USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 33 HIS : no HD1:sc= -3.79 K(o=-9.2,f=-14!) USER MOD Set 1.2: A 91 GLN :FLIP amide:sc= -5.19 F(o=-11!,f=-9.2) USER MOD Set 1.3: A 92 GLN : amide:sc= -0.221 K(o=-9.2,f=-11!) USER MOD Single : A 19 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-7.7!) USER MOD Single : A 21 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= 1.13 (180deg=-0.107) USER MOD Single : A 25 SER OG : rot 73:sc= 1.04 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0534 F(o=-3.5!,f=-0.053) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.43) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.1!) USER MOD Single : A 39 CYS SG : rot -73:sc= 0.249! USER MOD Single : A 43 ASN : amide:sc= -5.66! C(o=-5.7!,f=-8.4!) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.08) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.55 F(o=-2.3!,f=-1.6) USER MOD Single : A 49 TYR OH : rot 100:sc= 1.06 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 59 CYS SG : rot -34:sc= -0.253 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 8:sc= 1.2 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= -5.64! (180deg=-8.1!) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.234 (180deg=-0.538) USER MOD Single : A 76 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.149 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -76:sc= 0.785 USER MOD Single : A 88 TYR OH : rot 150:sc= -0.573 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 18 -9.576 4.348 -0.348 1.00 0.69 N ATOM 82 CA PRO A 18 -9.463 4.012 -1.778 1.00 0.74 C ATOM 83 C PRO A 18 -8.070 3.577 -2.223 1.00 0.62 C ATOM 84 O PRO A 18 -7.945 2.761 -3.137 1.00 0.57 O ATOM 85 CB PRO A 18 -9.858 5.310 -2.493 1.00 0.95 C ATOM 86 CG PRO A 18 -9.727 6.382 -1.469 1.00 1.15 C ATOM 87 CD PRO A 18 -10.050 5.731 -0.159 1.00 0.84 C ATOM 0 HA PRO A 18 -10.093 3.153 -2.010 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -9.208 5.501 -3.347 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -10.878 5.254 -2.874 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -8.719 6.796 -1.462 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -10.409 7.207 -1.676 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -9.542 6.222 0.671 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -11.118 5.765 0.056 1.00 0.84 H new ATOM 95 N HIS A 19 -7.027 4.116 -1.596 1.00 0.68 N ATOM 96 CA HIS A 19 -5.663 3.767 -1.990 1.00 0.70 C ATOM 97 C HIS A 19 -5.384 2.334 -1.579 1.00 0.61 C ATOM 98 O HIS A 19 -4.864 1.540 -2.356 1.00 0.63 O ATOM 99 CB HIS A 19 -4.610 4.672 -1.341 1.00 0.95 C ATOM 100 CG HIS A 19 -4.764 6.140 -1.593 1.00 0.54 C ATOM 101 ND1 HIS A 19 -3.708 6.948 -1.934 1.00 1.09 N ATOM 102 CD2 HIS A 19 -5.839 6.955 -1.493 1.00 1.06 C ATOM 103 CE1 HIS A 19 -4.120 8.195 -2.032 1.00 1.26 C ATOM 104 NE2 HIS A 19 -5.414 8.230 -1.769 1.00 1.23 N ATOM 0 H HIS A 19 -7.096 4.783 -0.828 1.00 0.68 H new ATOM 0 HA HIS A 19 -5.594 3.897 -3.070 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.629 4.504 -0.264 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.626 4.364 -1.695 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -2.751 6.631 -2.088 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -6.846 6.657 -1.242 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -3.504 9.045 -2.285 1.00 1.26 H new ATOM 113 N ILE A 20 -5.785 2.010 -0.358 1.00 0.60 N ATOM 114 CA ILE A 20 -5.545 0.693 0.213 1.00 0.61 C ATOM 115 C ILE A 20 -6.150 -0.384 -0.677 1.00 0.55 C ATOM 116 O ILE A 20 -5.539 -1.427 -0.928 1.00 0.62 O ATOM 117 CB ILE A 20 -6.173 0.576 1.614 1.00 0.65 C ATOM 118 CG1 ILE A 20 -6.000 1.879 2.394 1.00 0.93 C ATOM 119 CG2 ILE A 20 -5.528 -0.563 2.375 1.00 1.21 C ATOM 120 CD1 ILE A 20 -6.739 1.901 3.712 1.00 0.90 C ATOM 0 H ILE A 20 -6.283 2.649 0.262 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.466 0.558 0.288 1.00 0.61 H new ATOM 0 HB ILE A 20 -7.239 0.378 1.498 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -4.939 2.042 2.580 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -6.347 2.709 1.779 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -5.977 -0.640 3.365 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -5.682 -1.496 1.833 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.459 -0.374 2.475 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -6.569 2.856 4.208 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -7.806 1.770 3.533 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -6.375 1.093 4.347 1.00 0.90 H new ATOM 132 N GLN A 21 -7.352 -0.110 -1.164 1.00 0.49 N ATOM 133 CA GLN A 21 -8.047 -1.026 -2.050 1.00 0.50 C ATOM 134 C GLN A 21 -7.315 -1.161 -3.382 1.00 0.50 C ATOM 135 O GLN A 21 -7.181 -2.264 -3.917 1.00 0.57 O ATOM 136 CB GLN A 21 -9.486 -0.567 -2.294 1.00 0.56 C ATOM 137 CG GLN A 21 -10.482 -1.039 -1.244 1.00 0.93 C ATOM 138 CD GLN A 21 -10.392 -0.296 0.081 1.00 1.00 C ATOM 139 OE1 GLN A 21 -11.078 0.707 0.291 1.00 1.72 O ATOM 140 NE2 GLN A 21 -9.564 -0.787 0.994 1.00 0.82 N ATOM 0 H GLN A 21 -7.867 0.746 -0.957 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.068 -2.000 -1.562 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.506 0.522 -2.333 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.809 -0.926 -3.271 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.491 -0.929 -1.641 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.325 -2.102 -1.063 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -9.011 -1.619 0.787 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -9.480 -0.333 1.903 1.00 0.82 H new ATOM 149 N LEU A 22 -6.837 -0.042 -3.916 1.00 0.51 N ATOM 150 CA LEU A 22 -6.185 -0.045 -5.211 1.00 0.54 C ATOM 151 C LEU A 22 -4.886 -0.842 -5.160 1.00 0.50 C ATOM 152 O LEU A 22 -4.633 -1.669 -6.035 1.00 0.49 O ATOM 153 CB LEU A 22 -5.955 1.396 -5.707 1.00 0.65 C ATOM 154 CG LEU A 22 -4.571 2.009 -5.464 1.00 1.06 C ATOM 155 CD1 LEU A 22 -3.602 1.642 -6.581 1.00 0.75 C ATOM 156 CD2 LEU A 22 -4.684 3.514 -5.332 1.00 1.93 C ATOM 0 H LEU A 22 -6.891 0.874 -3.470 1.00 0.51 H new ATOM 0 HA LEU A 22 -6.840 -0.537 -5.930 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -6.151 1.419 -6.779 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -6.697 2.039 -5.233 1.00 0.65 H new ATOM 0 HG LEU A 22 -4.176 1.601 -4.533 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -2.629 2.091 -6.381 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -3.498 0.558 -6.631 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -3.985 2.014 -7.531 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -3.695 3.939 -5.160 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -5.103 3.929 -6.249 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -5.335 3.758 -4.493 1.00 1.93 H new ATOM 168 N LEU A 23 -4.090 -0.627 -4.113 1.00 0.51 N ATOM 169 CA LEU A 23 -2.799 -1.280 -3.986 1.00 0.51 C ATOM 170 C LEU A 23 -2.930 -2.795 -3.981 1.00 0.46 C ATOM 171 O LEU A 23 -2.151 -3.476 -4.635 1.00 0.48 O ATOM 172 CB LEU A 23 -2.078 -0.816 -2.715 1.00 0.61 C ATOM 173 CG LEU A 23 -1.176 0.411 -2.884 1.00 0.73 C ATOM 174 CD1 LEU A 23 -1.985 1.682 -3.073 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.228 0.548 -1.698 1.00 1.03 C ATOM 0 H LEU A 23 -4.323 -0.002 -3.341 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.209 -0.995 -4.857 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -2.826 -0.594 -1.953 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.474 -1.641 -2.338 1.00 0.61 H new ATOM 0 HG LEU A 23 -0.585 0.262 -3.788 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -1.309 2.529 -3.189 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -2.607 1.589 -3.964 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -2.621 1.842 -2.202 1.00 1.47 H new ATOM 0 HD21 LEU A 23 0.404 1.425 -1.837 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -0.806 0.659 -0.781 1.00 1.03 H new ATOM 0 HD23 LEU A 23 0.397 -0.342 -1.627 1.00 1.03 H new ATOM 187 N LYS A 24 -3.909 -3.326 -3.256 1.00 0.45 N ATOM 188 CA LYS A 24 -4.092 -4.770 -3.193 1.00 0.46 C ATOM 189 C LYS A 24 -4.553 -5.341 -4.539 1.00 0.44 C ATOM 190 O LYS A 24 -4.213 -6.470 -4.890 1.00 0.49 O ATOM 191 CB LYS A 24 -5.019 -5.178 -2.029 1.00 0.51 C ATOM 192 CG LYS A 24 -6.512 -4.869 -2.183 1.00 0.53 C ATOM 193 CD LYS A 24 -7.249 -5.880 -3.066 1.00 1.12 C ATOM 194 CE LYS A 24 -6.928 -7.329 -2.701 1.00 1.24 C ATOM 195 NZ LYS A 24 -7.261 -7.658 -1.288 1.00 1.92 N ATOM 0 H LYS A 24 -4.580 -2.785 -2.710 1.00 0.45 H new ATOM 0 HA LYS A 24 -3.119 -5.214 -2.984 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.910 -6.251 -1.871 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.663 -4.685 -1.125 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.976 -4.851 -1.197 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.628 -3.872 -2.608 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -8.323 -5.717 -2.978 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -6.984 -5.706 -4.109 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -7.479 -7.996 -3.364 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -5.868 -7.515 -2.872 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -6.445 -8.118 -0.837 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -7.494 -6.784 -0.774 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -8.078 -8.301 -1.265 1.00 1.92 H new ATOM 209 N SER A 25 -5.336 -4.565 -5.282 1.00 0.43 N ATOM 210 CA SER A 25 -5.849 -5.012 -6.574 1.00 0.50 C ATOM 211 C SER A 25 -4.709 -5.230 -7.569 1.00 0.52 C ATOM 212 O SER A 25 -4.738 -6.165 -8.365 1.00 0.74 O ATOM 213 CB SER A 25 -6.858 -3.997 -7.116 1.00 0.55 C ATOM 214 OG SER A 25 -7.896 -3.769 -6.174 1.00 1.00 O ATOM 0 H SER A 25 -5.629 -3.626 -5.013 1.00 0.43 H new ATOM 0 HA SER A 25 -6.355 -5.967 -6.435 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.352 -3.058 -7.341 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.283 -4.362 -8.051 1.00 0.55 H new ATOM 0 HG SER A 25 -7.549 -3.239 -5.426 1.00 1.00 H new ATOM 220 N ASN A 26 -3.704 -4.373 -7.500 1.00 0.41 N ATOM 221 CA ASN A 26 -2.493 -4.539 -8.297 1.00 0.47 C ATOM 222 C ASN A 26 -1.298 -4.766 -7.379 1.00 0.45 C ATOM 223 O ASN A 26 -0.221 -4.201 -7.577 1.00 0.46 O ATOM 224 CB ASN A 26 -2.264 -3.327 -9.221 1.00 0.55 C ATOM 225 CG ASN A 26 -2.489 -1.978 -8.550 1.00 0.65 C ATOM 226 OD1 ASN A 26 -2.143 -1.861 -7.276 1.00 1.50 O flip ATOM 227 ND2 ASN A 26 -2.951 -1.033 -9.185 1.00 0.74 N flip ATOM 0 H ASN A 26 -3.700 -3.550 -6.898 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.613 -5.414 -8.936 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -1.244 -3.364 -9.604 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -2.930 -3.408 -10.080 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -3.208 -1.154 -10.165 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -3.077 -0.128 -8.733 1.00 0.74 H new ATOM 234 N ARG A 27 -1.505 -5.616 -6.380 1.00 0.46 N ATOM 235 CA ARG A 27 -0.519 -5.849 -5.333 1.00 0.50 C ATOM 236 C ARG A 27 0.776 -6.419 -5.900 1.00 0.48 C ATOM 237 O ARG A 27 1.855 -5.867 -5.688 1.00 0.54 O ATOM 238 CB ARG A 27 -1.102 -6.784 -4.262 1.00 0.57 C ATOM 239 CG ARG A 27 -1.553 -8.146 -4.784 1.00 1.30 C ATOM 240 CD ARG A 27 -2.259 -8.956 -3.710 1.00 2.15 C ATOM 241 NE ARG A 27 -1.741 -10.321 -3.627 1.00 3.26 N ATOM 242 CZ ARG A 27 -2.324 -11.380 -4.184 1.00 4.21 C ATOM 243 NH1 ARG A 27 -3.427 -11.239 -4.910 1.00 4.46 N ATOM 244 NH2 ARG A 27 -1.804 -12.590 -4.007 1.00 5.24 N ATOM 0 H ARG A 27 -2.360 -6.162 -6.274 1.00 0.46 H new ATOM 0 HA ARG A 27 -0.278 -4.890 -4.874 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -0.353 -6.937 -3.485 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -1.952 -6.290 -3.791 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -2.222 -8.006 -5.633 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -0.688 -8.701 -5.148 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -2.139 -8.463 -2.745 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -3.328 -8.986 -3.922 1.00 2.15 H new ATOM 0 HE ARG A 27 -0.876 -10.471 -3.108 1.00 3.26 H new ATOM 0 HH11 ARG A 27 -3.834 -10.314 -5.045 1.00 4.46 H new ATOM 0 HH12 ARG A 27 -3.867 -12.056 -5.333 1.00 4.46 H new ATOM 0 HH21 ARG A 27 -0.960 -12.705 -3.446 1.00 5.24 H new ATOM 0 HH22 ARG A 27 -2.249 -13.403 -4.433 1.00 5.24 H new ATOM 258 N GLU A 28 0.650 -7.507 -6.640 1.00 0.51 N ATOM 259 CA GLU A 28 1.794 -8.184 -7.239 1.00 0.59 C ATOM 260 C GLU A 28 2.545 -7.254 -8.191 1.00 0.55 C ATOM 261 O GLU A 28 3.772 -7.323 -8.304 1.00 0.60 O ATOM 262 CB GLU A 28 1.330 -9.458 -7.957 1.00 0.74 C ATOM 263 CG GLU A 28 -0.142 -9.432 -8.346 1.00 1.08 C ATOM 264 CD GLU A 28 -0.613 -10.726 -8.978 1.00 1.55 C ATOM 265 OE1 GLU A 28 -0.428 -10.897 -10.197 1.00 1.93 O ATOM 266 OE2 GLU A 28 -1.188 -11.569 -8.257 1.00 2.17 O ATOM 0 H GLU A 28 -0.247 -7.948 -6.844 1.00 0.51 H new ATOM 0 HA GLU A 28 2.488 -8.466 -6.447 1.00 0.59 H new ATOM 0 HB2 GLU A 28 1.933 -9.600 -8.854 1.00 0.74 H new ATOM 0 HB3 GLU A 28 1.512 -10.317 -7.311 1.00 0.74 H new ATOM 0 HG2 GLU A 28 -0.742 -9.228 -7.459 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.313 -8.611 -9.042 1.00 1.08 H new ATOM 273 N LEU A 29 1.806 -6.369 -8.851 1.00 0.51 N ATOM 274 CA LEU A 29 2.396 -5.408 -9.774 1.00 0.52 C ATOM 275 C LEU A 29 3.323 -4.437 -9.039 1.00 0.49 C ATOM 276 O LEU A 29 4.435 -4.168 -9.487 1.00 0.50 O ATOM 277 CB LEU A 29 1.297 -4.631 -10.504 1.00 0.54 C ATOM 278 CG LEU A 29 1.792 -3.609 -11.528 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.541 -4.300 -12.658 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.629 -2.794 -12.071 1.00 0.57 C ATOM 0 H LEU A 29 0.792 -6.298 -8.763 1.00 0.51 H new ATOM 0 HA LEU A 29 2.988 -5.961 -10.503 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.646 -5.343 -11.011 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.687 -4.113 -9.764 1.00 0.54 H new ATOM 0 HG LEU A 29 2.483 -2.929 -11.030 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.885 -3.555 -13.376 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.399 -4.835 -12.252 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.876 -5.005 -13.157 1.00 1.13 H new ATOM 0 HD21 LEU A 29 0.999 -2.072 -12.798 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.088 -3.459 -12.553 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.141 -2.266 -11.252 1.00 0.57 H new ATOM 292 N LEU A 30 2.863 -3.910 -7.912 1.00 0.50 N ATOM 293 CA LEU A 30 3.662 -2.966 -7.136 1.00 0.54 C ATOM 294 C LEU A 30 4.876 -3.647 -6.508 1.00 0.48 C ATOM 295 O LEU A 30 5.931 -3.028 -6.367 1.00 0.50 O ATOM 296 CB LEU A 30 2.820 -2.288 -6.051 1.00 0.68 C ATOM 297 CG LEU A 30 2.018 -1.054 -6.494 1.00 0.84 C ATOM 298 CD1 LEU A 30 1.147 -1.357 -7.704 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.163 -0.561 -5.339 1.00 1.04 C ATOM 0 H LEU A 30 1.947 -4.117 -7.515 1.00 0.50 H new ATOM 0 HA LEU A 30 4.017 -2.202 -7.828 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.124 -3.023 -5.647 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.482 -1.994 -5.236 1.00 0.68 H new ATOM 0 HG LEU A 30 2.723 -0.275 -6.785 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.595 -0.461 -7.988 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.777 -1.674 -8.535 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.445 -2.153 -7.457 1.00 0.91 H new ATOM 0 HD21 LEU A 30 0.595 0.314 -5.655 1.00 1.04 H new ATOM 0 HD22 LEU A 30 0.475 -1.349 -5.033 1.00 1.04 H new ATOM 0 HD23 LEU A 30 1.805 -0.294 -4.500 1.00 1.04 H new ATOM 311 N VAL A 31 4.729 -4.918 -6.145 1.00 0.45 N ATOM 312 CA VAL A 31 5.820 -5.664 -5.527 1.00 0.45 C ATOM 313 C VAL A 31 7.047 -5.695 -6.445 1.00 0.46 C ATOM 314 O VAL A 31 8.162 -5.367 -6.031 1.00 0.54 O ATOM 315 CB VAL A 31 5.402 -7.115 -5.193 1.00 0.45 C ATOM 316 CG1 VAL A 31 6.579 -7.906 -4.636 1.00 1.20 C ATOM 317 CG2 VAL A 31 4.247 -7.125 -4.206 1.00 1.29 C ATOM 0 H VAL A 31 3.868 -5.451 -6.268 1.00 0.45 H new ATOM 0 HA VAL A 31 6.070 -5.150 -4.599 1.00 0.45 H new ATOM 0 HB VAL A 31 5.075 -7.592 -6.117 1.00 0.45 H new ATOM 0 HG11 VAL A 31 6.259 -8.923 -4.409 1.00 1.20 H new ATOM 0 HG12 VAL A 31 7.381 -7.934 -5.374 1.00 1.20 H new ATOM 0 HG13 VAL A 31 6.941 -7.428 -3.726 1.00 1.20 H new ATOM 0 HG21 VAL A 31 3.967 -8.155 -3.984 1.00 1.29 H new ATOM 0 HG22 VAL A 31 4.550 -6.625 -3.286 1.00 1.29 H new ATOM 0 HG23 VAL A 31 3.394 -6.603 -4.639 1.00 1.29 H new ATOM 327 N THR A 32 6.825 -6.074 -7.699 1.00 0.45 N ATOM 328 CA THR A 32 7.898 -6.171 -8.686 1.00 0.51 C ATOM 329 C THR A 32 8.403 -4.790 -9.121 1.00 0.49 C ATOM 330 O THR A 32 9.569 -4.646 -9.491 1.00 0.55 O ATOM 331 CB THR A 32 7.466 -6.995 -9.923 1.00 0.58 C ATOM 332 OG1 THR A 32 8.575 -7.178 -10.811 1.00 0.71 O ATOM 333 CG2 THR A 32 6.325 -6.321 -10.674 1.00 0.59 C ATOM 0 H THR A 32 5.903 -6.321 -8.060 1.00 0.45 H new ATOM 0 HA THR A 32 8.720 -6.693 -8.197 1.00 0.51 H new ATOM 0 HB THR A 32 7.118 -7.964 -9.564 1.00 0.58 H new ATOM 0 HG1 THR A 32 8.289 -7.702 -11.588 1.00 0.71 H new ATOM 0 HG21 THR A 32 6.048 -6.928 -11.536 1.00 0.59 H new ATOM 0 HG22 THR A 32 5.465 -6.217 -10.012 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.644 -5.335 -11.012 1.00 0.59 H new ATOM 341 N HIS A 33 7.509 -3.792 -9.068 1.00 0.43 N ATOM 342 CA HIS A 33 7.765 -2.437 -9.591 1.00 0.45 C ATOM 343 C HIS A 33 9.177 -1.934 -9.314 1.00 0.51 C ATOM 344 O HIS A 33 9.811 -1.352 -10.192 1.00 0.68 O ATOM 345 CB HIS A 33 6.740 -1.447 -9.033 1.00 0.47 C ATOM 346 CG HIS A 33 5.559 -1.254 -9.937 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.381 -0.668 -9.527 1.00 1.27 N ATOM 348 CD2 HIS A 33 5.390 -1.548 -11.246 1.00 1.18 C ATOM 349 CE1 HIS A 33 3.543 -0.610 -10.545 1.00 1.03 C ATOM 350 NE2 HIS A 33 4.130 -1.139 -11.600 1.00 0.85 N ATOM 0 H HIS A 33 6.581 -3.900 -8.659 1.00 0.43 H new ATOM 0 HA HIS A 33 7.665 -2.507 -10.674 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.393 -1.800 -8.062 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.225 -0.485 -8.868 1.00 0.47 H new ATOM 0 HD2 HIS A 33 6.115 -2.019 -11.894 1.00 1.18 H new ATOM 0 HE1 HIS A 33 2.545 -0.199 -10.518 1.00 1.03 H new ATOM 0 HE2 HIS A 33 3.715 -1.229 -12.527 1.00 0.85 H new ATOM 359 N ILE A 34 9.668 -2.145 -8.106 1.00 0.51 N ATOM 360 CA ILE A 34 11.047 -1.807 -7.798 1.00 0.62 C ATOM 361 C ILE A 34 11.609 -2.747 -6.736 1.00 0.55 C ATOM 362 O ILE A 34 12.517 -3.522 -7.020 1.00 0.63 O ATOM 363 CB ILE A 34 11.216 -0.317 -7.382 1.00 0.85 C ATOM 364 CG1 ILE A 34 12.660 -0.024 -6.955 1.00 1.71 C ATOM 365 CG2 ILE A 34 10.242 0.072 -6.286 1.00 1.51 C ATOM 366 CD1 ILE A 34 13.668 -0.159 -8.077 1.00 2.62 C ATOM 0 H ILE A 34 9.140 -2.544 -7.330 1.00 0.51 H new ATOM 0 HA ILE A 34 11.623 -1.939 -8.714 1.00 0.62 H new ATOM 0 HB ILE A 34 10.989 0.292 -8.257 1.00 0.85 H new ATOM 0 HG12 ILE A 34 12.712 0.988 -6.552 1.00 1.71 H new ATOM 0 HG13 ILE A 34 12.935 -0.703 -6.148 1.00 1.71 H new ATOM 0 HG21 ILE A 34 10.390 1.119 -6.022 1.00 1.51 H new ATOM 0 HG22 ILE A 34 9.221 -0.072 -6.639 1.00 1.51 H new ATOM 0 HG23 ILE A 34 10.414 -0.551 -5.408 1.00 1.51 H new ATOM 0 HD11 ILE A 34 14.666 0.063 -7.699 1.00 2.62 H new ATOM 0 HD12 ILE A 34 13.646 -1.177 -8.465 1.00 2.62 H new ATOM 0 HD13 ILE A 34 13.419 0.540 -8.876 1.00 2.62 H new ATOM 378 N ARG A 35 11.043 -2.713 -5.535 1.00 0.67 N ATOM 379 CA ARG A 35 11.543 -3.545 -4.437 1.00 0.80 C ATOM 380 C ARG A 35 10.423 -3.923 -3.477 1.00 0.71 C ATOM 381 O ARG A 35 10.521 -4.929 -2.778 1.00 0.79 O ATOM 382 CB ARG A 35 12.656 -2.825 -3.665 1.00 1.03 C ATOM 383 CG ARG A 35 13.982 -2.729 -4.414 1.00 1.54 C ATOM 384 CD ARG A 35 14.859 -3.963 -4.211 1.00 1.54 C ATOM 385 NE ARG A 35 14.240 -5.205 -4.689 1.00 1.79 N ATOM 386 CZ ARG A 35 14.561 -5.808 -5.837 1.00 2.43 C ATOM 387 NH1 ARG A 35 15.447 -5.255 -6.659 1.00 2.85 N ATOM 388 NH2 ARG A 35 14.001 -6.970 -6.157 1.00 3.25 N ATOM 0 H ARG A 35 10.245 -2.125 -5.294 1.00 0.67 H new ATOM 0 HA ARG A 35 11.948 -4.455 -4.880 1.00 0.80 H new ATOM 0 HB2 ARG A 35 12.318 -1.818 -3.419 1.00 1.03 H new ATOM 0 HB3 ARG A 35 12.822 -3.345 -2.722 1.00 1.03 H new ATOM 0 HG2 ARG A 35 13.786 -2.598 -5.478 1.00 1.54 H new ATOM 0 HG3 ARG A 35 14.522 -1.844 -4.078 1.00 1.54 H new ATOM 0 HD2 ARG A 35 15.806 -3.815 -4.730 1.00 1.54 H new ATOM 0 HD3 ARG A 35 15.089 -4.065 -3.150 1.00 1.54 H new ATOM 0 HE ARG A 35 13.520 -5.635 -4.108 1.00 1.79 H new ATOM 0 HH11 ARG A 35 15.885 -4.367 -6.414 1.00 2.85 H new ATOM 0 HH12 ARG A 35 15.689 -5.719 -7.535 1.00 2.85 H new ATOM 0 HH21 ARG A 35 13.326 -7.402 -5.526 1.00 3.25 H new ATOM 0 HH22 ARG A 35 14.246 -7.430 -7.034 1.00 3.25 H new ATOM 402 N ASN A 36 9.378 -3.092 -3.428 1.00 0.62 N ATOM 403 CA ASN A 36 8.209 -3.318 -2.566 1.00 0.60 C ATOM 404 C ASN A 36 8.518 -3.026 -1.092 1.00 0.64 C ATOM 405 O ASN A 36 7.780 -2.301 -0.439 1.00 1.01 O ATOM 406 CB ASN A 36 7.663 -4.745 -2.724 1.00 0.69 C ATOM 407 CG ASN A 36 6.600 -5.091 -1.696 1.00 0.79 C ATOM 408 OD1 ASN A 36 5.428 -4.764 -1.866 1.00 1.26 O ATOM 409 ND2 ASN A 36 6.997 -5.785 -0.640 1.00 1.53 N ATOM 0 H ASN A 36 9.316 -2.240 -3.986 1.00 0.62 H new ATOM 0 HA ASN A 36 7.440 -2.617 -2.891 1.00 0.60 H new ATOM 0 HB2 ASN A 36 7.244 -4.859 -3.724 1.00 0.69 H new ATOM 0 HB3 ASN A 36 8.486 -5.454 -2.640 1.00 0.69 H new ATOM 0 HD21 ASN A 36 6.320 -6.067 0.069 1.00 1.53 H new ATOM 0 HD22 ASN A 36 7.980 -6.037 -0.535 1.00 1.53 H new ATOM 416 N THR A 37 9.630 -3.569 -0.601 1.00 0.61 N ATOM 417 CA THR A 37 10.011 -3.503 0.813 1.00 0.65 C ATOM 418 C THR A 37 9.864 -2.097 1.417 1.00 0.54 C ATOM 419 O THR A 37 9.502 -1.951 2.581 1.00 0.46 O ATOM 420 CB THR A 37 11.469 -3.973 0.978 1.00 0.79 C ATOM 421 OG1 THR A 37 11.678 -5.155 0.189 1.00 1.15 O ATOM 422 CG2 THR A 37 11.794 -4.268 2.436 1.00 1.47 C ATOM 0 H THR A 37 10.302 -4.074 -1.179 1.00 0.61 H new ATOM 0 HA THR A 37 9.326 -4.158 1.352 1.00 0.65 H new ATOM 0 HB THR A 37 12.129 -3.174 0.640 1.00 0.79 H new ATOM 0 HG1 THR A 37 12.605 -5.456 0.290 1.00 1.15 H new ATOM 0 HG21 THR A 37 12.830 -4.597 2.518 1.00 1.47 H new ATOM 0 HG22 THR A 37 11.652 -3.365 3.030 1.00 1.47 H new ATOM 0 HG23 THR A 37 11.133 -5.053 2.804 1.00 1.47 H new ATOM 430 N GLN A 38 10.126 -1.069 0.626 1.00 0.58 N ATOM 431 CA GLN A 38 10.101 0.302 1.126 1.00 0.56 C ATOM 432 C GLN A 38 8.707 0.725 1.607 1.00 0.50 C ATOM 433 O GLN A 38 8.581 1.545 2.518 1.00 0.47 O ATOM 434 CB GLN A 38 10.599 1.261 0.050 1.00 0.68 C ATOM 435 CG GLN A 38 12.027 0.981 -0.390 1.00 0.95 C ATOM 436 CD GLN A 38 13.013 0.990 0.766 1.00 1.16 C ATOM 437 OE1 GLN A 38 12.816 1.682 1.761 1.00 1.88 O ATOM 438 NE2 GLN A 38 14.085 0.227 0.640 1.00 1.52 N ATOM 0 H GLN A 38 10.358 -1.154 -0.364 1.00 0.58 H new ATOM 0 HA GLN A 38 10.765 0.343 1.989 1.00 0.56 H new ATOM 0 HB2 GLN A 38 9.940 1.198 -0.816 1.00 0.68 H new ATOM 0 HB3 GLN A 38 10.535 2.282 0.425 1.00 0.68 H new ATOM 0 HG2 GLN A 38 12.066 0.011 -0.887 1.00 0.95 H new ATOM 0 HG3 GLN A 38 12.329 1.728 -1.125 1.00 0.95 H new ATOM 0 HE21 GLN A 38 14.215 -0.335 -0.201 1.00 1.52 H new ATOM 0 HE22 GLN A 38 14.782 0.200 1.384 1.00 1.52 H new ATOM 447 N CYS A 39 7.667 0.157 1.014 1.00 0.53 N ATOM 448 CA CYS A 39 6.307 0.588 1.312 1.00 0.55 C ATOM 449 C CYS A 39 5.895 0.189 2.734 1.00 0.46 C ATOM 450 O CYS A 39 5.420 1.011 3.522 1.00 0.47 O ATOM 451 CB CYS A 39 5.338 -0.017 0.282 1.00 0.66 C ATOM 452 SG CYS A 39 5.064 -1.799 0.431 1.00 1.48 S ATOM 0 H CYS A 39 7.736 -0.596 0.330 1.00 0.53 H new ATOM 0 HA CYS A 39 6.268 1.676 1.251 1.00 0.55 H new ATOM 0 HB2 CYS A 39 4.377 0.490 0.370 1.00 0.66 H new ATOM 0 HB3 CYS A 39 5.719 0.193 -0.718 1.00 0.66 H new ATOM 0 HG CYS A 39 6.118 -2.436 0.016 1.00 1.48 H new ATOM 458 N LEU A 40 6.124 -1.067 3.057 1.00 0.40 N ATOM 459 CA LEU A 40 5.706 -1.630 4.327 1.00 0.37 C ATOM 460 C LEU A 40 6.538 -1.114 5.493 1.00 0.28 C ATOM 461 O LEU A 40 6.016 -0.923 6.587 1.00 0.30 O ATOM 462 CB LEU A 40 5.715 -3.155 4.245 1.00 0.40 C ATOM 463 CG LEU A 40 6.798 -3.754 3.340 1.00 0.39 C ATOM 464 CD1 LEU A 40 8.073 -4.002 4.125 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.315 -5.045 2.703 1.00 0.48 C ATOM 0 H LEU A 40 6.605 -1.728 2.447 1.00 0.40 H new ATOM 0 HA LEU A 40 4.686 -1.300 4.525 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.842 -3.556 5.251 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.741 -3.489 3.889 1.00 0.40 H new ATOM 0 HG LEU A 40 7.010 -3.036 2.547 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.829 -4.427 3.465 1.00 0.45 H new ATOM 0 HD12 LEU A 40 8.437 -3.060 4.535 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.869 -4.697 4.939 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.100 -5.452 2.065 1.00 0.48 H new ATOM 0 HD22 LEU A 40 6.071 -5.766 3.483 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.427 -4.845 2.103 1.00 0.48 H new ATOM 477 N VAL A 41 7.827 -0.903 5.270 1.00 0.24 N ATOM 478 CA VAL A 41 8.707 -0.444 6.338 1.00 0.23 C ATOM 479 C VAL A 41 8.322 0.944 6.835 1.00 0.24 C ATOM 480 O VAL A 41 8.290 1.178 8.041 1.00 0.26 O ATOM 481 CB VAL A 41 10.187 -0.450 5.923 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.708 -1.872 5.799 1.00 0.31 C ATOM 483 CG2 VAL A 41 10.376 0.295 4.620 1.00 0.33 C ATOM 0 H VAL A 41 8.285 -1.040 4.369 1.00 0.24 H new ATOM 0 HA VAL A 41 8.579 -1.157 7.152 1.00 0.23 H new ATOM 0 HB VAL A 41 10.759 0.057 6.700 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.757 -1.851 5.504 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.611 -2.380 6.758 1.00 0.31 H new ATOM 0 HG13 VAL A 41 10.130 -2.407 5.045 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.430 0.280 4.342 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.788 -0.185 3.838 1.00 0.33 H new ATOM 0 HG23 VAL A 41 10.047 1.327 4.740 1.00 0.33 H new ATOM 493 N ASP A 42 8.024 1.864 5.922 1.00 0.27 N ATOM 494 CA ASP A 42 7.587 3.195 6.329 1.00 0.32 C ATOM 495 C ASP A 42 6.245 3.101 7.039 1.00 0.30 C ATOM 496 O ASP A 42 5.947 3.893 7.929 1.00 0.31 O ATOM 497 CB ASP A 42 7.513 4.153 5.139 1.00 0.42 C ATOM 498 CG ASP A 42 7.630 5.606 5.570 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.761 6.101 5.736 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.583 6.265 5.742 1.00 1.82 O ATOM 0 H ASP A 42 8.076 1.717 4.914 1.00 0.27 H new ATOM 0 HA ASP A 42 8.325 3.602 7.020 1.00 0.32 H new ATOM 0 HB2 ASP A 42 8.311 3.918 4.434 1.00 0.42 H new ATOM 0 HB3 ASP A 42 6.570 4.006 4.613 1.00 0.42 H new ATOM 505 N ASN A 43 5.451 2.101 6.673 1.00 0.31 N ATOM 506 CA ASN A 43 4.187 1.864 7.324 1.00 0.34 C ATOM 507 C ASN A 43 4.421 1.304 8.724 1.00 0.30 C ATOM 508 O ASN A 43 3.714 1.634 9.675 1.00 0.33 O ATOM 509 CB ASN A 43 3.362 0.890 6.479 1.00 0.42 C ATOM 510 CG ASN A 43 2.334 0.155 7.300 1.00 0.73 C ATOM 511 OD1 ASN A 43 1.184 0.570 7.411 1.00 0.98 O ATOM 512 ND2 ASN A 43 2.757 -0.945 7.889 1.00 1.10 N ATOM 0 H ASN A 43 5.670 1.444 5.924 1.00 0.31 H new ATOM 0 HA ASN A 43 3.638 2.801 7.420 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.862 1.438 5.680 1.00 0.42 H new ATOM 0 HB3 ASN A 43 4.028 0.170 6.004 1.00 0.42 H new ATOM 0 HD21 ASN A 43 2.119 -1.492 8.467 1.00 1.10 H new ATOM 0 HD22 ASN A 43 3.723 -1.250 7.767 1.00 1.10 H new ATOM 519 N LEU A 44 5.445 0.470 8.847 1.00 0.28 N ATOM 520 CA LEU A 44 5.712 -0.222 10.097 1.00 0.31 C ATOM 521 C LEU A 44 6.344 0.747 11.066 1.00 0.34 C ATOM 522 O LEU A 44 6.155 0.664 12.273 1.00 0.48 O ATOM 523 CB LEU A 44 6.575 -1.484 9.880 1.00 0.34 C ATOM 524 CG LEU A 44 8.091 -1.311 9.675 1.00 0.81 C ATOM 525 CD1 LEU A 44 8.813 -1.081 10.992 1.00 0.61 C ATOM 526 CD2 LEU A 44 8.667 -2.538 9.004 1.00 1.93 C ATOM 0 H LEU A 44 6.102 0.258 8.097 1.00 0.28 H new ATOM 0 HA LEU A 44 4.773 -0.578 10.521 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.429 -2.137 10.740 1.00 0.34 H new ATOM 0 HB3 LEU A 44 6.181 -2.010 9.010 1.00 0.34 H new ATOM 0 HG LEU A 44 8.237 -0.435 9.044 1.00 0.81 H new ATOM 0 HD11 LEU A 44 9.881 -0.964 10.806 1.00 0.61 H new ATOM 0 HD12 LEU A 44 8.426 -0.179 11.466 1.00 0.61 H new ATOM 0 HD13 LEU A 44 8.651 -1.935 11.650 1.00 0.61 H new ATOM 0 HD21 LEU A 44 9.740 -2.406 8.863 1.00 1.93 H new ATOM 0 HD22 LEU A 44 8.488 -3.413 9.629 1.00 1.93 H new ATOM 0 HD23 LEU A 44 8.189 -2.681 8.035 1.00 1.93 H new ATOM 538 N LEU A 45 7.114 1.658 10.505 1.00 0.33 N ATOM 539 CA LEU A 45 7.619 2.798 11.234 1.00 0.47 C ATOM 540 C LEU A 45 6.442 3.614 11.782 1.00 0.44 C ATOM 541 O LEU A 45 6.461 4.063 12.929 1.00 0.50 O ATOM 542 CB LEU A 45 8.524 3.604 10.271 1.00 0.66 C ATOM 543 CG LEU A 45 8.832 5.069 10.606 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.641 5.956 10.281 1.00 0.77 C ATOM 545 CD2 LEU A 45 9.255 5.228 12.061 1.00 1.28 C ATOM 0 H LEU A 45 7.406 1.626 9.528 1.00 0.33 H new ATOM 0 HA LEU A 45 8.216 2.503 12.097 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.474 3.076 10.190 1.00 0.66 H new ATOM 0 HB3 LEU A 45 8.061 3.580 9.284 1.00 0.66 H new ATOM 0 HG LEU A 45 9.670 5.386 9.986 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.880 6.991 10.526 1.00 0.77 H new ATOM 0 HD12 LEU A 45 7.409 5.879 9.219 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.778 5.635 10.865 1.00 0.77 H new ATOM 0 HD21 LEU A 45 9.466 6.278 12.266 1.00 1.28 H new ATOM 0 HD22 LEU A 45 8.452 4.885 12.713 1.00 1.28 H new ATOM 0 HD23 LEU A 45 10.151 4.635 12.246 1.00 1.28 H new ATOM 557 N LYS A 46 5.406 3.765 10.965 1.00 0.40 N ATOM 558 CA LYS A 46 4.261 4.594 11.318 1.00 0.46 C ATOM 559 C LYS A 46 3.372 3.946 12.384 1.00 0.47 C ATOM 560 O LYS A 46 2.881 4.635 13.278 1.00 0.59 O ATOM 561 CB LYS A 46 3.434 4.903 10.067 1.00 0.48 C ATOM 562 CG LYS A 46 3.549 6.342 9.591 1.00 0.80 C ATOM 563 CD LYS A 46 4.845 6.573 8.836 1.00 1.37 C ATOM 564 CE LYS A 46 5.000 8.015 8.395 1.00 1.51 C ATOM 565 NZ LYS A 46 6.174 8.192 7.502 1.00 2.32 N ATOM 0 H LYS A 46 5.336 3.321 10.049 1.00 0.40 H new ATOM 0 HA LYS A 46 4.652 5.518 11.743 1.00 0.46 H new ATOM 0 HB2 LYS A 46 3.749 4.238 9.262 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.387 4.681 10.272 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.703 6.583 8.947 1.00 0.80 H new ATOM 0 HG3 LYS A 46 3.500 7.015 10.447 1.00 0.80 H new ATOM 0 HD2 LYS A 46 5.687 6.296 9.470 1.00 1.37 H new ATOM 0 HD3 LYS A 46 4.876 5.922 7.962 1.00 1.37 H new ATOM 0 HE2 LYS A 46 4.097 8.336 7.877 1.00 1.51 H new ATOM 0 HE3 LYS A 46 5.109 8.654 9.271 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 6.109 9.112 7.021 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 7.047 8.157 8.066 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 6.189 7.431 6.793 1.00 2.32 H new ATOM 579 N ASN A 47 3.168 2.634 12.304 1.00 0.39 N ATOM 580 CA ASN A 47 2.251 1.958 13.229 1.00 0.45 C ATOM 581 C ASN A 47 2.990 1.207 14.333 1.00 0.42 C ATOM 582 O ASN A 47 2.394 0.803 15.325 1.00 0.51 O ATOM 583 CB ASN A 47 1.338 0.996 12.472 1.00 0.47 C ATOM 584 CG ASN A 47 0.317 1.721 11.620 1.00 0.62 C ATOM 585 OD1 ASN A 47 -0.828 2.028 12.206 1.00 1.08 O flip ATOM 586 ND2 ASN A 47 0.559 2.015 10.453 1.00 1.37 N flip ATOM 0 H ASN A 47 3.615 2.022 11.621 1.00 0.39 H new ATOM 0 HA ASN A 47 1.650 2.735 13.702 1.00 0.45 H new ATOM 0 HB2 ASN A 47 1.943 0.348 11.837 1.00 0.47 H new ATOM 0 HB3 ASN A 47 0.822 0.352 13.184 1.00 0.47 H new ATOM 0 HD21 ASN A 47 1.455 1.760 10.038 1.00 1.37 H new ATOM 0 HD22 ASN A 47 -0.136 2.515 9.898 1.00 1.37 H new ATOM 593 N ASP A 48 4.289 1.029 14.137 1.00 0.37 N ATOM 594 CA ASP A 48 5.190 0.442 15.138 1.00 0.43 C ATOM 595 C ASP A 48 4.778 -0.975 15.574 1.00 0.42 C ATOM 596 O ASP A 48 5.081 -1.399 16.688 1.00 0.51 O ATOM 597 CB ASP A 48 5.310 1.366 16.357 1.00 0.58 C ATOM 598 CG ASP A 48 6.496 1.016 17.237 1.00 1.13 C ATOM 599 OD1 ASP A 48 7.646 1.059 16.747 1.00 1.12 O ATOM 600 OD2 ASP A 48 6.282 0.707 18.429 1.00 1.90 O ATOM 0 H ASP A 48 4.759 1.289 13.270 1.00 0.37 H new ATOM 0 HA ASP A 48 6.163 0.344 14.657 1.00 0.43 H new ATOM 0 HB2 ASP A 48 5.405 2.398 16.019 1.00 0.58 H new ATOM 0 HB3 ASP A 48 4.395 1.306 16.946 1.00 0.58 H new ATOM 605 N TYR A 49 4.106 -1.718 14.693 1.00 0.42 N ATOM 606 CA TYR A 49 3.871 -3.147 14.930 1.00 0.59 C ATOM 607 C TYR A 49 3.310 -3.839 13.693 1.00 0.69 C ATOM 608 O TYR A 49 3.404 -5.056 13.571 1.00 1.34 O ATOM 609 CB TYR A 49 2.983 -3.416 16.159 1.00 0.72 C ATOM 610 CG TYR A 49 1.515 -3.075 16.010 1.00 0.77 C ATOM 611 CD1 TYR A 49 1.038 -1.810 16.335 1.00 0.71 C ATOM 612 CD2 TYR A 49 0.613 -4.004 15.507 1.00 1.04 C ATOM 613 CE1 TYR A 49 -0.292 -1.483 16.164 1.00 0.85 C ATOM 614 CE2 TYR A 49 -0.720 -3.687 15.340 1.00 1.22 C ATOM 615 CZ TYR A 49 -1.193 -2.476 15.805 1.00 1.11 C ATOM 616 OH TYR A 49 -2.492 -2.097 15.487 1.00 1.33 O ATOM 0 H TYR A 49 3.719 -1.362 13.819 1.00 0.42 H new ATOM 0 HA TYR A 49 4.849 -3.577 15.148 1.00 0.59 H new ATOM 0 HB2 TYR A 49 3.065 -4.472 16.417 1.00 0.72 H new ATOM 0 HB3 TYR A 49 3.382 -2.850 17.001 1.00 0.72 H new ATOM 0 HD1 TYR A 49 1.720 -1.071 16.728 1.00 0.71 H new ATOM 0 HD2 TYR A 49 0.961 -4.992 15.242 1.00 1.04 H new ATOM 0 HE1 TYR A 49 -0.628 -0.467 16.308 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -1.387 -4.380 14.850 1.00 1.22 H new ATOM 0 HH TYR A 49 -2.592 -2.056 14.513 1.00 1.33 H new ATOM 626 N PHE A 50 2.728 -3.066 12.778 1.00 0.47 N ATOM 627 CA PHE A 50 2.388 -3.572 11.443 1.00 0.47 C ATOM 628 C PHE A 50 3.656 -3.695 10.617 1.00 0.47 C ATOM 629 O PHE A 50 3.769 -3.168 9.510 1.00 0.62 O ATOM 630 CB PHE A 50 1.390 -2.642 10.757 1.00 0.53 C ATOM 631 CG PHE A 50 -0.002 -2.795 11.277 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.670 -4.000 11.141 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.641 -1.742 11.905 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.953 -4.148 11.624 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.923 -1.885 12.390 1.00 0.92 C ATOM 636 CZ PHE A 50 -2.580 -3.090 12.249 1.00 0.93 C ATOM 0 H PHE A 50 2.481 -2.089 12.933 1.00 0.47 H new ATOM 0 HA PHE A 50 1.923 -4.554 11.537 1.00 0.47 H new ATOM 0 HB2 PHE A 50 1.711 -1.609 10.893 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.395 -2.839 9.685 1.00 0.53 H new ATOM 0 HD1 PHE A 50 -0.182 -4.831 10.653 1.00 0.67 H new ATOM 0 HD2 PHE A 50 -0.130 -0.797 12.017 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -2.467 -5.092 11.513 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -2.412 -1.056 12.879 1.00 0.92 H new ATOM 0 HZ PHE A 50 -3.585 -3.205 12.628 1.00 0.93 H new ATOM 646 N SER A 51 4.606 -4.390 11.194 1.00 0.45 N ATOM 647 CA SER A 51 5.922 -4.537 10.640 1.00 0.55 C ATOM 648 C SER A 51 6.059 -5.866 9.932 1.00 0.59 C ATOM 649 O SER A 51 5.097 -6.624 9.844 1.00 0.54 O ATOM 650 CB SER A 51 6.959 -4.409 11.749 1.00 0.62 C ATOM 651 OG SER A 51 6.615 -5.222 12.854 1.00 0.76 O ATOM 0 H SER A 51 4.479 -4.878 12.081 1.00 0.45 H new ATOM 0 HA SER A 51 6.088 -3.749 9.905 1.00 0.55 H new ATOM 0 HB2 SER A 51 7.940 -4.697 11.371 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.033 -3.369 12.066 1.00 0.62 H new ATOM 0 HG SER A 51 7.294 -5.127 13.554 1.00 0.76 H new ATOM 657 N ALA A 52 7.239 -6.125 9.407 1.00 0.72 N ATOM 658 CA ALA A 52 7.534 -7.389 8.747 1.00 0.76 C ATOM 659 C ALA A 52 7.142 -8.589 9.612 1.00 0.71 C ATOM 660 O ALA A 52 6.766 -9.625 9.085 1.00 0.68 O ATOM 661 CB ALA A 52 9.011 -7.467 8.393 1.00 0.94 C ATOM 0 H ALA A 52 8.021 -5.470 9.423 1.00 0.72 H new ATOM 0 HA ALA A 52 6.939 -7.427 7.835 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.217 -8.417 7.900 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.268 -6.647 7.722 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.607 -7.393 9.302 1.00 0.94 H new ATOM 667 N GLU A 53 7.220 -8.450 10.932 1.00 0.76 N ATOM 668 CA GLU A 53 6.840 -9.539 11.832 1.00 0.79 C ATOM 669 C GLU A 53 5.334 -9.813 11.770 1.00 0.67 C ATOM 670 O GLU A 53 4.915 -10.955 11.584 1.00 0.67 O ATOM 671 CB GLU A 53 7.259 -9.204 13.262 1.00 0.92 C ATOM 672 CG GLU A 53 8.765 -9.105 13.442 1.00 1.56 C ATOM 673 CD GLU A 53 9.460 -10.429 13.218 1.00 2.33 C ATOM 674 OE1 GLU A 53 9.795 -10.733 12.058 1.00 3.00 O ATOM 675 OE2 GLU A 53 9.685 -11.167 14.201 1.00 2.87 O ATOM 0 H GLU A 53 7.540 -7.603 11.401 1.00 0.76 H new ATOM 0 HA GLU A 53 7.357 -10.443 11.509 1.00 0.79 H new ATOM 0 HB2 GLU A 53 6.803 -8.258 13.554 1.00 0.92 H new ATOM 0 HB3 GLU A 53 6.869 -9.968 13.935 1.00 0.92 H new ATOM 0 HG2 GLU A 53 9.164 -8.366 12.747 1.00 1.56 H new ATOM 0 HG3 GLU A 53 8.985 -8.748 14.448 1.00 1.56 H new ATOM 682 N ASP A 54 4.528 -8.759 11.885 1.00 0.59 N ATOM 683 CA ASP A 54 3.071 -8.881 11.762 1.00 0.53 C ATOM 684 C ASP A 54 2.707 -9.301 10.349 1.00 0.41 C ATOM 685 O ASP A 54 1.867 -10.177 10.127 1.00 0.38 O ATOM 686 CB ASP A 54 2.395 -7.548 12.116 1.00 0.54 C ATOM 687 CG ASP A 54 1.094 -7.309 11.366 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.060 -7.899 11.736 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.108 -6.523 10.390 1.00 0.65 O ATOM 0 H ASP A 54 4.856 -7.810 12.063 1.00 0.59 H new ATOM 0 HA ASP A 54 2.718 -9.642 12.458 1.00 0.53 H new ATOM 0 HB2 ASP A 54 2.197 -7.524 13.188 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.084 -6.732 11.901 1.00 0.54 H new ATOM 694 N ALA A 55 3.383 -8.680 9.399 1.00 0.39 N ATOM 695 CA ALA A 55 3.216 -8.984 7.997 1.00 0.35 C ATOM 696 C ALA A 55 3.523 -10.455 7.702 1.00 0.33 C ATOM 697 O ALA A 55 2.726 -11.139 7.070 1.00 0.36 O ATOM 698 CB ALA A 55 4.103 -8.070 7.148 1.00 0.43 C ATOM 0 H ALA A 55 4.067 -7.946 9.584 1.00 0.39 H new ATOM 0 HA ALA A 55 2.173 -8.806 7.737 1.00 0.35 H new ATOM 0 HB1 ALA A 55 3.968 -8.309 6.093 1.00 0.43 H new ATOM 0 HB2 ALA A 55 3.826 -7.030 7.323 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.147 -8.219 7.423 1.00 0.43 H new ATOM 704 N GLU A 56 4.651 -10.942 8.199 1.00 0.36 N ATOM 705 CA GLU A 56 5.106 -12.303 7.913 1.00 0.41 C ATOM 706 C GLU A 56 4.113 -13.347 8.420 1.00 0.35 C ATOM 707 O GLU A 56 3.824 -14.324 7.727 1.00 0.38 O ATOM 708 CB GLU A 56 6.485 -12.539 8.543 1.00 0.56 C ATOM 709 CG GLU A 56 7.101 -13.892 8.226 1.00 0.96 C ATOM 710 CD GLU A 56 7.311 -14.119 6.740 1.00 1.60 C ATOM 711 OE1 GLU A 56 8.134 -13.394 6.140 1.00 1.81 O ATOM 712 OE2 GLU A 56 6.645 -15.004 6.167 1.00 2.44 O ATOM 0 H GLU A 56 5.275 -10.413 8.808 1.00 0.36 H new ATOM 0 HA GLU A 56 5.178 -12.410 6.831 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.164 -11.757 8.204 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.398 -12.438 9.625 1.00 0.56 H new ATOM 0 HG2 GLU A 56 8.059 -13.977 8.739 1.00 0.96 H new ATOM 0 HG3 GLU A 56 6.457 -14.679 8.620 1.00 0.96 H new ATOM 719 N ILE A 57 3.578 -13.136 9.613 1.00 0.35 N ATOM 720 CA ILE A 57 2.693 -14.124 10.221 1.00 0.40 C ATOM 721 C ILE A 57 1.394 -14.265 9.431 1.00 0.38 C ATOM 722 O ILE A 57 0.990 -15.371 9.067 1.00 0.45 O ATOM 723 CB ILE A 57 2.355 -13.769 11.688 1.00 0.48 C ATOM 724 CG1 ILE A 57 3.634 -13.553 12.501 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.501 -14.857 12.325 1.00 0.58 C ATOM 726 CD1 ILE A 57 4.664 -14.649 12.336 1.00 0.67 C ATOM 0 H ILE A 57 3.737 -12.300 10.176 1.00 0.35 H new ATOM 0 HA ILE A 57 3.231 -15.072 10.204 1.00 0.40 H new ATOM 0 HB ILE A 57 1.784 -12.840 11.687 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.081 -12.603 12.209 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.372 -13.472 13.556 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.276 -14.586 13.356 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.571 -14.963 11.766 1.00 0.58 H new ATOM 0 HG23 ILE A 57 2.044 -15.802 12.309 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.539 -14.420 12.944 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.238 -15.600 12.656 1.00 0.67 H new ATOM 0 HD13 ILE A 57 4.958 -14.717 11.289 1.00 0.67 H new ATOM 738 N VAL A 58 0.749 -13.142 9.160 1.00 0.35 N ATOM 739 CA VAL A 58 -0.529 -13.143 8.460 1.00 0.42 C ATOM 740 C VAL A 58 -0.370 -13.492 6.976 1.00 0.45 C ATOM 741 O VAL A 58 -1.213 -14.187 6.404 1.00 0.55 O ATOM 742 CB VAL A 58 -1.257 -11.791 8.607 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.620 -11.832 7.926 1.00 0.56 C ATOM 744 CG2 VAL A 58 -1.406 -11.422 10.077 1.00 0.43 C ATOM 0 H VAL A 58 1.089 -12.215 9.414 1.00 0.35 H new ATOM 0 HA VAL A 58 -1.136 -13.918 8.928 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.655 -11.026 8.117 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -3.114 -10.868 8.043 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -2.490 -12.047 6.865 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -3.231 -12.611 8.382 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.922 -10.465 10.162 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.983 -12.192 10.589 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -0.420 -11.344 10.534 1.00 0.43 H new ATOM 754 N CYS A 59 0.722 -13.018 6.366 1.00 0.41 N ATOM 755 CA CYS A 59 0.945 -13.154 4.920 1.00 0.48 C ATOM 756 C CYS A 59 0.936 -14.609 4.461 1.00 0.55 C ATOM 757 O CYS A 59 0.719 -14.881 3.285 1.00 0.63 O ATOM 758 CB CYS A 59 2.264 -12.497 4.493 1.00 0.52 C ATOM 759 SG CYS A 59 3.755 -13.423 4.934 1.00 0.92 S ATOM 0 H CYS A 59 1.473 -12.532 6.856 1.00 0.41 H new ATOM 0 HA CYS A 59 0.112 -12.640 4.440 1.00 0.48 H new ATOM 0 HB2 CYS A 59 2.249 -12.355 3.412 1.00 0.52 H new ATOM 0 HB3 CYS A 59 2.322 -11.507 4.944 1.00 0.52 H new ATOM 0 HG CYS A 59 3.564 -14.042 6.061 1.00 0.92 H new ATOM 765 N ALA A 60 1.200 -15.531 5.387 1.00 0.54 N ATOM 766 CA ALA A 60 1.299 -16.961 5.080 1.00 0.64 C ATOM 767 C ALA A 60 0.133 -17.471 4.222 1.00 0.70 C ATOM 768 O ALA A 60 0.276 -18.467 3.512 1.00 0.78 O ATOM 769 CB ALA A 60 1.389 -17.760 6.372 1.00 0.67 C ATOM 0 H ALA A 60 1.351 -15.309 6.371 1.00 0.54 H new ATOM 0 HA ALA A 60 2.205 -17.100 4.491 1.00 0.64 H new ATOM 0 HB1 ALA A 60 1.462 -18.822 6.139 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.272 -17.450 6.931 1.00 0.67 H new ATOM 0 HB3 ALA A 60 0.497 -17.581 6.973 1.00 0.67 H new ATOM 775 N CYS A 61 -1.013 -16.799 4.282 1.00 0.69 N ATOM 776 CA CYS A 61 -2.162 -17.193 3.474 1.00 0.76 C ATOM 777 C CYS A 61 -2.363 -16.258 2.260 1.00 0.71 C ATOM 778 O CYS A 61 -2.250 -16.709 1.120 1.00 0.79 O ATOM 779 CB CYS A 61 -3.426 -17.267 4.337 1.00 0.81 C ATOM 780 SG CYS A 61 -3.275 -18.381 5.754 1.00 1.41 S ATOM 0 H CYS A 61 -1.170 -15.985 4.877 1.00 0.69 H new ATOM 0 HA CYS A 61 -1.961 -18.187 3.075 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -3.669 -16.267 4.697 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -4.260 -17.594 3.716 1.00 0.81 H new ATOM 0 HG CYS A 61 -4.387 -18.380 6.427 1.00 1.41 H new ATOM 786 N PRO A 62 -2.653 -14.947 2.461 1.00 0.62 N ATOM 787 CA PRO A 62 -2.906 -14.003 1.356 1.00 0.60 C ATOM 788 C PRO A 62 -1.628 -13.413 0.755 1.00 0.54 C ATOM 789 O PRO A 62 -1.640 -12.296 0.231 1.00 0.49 O ATOM 790 CB PRO A 62 -3.712 -12.877 2.026 1.00 0.58 C ATOM 791 CG PRO A 62 -3.897 -13.286 3.454 1.00 0.60 C ATOM 792 CD PRO A 62 -2.794 -14.260 3.746 1.00 0.57 C ATOM 0 HA PRO A 62 -3.410 -14.502 0.528 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -3.182 -11.927 1.959 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.674 -12.741 1.533 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.843 -12.423 4.118 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.874 -13.745 3.606 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.874 -13.758 4.044 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -3.057 -14.947 4.550 1.00 0.57 H new ATOM 800 N THR A 63 -0.536 -14.164 0.830 1.00 0.58 N ATOM 801 CA THR A 63 0.788 -13.696 0.411 1.00 0.57 C ATOM 802 C THR A 63 1.172 -12.382 1.112 1.00 0.46 C ATOM 803 O THR A 63 0.395 -11.825 1.899 1.00 0.42 O ATOM 804 CB THR A 63 0.924 -13.551 -1.134 1.00 0.66 C ATOM 805 OG1 THR A 63 -0.023 -12.611 -1.664 1.00 0.93 O ATOM 806 CG2 THR A 63 0.732 -14.894 -1.823 1.00 0.94 C ATOM 0 H THR A 63 -0.540 -15.120 1.184 1.00 0.58 H new ATOM 0 HA THR A 63 1.488 -14.472 0.720 1.00 0.57 H new ATOM 0 HB THR A 63 1.930 -13.181 -1.330 1.00 0.66 H new ATOM 0 HG1 THR A 63 -0.482 -12.158 -0.926 1.00 0.93 H new ATOM 0 HG21 THR A 63 0.831 -14.767 -2.901 1.00 0.94 H new ATOM 0 HG22 THR A 63 1.487 -15.596 -1.469 1.00 0.94 H new ATOM 0 HG23 THR A 63 -0.260 -15.282 -1.593 1.00 0.94 H new ATOM 814 N GLN A 64 2.369 -11.891 0.860 1.00 0.46 N ATOM 815 CA GLN A 64 2.814 -10.666 1.508 1.00 0.44 C ATOM 816 C GLN A 64 2.051 -9.437 1.005 1.00 0.40 C ATOM 817 O GLN A 64 1.642 -8.604 1.812 1.00 0.38 O ATOM 818 CB GLN A 64 4.326 -10.477 1.352 1.00 0.55 C ATOM 819 CG GLN A 64 4.883 -9.341 2.195 1.00 0.81 C ATOM 820 CD GLN A 64 6.397 -9.320 2.226 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.042 -8.683 1.395 1.00 2.09 O ATOM 822 NE2 GLN A 64 6.976 -10.025 3.185 1.00 2.22 N ATOM 0 H GLN A 64 3.045 -12.311 0.222 1.00 0.46 H new ATOM 0 HA GLN A 64 2.592 -10.768 2.570 1.00 0.44 H new ATOM 0 HB2 GLN A 64 4.831 -11.404 1.626 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.555 -10.287 0.303 1.00 0.55 H new ATOM 0 HG2 GLN A 64 4.519 -8.391 1.803 1.00 0.81 H new ATOM 0 HG3 GLN A 64 4.505 -9.431 3.213 1.00 0.81 H new ATOM 0 HE21 GLN A 64 6.405 -10.540 3.855 1.00 2.22 H new ATOM 0 HE22 GLN A 64 7.993 -10.053 3.254 1.00 2.22 H new ATOM 831 N PRO A 65 1.846 -9.285 -0.317 1.00 0.41 N ATOM 832 CA PRO A 65 1.122 -8.135 -0.858 1.00 0.40 C ATOM 833 C PRO A 65 -0.304 -7.936 -0.296 1.00 0.33 C ATOM 834 O PRO A 65 -0.721 -6.797 -0.100 1.00 0.32 O ATOM 835 CB PRO A 65 1.087 -8.390 -2.360 1.00 0.48 C ATOM 836 CG PRO A 65 1.476 -9.811 -2.551 1.00 0.55 C ATOM 837 CD PRO A 65 2.356 -10.154 -1.393 1.00 0.48 C ATOM 0 HA PRO A 65 1.627 -7.211 -0.576 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.092 -8.202 -2.763 1.00 0.48 H new ATOM 0 HB3 PRO A 65 1.774 -7.725 -2.883 1.00 0.48 H new ATOM 0 HG2 PRO A 65 0.598 -10.456 -2.579 1.00 0.55 H new ATOM 0 HG3 PRO A 65 2.002 -9.948 -3.496 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.282 -11.209 -1.129 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.405 -9.953 -1.610 1.00 0.48 H new ATOM 845 N ASP A 66 -1.085 -8.994 -0.050 1.00 0.31 N ATOM 846 CA ASP A 66 -2.379 -8.775 0.598 1.00 0.29 C ATOM 847 C ASP A 66 -2.169 -8.376 2.047 1.00 0.26 C ATOM 848 O ASP A 66 -2.923 -7.587 2.609 1.00 0.26 O ATOM 849 CB ASP A 66 -3.299 -9.984 0.517 1.00 0.34 C ATOM 850 CG ASP A 66 -4.227 -9.930 -0.675 1.00 0.68 C ATOM 851 OD1 ASP A 66 -5.153 -9.094 -0.667 1.00 1.11 O ATOM 852 OD2 ASP A 66 -4.039 -10.717 -1.620 1.00 1.02 O ATOM 0 H ASP A 66 -0.859 -9.963 -0.276 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.873 -7.969 0.055 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.697 -10.891 0.463 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -3.890 -10.048 1.430 1.00 0.34 H new ATOM 857 N LYS A 67 -1.129 -8.927 2.645 1.00 0.28 N ATOM 858 CA LYS A 67 -0.775 -8.596 4.011 1.00 0.29 C ATOM 859 C LYS A 67 -0.438 -7.106 4.157 1.00 0.29 C ATOM 860 O LYS A 67 -0.747 -6.491 5.181 1.00 0.33 O ATOM 861 CB LYS A 67 0.390 -9.457 4.488 1.00 0.35 C ATOM 862 CG LYS A 67 0.859 -9.096 5.880 1.00 0.64 C ATOM 863 CD LYS A 67 -0.270 -9.192 6.889 1.00 0.79 C ATOM 864 CE LYS A 67 0.089 -8.505 8.195 1.00 1.13 C ATOM 865 NZ LYS A 67 0.543 -7.117 7.968 1.00 1.28 N ATOM 0 H LYS A 67 -0.513 -9.609 2.203 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.642 -8.805 4.638 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.091 -10.505 4.471 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.222 -9.352 3.791 1.00 0.35 H new ATOM 0 HG2 LYS A 67 1.670 -9.761 6.176 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.262 -8.083 5.878 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -1.170 -8.738 6.474 1.00 0.79 H new ATOM 0 HD3 LYS A 67 -0.500 -10.240 7.080 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.777 -8.502 8.856 1.00 1.13 H new ATOM 0 HE3 LYS A 67 0.874 -9.068 8.700 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 0.331 -6.541 8.808 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 1.568 -7.111 7.794 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.049 -6.721 7.143 1.00 1.28 H new ATOM 879 N VAL A 68 0.227 -6.527 3.162 1.00 0.27 N ATOM 880 CA VAL A 68 0.525 -5.104 3.211 1.00 0.29 C ATOM 881 C VAL A 68 -0.739 -4.269 3.040 1.00 0.26 C ATOM 882 O VAL A 68 -0.890 -3.256 3.704 1.00 0.28 O ATOM 883 CB VAL A 68 1.624 -4.648 2.219 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.920 -5.373 2.521 1.00 0.47 C ATOM 885 CG2 VAL A 68 1.222 -4.850 0.768 1.00 0.47 C ATOM 0 H VAL A 68 0.563 -7.011 2.329 1.00 0.27 H new ATOM 0 HA VAL A 68 0.936 -4.932 4.206 1.00 0.29 H new ATOM 0 HB VAL A 68 1.765 -3.576 2.356 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.690 -5.049 1.821 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.236 -5.145 3.539 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.768 -6.448 2.421 1.00 0.47 H new ATOM 0 HG21 VAL A 68 2.029 -4.514 0.117 1.00 0.47 H new ATOM 0 HG22 VAL A 68 1.027 -5.907 0.588 1.00 0.47 H new ATOM 0 HG23 VAL A 68 0.321 -4.274 0.556 1.00 0.47 H new ATOM 895 N ARG A 69 -1.668 -4.682 2.183 1.00 0.24 N ATOM 896 CA ARG A 69 -2.927 -3.951 2.092 1.00 0.31 C ATOM 897 C ARG A 69 -3.604 -3.968 3.458 1.00 0.25 C ATOM 898 O ARG A 69 -4.247 -3.010 3.851 1.00 0.25 O ATOM 899 CB ARG A 69 -3.848 -4.503 0.987 1.00 0.47 C ATOM 900 CG ARG A 69 -4.748 -5.669 1.386 1.00 0.63 C ATOM 901 CD ARG A 69 -6.035 -5.207 2.067 1.00 0.92 C ATOM 902 NE ARG A 69 -6.887 -6.340 2.422 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.109 -6.232 2.950 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.643 -5.041 3.183 1.00 2.21 N ATOM 905 NH2 ARG A 69 -8.791 -7.327 3.259 1.00 2.61 N ATOM 0 H ARG A 69 -1.580 -5.488 1.563 1.00 0.24 H new ATOM 0 HA ARG A 69 -2.716 -2.921 1.807 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -4.479 -3.690 0.627 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.227 -4.819 0.149 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -4.999 -6.251 0.499 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -4.203 -6.332 2.058 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -5.790 -4.639 2.964 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.579 -4.535 1.403 1.00 0.92 H new ATOM 0 HE ARG A 69 -6.523 -7.278 2.255 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -8.120 -4.195 2.959 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.577 -4.971 3.587 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -8.382 -8.246 3.093 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -9.725 -7.249 3.662 1.00 2.61 H new ATOM 919 N LYS A 70 -3.413 -5.066 4.185 1.00 0.24 N ATOM 920 CA LYS A 70 -3.917 -5.197 5.545 1.00 0.26 C ATOM 921 C LYS A 70 -3.346 -4.105 6.454 1.00 0.23 C ATOM 922 O LYS A 70 -4.079 -3.503 7.239 1.00 0.27 O ATOM 923 CB LYS A 70 -3.588 -6.608 6.073 1.00 0.31 C ATOM 924 CG LYS A 70 -3.759 -6.822 7.577 1.00 0.31 C ATOM 925 CD LYS A 70 -2.547 -6.326 8.361 1.00 0.31 C ATOM 926 CE LYS A 70 -2.419 -6.985 9.732 1.00 0.38 C ATOM 927 NZ LYS A 70 -3.674 -6.895 10.529 1.00 0.75 N ATOM 0 H LYS A 70 -2.907 -5.885 3.848 1.00 0.24 H new ATOM 0 HA LYS A 70 -4.999 -5.067 5.543 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.221 -7.326 5.551 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.556 -6.841 5.809 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.652 -6.299 7.919 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -3.913 -7.882 7.778 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.643 -6.520 7.784 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -2.619 -5.246 8.488 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -2.149 -8.033 9.604 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -1.607 -6.512 10.284 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -3.452 -7.003 11.539 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -4.121 -5.970 10.370 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -4.327 -7.650 10.235 1.00 0.75 H new ATOM 941 N ILE A 71 -2.040 -3.842 6.355 1.00 0.21 N ATOM 942 CA ILE A 71 -1.422 -2.854 7.230 1.00 0.21 C ATOM 943 C ILE A 71 -1.914 -1.453 6.896 1.00 0.18 C ATOM 944 O ILE A 71 -2.226 -0.673 7.797 1.00 0.20 O ATOM 945 CB ILE A 71 0.133 -2.907 7.253 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.762 -2.762 5.861 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.593 -4.187 7.903 1.00 0.50 C ATOM 948 CD1 ILE A 71 2.241 -3.136 5.784 1.00 0.57 C ATOM 0 H ILE A 71 -1.406 -4.290 5.693 1.00 0.21 H new ATOM 0 HA ILE A 71 -1.738 -3.116 8.240 1.00 0.21 H new ATOM 0 HB ILE A 71 0.471 -2.051 7.836 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.207 -3.386 5.160 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.645 -1.730 5.531 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.682 -4.218 7.916 1.00 0.50 H new ATOM 0 HG22 ILE A 71 0.217 -4.232 8.925 1.00 0.50 H new ATOM 0 HG23 ILE A 71 0.213 -5.039 7.339 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.598 -3.002 4.763 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.814 -2.496 6.455 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.369 -4.178 6.079 1.00 0.57 H new ATOM 960 N LEU A 72 -2.014 -1.140 5.605 1.00 0.19 N ATOM 961 CA LEU A 72 -2.541 0.159 5.204 1.00 0.24 C ATOM 962 C LEU A 72 -4.021 0.248 5.569 1.00 0.25 C ATOM 963 O LEU A 72 -4.536 1.322 5.882 1.00 0.29 O ATOM 964 CB LEU A 72 -2.395 0.458 3.701 1.00 0.39 C ATOM 965 CG LEU A 72 -1.010 0.306 3.045 1.00 0.31 C ATOM 966 CD1 LEU A 72 0.105 0.116 4.063 1.00 0.53 C ATOM 967 CD2 LEU A 72 -1.031 -0.837 2.050 1.00 0.88 C ATOM 0 H LEU A 72 -1.744 -1.753 4.836 1.00 0.19 H new ATOM 0 HA LEU A 72 -1.946 0.899 5.740 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -3.087 -0.193 3.166 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -2.728 1.482 3.534 1.00 0.39 H new ATOM 0 HG LEU A 72 -0.795 1.238 2.522 1.00 0.31 H new ATOM 0 HD11 LEU A 72 1.058 0.014 3.544 1.00 0.53 H new ATOM 0 HD12 LEU A 72 0.143 0.980 4.726 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.087 -0.783 4.649 1.00 0.53 H new ATOM 0 HD21 LEU A 72 -0.048 -0.938 1.591 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.287 -1.763 2.565 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.773 -0.634 1.278 1.00 0.88 H new ATOM 979 N ASP A 73 -4.700 -0.891 5.513 1.00 0.26 N ATOM 980 CA ASP A 73 -6.139 -0.946 5.741 1.00 0.31 C ATOM 981 C ASP A 73 -6.479 -0.538 7.158 1.00 0.30 C ATOM 982 O ASP A 73 -7.378 0.266 7.379 1.00 0.34 O ATOM 983 CB ASP A 73 -6.682 -2.351 5.477 1.00 0.37 C ATOM 984 CG ASP A 73 -7.911 -2.336 4.586 1.00 0.58 C ATOM 985 OD1 ASP A 73 -9.026 -2.103 5.102 1.00 1.16 O ATOM 986 OD2 ASP A 73 -7.764 -2.549 3.365 1.00 0.67 O ATOM 0 H ASP A 73 -4.274 -1.795 5.310 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.605 -0.247 5.046 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -5.905 -2.957 5.010 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -6.930 -2.827 6.426 1.00 0.37 H new ATOM 991 N LEU A 74 -5.749 -1.080 8.123 1.00 0.28 N ATOM 992 CA LEU A 74 -6.030 -0.782 9.518 1.00 0.28 C ATOM 993 C LEU A 74 -5.562 0.618 9.897 1.00 0.27 C ATOM 994 O LEU A 74 -6.164 1.260 10.758 1.00 0.31 O ATOM 995 CB LEU A 74 -5.425 -1.835 10.451 1.00 0.30 C ATOM 996 CG LEU A 74 -6.290 -3.088 10.653 1.00 0.37 C ATOM 997 CD1 LEU A 74 -6.395 -3.898 9.372 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.742 -3.944 11.783 1.00 0.85 C ATOM 0 H LEU A 74 -4.969 -1.719 7.968 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.113 -0.814 9.641 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.457 -2.139 10.054 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.241 -1.377 11.423 1.00 0.30 H new ATOM 0 HG LEU A 74 -7.293 -2.759 10.924 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.013 -4.778 9.548 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -6.847 -3.287 8.591 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -5.400 -4.211 9.057 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -6.370 -4.826 11.909 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.725 -4.254 11.544 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -5.738 -3.367 12.708 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.500 1.097 9.252 1.00 0.24 N ATOM 1011 CA VAL A 75 -3.997 2.436 9.538 1.00 0.24 C ATOM 1012 C VAL A 75 -4.980 3.500 9.048 1.00 0.27 C ATOM 1013 O VAL A 75 -5.190 4.519 9.704 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.599 2.705 8.922 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.677 2.896 7.423 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -1.962 3.911 9.591 1.00 0.23 C ATOM 0 H VAL A 75 -3.979 0.586 8.539 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.895 2.494 10.622 1.00 0.24 H new ATOM 0 HB VAL A 75 -1.974 1.830 9.101 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.678 3.082 7.027 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.088 1.998 6.963 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.321 3.746 7.198 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -0.981 4.094 9.153 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.595 4.786 9.442 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.853 3.720 10.659 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.575 3.237 7.879 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.591 4.105 7.279 1.00 0.37 C ATOM 1028 C GLN A 76 -6.070 5.511 6.979 1.00 0.48 C ATOM 1029 O GLN A 76 -6.860 6.426 6.746 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.825 4.176 8.176 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.606 2.878 8.210 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.577 2.804 9.368 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.734 3.213 9.254 1.00 1.63 O ATOM 1034 NE2 GLN A 76 -9.116 2.277 10.491 1.00 1.56 N ATOM 0 H GLN A 76 -5.363 2.410 7.320 1.00 0.31 H new ATOM 0 HA GLN A 76 -6.861 3.659 6.322 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.517 4.435 9.189 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.476 4.977 7.826 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.155 2.766 7.275 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -7.909 2.042 8.273 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -8.151 1.951 10.543 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -9.726 2.197 11.305 1.00 1.56 H new ATOM 1043 N SER A 77 -4.749 5.676 6.977 1.00 0.40 N ATOM 1044 CA SER A 77 -4.138 6.963 6.663 1.00 0.50 C ATOM 1045 C SER A 77 -2.628 6.828 6.445 1.00 0.42 C ATOM 1046 O SER A 77 -2.155 6.848 5.308 1.00 0.39 O ATOM 1047 CB SER A 77 -4.426 7.979 7.779 1.00 0.66 C ATOM 1048 OG SER A 77 -4.078 7.456 9.051 1.00 1.44 O ATOM 0 H SER A 77 -4.082 4.934 7.189 1.00 0.40 H new ATOM 0 HA SER A 77 -4.579 7.322 5.733 1.00 0.50 H new ATOM 0 HB2 SER A 77 -3.865 8.895 7.594 1.00 0.66 H new ATOM 0 HB3 SER A 77 -5.483 8.245 7.769 1.00 0.66 H new ATOM 0 HG SER A 77 -4.270 8.123 9.743 1.00 1.44 H new ATOM 1054 N LYS A 78 -1.882 6.667 7.541 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.421 6.648 7.492 1.00 0.42 C ATOM 1056 C LYS A 78 0.095 5.577 6.553 1.00 0.45 C ATOM 1057 O LYS A 78 0.631 5.896 5.501 1.00 0.95 O ATOM 1058 CB LYS A 78 0.186 6.451 8.886 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.198 7.544 9.873 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.128 8.930 9.245 1.00 0.73 C ATOM 1061 CE LYS A 78 1.250 9.237 8.682 1.00 1.17 C ATOM 1062 NZ LYS A 78 1.317 10.609 8.113 1.00 1.13 N ATOM 0 H LYS A 78 -2.270 6.548 8.477 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.110 7.620 7.110 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.134 5.487 9.281 1.00 0.44 H new ATOM 0 HB3 LYS A 78 1.272 6.415 8.799 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.208 7.363 10.240 1.00 0.59 H new ATOM 0 HG3 LYS A 78 0.467 7.503 10.736 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -0.869 9.004 8.449 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.388 9.679 9.993 1.00 0.73 H new ATOM 0 HE2 LYS A 78 1.997 9.132 9.469 1.00 1.17 H new ATOM 0 HE3 LYS A 78 1.498 8.510 7.909 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 2.271 10.783 7.738 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.622 10.701 7.345 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 1.105 11.304 8.857 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.095 4.317 6.928 1.00 0.34 N ATOM 1077 CA GLY A 79 0.382 3.206 6.134 1.00 0.30 C ATOM 1078 C GLY A 79 -0.009 3.338 4.687 1.00 0.30 C ATOM 1079 O GLY A 79 0.835 3.237 3.810 1.00 0.33 O ATOM 0 H GLY A 79 -0.580 4.045 7.783 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.467 3.144 6.212 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.020 2.275 6.535 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.290 3.597 4.446 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.799 3.739 3.086 1.00 0.32 C ATOM 1085 C GLU A 80 -0.975 4.750 2.281 1.00 0.32 C ATOM 1086 O GLU A 80 -0.460 4.428 1.210 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.264 4.185 3.127 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.767 4.712 1.796 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.153 5.316 1.879 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.320 6.333 2.582 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -6.085 4.761 1.261 1.00 0.50 O ATOM 0 H GLU A 80 -1.995 3.713 5.174 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.720 2.770 2.594 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -3.885 3.343 3.435 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.380 4.960 3.884 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -3.071 5.464 1.424 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.775 3.899 1.070 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.790 5.942 2.837 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.096 7.002 2.124 1.00 0.35 C ATOM 1100 C GLU A 81 1.404 6.753 2.080 1.00 0.35 C ATOM 1101 O GLU A 81 2.040 6.923 1.044 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.373 8.358 2.773 1.00 0.40 C ATOM 1103 CG GLU A 81 0.327 9.514 2.081 1.00 0.86 C ATOM 1104 CD GLU A 81 0.065 10.837 2.760 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.762 11.148 3.749 1.00 1.09 O ATOM 1106 OE2 GLU A 81 -0.838 11.574 2.307 1.00 1.15 O ATOM 0 H GLU A 81 -1.109 6.195 3.772 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.474 7.009 1.102 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.448 8.540 2.771 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.058 8.324 3.816 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.400 9.325 2.061 1.00 0.86 H new ATOM 0 HG3 GLU A 81 -0.006 9.569 1.045 1.00 0.86 H new ATOM 1113 N VAL A 82 1.966 6.341 3.201 1.00 0.33 N ATOM 1114 CA VAL A 82 3.405 6.182 3.303 1.00 0.35 C ATOM 1115 C VAL A 82 3.901 4.989 2.496 1.00 0.35 C ATOM 1116 O VAL A 82 4.992 5.033 1.932 1.00 0.38 O ATOM 1117 CB VAL A 82 3.874 6.071 4.767 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.397 7.279 5.554 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.406 4.777 5.421 1.00 0.46 C ATOM 0 H VAL A 82 1.451 6.111 4.051 1.00 0.33 H new ATOM 0 HA VAL A 82 3.843 7.086 2.879 1.00 0.35 H new ATOM 0 HB VAL A 82 4.964 6.050 4.770 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.732 7.195 6.588 1.00 0.42 H new ATOM 0 HG12 VAL A 82 3.808 8.187 5.112 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.308 7.324 5.527 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.759 4.742 6.452 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.317 4.737 5.409 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.806 3.926 4.871 1.00 0.46 H new ATOM 1129 N SER A 83 3.101 3.929 2.438 1.00 0.34 N ATOM 1130 CA SER A 83 3.490 2.741 1.701 1.00 0.36 C ATOM 1131 C SER A 83 3.618 3.065 0.219 1.00 0.33 C ATOM 1132 O SER A 83 4.637 2.756 -0.403 1.00 0.32 O ATOM 1133 CB SER A 83 2.464 1.622 1.918 1.00 0.42 C ATOM 1134 OG SER A 83 1.174 2.011 1.484 1.00 1.28 O ATOM 0 H SER A 83 2.188 3.872 2.889 1.00 0.34 H new ATOM 0 HA SER A 83 4.457 2.399 2.069 1.00 0.36 H new ATOM 0 HB2 SER A 83 2.777 0.729 1.377 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.429 1.358 2.975 1.00 0.42 H new ATOM 0 HG SER A 83 0.780 2.625 2.138 1.00 1.28 H new ATOM 1140 N GLU A 84 2.614 3.733 -0.338 1.00 0.32 N ATOM 1141 CA GLU A 84 2.691 4.134 -1.729 1.00 0.33 C ATOM 1142 C GLU A 84 3.777 5.188 -1.913 1.00 0.30 C ATOM 1143 O GLU A 84 4.649 5.036 -2.753 1.00 0.36 O ATOM 1144 CB GLU A 84 1.334 4.633 -2.253 1.00 0.37 C ATOM 1145 CG GLU A 84 0.724 5.767 -1.444 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.613 6.233 -1.990 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.549 5.416 -2.069 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.744 7.430 -2.322 1.00 0.72 O ATOM 0 H GLU A 84 1.756 4.002 0.144 1.00 0.32 H new ATOM 0 HA GLU A 84 2.956 3.257 -2.320 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.457 4.964 -3.284 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.635 3.797 -2.268 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.595 5.441 -0.412 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.417 6.608 -1.428 1.00 0.34 H new ATOM 1155 N PHE A 85 3.778 6.205 -1.060 1.00 0.26 N ATOM 1156 CA PHE A 85 4.664 7.350 -1.233 1.00 0.25 C ATOM 1157 C PHE A 85 6.140 6.954 -1.180 1.00 0.23 C ATOM 1158 O PHE A 85 6.908 7.315 -2.068 1.00 0.24 O ATOM 1159 CB PHE A 85 4.366 8.411 -0.169 1.00 0.28 C ATOM 1160 CG PHE A 85 5.166 9.673 -0.318 1.00 0.36 C ATOM 1161 CD1 PHE A 85 4.870 10.582 -1.320 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.211 9.950 0.548 1.00 0.44 C ATOM 1163 CE1 PHE A 85 5.603 11.744 -1.458 1.00 0.57 C ATOM 1164 CE2 PHE A 85 6.947 11.111 0.418 1.00 0.54 C ATOM 1165 CZ PHE A 85 6.642 12.011 -0.587 1.00 0.59 C ATOM 0 H PHE A 85 3.174 6.260 -0.240 1.00 0.26 H new ATOM 0 HA PHE A 85 4.473 7.761 -2.224 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.305 8.660 -0.207 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.559 7.986 0.816 1.00 0.28 H new ATOM 0 HD1 PHE A 85 4.057 10.380 -2.001 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.453 9.250 1.334 1.00 0.44 H new ATOM 0 HE1 PHE A 85 5.365 12.443 -2.246 1.00 0.57 H new ATOM 0 HE2 PHE A 85 7.759 11.316 1.100 1.00 0.54 H new ATOM 0 HZ PHE A 85 7.215 12.921 -0.691 1.00 0.59 H new ATOM 1175 N PHE A 86 6.526 6.181 -0.171 1.00 0.23 N ATOM 1176 CA PHE A 86 7.934 5.871 0.057 1.00 0.27 C ATOM 1177 C PHE A 86 8.453 4.881 -0.988 1.00 0.29 C ATOM 1178 O PHE A 86 9.535 5.063 -1.566 1.00 0.33 O ATOM 1179 CB PHE A 86 8.113 5.312 1.472 1.00 0.30 C ATOM 1180 CG PHE A 86 9.520 5.398 1.981 1.00 0.61 C ATOM 1181 CD1 PHE A 86 10.039 6.609 2.409 1.00 1.18 C ATOM 1182 CD2 PHE A 86 10.321 4.276 2.029 1.00 1.04 C ATOM 1183 CE1 PHE A 86 11.335 6.694 2.876 1.00 1.58 C ATOM 1184 CE2 PHE A 86 11.615 4.355 2.492 1.00 1.45 C ATOM 1185 CZ PHE A 86 12.125 5.565 2.919 1.00 1.58 C ATOM 0 H PHE A 86 5.886 5.758 0.501 1.00 0.23 H new ATOM 0 HA PHE A 86 8.517 6.787 -0.040 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.456 5.854 2.153 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.795 4.270 1.484 1.00 0.30 H new ATOM 0 HD1 PHE A 86 9.423 7.496 2.377 1.00 1.18 H new ATOM 0 HD2 PHE A 86 9.929 3.325 1.700 1.00 1.04 H new ATOM 0 HE1 PHE A 86 11.730 7.643 3.207 1.00 1.58 H new ATOM 0 HE2 PHE A 86 12.232 3.469 2.521 1.00 1.45 H new ATOM 0 HZ PHE A 86 13.139 5.627 3.285 1.00 1.58 H new ATOM 1195 N LEU A 87 7.669 3.845 -1.243 1.00 0.31 N ATOM 1196 CA LEU A 87 8.032 2.841 -2.234 1.00 0.36 C ATOM 1197 C LEU A 87 8.051 3.458 -3.636 1.00 0.35 C ATOM 1198 O LEU A 87 8.875 3.095 -4.477 1.00 0.39 O ATOM 1199 CB LEU A 87 7.081 1.636 -2.141 1.00 0.40 C ATOM 1200 CG LEU A 87 6.909 0.815 -3.420 1.00 0.60 C ATOM 1201 CD1 LEU A 87 8.143 -0.026 -3.676 1.00 0.93 C ATOM 1202 CD2 LEU A 87 5.671 -0.063 -3.331 1.00 0.83 C ATOM 0 H LEU A 87 6.777 3.676 -0.778 1.00 0.31 H new ATOM 0 HA LEU A 87 9.039 2.478 -2.029 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.442 0.974 -1.354 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.100 1.996 -1.830 1.00 0.40 H new ATOM 0 HG LEU A 87 6.779 1.502 -4.256 1.00 0.60 H new ATOM 0 HD11 LEU A 87 8.006 -0.605 -4.589 1.00 0.93 H new ATOM 0 HD12 LEU A 87 9.011 0.625 -3.786 1.00 0.93 H new ATOM 0 HD13 LEU A 87 8.302 -0.704 -2.837 1.00 0.93 H new ATOM 0 HD21 LEU A 87 5.566 -0.639 -4.251 1.00 0.83 H new ATOM 0 HD22 LEU A 87 5.768 -0.744 -2.485 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.790 0.564 -3.193 1.00 0.83 H new ATOM 1214 N TYR A 88 7.158 4.411 -3.866 1.00 0.34 N ATOM 1215 CA TYR A 88 7.114 5.149 -5.124 1.00 0.37 C ATOM 1216 C TYR A 88 8.287 6.105 -5.252 1.00 0.40 C ATOM 1217 O TYR A 88 8.704 6.407 -6.366 1.00 0.44 O ATOM 1218 CB TYR A 88 5.787 5.883 -5.310 1.00 0.45 C ATOM 1219 CG TYR A 88 4.632 4.944 -5.577 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.864 3.601 -5.847 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.319 5.395 -5.559 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.826 2.733 -6.097 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.270 4.531 -5.807 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.527 3.202 -6.076 1.00 0.74 C ATOM 1225 OH TYR A 88 1.484 2.345 -6.328 1.00 0.89 O ATOM 0 H TYR A 88 6.447 4.694 -3.191 1.00 0.34 H new ATOM 0 HA TYR A 88 7.194 4.413 -5.924 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.573 6.470 -4.417 1.00 0.45 H new ATOM 0 HB3 TYR A 88 5.878 6.585 -6.139 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.879 3.231 -5.861 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.115 6.434 -5.348 1.00 0.69 H new ATOM 0 HE1 TYR A 88 4.025 1.693 -6.308 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.253 4.894 -5.790 1.00 0.79 H new ATOM 0 HH TYR A 88 0.689 2.646 -5.841 1.00 0.89 H new ATOM 1235 N LEU A 89 8.785 6.623 -4.129 1.00 0.41 N ATOM 1236 CA LEU A 89 9.974 7.472 -4.163 1.00 0.50 C ATOM 1237 C LEU A 89 11.068 6.764 -4.947 1.00 0.47 C ATOM 1238 O LEU A 89 11.679 7.340 -5.850 1.00 0.48 O ATOM 1239 CB LEU A 89 10.492 7.771 -2.747 1.00 0.66 C ATOM 1240 CG LEU A 89 9.546 8.554 -1.834 1.00 0.70 C ATOM 1241 CD1 LEU A 89 10.133 8.674 -0.437 1.00 1.41 C ATOM 1242 CD2 LEU A 89 9.277 9.936 -2.405 1.00 1.23 C ATOM 0 H LEU A 89 8.391 6.473 -3.200 1.00 0.41 H new ATOM 0 HA LEU A 89 9.705 8.416 -4.638 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.731 6.824 -2.262 1.00 0.66 H new ATOM 0 HB3 LEU A 89 11.424 8.329 -2.834 1.00 0.66 H new ATOM 0 HG LEU A 89 8.603 8.011 -1.773 1.00 0.70 H new ATOM 0 HD11 LEU A 89 9.447 9.234 0.199 1.00 1.41 H new ATOM 0 HD12 LEU A 89 10.285 7.679 -0.019 1.00 1.41 H new ATOM 0 HD13 LEU A 89 11.089 9.196 -0.487 1.00 1.41 H new ATOM 0 HD21 LEU A 89 8.602 10.478 -1.743 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.216 10.482 -2.493 1.00 1.23 H new ATOM 0 HD23 LEU A 89 8.819 9.840 -3.390 1.00 1.23 H new ATOM 1254 N LEU A 90 11.313 5.512 -4.597 1.00 0.46 N ATOM 1255 CA LEU A 90 12.228 4.682 -5.375 1.00 0.46 C ATOM 1256 C LEU A 90 11.661 4.322 -6.754 1.00 0.40 C ATOM 1257 O LEU A 90 12.396 4.295 -7.740 1.00 0.42 O ATOM 1258 CB LEU A 90 12.601 3.410 -4.615 1.00 0.54 C ATOM 1259 CG LEU A 90 13.519 3.624 -3.410 1.00 0.82 C ATOM 1260 CD1 LEU A 90 13.991 2.291 -2.856 1.00 1.33 C ATOM 1261 CD2 LEU A 90 14.709 4.496 -3.790 1.00 1.59 C ATOM 0 H LEU A 90 10.898 5.049 -3.789 1.00 0.46 H new ATOM 0 HA LEU A 90 13.127 5.278 -5.532 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.686 2.926 -4.274 1.00 0.54 H new ATOM 0 HB3 LEU A 90 13.087 2.721 -5.306 1.00 0.54 H new ATOM 0 HG LEU A 90 12.951 4.138 -2.634 1.00 0.82 H new ATOM 0 HD11 LEU A 90 14.643 2.463 -2.000 1.00 1.33 H new ATOM 0 HD12 LEU A 90 13.129 1.701 -2.543 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.540 1.750 -3.627 1.00 1.33 H new ATOM 0 HD21 LEU A 90 15.350 4.636 -2.920 1.00 1.59 H new ATOM 0 HD22 LEU A 90 15.277 4.011 -4.584 1.00 1.59 H new ATOM 0 HD23 LEU A 90 14.353 5.465 -4.139 1.00 1.59 H new ATOM 1273 N GLN A 91 10.356 4.047 -6.822 1.00 0.36 N ATOM 1274 CA GLN A 91 9.763 3.456 -8.025 1.00 0.35 C ATOM 1275 C GLN A 91 9.592 4.469 -9.164 1.00 0.34 C ATOM 1276 O GLN A 91 10.087 4.236 -10.267 1.00 0.40 O ATOM 1277 CB GLN A 91 8.405 2.834 -7.675 1.00 0.38 C ATOM 1278 CG GLN A 91 7.839 1.900 -8.721 1.00 0.72 C ATOM 1279 CD GLN A 91 6.331 1.802 -8.616 1.00 1.14 C ATOM 1280 OE1 GLN A 91 5.635 2.567 -9.434 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 5.796 1.032 -7.823 1.00 1.70 N flip ATOM 0 H GLN A 91 9.695 4.222 -6.066 1.00 0.36 H new ATOM 0 HA GLN A 91 10.452 2.690 -8.381 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.504 2.287 -6.737 1.00 0.38 H new ATOM 0 HB3 GLN A 91 7.689 3.637 -7.502 1.00 0.38 H new ATOM 0 HG2 GLN A 91 8.114 2.254 -9.714 1.00 0.72 H new ATOM 0 HG3 GLN A 91 8.279 0.910 -8.603 1.00 0.72 H new ATOM 0 HE21 GLN A 91 6.369 0.456 -7.206 1.00 1.70 H new ATOM 0 HE22 GLN A 91 4.779 0.968 -7.781 1.00 1.70 H new ATOM 1290 N GLN A 92 8.955 5.609 -8.863 1.00 0.31 N ATOM 1291 CA GLN A 92 8.586 6.633 -9.860 1.00 0.36 C ATOM 1292 C GLN A 92 7.504 7.548 -9.292 1.00 0.39 C ATOM 1293 O GLN A 92 6.325 7.208 -9.306 1.00 0.42 O ATOM 1294 CB GLN A 92 8.085 6.018 -11.191 1.00 0.43 C ATOM 1295 CG GLN A 92 7.161 4.816 -11.041 1.00 0.46 C ATOM 1296 CD GLN A 92 7.313 3.830 -12.184 1.00 0.62 C ATOM 1297 OE1 GLN A 92 8.383 3.711 -12.780 1.00 0.87 O ATOM 1298 NE2 GLN A 92 6.252 3.106 -12.492 1.00 0.87 N ATOM 0 H GLN A 92 8.677 5.852 -7.912 1.00 0.31 H new ATOM 0 HA GLN A 92 9.490 7.201 -10.078 1.00 0.36 H new ATOM 0 HB2 GLN A 92 7.562 6.790 -11.756 1.00 0.43 H new ATOM 0 HB3 GLN A 92 8.950 5.720 -11.784 1.00 0.43 H new ATOM 0 HG2 GLN A 92 7.373 4.312 -10.098 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.127 5.158 -10.994 1.00 0.46 H new ATOM 0 HE21 GLN A 92 5.381 3.232 -11.976 1.00 0.87 H new ATOM 0 HE22 GLN A 92 6.303 2.421 -13.246 1.00 0.87 H new ATOM 1307 N LEU A 93 7.910 8.708 -8.793 1.00 0.48 N ATOM 1308 CA LEU A 93 6.966 9.666 -8.217 1.00 0.61 C ATOM 1309 C LEU A 93 5.973 10.143 -9.261 1.00 0.61 C ATOM 1310 O LEU A 93 4.763 10.107 -9.047 1.00 0.66 O ATOM 1311 CB LEU A 93 7.691 10.882 -7.623 1.00 0.80 C ATOM 1312 CG LEU A 93 8.420 10.641 -6.301 1.00 0.78 C ATOM 1313 CD1 LEU A 93 7.510 9.915 -5.322 1.00 1.28 C ATOM 1314 CD2 LEU A 93 9.709 9.867 -6.523 1.00 1.60 C ATOM 0 H LEU A 93 8.884 9.011 -8.774 1.00 0.48 H new ATOM 0 HA LEU A 93 6.434 9.147 -7.419 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.414 11.243 -8.354 1.00 0.80 H new ATOM 0 HB3 LEU A 93 6.962 11.679 -7.474 1.00 0.80 H new ATOM 0 HG LEU A 93 8.685 11.608 -5.873 1.00 0.78 H new ATOM 0 HD11 LEU A 93 8.042 9.750 -4.385 1.00 1.28 H new ATOM 0 HD12 LEU A 93 6.622 10.519 -5.134 1.00 1.28 H new ATOM 0 HD13 LEU A 93 7.213 8.955 -5.745 1.00 1.28 H new ATOM 0 HD21 LEU A 93 10.208 9.709 -5.567 1.00 1.60 H new ATOM 0 HD22 LEU A 93 9.481 8.903 -6.977 1.00 1.60 H new ATOM 0 HD23 LEU A 93 10.364 10.433 -7.185 1.00 1.60 H new ATOM 1326 N ALA A 94 6.496 10.573 -10.394 1.00 0.63 N ATOM 1327 CA ALA A 94 5.671 11.127 -11.450 1.00 0.73 C ATOM 1328 C ALA A 94 4.749 10.068 -12.034 1.00 0.71 C ATOM 1329 O ALA A 94 3.579 10.332 -12.315 1.00 0.78 O ATOM 1330 CB ALA A 94 6.550 11.717 -12.535 1.00 0.79 C ATOM 0 H ALA A 94 7.493 10.549 -10.607 1.00 0.63 H new ATOM 0 HA ALA A 94 5.050 11.916 -11.025 1.00 0.73 H new ATOM 0 HB1 ALA A 94 5.924 12.131 -13.325 1.00 0.79 H new ATOM 0 HB2 ALA A 94 7.170 12.507 -12.111 1.00 0.79 H new ATOM 0 HB3 ALA A 94 7.189 10.937 -12.950 1.00 0.79 H new ATOM 1336 N ASP A 95 5.268 8.860 -12.203 1.00 0.65 N ATOM 1337 CA ASP A 95 4.498 7.807 -12.847 1.00 0.67 C ATOM 1338 C ASP A 95 3.494 7.186 -11.891 1.00 0.68 C ATOM 1339 O ASP A 95 2.320 7.062 -12.209 1.00 0.71 O ATOM 1340 CB ASP A 95 5.397 6.708 -13.403 1.00 0.67 C ATOM 1341 CG ASP A 95 4.639 5.762 -14.318 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.060 4.773 -13.823 1.00 0.87 O ATOM 1343 OD2 ASP A 95 4.618 6.007 -15.541 1.00 0.88 O ATOM 0 H ASP A 95 6.206 8.588 -11.908 1.00 0.65 H new ATOM 0 HA ASP A 95 3.964 8.280 -13.671 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.224 7.159 -13.952 1.00 0.67 H new ATOM 0 HB3 ASP A 95 5.832 6.144 -12.578 1.00 0.67 H new ATOM 1348 N ALA A 96 3.960 6.821 -10.711 1.00 0.67 N ATOM 1349 CA ALA A 96 3.156 6.052 -9.777 1.00 0.72 C ATOM 1350 C ALA A 96 2.155 6.910 -9.014 1.00 0.75 C ATOM 1351 O ALA A 96 1.000 6.527 -8.869 1.00 0.83 O ATOM 1352 CB ALA A 96 4.055 5.308 -8.818 1.00 0.74 C ATOM 0 H ALA A 96 4.896 7.046 -10.375 1.00 0.67 H new ATOM 0 HA ALA A 96 2.573 5.340 -10.362 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.446 4.733 -8.120 1.00 0.74 H new ATOM 0 HB2 ALA A 96 4.703 4.632 -9.376 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.666 6.021 -8.264 1.00 0.74 H new ATOM 1358 N TYR A 97 2.585 8.070 -8.532 1.00 0.72 N ATOM 1359 CA TYR A 97 1.742 8.856 -7.639 1.00 0.76 C ATOM 1360 C TYR A 97 0.647 9.593 -8.407 1.00 0.86 C ATOM 1361 O TYR A 97 -0.494 9.656 -7.954 1.00 0.96 O ATOM 1362 CB TYR A 97 2.576 9.842 -6.821 1.00 0.71 C ATOM 1363 CG TYR A 97 1.977 10.135 -5.461 1.00 0.72 C ATOM 1364 CD1 TYR A 97 2.150 9.246 -4.406 1.00 0.84 C ATOM 1365 CD2 TYR A 97 1.233 11.287 -5.230 1.00 0.90 C ATOM 1366 CE1 TYR A 97 1.602 9.495 -3.162 1.00 0.96 C ATOM 1367 CE2 TYR A 97 0.682 11.545 -3.986 1.00 1.02 C ATOM 1368 CZ TYR A 97 0.868 10.644 -2.957 1.00 0.98 C ATOM 1369 OH TYR A 97 0.325 10.895 -1.712 1.00 1.18 O ATOM 0 H TYR A 97 3.495 8.482 -8.739 1.00 0.72 H new ATOM 0 HA TYR A 97 1.261 8.160 -6.952 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.581 9.440 -6.691 1.00 0.71 H new ATOM 0 HB3 TYR A 97 2.676 10.774 -7.377 1.00 0.71 H new ATOM 0 HD1 TYR A 97 2.723 8.344 -4.562 1.00 0.84 H new ATOM 0 HD2 TYR A 97 1.082 11.992 -6.034 1.00 0.90 H new ATOM 0 HE1 TYR A 97 1.748 8.793 -2.354 1.00 0.96 H new ATOM 0 HE2 TYR A 97 0.110 12.446 -3.822 1.00 1.02 H new ATOM 0 HH TYR A 97 -0.162 11.745 -1.733 1.00 1.18 H new ATOM 1379 N VAL A 98 0.984 10.163 -9.557 1.00 0.91 N ATOM 1380 CA VAL A 98 -0.028 10.818 -10.381 1.00 1.11 C ATOM 1381 C VAL A 98 -1.031 9.796 -10.919 1.00 1.30 C ATOM 1382 O VAL A 98 -2.231 10.064 -10.981 1.00 1.35 O ATOM 1383 CB VAL A 98 0.609 11.597 -11.551 1.00 1.24 C ATOM 1384 CG1 VAL A 98 -0.455 12.285 -12.395 1.00 1.74 C ATOM 1385 CG2 VAL A 98 1.611 12.613 -11.026 1.00 1.72 C ATOM 0 H VAL A 98 1.931 10.187 -9.936 1.00 0.91 H new ATOM 0 HA VAL A 98 -0.553 11.531 -9.745 1.00 1.11 H new ATOM 0 HB VAL A 98 1.133 10.884 -12.187 1.00 1.24 H new ATOM 0 HG11 VAL A 98 0.022 12.826 -13.212 1.00 1.74 H new ATOM 0 HG12 VAL A 98 -1.135 11.537 -12.803 1.00 1.74 H new ATOM 0 HG13 VAL A 98 -1.015 12.985 -11.775 1.00 1.74 H new ATOM 0 HG21 VAL A 98 2.052 13.155 -11.863 1.00 1.72 H new ATOM 0 HG22 VAL A 98 1.104 13.316 -10.365 1.00 1.72 H new ATOM 0 HG23 VAL A 98 2.396 12.097 -10.473 1.00 1.72 H new ATOM 1395 N ASP A 99 -0.537 8.606 -11.260 1.00 1.46 N ATOM 1396 CA ASP A 99 -1.393 7.515 -11.739 1.00 1.66 C ATOM 1397 C ASP A 99 -2.183 6.893 -10.595 1.00 1.52 C ATOM 1398 O ASP A 99 -3.194 6.228 -10.816 1.00 1.56 O ATOM 1399 CB ASP A 99 -0.562 6.431 -12.430 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.323 6.698 -13.904 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -0.019 7.859 -14.254 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -0.454 5.767 -14.725 1.00 3.00 O ATOM 0 H ASP A 99 0.454 8.370 -11.214 1.00 1.46 H new ATOM 0 HA ASP A 99 -2.091 7.943 -12.458 1.00 1.66 H new ATOM 0 HB2 ASP A 99 0.400 6.344 -11.924 1.00 2.08 H new ATOM 0 HB3 ASP A 99 -1.068 5.472 -12.320 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.705 7.114 -9.379 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.303 6.542 -8.176 1.00 1.47 C ATOM 1409 C LEU A 100 -3.773 6.948 -8.063 1.00 1.29 C ATOM 1410 O LEU A 100 -4.634 6.136 -7.720 1.00 1.31 O ATOM 1411 CB LEU A 100 -1.497 7.022 -6.954 1.00 1.67 C ATOM 1412 CG LEU A 100 -1.666 6.235 -5.648 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -3.033 6.472 -5.033 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -1.427 4.750 -5.882 1.00 2.05 C ATOM 0 H LEU A 100 -0.888 7.697 -9.196 1.00 1.45 H new ATOM 0 HA LEU A 100 -2.271 5.454 -8.225 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -0.440 7.010 -7.221 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -1.765 8.060 -6.759 1.00 1.67 H new ATOM 0 HG LEU A 100 -0.919 6.596 -4.941 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -3.120 5.900 -4.109 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -3.155 7.533 -4.816 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -3.807 6.153 -5.732 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -1.552 4.209 -4.944 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -2.144 4.377 -6.614 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -0.414 4.599 -6.256 1.00 2.05 H new ATOM 1426 N ARG A 101 -4.051 8.201 -8.390 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.397 8.747 -8.271 1.00 1.24 C ATOM 1428 C ARG A 101 -6.377 8.079 -9.250 1.00 1.16 C ATOM 1429 O ARG A 101 -7.447 7.639 -8.832 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.351 10.272 -8.435 1.00 1.33 C ATOM 1431 CG ARG A 101 -4.607 10.945 -7.292 1.00 1.51 C ATOM 1432 CD ARG A 101 -4.365 12.426 -7.528 1.00 1.91 C ATOM 1433 NE ARG A 101 -3.767 13.046 -6.344 1.00 2.59 N ATOM 1434 CZ ARG A 101 -2.564 13.620 -6.315 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -1.851 13.754 -7.425 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -2.082 14.086 -5.170 1.00 4.30 N ATOM 0 H ARG A 101 -3.359 8.863 -8.742 1.00 1.20 H new ATOM 0 HA ARG A 101 -5.779 8.524 -7.275 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -4.867 10.521 -9.379 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.368 10.662 -8.486 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -5.177 10.818 -6.371 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -3.649 10.445 -7.146 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -3.707 12.560 -8.387 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -5.307 12.920 -7.767 1.00 1.91 H new ATOM 0 HE ARG A 101 -4.309 13.038 -5.480 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -2.222 13.416 -8.313 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -0.932 14.195 -7.391 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -2.632 14.005 -4.315 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -1.162 14.526 -5.145 1.00 4.30 H new ATOM 1450 N PRO A 102 -6.054 7.993 -10.559 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.856 7.213 -11.512 1.00 1.12 C ATOM 1452 C PRO A 102 -6.980 5.734 -11.121 1.00 1.04 C ATOM 1453 O PRO A 102 -8.052 5.146 -11.273 1.00 1.11 O ATOM 1454 CB PRO A 102 -6.090 7.352 -12.831 1.00 1.21 C ATOM 1455 CG PRO A 102 -5.327 8.618 -12.685 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.950 8.698 -11.234 1.00 1.12 C ATOM 0 HA PRO A 102 -7.882 7.577 -11.557 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -5.425 6.504 -12.995 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -6.769 7.394 -13.682 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -4.441 8.617 -13.320 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -5.931 9.476 -12.981 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.990 8.220 -11.041 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -4.866 9.731 -10.896 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.899 5.147 -10.593 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.896 3.725 -10.227 1.00 0.93 C ATOM 1466 C TRP A 103 -7.013 3.397 -9.236 1.00 0.89 C ATOM 1467 O TRP A 103 -7.796 2.471 -9.459 1.00 0.97 O ATOM 1468 CB TRP A 103 -4.548 3.303 -9.624 1.00 0.95 C ATOM 1469 CG TRP A 103 -3.447 3.112 -10.626 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -3.579 2.796 -11.949 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -2.035 3.199 -10.375 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -2.339 2.698 -12.537 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -1.377 2.939 -11.591 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -1.267 3.479 -9.241 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.012 2.950 -11.703 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.112 3.488 -9.352 1.00 0.72 C ATOM 1477 CH2 TRP A 103 0.740 3.228 -10.576 1.00 0.69 C ATOM 0 H TRP A 103 -5.020 5.631 -10.410 1.00 0.95 H new ATOM 0 HA TRP A 103 -6.065 3.167 -11.148 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -4.237 4.057 -8.901 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -4.686 2.372 -9.074 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -4.519 2.645 -12.459 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -2.164 2.481 -13.518 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.743 3.685 -8.293 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 0.498 2.746 -12.646 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 0.714 3.699 -8.480 1.00 0.72 H new ATOM 0 HH2 TRP A 103 1.818 3.247 -10.633 1.00 0.69 H new ATOM 1488 N LEU A 104 -7.096 4.170 -8.156 1.00 0.84 N ATOM 1489 CA LEU A 104 -8.093 3.922 -7.117 1.00 0.87 C ATOM 1490 C LEU A 104 -9.512 4.098 -7.653 1.00 1.03 C ATOM 1491 O LEU A 104 -10.439 3.424 -7.204 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.841 4.794 -5.875 1.00 0.92 C ATOM 1493 CG LEU A 104 -7.839 6.312 -6.093 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -9.238 6.890 -5.930 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -6.872 6.982 -5.130 1.00 1.78 C ATOM 0 H LEU A 104 -6.488 4.970 -7.977 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.992 2.882 -6.806 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -8.602 4.557 -5.132 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -6.879 4.509 -5.448 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.510 6.508 -7.114 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -9.207 7.968 -6.090 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -9.907 6.434 -6.659 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -9.602 6.683 -4.924 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -6.881 8.059 -5.296 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -7.175 6.770 -4.104 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -5.866 6.597 -5.298 1.00 1.78 H new