 CG ASP A 76 10.455 -2.781 -9.890 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.347 -3.360 -9.928 1.00 0.00 O ATOM 1167 OD2 ASP A 76 11.427 -3.125 -10.595 1.00 0.00 O ATOM 0 H ASP A 76 9.488 -0.188 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 76 8.525 -1.581 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.358 -0.911 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.055 -1.968 -8.003 1.00 0.00 H new ATOM 1172 N ALA A 77 8.670 -0.365 -6.364 1.00 0.00 N ATOM 1173 CA ALA A 77 8.709 0.343 -5.084 1.00 0.00 C ATOM 1174 C ALA A 77 9.882 -0.106 -4.213 1.00 0.00 C ATOM 1175 O ALA A 77 10.252 0.592 -3.270 1.00 0.00 O ATOM 1176 CB ALA A 77 7.408 0.140 -4.323 1.00 0.00 C ATOM 0 H ALA A 77 7.981 -1.115 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 77 8.842 1.401 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.455 0.673 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.577 0.524 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.259 -0.923 -4.135 1.00 0.00 H new ATOM 1182 N GLU A 78 10.460 -1.268 -4.522 1.00 0.00 N ATOM 1183 CA GLU A 78 11.582 -1.790 -3.747 1.00 0.00 C ATOM 1184 C GLU A 78 12.882 -1.087 -4.119 1.00 0.00 C ATOM 1185 O GLU A 78 13.743 -0.875 -3.263 1.00 0.00 O ATOM 1186 CB GLU A 78 11.725 -3.306 -3.945 1.00 0.00 C ATOM 1187 CG GLU A 78 11.762 -3.744 -5.406 1.00 0.00 C ATOM 1188 CD GLU A 78 10.551 -4.570 -5.811 1.00 0.00 C ATOM 1189 OE1 GLU A 78 10.111 -5.423 -5.010 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.043 -4.365 -6.934 1.00 0.00 O ATOM 0 H GLU A 78 10.170 -1.861 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 78 11.375 -1.594 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.638 -3.641 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.894 -3.806 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.822 -2.861 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.667 -4.326 -5.582 1.00 0.00 H new ATOM 1197 N VAL A 79 13.020 -0.724 -5.392 1.00 0.00 N ATOM 1198 CA VAL A 79 14.222 -0.044 -5.854 1.00 0.00 C ATOM 1199 C VAL A 79 14.294 1.380 -5.302 1.00 0.00 C ATOM 1200 O VAL A 79 15.341 1.812 -4.818 1.00 0.00 O ATOM 1201 CB VAL A 79 14.308 0.002 -7.394 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.646 0.578 -7.837 1.00 0.00 C ATOM 1203 CG2 VAL A 79 14.094 -1.385 -7.989 1.00 0.00 C ATOM 0 H VAL A 79 12.319 -0.889 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 79 15.067 -0.622 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 79 13.515 0.654 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.689 0.603 -8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.754 1.590 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.455 -0.046 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.159 -1.329 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.860 -2.064 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 79 13.110 -1.756 -7.703 1.00 0.00 H new ATOM 1213 N VAL A 80 13.174 2.102 -5.374 1.00 0.00 N ATOM 1214 CA VAL A 80 13.110 3.478 -4.878 1.00 0.00 C ATOM 1215 C VAL A 80 13.414 3.554 -3.380 1.00 0.00 C ATOM 1216 O VAL A 80 14.028 4.516 -2.916 1.00 0.00 O ATOM 1217 CB VAL A 80 11.731 4.124 -5.143 1.00 0.00 C ATOM 1218 CG1 VAL A 80 11.579 4.463 -6.618 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.597 3.217 -4.678 1.00 0.00 C ATOM 0 H VAL A 80 12.300 1.757 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 80 13.872 4.032 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 80 11.674 5.047 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.603 4.917 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.361 5.163 -6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.664 3.553 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.640 3.699 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.645 2.270 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.694 3.033 -3.608 1.00 0.00 H new ATOM 1229 N GLY A 81 12.981 2.537 -2.629 1.00 0.00 N ATOM 1230 CA GLY A 81 13.219 2.517 -1.194 1.00 0.00 C ATOM 1231 C GLY A 81 12.632 1.292 -0.504 1.00 0.00 C ATOM 1232 O GLY A 81 13.216 0.778 0.450 1.00 0.00 O ATOM 0 H GLY A 81 12.472 1.730 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.293 2.550 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.792 3.416 -0.749 1.00 0.00 H new ATOM 1236 N GLY A 82 11.473 0.830 -0.982 1.00 0.00 N ATOM 1237 CA GLY A 82 10.825 -0.329 -0.389 1.00 0.00 C ATOM 1238 C GLY A 82 9.823 0.059 0.681 1.00 0.00 C ATOM 1239 O GLY A 82 8.657 -0.335 0.618 1.00 0.00 O ATOM 0 H GLY A 82 10.973 1.240 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.319 -0.899 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.581 -0.984 0.044 1.00 0.00 H new ATOM 1243 N MET A 83 10.276 0.839 1.662 1.00 0.00 N ATOM 1244 CA MET A 83 9.412 1.291 2.750 1.00 0.00 C ATOM 1245 C MET A 83 9.835 2.674 3.261 1.00 0.00 C ATOM 1246 O MET A 83 9.608 3.006 4.426 1.00 0.00 O ATOM 1247 CB MET A 83 9.427 0.273 3.898 1.00 0.00 C ATOM 1248 CG MET A 83 10.824 -0.096 4.383 1.00 0.00 C ATOM 1249 SD MET A 83 11.133 -1.872 4.321 1.00 0.00 S ATOM 1250 CE MET A 83 12.463 -2.034 5.509 1.00 0.00 C ATOM 0 H MET A 83 11.238 1.171 1.725 1.00 0.00 H new ATOM 0 HA MET A 83 8.397 1.373 2.360 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.858 0.677 4.735 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.916 -0.633 3.573 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.565 0.419 3.772 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.954 0.256 5.406 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.314 -2.936 6.102 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.415 -2.099 4.983 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.471 -1.165 6.167 1.00 0.00 H new ATOM 1260 N ASP A 84 10.452 3.480 2.388 1.00 0.00 N ATOM 1261 CA ASP A 84 10.905 4.817 2.772 1.00 0.00 C ATOM 1262 C ASP A 84 10.427 5.901 1.795 1.00 0.00 C ATOM 1263 O ASP A 84 10.941 7.020 1.808 1.00 0.00 O ATOM 1264 CB ASP A 84 12.434 4.841 2.873 1.00 0.00 C ATOM 1265 CG ASP A 84 12.939 5.892 3.844 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.437 5.937 4.989 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.839 6.667 3.462 1.00 0.00 O ATOM 0 H ASP A 84 10.647 3.230 1.419 1.00 0.00 H new ATOM 0 HA ASP A 84 10.465 5.041 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.789 3.860 3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.857 5.031 1.886 1.00 0.00 H new ATOM 1272 N TYR A 85 9.443 5.572 0.954 1.00 0.00 N ATOM 1273 CA TYR A 85 8.915 6.535 -0.013 1.00 0.00 C ATOM 1274 C TYR A 85 8.117 7.634 0.690 1.00 0.00 C ATOM 1275 O TYR A 85 7.056 7.375 1.262 1.00 0.00 O ATOM 1276 CB TYR A 85 8.037 5.825 -1.045 1.00 0.00 C ATOM 1277 CG TYR A 85 8.131 6.420 -2.433 1.00 0.00 C ATOM 1278 CD1 TYR A 85 7.391 7.544 -2.779 1.00 0.00 C ATOM 1279 CD2 TYR A 85 8.959 5.858 -3.396 1.00 0.00 C ATOM 1280 CE1 TYR A 85 7.472 8.088 -4.047 1.00 0.00 C ATOM 1281 CE2 TYR A 85 9.046 6.395 -4.665 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.300 7.510 -4.986 1.00 0.00 C ATOM 1283 OH TYR A 85 8.380 8.049 -6.252 1.00 0.00 O ATOM 0 H TYR A 85 9.000 4.654 0.923 1.00 0.00 H new ATOM 0 HA TYR A 85 9.759 6.998 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.321 4.774 -1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.999 5.861 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.742 8.000 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.545 4.986 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.890 8.961 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.694 5.945 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 85 9.008 7.525 -6.792 1.00 0.00 H new ATOM 1293 N VAL A 86 8.639 8.861 0.642 1.00 0.00 N ATOM 1294 CA VAL A 86 7.983 10.008 1.275 1.00 0.00 C ATOM 1295 C VAL A 86 6.694 10.388 0.546 1.00 0.00 C ATOM 1296 O VAL A 86 6.586 10.222 -0.670 1.00 0.00 O ATOM 1297 CB VAL A 86 8.916 11.241 1.331 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.098 10.979 2.253 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.398 11.631 -0.062 1.00 0.00 C ATOM 0 H VAL A 86 9.515 9.087 0.171 1.00 0.00 H new ATOM 0 HA VAL A 86 7.741 9.702 2.293 1.00 0.00 H new ATOM 0 HB VAL A 86 8.343 12.076 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.742 11.858 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.735 10.766 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.665 10.125 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.052 12.500 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.947 10.799 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.540 11.873 -0.689 1.00 0.00 H new ATOM 1309 N LEU A 87 5.718 10.900 1.300 1.00 0.00 N ATOM 1310 CA LEU A 87 4.432 11.303 0.729 1.00 0.00 C ATOM 1311 C LEU A 87 4.394 12.803 0.434 1.00 0.00 C ATOM 1312 O LEU A 87 5.151 13.581 1.019 1.00 0.00 O ATOM 1313 CB LEU A 87 3.288 10.940 1.678 1.00 0.00 C ATOM 1314 CG LEU A 87 2.089 10.261 1.013 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.393 8.797 0.748 1.00 0.00 C ATOM 1316 CD2 LEU A 87 0.844 10.405 1.878 1.00 0.00 C ATOM 0 H LEU A 87 5.794 11.045 2.307 1.00 0.00 H new ATOM 0 HA LEU A 87 4.310 10.765 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.675 10.281 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.944 11.848 2.173 1.00 0.00 H new ATOM 0 HG LEU A 87 1.897 10.752 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.531 8.326 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.257 8.718 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.609 8.294 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.002 9.916 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.019 9.940 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.618 11.462 2.018 1.00 0.00 H new ATOM 1328 N ASN A 88 3.500 13.198 -0.474 1.00 0.00 N ATOM 1329 CA ASN A 88 3.348 14.604 -0.852 1.00 0.00 C ATOM 1330 C ASN A 88 1.933 14.889 -1.370 1.00 0.00 C ATOM 1331 O ASN A 88 1.751 15.689 -2.291 1.00 0.00 O ATOM 1332 CB ASN A 88 4.388 14.981 -1.916 1.00 0.00 C ATOM 1333 CG ASN A 88 4.349 14.058 -3.122 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.039 13.040 -3.158 1.00 0.00 O ATOM 1335 ND2 ASN A 88 3.543 14.412 -4.116 1.00 0.00 N ATOM 0 H ASN A 88 2.869 12.562 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 88 3.511 15.213 0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.214 16.006 -2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.383 14.952 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.478 13.831 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.988 15.265 -4.044 1.00 0.00 H new ATOM 1342 N ASP A 89 0.935 14.228 -0.774 1.00 0.00 N ATOM 1343 CA ASP A 89 -0.468 14.401 -1.169 1.00 0.00 C ATOM 1344 C ASP A 89 -0.709 13.953 -2.617 1.00 0.00 C ATOM 1345 O ASP A 89 -1.618 14.440 -3.287 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.899 15.864 -0.990 1.00 0.00 C ATOM 1347 CG ASP A 89 -2.288 16.011 -0.388 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.996 14.989 -0.240 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -2.672 17.155 -0.065 1.00 0.00 O ATOM 0 H ASP A 89 1.074 13.564 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.072 13.768 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.177 16.373 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.875 16.364 -1.958 1.00 0.00 H new ATOM 1354 N GLY A 90 0.111 13.016 -3.091 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.025 12.513 -4.447 1.00 0.00 C ATOM 1356 C GLY A 90 0.820 11.276 -4.688 1.00 0.00 C ATOM 1357 O GLY A 90 1.442 11.139 -5.743 1.00 0.00 O ATOM 0 H GLY A 90 0.871 12.595 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.072 12.280 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.265 13.292 -5.152 1.00 0.00 H new ATOM 1361 N ASP A 91 0.845 10.380 -3.704 1.00 0.00 N ATOM 1362 CA ASP A 91 1.620 9.150 -3.809 1.00 0.00 C ATOM 1363 C ASP A 91 0.827 8.063 -4.532 1.00 0.00 C ATOM 1364 O ASP A 91 -0.385 8.185 -4.720 1.00 0.00 O ATOM 1365 CB ASP A 91 2.033 8.668 -2.413 1.00 0.00 C ATOM 1366 CG ASP A 91 3.336 7.892 -2.425 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.371 8.473 -2.813 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.320 6.703 -2.047 1.00 0.00 O ATOM 0 H ASP A 91 0.337 10.484 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 91 2.516 9.359 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.133 9.528 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.244 8.039 -2.002 1.00 0.00 H new ATOM 1373 N THR A 92 1.520 7.000 -4.935 1.00 0.00 N ATOM 1374 CA THR A 92 0.885 5.888 -5.635 1.00 0.00 C ATOM 1375 C THR A 92 1.483 4.557 -5.186 1.00 0.00 C ATOM 1376 O THR A 92 2.702 4.381 -5.206 1.00 0.00 O ATOM 1377 CB THR A 92 1.037 6.051 -7.150 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.460 7.270 -7.588 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.399 4.931 -7.942 1.00 0.00 C ATOM 0 H THR A 92 2.523 6.886 -4.788 1.00 0.00 H new ATOM 0 HA THR A 92 -0.177 5.892 -5.388 1.00 0.00 H new ATOM 0 HB THR A 92 2.112 6.036 -7.332 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.162 7.857 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.544 5.110 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.860 3.982 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.668 4.892 -7.723 1.00 0.00 H new ATOM 1387 N VAL A 93 0.621 3.626 -4.781 1.00 0.00 N ATOM 1388 CA VAL A 93 1.068 2.310 -4.327 1.00 0.00 C ATOM 1389 C VAL A 93 0.113 1.212 -4.796 1.00 0.00 C ATOM 1390 O VAL A 93 -1.110 1.348 -4.682 1.00 0.00 O ATOM 1391 CB VAL A 93 1.199 2.262 -2.786 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.131 2.574 -2.117 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.730 0.907 -2.334 1.00 0.00 C ATOM 0 H VAL A 93 -0.390 3.758 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 93 2.050 2.135 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 93 1.914 3.027 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.012 2.534 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.460 3.571 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.875 1.841 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.815 0.894 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.044 0.122 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.711 0.735 -2.777 1.00 0.00 H new ATOM 1403 N GLU A 94 0.677 0.128 -5.330 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.122 -0.993 -5.823 1.00 0.00 C ATOM 1405 C GLU A 94 0.426 -2.328 -5.323 1.00 0.00 C ATOM 1406 O GLU A 94 1.639 -2.515 -5.225 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.151 -0.993 -7.354 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.613 0.323 -7.960 1.00 0.00 C ATOM 1409 CD GLU A 94 0.240 0.755 -9.138 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.026 0.289 -10.265 1.00 0.00 O ATOM 1411 OE2 GLU A 94 1.174 1.560 -8.933 1.00 0.00 O ATOM 0 H GLU A 94 1.684 0.003 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.135 -0.870 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.847 -1.223 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.811 -1.791 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.649 0.226 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.589 1.099 -7.195 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.482 -3.257 -5.021 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.102 -4.584 -4.541 1.00 0.00 C ATOM 1420 C PHE A 95 -0.473 -5.647 -5.574 1.00 0.00 C ATOM 1421 O PHE A 95 -1.647 -5.991 -5.729 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.780 -4.889 -3.200 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.510 -3.865 -2.127 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.736 -3.262 -2.013 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.505 -3.508 -1.232 1.00 0.00 C ATOM 1426 CE1 PHE A 95 0.978 -2.324 -1.027 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -1.267 -2.570 -0.245 1.00 0.00 C ATOM 1428 CZ PHE A 95 -0.024 -1.977 -0.143 1.00 0.00 C ATOM 0 H PHE A 95 -1.489 -3.113 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 95 0.978 -4.599 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.856 -4.960 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.444 -5.865 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.524 -3.529 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.479 -3.968 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.951 -1.862 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.052 -2.301 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.164 -1.243 0.627 1.00 0.00 H new ATOM 1438 N ILE A 96 0.535 -6.154 -6.284 1.00 0.00 N ATOM 1439 CA ILE A 96 0.322 -7.168 -7.315 1.00 0.00 C ATOM 1440 C ILE A 96 0.898 -8.519 -6.884 1.00 0.00 C ATOM 1441 O ILE A 96 2.116 -8.687 -6.806 1.00 0.00 O ATOM 1442 CB ILE A 96 0.964 -6.745 -8.657 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.514 -5.334 -9.050 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.617 -7.737 -9.759 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.535 -4.582 -9.875 1.00 0.00 C ATOM 0 H ILE A 96 1.509 -5.878 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.755 -7.265 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 96 2.046 -6.740 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.417 -5.402 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.299 -4.765 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.079 -7.419 -10.694 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.988 -8.726 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.465 -7.777 -9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.149 -3.592 -10.117 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.460 -4.482 -9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.733 -5.129 -10.797 1.00 0.00 H new ATOM 1457 N SER A 97 0.015 -9.479 -6.604 1.00 0.00 N ATOM 1458 CA SER A 97 0.438 -10.813 -6.180 1.00 0.00 C ATOM 1459 C SER A 97 0.941 -11.637 -7.367 1.00 0.00 C ATOM 1460 O SER A 97 0.412 -11.531 -8.476 1.00 0.00 O ATOM 1461 CB SER A 97 -0.713 -11.543 -5.475 1.00 0.00 C ATOM 1462 OG SER A 97 -1.721 -11.946 -6.392 1.00 0.00 O ATOM 0 H SER A 97 -0.996 -9.357 -6.663 1.00 0.00 H new ATOM 0 HA SER A 97 1.262 -10.695 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.324 -12.418 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.149 -10.890 -4.719 1.00 0.00 H new ATOM 0 HG SER A 97 -2.354 -12.543 -5.941 1.00 0.00 H new ATOM 1468 N THR A 98 1.967 -12.451 -7.123 1.00 0.00 N ATOM 1469 CA THR A 98 2.553 -13.290 -8.167 1.00 0.00 C ATOM 1470 C THR A 98 2.802 -14.713 -7.657 1.00 0.00 C ATOM 1471 O THR A 98 2.405 -15.685 -8.302 1.00 0.00 O ATOM 1472 CB THR A 98 3.865 -12.680 -8.675 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.904 -11.280 -8.444 1.00 0.00 O ATOM 1474 CG2 THR A 98 4.089 -12.903 -10.156 1.00 0.00 C ATOM 0 H THR A 98 2.410 -12.547 -6.209 1.00 0.00 H new ATOM 0 HA THR A 98 1.842 -13.339 -8.992 1.00 0.00 H new ATOM 0 HB THR A 98 4.650 -13.189 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.752 -10.917 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.034 -12.448 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.121 -13.973 -10.362 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.274 -12.449 -10.720 1.00 0.00 H new