USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 92 GLN : amide:sc= -0.0502 K(o=-0.84,f=-5.9!) USER MOD Set 1.2: A 104 HIS : no HE2:sc= -0.791 K(o=-0.84,f=-2.4) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.0508 K(o=0.25,f=-1.8!) USER MOD Set 2.2: A 109 SER OG : rot 109:sc= 0.299 USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0.952 USER MOD Set 3.2: A 49 TYR OH : rot -37:sc= 1.13 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 0.208 (180deg=0.00271) USER MOD Single : A 14 HIS : no HE2:sc= -0.485 K(o=-0.48,f=-2) USER MOD Single : A 16 GLN : amide:sc= 0.686 K(o=0.69,f=-0.99) USER MOD Single : A 34 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=-0.068) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 52 SER OG : rot 110:sc= -0.354 USER MOD Single : A 61 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-1.9) USER MOD Single : A 65 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.57) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -160:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -158:sc= 1.26 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.481) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -1.250 10.330 -8.170 1.00 0.00 N ATOM 67 CA GLU A 8 -1.431 11.004 -6.882 1.00 0.00 C ATOM 68 C GLU A 8 -0.207 10.916 -5.962 1.00 0.00 C ATOM 69 O GLU A 8 -0.326 11.107 -4.759 1.00 0.00 O ATOM 70 CB GLU A 8 -2.766 10.582 -6.224 1.00 0.00 C ATOM 71 CG GLU A 8 -3.934 10.995 -7.134 1.00 0.00 C ATOM 72 CD GLU A 8 -5.287 11.127 -6.440 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.814 10.154 -5.873 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.905 12.208 -6.605 1.00 0.00 O ATOM 0 HA GLU A 8 -1.510 12.073 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.780 9.504 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.868 11.053 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.689 11.949 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.025 10.262 -7.935 1.00 0.00 H new ATOM 81 N VAL A 9 0.982 10.652 -6.501 1.00 0.00 N ATOM 82 CA VAL A 9 2.182 10.329 -5.757 1.00 0.00 C ATOM 83 C VAL A 9 2.508 11.476 -4.816 1.00 0.00 C ATOM 84 O VAL A 9 2.822 11.243 -3.659 1.00 0.00 O ATOM 85 CB VAL A 9 3.335 10.075 -6.751 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.569 9.523 -6.036 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.906 9.128 -7.890 1.00 0.00 C ATOM 0 H VAL A 9 1.134 10.660 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 9 2.035 9.428 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 9 3.594 11.037 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.365 9.354 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.907 10.240 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.316 8.581 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.744 8.973 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.597 8.171 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.073 9.570 -8.436 1.00 0.00 H new ATOM 97 N GLN A 10 2.483 12.707 -5.329 1.00 0.00 N ATOM 98 CA GLN A 10 3.038 13.860 -4.640 1.00 0.00 C ATOM 99 C GLN A 10 2.046 14.457 -3.632 1.00 0.00 C ATOM 100 O GLN A 10 2.428 15.294 -2.806 1.00 0.00 O ATOM 101 CB GLN A 10 3.467 14.889 -5.693 1.00 0.00 C ATOM 102 CG GLN A 10 4.599 14.374 -6.597 1.00 0.00 C ATOM 103 CD GLN A 10 5.969 14.505 -5.924 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.378 15.594 -5.524 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.717 13.429 -5.764 1.00 0.00 N ATOM 0 H GLN A 10 2.075 12.927 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 10 3.905 13.551 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.607 15.153 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.793 15.801 -5.193 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.416 13.329 -6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.599 14.932 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.384 12.523 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.628 13.504 -5.311 1.00 0.00 H new ATOM 114 N LYS A 11 0.773 14.057 -3.717 1.00 0.00 N ATOM 115 CA LYS A 11 -0.286 14.430 -2.778 1.00 0.00 C ATOM 116 C LYS A 11 0.032 13.927 -1.364 1.00 0.00 C ATOM 117 O LYS A 11 0.860 13.026 -1.194 1.00 0.00 O ATOM 118 CB LYS A 11 -1.627 13.838 -3.257 1.00 0.00 C ATOM 119 CG LYS A 11 -2.227 14.575 -4.462 1.00 0.00 C ATOM 120 CD LYS A 11 -3.696 14.169 -4.641 1.00 0.00 C ATOM 121 CE LYS A 11 -4.446 15.052 -5.640 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.891 16.329 -5.043 1.00 0.00 N ATOM 0 H LYS A 11 0.443 13.446 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.355 15.517 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.479 12.790 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.341 13.863 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.153 15.652 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.662 14.337 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.742 13.133 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.200 14.215 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.800 15.259 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.312 14.511 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.815 16.595 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.976 16.219 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.196 17.073 -5.256 1.00 0.00 H new ATOM 136 N PRO A 12 -0.672 14.429 -0.332 1.00 0.00 N ATOM 137 CA PRO A 12 -0.642 13.809 0.984 1.00 0.00 C ATOM 138 C PRO A 12 -1.179 12.379 0.913 1.00 0.00 C ATOM 139 O PRO A 12 -1.917 12.016 -0.009 1.00 0.00 O ATOM 140 CB PRO A 12 -1.493 14.704 1.885 1.00 0.00 C ATOM 141 CG PRO A 12 -2.478 15.345 0.922 1.00 0.00 C ATOM 142 CD PRO A 12 -1.665 15.497 -0.361 1.00 0.00 C ATOM 0 HA PRO A 12 0.371 13.726 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.004 14.127 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.886 15.452 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.357 14.719 0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.832 16.308 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.303 15.413 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.186 16.475 -0.407 1.00 0.00 H new ATOM 150 N LEU A 13 -0.878 11.579 1.940 1.00 0.00 N ATOM 151 CA LEU A 13 -1.482 10.259 2.108 1.00 0.00 C ATOM 152 C LEU A 13 -2.995 10.374 2.245 1.00 0.00 C ATOM 153 O LEU A 13 -3.699 9.474 1.804 1.00 0.00 O ATOM 154 CB LEU A 13 -0.820 9.544 3.296 1.00 0.00 C ATOM 155 CG LEU A 13 -1.202 8.054 3.490 1.00 0.00 C ATOM 156 CD1 LEU A 13 -0.091 7.258 4.183 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.417 7.862 4.388 1.00 0.00 C ATOM 0 H LEU A 13 -0.213 11.828 2.672 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.305 9.650 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.262 9.609 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.073 10.085 4.208 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.394 7.705 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.404 6.220 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.816 7.299 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.106 7.688 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.634 6.798 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.211 8.281 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.277 8.369 3.950 1.00 0.00 H new ATOM 169 N HIS A 14 -3.498 11.483 2.794 1.00 0.00 N ATOM 170 CA HIS A 14 -4.924 11.622 3.054 1.00 0.00 C ATOM 171 C HIS A 14 -5.747 12.041 1.813 1.00 0.00 C ATOM 172 O HIS A 14 -6.920 12.409 1.935 1.00 0.00 O ATOM 173 CB HIS A 14 -5.138 12.583 4.234 1.00 0.00 C ATOM 174 CG HIS A 14 -5.090 14.053 3.882 1.00 0.00 C ATOM 175 ND1 HIS A 14 -6.077 14.744 3.217 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.113 14.950 4.210 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.692 16.023 3.114 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.506 16.203 3.723 1.00 0.00 N ATOM 0 H HIS A 14 -2.938 12.291 3.064 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.304 10.635 3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.105 12.366 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.378 12.381 4.989 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -6.950 14.351 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.202 14.732 4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.253 16.798 2.614 1.00 0.00 H new ATOM 186 N GLU A 15 -5.122 12.118 0.635 1.00 0.00 N ATOM 187 CA GLU A 15 -5.782 12.416 -0.641 1.00 0.00 C ATOM 188 C GLU A 15 -5.438 11.358 -1.696 1.00 0.00 C ATOM 189 O GLU A 15 -5.545 11.616 -2.897 1.00 0.00 O ATOM 190 CB GLU A 15 -5.452 13.831 -1.148 1.00 0.00 C ATOM 191 CG GLU A 15 -6.062 14.970 -0.331 1.00 0.00 C ATOM 192 CD GLU A 15 -6.239 16.235 -1.180 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.328 16.644 -1.933 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.328 16.849 -1.109 1.00 0.00 O ATOM 0 H GLU A 15 -4.117 11.971 0.539 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.857 12.384 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.369 13.953 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.794 13.920 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.028 14.658 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.422 15.190 0.524 1.00 0.00 H new ATOM 201 N GLN A 16 -4.968 10.193 -1.255 1.00 0.00 N ATOM 202 CA GLN A 16 -4.770 9.023 -2.088 1.00 0.00 C ATOM 203 C GLN A 16 -6.113 8.431 -2.519 1.00 0.00 C ATOM 204 O GLN A 16 -7.184 9.019 -2.340 1.00 0.00 O ATOM 205 CB GLN A 16 -3.905 8.018 -1.302 1.00 0.00 C ATOM 206 CG GLN A 16 -2.512 8.597 -1.034 1.00 0.00 C ATOM 207 CD GLN A 16 -1.761 9.001 -2.296 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.636 8.231 -3.247 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.226 10.209 -2.303 1.00 0.00 N ATOM 0 H GLN A 16 -4.709 10.039 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.250 9.289 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.391 7.773 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.816 7.089 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.609 9.468 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.921 7.860 -0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.347 10.825 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.692 10.526 -3.112 1.00 0.00 H new ATOM 218 N LEU A 17 -6.034 7.251 -3.129 1.00 0.00 N ATOM 219 CA LEU A 17 -7.158 6.464 -3.606 1.00 0.00 C ATOM 220 C LEU A 17 -7.232 5.151 -2.827 1.00 0.00 C ATOM 221 O LEU A 17 -8.283 4.805 -2.299 1.00 0.00 O ATOM 222 CB LEU A 17 -7.078 6.237 -5.128 1.00 0.00 C ATOM 223 CG LEU A 17 -5.718 5.862 -5.760 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.966 5.066 -7.042 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.842 7.068 -6.124 1.00 0.00 C ATOM 0 H LEU A 17 -5.138 6.799 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.081 7.016 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.787 5.448 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.427 7.147 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.184 5.286 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.011 4.798 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.523 4.159 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.541 5.673 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.906 6.719 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.368 7.695 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.629 7.647 -5.226 1.00 0.00 H new ATOM 237 N TRP A 18 -6.110 4.441 -2.719 1.00 0.00 N ATOM 238 CA TRP A 18 -5.955 3.162 -2.027 1.00 0.00 C ATOM 239 C TRP A 18 -6.012 3.265 -0.495 1.00 0.00 C ATOM 240 O TRP A 18 -5.848 2.262 0.210 1.00 0.00 O ATOM 241 CB TRP A 18 -4.610 2.570 -2.469 1.00 0.00 C ATOM 242 CG TRP A 18 -3.451 3.524 -2.583 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.927 3.972 -3.746 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.658 4.161 -1.529 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.857 4.794 -3.489 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.618 4.913 -2.144 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.702 4.194 -0.120 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.643 5.597 -1.412 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.751 4.915 0.631 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.703 5.594 -0.011 1.00 0.00 C ATOM 0 H TRP A 18 -5.235 4.761 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.797 2.524 -2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.336 1.786 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.752 2.091 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.295 3.721 -4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.307 5.259 -4.211 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.482 3.654 0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.150 6.124 -1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.829 4.945 1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.049 6.109 0.568 1.00 0.00 H new ATOM 261 N TYR A 19 -6.144 4.469 0.055 1.00 0.00 N ATOM 262 CA TYR A 19 -6.146 4.685 1.492 1.00 0.00 C ATOM 263 C TYR A 19 -7.587 4.582 2.016 1.00 0.00 C ATOM 264 O TYR A 19 -8.372 5.524 1.899 1.00 0.00 O ATOM 265 CB TYR A 19 -5.438 5.999 1.827 1.00 0.00 C ATOM 266 CG TYR A 19 -5.387 6.265 3.315 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.840 5.301 4.185 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.882 7.472 3.832 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.762 5.541 5.566 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.817 7.724 5.211 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.224 6.777 6.076 1.00 0.00 C ATOM 272 OH TYR A 19 -5.041 7.096 7.385 1.00 0.00 O ATOM 0 H TYR A 19 -6.253 5.324 -0.490 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.577 3.912 2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.423 5.973 1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.952 6.822 1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.476 4.366 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.313 8.207 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.355 4.793 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.220 8.642 5.611 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.420 7.983 7.562 1.00 0.00 H new ATOM 282 N HIS A 20 -7.973 3.408 2.526 1.00 0.00 N ATOM 283 CA HIS A 20 -9.302 3.145 3.082 1.00 0.00 C ATOM 284 C HIS A 20 -9.328 3.397 4.601 1.00 0.00 C ATOM 285 O HIS A 20 -10.385 3.264 5.208 1.00 0.00 O ATOM 286 CB HIS A 20 -9.758 1.707 2.757 1.00 0.00 C ATOM 287 CG HIS A 20 -10.180 1.441 1.339 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.442 1.057 0.951 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.365 1.365 0.241 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.396 0.765 -0.357 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.155 0.954 -0.839 1.00 0.00 N ATOM 0 H HIS A 20 -7.356 2.597 2.564 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.003 3.838 2.616 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.943 1.027 3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.591 1.457 3.413 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.265 1.004 1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.307 1.582 0.213 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.238 0.425 -0.942 1.00 0.00 H new ATOM 299 N GLY A 21 -8.217 3.782 5.242 1.00 0.00 N ATOM 300 CA GLY A 21 -8.125 4.083 6.632 1.00 0.00 C ATOM 301 C GLY A 21 -8.119 2.771 7.378 1.00 0.00 C ATOM 302 O GLY A 21 -7.512 1.778 6.977 1.00 0.00 O ATOM 0 H GLY A 21 -7.325 3.890 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.218 4.649 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.966 4.700 6.948 1.00 0.00 H new ATOM 306 N ALA A 22 -8.731 2.819 8.528 1.00 0.00 N ATOM 307 CA ALA A 22 -8.926 1.726 9.449 1.00 0.00 C ATOM 308 C ALA A 22 -9.904 0.717 8.854 1.00 0.00 C ATOM 309 O ALA A 22 -11.102 0.995 8.789 1.00 0.00 O ATOM 310 CB ALA A 22 -9.464 2.334 10.730 1.00 0.00 C ATOM 0 H ALA A 22 -9.138 3.687 8.875 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.998 1.190 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.630 1.546 11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.743 3.051 11.123 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.406 2.842 10.524 1.00 0.00 H new ATOM 316 N ILE A 23 -9.407 -0.441 8.421 1.00 0.00 N ATOM 317 CA ILE A 23 -10.218 -1.549 7.922 1.00 0.00 C ATOM 318 C ILE A 23 -9.620 -2.848 8.496 1.00 0.00 C ATOM 319 O ILE A 23 -8.403 -2.894 8.680 1.00 0.00 O ATOM 320 CB ILE A 23 -10.349 -1.516 6.363 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.857 -2.805 5.667 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.670 -0.306 5.691 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.208 -2.919 4.187 1.00 0.00 C ATOM 0 H ILE A 23 -8.406 -0.639 8.407 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.251 -1.473 8.261 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.426 -1.426 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.774 -2.865 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.276 -3.664 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.810 -0.363 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.115 0.616 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.604 -0.314 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.819 -3.857 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.291 -2.896 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.765 -2.085 3.643 1.00 0.00 H new ATOM 335 N PRO A 24 -10.399 -3.918 8.732 1.00 0.00 N ATOM 336 CA PRO A 24 -9.931 -5.224 9.202 1.00 0.00 C ATOM 337 C PRO A 24 -9.279 -6.064 8.090 1.00 0.00 C ATOM 338 O PRO A 24 -9.425 -5.770 6.906 1.00 0.00 O ATOM 339 CB PRO A 24 -11.199 -5.924 9.688 1.00 0.00 C ATOM 340 CG PRO A 24 -12.261 -5.376 8.754 1.00 0.00 C ATOM 341 CD PRO A 24 -11.836 -3.931 8.553 1.00 0.00 C ATOM 0 HA PRO A 24 -9.165 -5.105 9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.116 -7.008 9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.417 -5.690 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.289 -5.922 7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.257 -5.445 9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.110 -3.577 7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.326 -3.275 9.272 1.00 0.00 H new ATOM 349 N ARG A 25 -8.627 -7.188 8.432 1.00 0.00 N ATOM 350 CA ARG A 25 -8.117 -8.117 7.413 1.00 0.00 C ATOM 351 C ARG A 25 -9.249 -8.696 6.577 1.00 0.00 C ATOM 352 O ARG A 25 -9.067 -8.914 5.384 1.00 0.00 O ATOM 353 CB ARG A 25 -7.223 -9.231 8.005 1.00 0.00 C ATOM 354 CG ARG A 25 -7.950 -10.510 8.482 1.00 0.00 C ATOM 355 CD ARG A 25 -6.945 -11.583 8.918 1.00 0.00 C ATOM 356 NE ARG A 25 -7.585 -12.870 9.251 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.224 -13.180 10.386 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.406 -12.267 11.333 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.668 -14.410 10.608 1.00 0.00 N ATOM 0 H ARG A 25 -8.443 -7.472 9.394 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.476 -7.531 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.487 -9.516 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.672 -8.816 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.612 -10.268 9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.576 -10.898 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.220 -11.740 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.391 -11.224 9.785 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.535 -13.601 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.057 -11.318 11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.894 -12.515 12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.525 -15.138 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.153 -14.628 11.479 1.00 0.00 H new ATOM 373 N ALA A 26 -10.399 -8.972 7.190 1.00 0.00 N ATOM 374 CA ALA A 26 -11.482 -9.681 6.529 1.00 0.00 C ATOM 375 C ALA A 26 -11.999 -8.903 5.319 1.00 0.00 C ATOM 376 O ALA A 26 -12.292 -9.500 4.284 1.00 0.00 O ATOM 377 CB ALA A 26 -12.592 -9.923 7.547 1.00 0.00 C ATOM 0 H ALA A 26 -10.601 -8.710 8.155 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.116 -10.636 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.415 -10.455 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.205 -10.520 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.951 -8.967 7.928 1.00 0.00 H new ATOM 383 N GLU A 27 -12.060 -7.580 5.432 1.00 0.00 N ATOM 384 CA GLU A 27 -12.604 -6.700 4.406 1.00 0.00 C ATOM 385 C GLU A 27 -11.686 -6.627 3.180 1.00 0.00 C ATOM 386 O GLU A 27 -12.176 -6.447 2.076 1.00 0.00 O ATOM 387 CB GLU A 27 -12.801 -5.316 5.033 1.00 0.00 C ATOM 388 CG GLU A 27 -14.021 -5.287 5.962 1.00 0.00 C ATOM 389 CD GLU A 27 -15.357 -5.317 5.238 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.822 -4.224 4.836 1.00 0.00 O ATOM 391 OE2 GLU A 27 -15.959 -6.411 5.174 1.00 0.00 O ATOM 0 H GLU A 27 -11.726 -7.081 6.256 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.557 -7.092 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.909 -5.040 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.925 -4.573 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.968 -6.140 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.974 -4.388 6.577 1.00 0.00 H new ATOM 398 N VAL A 28 -10.375 -6.825 3.344 1.00 0.00 N ATOM 399 CA VAL A 28 -9.367 -6.726 2.289 1.00 0.00 C ATOM 400 C VAL A 28 -9.811 -7.472 1.031 1.00 0.00 C ATOM 401 O VAL A 28 -9.971 -6.843 -0.003 1.00 0.00 O ATOM 402 CB VAL A 28 -7.995 -7.216 2.808 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.926 -7.235 1.710 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.472 -6.350 3.965 1.00 0.00 C ATOM 0 H VAL A 28 -9.973 -7.068 4.250 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.256 -5.679 2.008 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.172 -8.233 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.982 -7.587 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.240 -7.903 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.795 -6.229 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.506 -6.731 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.359 -5.320 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.180 -6.384 4.793 1.00 0.00 H new ATOM 414 N ALA A 29 -9.988 -8.792 1.075 1.00 0.00 N ATOM 415 CA ALA A 29 -10.236 -9.588 -0.136 1.00 0.00 C ATOM 416 C ALA A 29 -11.616 -9.321 -0.766 1.00 0.00 C ATOM 417 O ALA A 29 -11.960 -9.848 -1.823 1.00 0.00 O ATOM 418 CB ALA A 29 -10.153 -11.062 0.177 1.00 0.00 C ATOM 0 H ALA A 29 -9.965 -9.338 1.936 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.467 -9.288 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.339 -11.638 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.160 -11.297 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.900 -11.317 0.928 1.00 0.00 H new ATOM 424 N GLU A 30 -12.457 -8.574 -0.066 1.00 0.00 N ATOM 425 CA GLU A 30 -13.709 -8.040 -0.569 1.00 0.00 C ATOM 426 C GLU A 30 -13.492 -6.765 -1.403 1.00 0.00 C ATOM 427 O GLU A 30 -14.339 -6.441 -2.236 1.00 0.00 O ATOM 428 CB GLU A 30 -14.680 -7.890 0.617 1.00 0.00 C ATOM 429 CG GLU A 30 -15.683 -6.722 0.535 1.00 0.00 C ATOM 430 CD GLU A 30 -16.969 -6.950 1.332 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.158 -8.062 1.888 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.874 -6.098 1.263 1.00 0.00 O ATOM 0 H GLU A 30 -12.277 -8.315 0.904 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.169 -8.728 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.243 -8.818 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.092 -7.773 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.199 -5.815 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.941 -6.550 -0.510 1.00 0.00 H new ATOM 439 N LEU A 31 -12.371 -6.065 -1.215 1.00 0.00 N ATOM 440 CA LEU A 31 -11.943 -4.908 -1.990 1.00 0.00 C ATOM 441 C LEU A 31 -11.002 -5.368 -3.102 1.00 0.00 C ATOM 442 O LEU A 31 -11.069 -4.896 -4.238 1.00 0.00 O ATOM 443 CB LEU A 31 -11.185 -3.931 -1.071 1.00 0.00 C ATOM 444 CG LEU A 31 -11.949 -3.485 0.189 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.021 -2.622 1.035 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.218 -2.700 -0.153 1.00 0.00 C ATOM 0 H LEU A 31 -11.706 -6.306 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.815 -4.414 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.251 -4.400 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.922 -3.045 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.260 -4.374 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.545 -2.296 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.142 -3.202 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.710 -1.750 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.723 -2.407 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.952 -1.809 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.883 -3.325 -0.749 1.00 0.00 H new ATOM 458 N LEU A 32 -10.075 -6.265 -2.764 1.00 0.00 N ATOM 459 CA LEU A 32 -9.101 -6.823 -3.679 1.00 0.00 C ATOM 460 C LEU A 32 -9.757 -8.045 -4.289 1.00 0.00 C ATOM 461 O LEU A 32 -9.997 -9.020 -3.580 1.00 0.00 O ATOM 462 CB LEU A 32 -7.785 -7.207 -2.970 1.00 0.00 C ATOM 463 CG LEU A 32 -7.282 -6.268 -1.865 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.912 -6.721 -1.380 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.210 -4.808 -2.299 1.00 0.00 C ATOM 0 H LEU A 32 -9.986 -6.629 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.824 -6.088 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.912 -8.200 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.005 -7.286 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.012 -6.325 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.563 -6.049 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.983 -7.734 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.208 -6.705 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.847 -4.200 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.529 -4.713 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.203 -4.466 -2.592 1.00 0.00 H new ATOM 477 N VAL A 33 -10.029 -8.015 -5.587 1.00 0.00 N ATOM 478 CA VAL A 33 -10.703 -9.122 -6.263 1.00 0.00 C ATOM 479 C VAL A 33 -9.764 -9.791 -7.272 1.00 0.00 C ATOM 480 O VAL A 33 -10.005 -10.927 -7.683 1.00 0.00 O ATOM 481 CB VAL A 33 -12.007 -8.592 -6.894 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.865 -9.715 -7.490 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.884 -7.836 -5.876 1.00 0.00 C ATOM 0 H VAL A 33 -9.793 -7.233 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.972 -9.903 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.679 -7.914 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.771 -9.290 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.301 -10.231 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.134 -10.423 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.790 -7.483 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.152 -8.506 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.330 -6.985 -5.480 1.00 0.00 H new ATOM 493 N HIS A 34 -8.679 -9.109 -7.642 1.00 0.00 N ATOM 494 CA HIS A 34 -7.730 -9.569 -8.639 1.00 0.00 C ATOM 495 C HIS A 34 -6.309 -9.415 -8.113 1.00 0.00 C ATOM 496 O HIS A 34 -6.053 -8.655 -7.174 1.00 0.00 O ATOM 497 CB HIS A 34 -7.961 -8.791 -9.940 1.00 0.00 C ATOM 498 CG HIS A 34 -9.397 -8.873 -10.397 1.00 0.00 C ATOM 499 ND1 HIS A 34 -10.023 -10.007 -10.848 1.00 0.00 N ATOM 500 CD2 HIS A 34 -10.356 -7.911 -10.244 1.00 0.00 C ATOM 501 CE1 HIS A 34 -11.328 -9.735 -10.988 1.00 0.00 C ATOM 502 NE2 HIS A 34 -11.582 -8.460 -10.645 1.00 0.00 N ATOM 0 H HIS A 34 -8.436 -8.202 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.877 -10.628 -8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.686 -7.747 -9.792 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.309 -9.185 -10.719 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.197 -6.907 -9.879 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.071 -10.441 -11.329 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -12.485 -7.987 -10.671 1.00 0.00 H new ATOM 510 N SER A 35 -5.377 -10.162 -8.705 1.00 0.00 N ATOM 511 CA SER A 35 -3.978 -10.089 -8.326 1.00 0.00 C ATOM 512 C SER A 35 -3.462 -8.693 -8.670 1.00 0.00 C ATOM 513 O SER A 35 -3.575 -8.266 -9.823 1.00 0.00 O ATOM 514 CB SER A 35 -3.166 -11.186 -9.038 1.00 0.00 C ATOM 515 OG SER A 35 -2.266 -11.815 -8.140 1.00 0.00 O ATOM 0 H SER A 35 -5.574 -10.827 -9.453 1.00 0.00 H new ATOM 0 HA SER A 35 -3.867 -10.259 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.843 -11.929 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.611 -10.751 -9.870 1.00 0.00 H new ATOM 0 HG SER A 35 -1.762 -12.509 -8.614 1.00 0.00 H new ATOM 521 N GLY A 36 -2.890 -7.994 -7.692 1.00 0.00 N ATOM 522 CA GLY A 36 -2.287 -6.683 -7.893 1.00 0.00 C ATOM 523 C GLY A 36 -2.958 -5.578 -7.114 1.00 0.00 C ATOM 524 O GLY A 36 -2.325 -4.541 -6.907 1.00 0.00 O ATOM 0 H GLY A 36 -2.833 -8.327 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.236 -6.729 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.319 -6.438 -8.955 1.00 0.00 H new ATOM 528 N ASP A 37 -4.223 -5.773 -6.744 1.00 0.00 N ATOM 529 CA ASP A 37 -4.985 -4.813 -5.961 1.00 0.00 C ATOM 530 C ASP A 37 -4.299 -4.703 -4.600 1.00 0.00 C ATOM 531 O ASP A 37 -3.954 -5.729 -4.007 1.00 0.00 O ATOM 532 CB ASP A 37 -6.472 -5.221 -5.884 1.00 0.00 C ATOM 533 CG ASP A 37 -7.255 -4.760 -7.117 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.014 -5.293 -8.221 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.128 -3.869 -6.981 1.00 0.00 O ATOM 0 H ASP A 37 -4.750 -6.613 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.996 -3.827 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.547 -6.304 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.920 -4.792 -4.988 1.00 0.00 H new ATOM 540 N PHE A 38 -4.094 -3.479 -4.098 1.00 0.00 N ATOM 541 CA PHE A 38 -3.606 -3.207 -2.749 1.00 0.00 C ATOM 542 C PHE A 38 -4.389 -2.053 -2.114 1.00 0.00 C ATOM 543 O PHE A 38 -4.966 -1.216 -2.812 1.00 0.00 O ATOM 544 CB PHE A 38 -2.088 -2.906 -2.737 1.00 0.00 C ATOM 545 CG PHE A 38 -1.685 -1.660 -3.495 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.700 -0.399 -2.870 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.332 -1.765 -4.853 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.417 0.757 -3.616 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.091 -0.608 -5.603 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.143 0.656 -4.991 1.00 0.00 C ATOM 0 H PHE A 38 -4.269 -2.631 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.766 -4.107 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.759 -2.808 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.559 -3.760 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.929 -0.320 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.247 -2.737 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.410 1.723 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.864 -0.687 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.973 1.548 -5.576 1.00 0.00 H new ATOM 560 N LEU A 39 -4.343 -1.978 -0.779 1.00 0.00 N ATOM 561 CA LEU A 39 -4.826 -0.883 0.052 1.00 0.00 C ATOM 562 C LEU A 39 -3.888 -0.718 1.256 1.00 0.00 C ATOM 563 O LEU A 39 -3.072 -1.605 1.535 1.00 0.00 O ATOM 564 CB LEU A 39 -6.280 -1.157 0.474 1.00 0.00 C ATOM 565 CG LEU A 39 -6.424 -2.271 1.537 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.807 -1.692 2.888 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.428 -3.353 1.146 1.00 0.00 C ATOM 0 H LEU A 39 -3.941 -2.731 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.823 0.054 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.714 -0.237 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.858 -1.433 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.444 -2.743 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.901 -2.498 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.036 -0.995 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.759 -1.167 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.480 -4.103 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.411 -2.904 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.110 -3.826 0.217 1.00 0.00 H new ATOM 579 N VAL A 40 -4.006 0.391 1.990 1.00 0.00 N ATOM 580 CA VAL A 40 -3.099 0.750 3.089 1.00 0.00 C ATOM 581 C VAL A 40 -3.932 0.980 4.336 1.00 0.00 C ATOM 582 O VAL A 40 -4.475 2.067 4.536 1.00 0.00 O ATOM 583 CB VAL A 40 -2.249 1.974 2.708 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.345 2.434 3.868 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.409 1.631 1.471 1.00 0.00 C ATOM 0 H VAL A 40 -4.745 1.077 1.837 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.394 -0.057 3.288 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.919 2.804 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.763 3.301 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.962 2.702 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.670 1.625 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.802 2.493 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.758 0.786 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.069 1.370 0.644 1.00 0.00 H new ATOM 595 N ARG A 41 -4.177 -0.079 5.105 1.00 0.00 N ATOM 596 CA ARG A 41 -5.082 -0.021 6.251 1.00 0.00 C ATOM 597 C ARG A 41 -4.322 0.350 7.503 1.00 0.00 C ATOM 598 O ARG A 41 -3.112 0.179 7.547 1.00 0.00 O ATOM 599 CB ARG A 41 -5.851 -1.341 6.435 1.00 0.00 C ATOM 600 CG ARG A 41 -4.881 -2.487 6.758 1.00 0.00 C ATOM 601 CD ARG A 41 -5.486 -3.879 6.671 1.00 0.00 C ATOM 602 NE ARG A 41 -6.197 -4.211 7.906 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.965 -5.200 8.767 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.114 -6.172 8.440 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.587 -5.190 9.943 1.00 0.00 N ATOM 0 H ARG A 41 -3.757 -0.996 4.953 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.823 0.755 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.579 -1.236 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.409 -1.573 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.034 -2.431 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.488 -2.339 7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.172 -3.931 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.700 -4.612 6.489 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.979 -3.600 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.645 -6.156 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.932 -6.932 9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.230 -4.433 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.421 -5.940 10.614 1.00 0.00 H new ATOM 619 N GLU A 42 -5.008 0.789 8.545 1.00 0.00 N ATOM 620 CA GLU A 42 -4.400 1.016 9.849 1.00 0.00 C ATOM 621 C GLU A 42 -4.415 -0.284 10.670 1.00 0.00 C ATOM 622 O GLU A 42 -5.155 -1.226 10.371 1.00 0.00 O ATOM 623 CB GLU A 42 -5.148 2.186 10.489 1.00 0.00 C ATOM 624 CG GLU A 42 -4.508 2.773 11.755 1.00 0.00 C ATOM 625 CD GLU A 42 -5.603 3.400 12.625 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.445 2.662 13.186 1.00 0.00 O ATOM 627 OE2 GLU A 42 -5.652 4.650 12.736 1.00 0.00 O ATOM 0 H GLU A 42 -6.006 0.999 8.512 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.346 1.287 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.242 2.981 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.158 1.857 10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.988 1.992 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.764 3.524 11.487 1.00 0.00 H new ATOM 634 N SER A 43 -3.570 -0.351 11.697 1.00 0.00 N ATOM 635 CA SER A 43 -3.564 -1.333 12.774 1.00 0.00 C ATOM 636 C SER A 43 -4.839 -1.248 13.613 1.00 0.00 C ATOM 637 O SER A 43 -5.485 -0.200 13.652 1.00 0.00 O ATOM 638 CB SER A 43 -2.325 -1.032 13.617 1.00 0.00 C ATOM 639 OG SER A 43 -2.066 -2.056 14.552 1.00 0.00 O ATOM 0 H SER A 43 -2.818 0.330 11.804 1.00 0.00 H new ATOM 0 HA SER A 43 -3.534 -2.348 12.378 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.461 -0.910 12.963 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.463 -0.087 14.142 1.00 0.00 H new ATOM 0 HG SER A 43 -1.131 -2.007 14.840 1.00 0.00 H new ATOM 645 N GLN A 44 -5.206 -2.334 14.304 1.00 0.00 N ATOM 646 CA GLN A 44 -6.278 -2.306 15.288 1.00 0.00 C ATOM 647 C GLN A 44 -5.771 -1.617 16.562 1.00 0.00 C ATOM 648 O GLN A 44 -5.210 -2.255 17.462 1.00 0.00 O ATOM 649 CB GLN A 44 -6.894 -3.697 15.552 1.00 0.00 C ATOM 650 CG GLN A 44 -5.903 -4.855 15.757 1.00 0.00 C ATOM 651 CD GLN A 44 -6.548 -6.055 16.448 1.00 0.00 C ATOM 652 OE1 GLN A 44 -7.377 -6.766 15.881 1.00 0.00 O ATOM 653 NE2 GLN A 44 -6.150 -6.379 17.667 1.00 0.00 N ATOM 0 H GLN A 44 -4.767 -3.248 14.193 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.106 -1.722 14.885 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.527 -3.628 16.437 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.544 -3.948 14.714 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.506 -5.165 14.791 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.059 -4.507 16.352 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.463 -5.800 18.150 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.530 -7.208 18.124 1.00 0.00 H new ATOM 662 N GLY A 45 -5.975 -0.304 16.654 1.00 0.00 N ATOM 663 CA GLY A 45 -5.717 0.453 17.868 1.00 0.00 C ATOM 664 C GLY A 45 -4.269 0.924 18.000 1.00 0.00 C ATOM 665 O GLY A 45 -3.857 1.207 19.125 1.00 0.00 O ATOM 0 H GLY A 45 -6.326 0.263 15.882 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.376 1.321 17.892 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.970 -0.163 18.731 1.00 0.00 H new ATOM 669 N LYS A 46 -3.463 0.958 16.931 1.00 0.00 N ATOM 670 CA LYS A 46 -2.094 1.489 16.963 1.00 0.00 C ATOM 671 C LYS A 46 -1.929 2.518 15.857 1.00 0.00 C ATOM 672 O LYS A 46 -2.575 2.410 14.817 1.00 0.00 O ATOM 673 CB LYS A 46 -1.024 0.394 16.775 1.00 0.00 C ATOM 674 CG LYS A 46 -1.166 -0.859 17.645 1.00 0.00 C ATOM 675 CD LYS A 46 -0.893 -0.549 19.118 1.00 0.00 C ATOM 676 CE LYS A 46 -1.026 -1.812 19.968 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.041 -1.475 21.403 1.00 0.00 N ATOM 0 H LYS A 46 -3.745 0.615 16.013 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.947 1.934 17.947 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.032 0.086 15.730 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.047 0.835 16.970 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.171 -1.267 17.538 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.473 -1.625 17.298 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.109 -0.134 19.228 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.592 0.209 19.471 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.943 -2.339 19.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.197 -2.488 19.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.132 -2.346 21.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.155 -0.992 21.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.846 -0.849 21.604 1.00 0.00 H new ATOM 691 N GLN A 47 -1.001 3.452 16.059 1.00 0.00 N ATOM 692 CA GLN A 47 -0.544 4.397 15.055 1.00 0.00 C ATOM 693 C GLN A 47 0.441 3.671 14.131 1.00 0.00 C ATOM 694 O GLN A 47 1.626 4.003 14.093 1.00 0.00 O ATOM 695 CB GLN A 47 0.070 5.641 15.731 1.00 0.00 C ATOM 696 CG GLN A 47 -0.991 6.499 16.437 1.00 0.00 C ATOM 697 CD GLN A 47 -1.825 7.332 15.466 1.00 0.00 C ATOM 698 OE1 GLN A 47 -2.676 6.799 14.759 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.579 8.627 15.350 1.00 0.00 N ATOM 0 H GLN A 47 -0.534 3.571 16.958 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.375 4.761 14.452 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.821 5.326 16.455 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.583 6.244 14.982 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.652 5.850 17.011 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.500 7.163 17.148 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.872 9.066 15.939 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.097 9.186 14.672 1.00 0.00 H new ATOM 708 N GLU A 48 -0.035 2.640 13.435 1.00 0.00 N ATOM 709 CA GLU A 48 0.715 1.868 12.461 1.00 0.00 C ATOM 710 C GLU A 48 -0.207 1.573 11.266 1.00 0.00 C ATOM 711 O GLU A 48 -1.433 1.546 11.429 1.00 0.00 O ATOM 712 CB GLU A 48 1.192 0.604 13.193 1.00 0.00 C ATOM 713 CG GLU A 48 1.771 -0.467 12.286 1.00 0.00 C ATOM 714 CD GLU A 48 3.102 -0.015 11.681 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.081 0.844 10.781 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.152 -0.476 12.198 1.00 0.00 O ATOM 0 H GLU A 48 -0.994 2.311 13.543 1.00 0.00 H new ATOM 0 HA GLU A 48 1.585 2.389 12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.946 0.887 13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.353 0.180 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.919 -1.387 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.064 -0.694 11.488 1.00 0.00 H new ATOM 723 N TYR A 49 0.359 1.326 10.080 1.00 0.00 N ATOM 724 CA TYR A 49 -0.361 0.922 8.875 1.00 0.00 C ATOM 725 C TYR A 49 0.077 -0.479 8.415 1.00 0.00 C ATOM 726 O TYR A 49 1.123 -0.993 8.805 1.00 0.00 O ATOM 727 CB TYR A 49 -0.194 1.971 7.762 1.00 0.00 C ATOM 728 CG TYR A 49 -0.807 3.341 8.005 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.190 3.470 8.219 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.009 4.499 7.947 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.768 4.727 8.459 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.586 5.770 8.121 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.963 5.885 8.403 1.00 0.00 C ATOM 734 OH TYR A 49 -2.518 7.113 8.580 1.00 0.00 O ATOM 0 H TYR A 49 1.365 1.405 9.931 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.423 0.865 9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.872 2.105 7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.625 1.565 6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.817 2.591 8.199 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.052 4.411 7.768 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.821 4.807 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.025 6.657 8.039 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.407 7.133 8.167 1.00 0.00 H new ATOM 744 N VAL A 50 -0.725 -1.113 7.562 1.00 0.00 N ATOM 745 CA VAL A 50 -0.540 -2.436 6.986 1.00 0.00 C ATOM 746 C VAL A 50 -0.868 -2.321 5.498 1.00 0.00 C ATOM 747 O VAL A 50 -1.941 -1.856 5.112 1.00 0.00 O ATOM 748 CB VAL A 50 -1.463 -3.454 7.689 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.558 -4.809 6.974 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.025 -3.747 9.122 1.00 0.00 C ATOM 0 H VAL A 50 -1.587 -0.678 7.233 1.00 0.00 H new ATOM 0 HA VAL A 50 0.482 -2.790 7.119 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.436 -2.963 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.225 -5.468 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.949 -4.663 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.567 -5.260 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.708 -4.469 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.015 -4.157 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.039 -2.825 9.703 1.00 0.00 H new ATOM 760 N LEU A 51 0.062 -2.737 4.654 1.00 0.00 N ATOM 761 CA LEU A 51 -0.137 -2.946 3.241 1.00 0.00 C ATOM 762 C LEU A 51 -0.875 -4.256 3.059 1.00 0.00 C ATOM 763 O LEU A 51 -0.407 -5.306 3.501 1.00 0.00 O ATOM 764 CB LEU A 51 1.240 -3.025 2.572 1.00 0.00 C ATOM 765 CG LEU A 51 1.243 -2.913 1.045 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.560 -1.634 0.552 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.709 -2.876 0.611 1.00 0.00 C ATOM 0 H LEU A 51 1.014 -2.945 4.954 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.714 -2.135 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.867 -2.231 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.705 -3.971 2.850 1.00 0.00 H new ATOM 0 HG LEU A 51 0.695 -3.756 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.589 -1.603 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.477 -1.623 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.081 -0.765 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.765 -2.796 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.201 -2.015 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.207 -3.790 0.934 1.00 0.00 H new ATOM 779 N SER A 52 -2.049 -4.196 2.448 1.00 0.00 N ATOM 780 CA SER A 52 -2.856 -5.378 2.202 1.00 0.00 C ATOM 781 C SER A 52 -2.982 -5.511 0.698 1.00 0.00 C ATOM 782 O SER A 52 -3.444 -4.568 0.066 1.00 0.00 O ATOM 783 CB SER A 52 -4.197 -5.284 2.927 1.00 0.00 C ATOM 784 OG SER A 52 -4.016 -4.672 4.189 1.00 0.00 O ATOM 0 H SER A 52 -2.466 -3.329 2.110 1.00 0.00 H new ATOM 0 HA SER A 52 -2.392 -6.280 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.904 -4.707 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.624 -6.279 3.053 1.00 0.00 H new ATOM 0 HG SER A 52 -4.421 -3.780 4.181 1.00 0.00 H new ATOM 790 N VAL A 53 -2.480 -6.600 0.121 1.00 0.00 N ATOM 791 CA VAL A 53 -2.268 -6.748 -1.313 1.00 0.00 C ATOM 792 C VAL A 53 -2.550 -8.198 -1.699 1.00 0.00 C ATOM 793 O VAL A 53 -2.160 -9.117 -0.973 1.00 0.00 O ATOM 794 CB VAL A 53 -0.848 -6.261 -1.670 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.239 -6.875 -0.774 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.504 -6.485 -3.152 1.00 0.00 C ATOM 0 H VAL A 53 -2.203 -7.425 0.654 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.953 -6.130 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.861 -5.187 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.215 -6.494 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.048 -6.607 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.225 -7.960 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.506 -6.125 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.561 -7.549 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.212 -5.940 -3.776 1.00 0.00 H new ATOM 806 N LEU A 54 -3.277 -8.405 -2.797 1.00 0.00 N ATOM 807 CA LEU A 54 -3.791 -9.705 -3.203 1.00 0.00 C ATOM 808 C LEU A 54 -2.841 -10.300 -4.220 1.00 0.00 C ATOM 809 O LEU A 54 -2.673 -9.743 -5.304 1.00 0.00 O ATOM 810 CB LEU A 54 -5.216 -9.531 -3.735 1.00 0.00 C ATOM 811 CG LEU A 54 -5.969 -10.809 -4.144 1.00 0.00 C ATOM 812 CD1 LEU A 54 -5.935 -11.916 -3.094 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.403 -10.450 -4.470 1.00 0.00 C ATOM 0 H LEU A 54 -3.528 -7.654 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.848 -10.400 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.803 -9.022 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.176 -8.869 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.455 -11.213 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.488 -12.781 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.901 -12.202 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.391 -11.557 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.946 -11.349 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.876 -10.009 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.421 -9.733 -5.291 1.00 0.00 H new ATOM 825 N TRP A 55 -2.207 -11.414 -3.863 1.00 0.00 N ATOM 826 CA TRP A 55 -1.164 -12.023 -4.664 1.00 0.00 C ATOM 827 C TRP A 55 -1.395 -13.521 -4.713 1.00 0.00 C ATOM 828 O TRP A 55 -1.418 -14.159 -3.659 1.00 0.00 O ATOM 829 CB TRP A 55 0.195 -11.701 -4.038 1.00 0.00 C ATOM 830 CG TRP A 55 1.359 -11.783 -4.969 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.451 -12.557 -4.810 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.580 -11.026 -6.192 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.363 -12.280 -5.807 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.898 -11.302 -6.662 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.813 -10.099 -6.923 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.469 -10.600 -7.734 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.339 -9.477 -8.065 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.670 -9.705 -8.455 1.00 0.00 C ATOM 0 H TRP A 55 -2.409 -11.919 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.181 -11.632 -5.681 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.155 -10.695 -3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.366 -12.386 -3.207 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.590 -13.283 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.268 -12.741 -5.901 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.191 -9.864 -6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.506 -10.747 -7.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.716 -8.817 -8.650 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.077 -9.189 -9.312 1.00 0.00 H new ATOM 849 N ASP A 56 -1.534 -14.079 -5.917 1.00 0.00 N ATOM 850 CA ASP A 56 -1.691 -15.518 -6.155 1.00 0.00 C ATOM 851 C ASP A 56 -2.892 -16.116 -5.399 1.00 0.00 C ATOM 852 O ASP A 56 -2.910 -17.307 -5.080 1.00 0.00 O ATOM 853 CB ASP A 56 -0.352 -16.242 -5.885 1.00 0.00 C ATOM 854 CG ASP A 56 0.632 -16.177 -7.052 1.00 0.00 C ATOM 855 OD1 ASP A 56 0.216 -16.214 -8.232 1.00 0.00 O ATOM 856 OD2 ASP A 56 1.858 -16.117 -6.799 1.00 0.00 O ATOM 0 H ASP A 56 -1.541 -13.530 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.936 -15.676 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.116 -15.804 -5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.556 -17.287 -5.652 1.00 0.00 H new ATOM 861 N GLY A 57 -3.906 -15.299 -5.102 1.00 0.00 N ATOM 862 CA GLY A 57 -5.111 -15.695 -4.383 1.00 0.00 C ATOM 863 C GLY A 57 -5.020 -15.484 -2.874 1.00 0.00 C ATOM 864 O GLY A 57 -5.960 -15.841 -2.163 1.00 0.00 O ATOM 0 H GLY A 57 -3.907 -14.314 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.958 -15.128 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.314 -16.747 -4.583 1.00 0.00 H new ATOM 868 N LEU A 58 -3.930 -14.902 -2.363 1.00 0.00 N ATOM 869 CA LEU A 58 -3.729 -14.660 -0.939 1.00 0.00 C ATOM 870 C LEU A 58 -3.588 -13.150 -0.707 1.00 0.00 C ATOM 871 O LEU A 58 -2.546 -12.582 -1.042 1.00 0.00 O ATOM 872 CB LEU A 58 -2.508 -15.449 -0.451 1.00 0.00 C ATOM 873 CG LEU A 58 -2.348 -15.672 1.063 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.244 -14.373 1.860 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.451 -16.561 1.645 1.00 0.00 C ATOM 0 H LEU A 58 -3.153 -14.582 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.585 -15.007 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.529 -16.427 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.615 -14.937 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.397 -16.194 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.133 -14.604 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.378 -13.806 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.147 -13.781 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.290 -16.686 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.422 -16.095 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.427 -17.536 1.158 1.00 0.00 H new ATOM 887 N PRO A 59 -4.589 -12.486 -0.109 1.00 0.00 N ATOM 888 CA PRO A 59 -4.473 -11.130 0.416 1.00 0.00 C ATOM 889 C PRO A 59 -3.500 -11.091 1.599 1.00 0.00 C ATOM 890 O PRO A 59 -3.872 -11.301 2.760 1.00 0.00 O ATOM 891 CB PRO A 59 -5.890 -10.703 0.784 1.00 0.00 C ATOM 892 CG PRO A 59 -6.569 -12.027 1.106 1.00 0.00 C ATOM 893 CD PRO A 59 -5.855 -13.076 0.284 1.00 0.00 C ATOM 0 HA PRO A 59 -4.056 -10.434 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.899 -10.026 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.383 -10.185 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.499 -12.252 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.629 -11.992 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.698 -13.985 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.444 -13.353 -0.590 1.00 0.00 H new ATOM 901 N ARG A 60 -2.225 -10.851 1.296 1.00 0.00 N ATOM 902 CA ARG A 60 -1.164 -10.649 2.276 1.00 0.00 C ATOM 903 C ARG A 60 -1.462 -9.378 3.066 1.00 0.00 C ATOM 904 O ARG A 60 -2.182 -8.505 2.585 1.00 0.00 O ATOM 905 CB ARG A 60 0.175 -10.501 1.542 1.00 0.00 C ATOM 906 CG ARG A 60 0.583 -11.707 0.674 1.00 0.00 C ATOM 907 CD ARG A 60 1.193 -12.809 1.545 1.00 0.00 C ATOM 908 NE ARG A 60 1.463 -14.030 0.773 1.00 0.00 N ATOM 909 CZ ARG A 60 2.173 -15.079 1.203 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.833 -15.036 2.357 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.226 -16.195 0.489 1.00 0.00 N ATOM 0 H ARG A 60 -1.894 -10.790 0.333 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.110 -11.499 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.127 -9.616 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.958 -10.323 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.288 -12.093 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.302 -11.392 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.120 -12.448 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.514 -13.041 2.366 1.00 0.00 H new ATOM 0 HE ARG A 60 1.077 -14.082 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.803 -14.193 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.369 -15.846 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.723 -16.259 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.770 -16.990 0.825 1.00 0.00 H new ATOM 925 N HIS A 61 -0.864 -9.243 4.248 1.00 0.00 N ATOM 926 CA HIS A 61 -1.069 -8.127 5.163 1.00 0.00 C ATOM 927 C HIS A 61 0.246 -7.724 5.850 1.00 0.00 C ATOM 928 O HIS A 61 0.414 -7.832 7.068 1.00 0.00 O ATOM 929 CB HIS A 61 -2.195 -8.491 6.136 1.00 0.00 C ATOM 930 CG HIS A 61 -1.965 -9.744 6.955 1.00 0.00 C ATOM 931 ND1 HIS A 61 -1.132 -9.838 8.041 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.459 -10.996 6.712 1.00 0.00 C ATOM 933 CE1 HIS A 61 -1.111 -11.114 8.445 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.957 -11.857 7.705 1.00 0.00 N ATOM 0 H HIS A 61 -0.202 -9.932 4.605 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.382 -7.237 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.348 -7.654 6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.118 -8.612 5.569 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.617 -9.068 8.467 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.117 -11.274 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.501 -11.495 9.251 1.00 0.00 H new ATOM 942 N PHE A 62 1.221 -7.314 5.050 1.00 0.00 N ATOM 943 CA PHE A 62 2.517 -6.848 5.513 1.00 0.00 C ATOM 944 C PHE A 62 2.309 -5.526 6.238 1.00 0.00 C ATOM 945 O PHE A 62 1.729 -4.601 5.683 1.00 0.00 O ATOM 946 CB PHE A 62 3.479 -6.641 4.332 1.00 0.00 C ATOM 947 CG PHE A 62 3.571 -7.803 3.364 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.361 -8.929 3.668 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.857 -7.757 2.152 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.435 -10.004 2.764 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.954 -8.819 1.238 1.00 0.00 C ATOM 952 CZ PHE A 62 3.733 -9.950 1.547 1.00 0.00 C ATOM 0 H PHE A 62 1.128 -7.297 4.034 1.00 0.00 H new ATOM 0 HA PHE A 62 2.956 -7.592 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.167 -5.754 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.475 -6.438 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.911 -8.967 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.234 -6.905 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.031 -10.872 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.429 -8.768 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.791 -10.774 0.851 1.00 0.00 H new ATOM 962 N ILE A 63 2.822 -5.390 7.452 1.00 0.00 N ATOM 963 CA ILE A 63 2.945 -4.080 8.092 1.00 0.00 C ATOM 964 C ILE A 63 3.712 -3.136 7.152 1.00 0.00 C ATOM 965 O ILE A 63 4.619 -3.562 6.422 1.00 0.00 O ATOM 966 CB ILE A 63 3.551 -4.241 9.502 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.463 -4.771 10.459 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.153 -2.953 10.072 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.558 -3.703 11.088 1.00 0.00 C ATOM 0 H ILE A 63 3.161 -6.168 8.017 1.00 0.00 H new ATOM 0 HA ILE A 63 1.972 -3.616 8.255 1.00 0.00 H new ATOM 0 HB ILE A 63 4.377 -4.946 9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.837 -5.477 9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.949 -5.328 11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.558 -3.149 11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.951 -2.604 9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.379 -2.189 10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.830 -4.182 11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.165 -3.008 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.036 -3.159 10.301 1.00 0.00 H new ATOM 981 N ILE A 64 3.314 -1.864 7.130 1.00 0.00 N ATOM 982 CA ILE A 64 4.010 -0.821 6.400 1.00 0.00 C ATOM 983 C ILE A 64 5.421 -0.678 6.965 1.00 0.00 C ATOM 984 O ILE A 64 5.815 -1.230 7.992 1.00 0.00 O ATOM 985 CB ILE A 64 3.157 0.479 6.380 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.886 0.262 5.538 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.859 1.760 5.896 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.143 0.166 4.046 1.00 0.00 C ATOM 0 H ILE A 64 2.488 -1.532 7.627 1.00 0.00 H new ATOM 0 HA ILE A 64 4.137 -1.079 5.349 1.00 0.00 H new ATOM 0 HB ILE A 64 2.935 0.658 7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.394 -0.652 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.194 1.083 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.158 2.594 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.710 1.975 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.207 1.620 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.199 0.013 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.606 1.089 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.809 -0.673 3.845 1.00 0.00 H new ATOM 1000 N GLN A 65 6.256 -0.006 6.203 1.00 0.00 N ATOM 1001 CA GLN A 65 7.615 0.261 6.556 1.00 0.00 C ATOM 1002 C GLN A 65 7.662 1.351 7.618 1.00 0.00 C ATOM 1003 O GLN A 65 6.712 2.105 7.758 1.00 0.00 O ATOM 1004 CB GLN A 65 8.344 0.712 5.300 1.00 0.00 C ATOM 1005 CG GLN A 65 7.967 -0.008 3.983 1.00 0.00 C ATOM 1006 CD GLN A 65 6.649 0.388 3.315 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.637 -0.299 3.445 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.615 1.491 2.588 1.00 0.00 N ATOM 0 H GLN A 65 5.991 0.377 5.296 1.00 0.00 H new ATOM 0 HA GLN A 65 8.091 -0.632 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.166 1.779 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.414 0.585 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.771 0.159 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.935 -1.079 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.456 2.058 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.748 1.775 2.133 1.00 0.00 H new ATOM 1017 N SER A 66 8.796 1.504 8.290 1.00 0.00 N ATOM 1018 CA SER A 66 9.056 2.554 9.261 1.00 0.00 C ATOM 1019 C SER A 66 10.480 2.301 9.753 1.00 0.00 C ATOM 1020 O SER A 66 10.833 1.162 10.073 1.00 0.00 O ATOM 1021 CB SER A 66 8.023 2.468 10.395 1.00 0.00 C ATOM 1022 OG SER A 66 8.288 3.350 11.462 1.00 0.00 O ATOM 0 H SER A 66 9.589 0.875 8.167 1.00 0.00 H new ATOM 0 HA SER A 66 8.970 3.557 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.033 2.684 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.996 1.447 10.776 1.00 0.00 H new ATOM 0 HG SER A 66 7.597 3.249 12.149 1.00 0.00 H new ATOM 1028 N LEU A 67 11.309 3.343 9.772 1.00 0.00 N ATOM 1029 CA LEU A 67 12.661 3.298 10.320 1.00 0.00 C ATOM 1030 C LEU A 67 12.956 4.486 11.226 1.00 0.00 C ATOM 1031 O LEU A 67 13.312 4.278 12.384 1.00 0.00 O ATOM 1032 CB LEU A 67 13.733 3.142 9.231 1.00 0.00 C ATOM 1033 CG LEU A 67 13.566 4.041 7.986 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.925 4.187 7.300 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.569 3.448 6.986 1.00 0.00 C ATOM 0 H LEU A 67 11.054 4.258 9.400 1.00 0.00 H new ATOM 0 HA LEU A 67 12.705 2.402 10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.707 3.347 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.744 2.102 8.905 1.00 0.00 H new ATOM 0 HG LEU A 67 13.183 5.008 8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.822 4.820 6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.635 4.641 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.289 3.204 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.480 4.110 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.921 2.470 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.595 3.341 7.463 1.00 0.00 H new ATOM 1047 N ASP A 68 12.830 5.720 10.730 1.00 0.00 N ATOM 1048 CA ASP A 68 13.039 6.902 11.564 1.00 0.00 C ATOM 1049 C ASP A 68 12.030 7.989 11.235 1.00 0.00 C ATOM 1050 O ASP A 68 11.289 8.423 12.115 1.00 0.00 O ATOM 1051 CB ASP A 68 14.457 7.446 11.381 1.00 0.00 C ATOM 1052 CG ASP A 68 15.418 6.883 12.412 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.433 7.387 13.558 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.192 5.964 12.054 1.00 0.00 O ATOM 0 H ASP A 68 12.586 5.924 9.761 1.00 0.00 H new ATOM 0 HA ASP A 68 12.902 6.601 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.813 7.200 10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.441 8.533 11.456 1.00 0.00 H new ATOM 1059 N ASN A 69 12.028 8.436 9.980 1.00 0.00 N ATOM 1060 CA ASN A 69 11.120 9.438 9.429 1.00 0.00 C ATOM 1061 C ASN A 69 10.883 9.147 7.938 1.00 0.00 C ATOM 1062 O ASN A 69 10.772 10.044 7.106 1.00 0.00 O ATOM 1063 CB ASN A 69 11.705 10.841 9.658 1.00 0.00 C ATOM 1064 CG ASN A 69 10.705 11.909 9.236 1.00 0.00 C ATOM 1065 OD1 ASN A 69 9.549 11.886 9.646 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.115 12.874 8.435 1.00 0.00 N ATOM 0 H ASN A 69 12.692 8.092 9.287 1.00 0.00 H new ATOM 0 HA ASN A 69 10.155 9.396 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.960 10.968 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.629 10.954 9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.469 13.610 8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.078 12.884 8.100 1.00 0.00 H new ATOM 1073 N LEU A 70 10.996 7.870 7.565 1.00 0.00 N ATOM 1074 CA LEU A 70 10.874 7.383 6.200 1.00 0.00 C ATOM 1075 C LEU A 70 10.160 6.037 6.229 1.00 0.00 C ATOM 1076 O LEU A 70 9.893 5.495 7.308 1.00 0.00 O ATOM 1077 CB LEU A 70 12.247 7.192 5.521 1.00 0.00 C ATOM 1078 CG LEU A 70 13.273 8.332 5.671 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.668 7.718 5.598 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.071 9.424 4.619 1.00 0.00 C ATOM 0 H LEU A 70 11.182 7.124 8.235 1.00 0.00 H new ATOM 0 HA LEU A 70 10.317 8.125 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.695 6.280 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.077 7.028 4.457 1.00 0.00 H new ATOM 0 HG LEU A 70 13.139 8.827 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.417 8.503 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.789 6.993 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.796 7.219 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.815 10.208 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.182 8.995 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.072 9.848 4.722 1.00 0.00 H new ATOM 1092 N TYR A 71 9.963 5.454 5.048 1.00 0.00 N ATOM 1093 CA TYR A 71 9.291 4.180 4.841 1.00 0.00 C ATOM 1094 C TYR A 71 10.073 3.428 3.753 1.00 0.00 C ATOM 1095 O TYR A 71 10.125 3.941 2.647 1.00 0.00 O ATOM 1096 CB TYR A 71 7.842 4.475 4.380 1.00 0.00 C ATOM 1097 CG TYR A 71 7.097 5.499 5.213 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.422 5.109 6.380 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.104 6.854 4.840 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.755 6.057 7.172 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.462 7.815 5.634 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.779 7.419 6.803 1.00 0.00 C ATOM 1103 OH TYR A 71 5.123 8.349 7.547 1.00 0.00 O ATOM 0 H TYR A 71 10.282 5.876 4.176 1.00 0.00 H new ATOM 0 HA TYR A 71 9.254 3.575 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.870 4.821 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.278 3.543 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.416 4.069 6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.608 7.158 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.226 5.745 8.060 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.490 8.857 5.351 1.00 0.00 H new ATOM 0 HH TYR A 71 5.248 9.235 7.147 1.00 0.00 H new ATOM 1113 N ARG A 72 10.707 2.276 4.017 1.00 0.00 N ATOM 1114 CA ARG A 72 11.527 1.500 3.059 1.00 0.00 C ATOM 1115 C ARG A 72 11.177 0.007 3.104 1.00 0.00 C ATOM 1116 O ARG A 72 10.988 -0.523 4.201 1.00 0.00 O ATOM 1117 CB ARG A 72 13.018 1.698 3.400 1.00 0.00 C ATOM 1118 CG ARG A 72 13.431 1.126 4.768 1.00 0.00 C ATOM 1119 CD ARG A 72 14.007 -0.283 4.703 1.00 0.00 C ATOM 1120 NE ARG A 72 15.403 -0.236 4.275 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.232 -1.263 4.129 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.795 -2.516 4.210 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.506 -0.989 3.908 1.00 0.00 N ATOM 0 H ARG A 72 10.665 1.838 4.937 1.00 0.00 H new ATOM 0 HA ARG A 72 11.319 1.860 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.623 1.228 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.246 2.764 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.169 1.789 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.562 1.122 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.934 -0.759 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.426 -0.890 4.009 1.00 0.00 H new ATOM 0 HE ARG A 72 15.783 0.687 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.808 -2.701 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.447 -3.292 4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.817 -0.019 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.178 -1.747 3.790 1.00 0.00 H new ATOM 1137 N LEU A 73 11.082 -0.697 1.970 1.00 0.00 N ATOM 1138 CA LEU A 73 10.616 -2.097 1.948 1.00 0.00 C ATOM 1139 C LEU A 73 11.560 -3.035 1.216 1.00 0.00 C ATOM 1140 O LEU A 73 11.643 -4.213 1.566 1.00 0.00 O ATOM 1141 CB LEU A 73 9.232 -2.172 1.306 1.00 0.00 C ATOM 1142 CG LEU A 73 8.479 -3.485 1.486 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.245 -3.926 2.936 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.166 -3.263 0.780 1.00 0.00 C ATOM 0 H LEU A 73 11.321 -0.323 1.052 1.00 0.00 H new ATOM 0 HA LEU A 73 10.579 -2.427 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.621 -1.367 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.338 -1.981 0.238 1.00 0.00 H new ATOM 0 HG LEU A 73 9.078 -4.300 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.702 -4.871 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.205 -4.054 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.662 -3.167 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.554 -4.162 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.642 -2.426 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.351 -3.040 -0.271 1.00 0.00 H new ATOM 1156 N GLU A 74 12.320 -2.514 0.262 1.00 0.00 N ATOM 1157 CA GLU A 74 13.453 -3.215 -0.306 1.00 0.00 C ATOM 1158 C GLU A 74 14.689 -2.310 -0.238 1.00 0.00 C ATOM 1159 O GLU A 74 15.631 -2.607 0.498 1.00 0.00 O ATOM 1160 CB GLU A 74 13.179 -3.737 -1.729 1.00 0.00 C ATOM 1161 CG GLU A 74 14.432 -4.401 -2.328 1.00 0.00 C ATOM 1162 CD GLU A 74 14.209 -5.802 -2.896 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.070 -6.750 -2.084 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.380 -5.982 -4.120 1.00 0.00 O ATOM 0 H GLU A 74 12.163 -1.589 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 74 13.641 -4.110 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.360 -4.456 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.861 -2.912 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.821 -3.761 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.200 -4.456 -1.557 1.00 0.00 H new ATOM 1171 N GLY A 75 14.708 -1.243 -1.043 1.00 0.00 N ATOM 1172 CA GLY A 75 15.924 -0.532 -1.407 1.00 0.00 C ATOM 1173 C GLY A 75 16.241 0.604 -0.453 1.00 0.00 C ATOM 1174 O GLY A 75 17.161 0.522 0.365 1.00 0.00 O ATOM 0 H GLY A 75 13.866 -0.849 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.759 -1.232 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.821 -0.136 -2.417 1.00 0.00 H new ATOM 1178 N GLU A 76 15.493 1.684 -0.600 1.00 0.00 N ATOM 1179 CA GLU A 76 15.622 2.935 0.125 1.00 0.00 C ATOM 1180 C GLU A 76 14.256 3.384 0.649 1.00 0.00 C ATOM 1181 O GLU A 76 13.253 2.702 0.422 1.00 0.00 O ATOM 1182 CB GLU A 76 16.297 3.946 -0.808 1.00 0.00 C ATOM 1183 CG GLU A 76 15.352 4.710 -1.752 1.00 0.00 C ATOM 1184 CD GLU A 76 16.131 5.662 -2.663 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.005 6.411 -2.165 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.850 5.686 -3.881 1.00 0.00 O ATOM 0 H GLU A 76 14.728 1.711 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 76 16.248 2.829 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.838 4.671 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.037 3.420 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.789 4.001 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.627 5.275 -1.166 1.00 0.00 H new ATOM 1193 N GLY A 77 14.228 4.500 1.378 1.00 0.00 N ATOM 1194 CA GLY A 77 13.033 5.041 1.999 1.00 0.00 C ATOM 1195 C GLY A 77 12.734 6.443 1.504 1.00 0.00 C ATOM 1196 O GLY A 77 13.608 7.121 0.966 1.00 0.00 O ATOM 0 H GLY A 77 15.061 5.062 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.185 4.390 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.159 5.056 3.082 1.00 0.00 H new ATOM 1200 N PHE A 78 11.492 6.882 1.689 1.00 0.00 N ATOM 1201 CA PHE A 78 11.000 8.200 1.281 1.00 0.00 C ATOM 1202 C PHE A 78 10.238 8.830 2.445 1.00 0.00 C ATOM 1203 O PHE A 78 9.838 8.101 3.351 1.00 0.00 O ATOM 1204 CB PHE A 78 10.126 8.117 0.009 1.00 0.00 C ATOM 1205 CG PHE A 78 10.926 8.252 -1.278 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.937 7.330 -1.616 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.681 9.339 -2.138 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.675 7.476 -2.805 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.371 9.446 -3.355 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.373 8.523 -3.690 1.00 0.00 C ATOM 0 H PHE A 78 10.775 6.314 2.141 1.00 0.00 H new ATOM 0 HA PHE A 78 11.851 8.832 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.596 7.164 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.370 8.902 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 78 12.148 6.502 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.960 10.093 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.472 6.784 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.129 10.245 -4.040 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.909 8.617 -4.623 1.00 0.00 H new ATOM 1220 N PRO A 79 10.042 10.160 2.437 1.00 0.00 N ATOM 1221 CA PRO A 79 9.436 10.915 3.534 1.00 0.00 C ATOM 1222 C PRO A 79 7.935 10.662 3.691 1.00 0.00 C ATOM 1223 O PRO A 79 7.361 11.060 4.706 1.00 0.00 O ATOM 1224 CB PRO A 79 9.685 12.392 3.193 1.00 0.00 C ATOM 1225 CG PRO A 79 9.805 12.392 1.674 1.00 0.00 C ATOM 1226 CD PRO A 79 10.486 11.063 1.388 1.00 0.00 C ATOM 0 HA PRO A 79 9.878 10.609 4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.865 13.026 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.592 12.766 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.830 12.458 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.396 13.235 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.210 10.685 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.571 11.169 1.396 1.00 0.00 H new ATOM 1234 N SER A 80 7.297 10.037 2.702 1.00 0.00 N ATOM 1235 CA SER A 80 5.861 9.818 2.635 1.00 0.00 C ATOM 1236 C SER A 80 5.661 8.386 2.141 1.00 0.00 C ATOM 1237 O SER A 80 6.522 7.842 1.444 1.00 0.00 O ATOM 1238 CB SER A 80 5.230 10.851 1.685 1.00 0.00 C ATOM 1239 OG SER A 80 5.910 12.102 1.696 1.00 0.00 O ATOM 0 H SER A 80 7.791 9.656 1.895 1.00 0.00 H new ATOM 0 HA SER A 80 5.377 9.943 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.230 10.452 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.188 11.007 1.966 1.00 0.00 H new ATOM 0 HG SER A 80 5.317 12.800 1.346 1.00 0.00 H new ATOM 1245 N ILE A 81 4.547 7.762 2.512 1.00 0.00 N ATOM 1246 CA ILE A 81 4.163 6.454 2.008 1.00 0.00 C ATOM 1247 C ILE A 81 3.835 6.563 0.513 1.00 0.00 C ATOM 1248 O ILE A 81 4.340 5.741 -0.256 1.00 0.00 O ATOM 1249 CB ILE A 81 3.018 5.860 2.865 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.577 5.480 4.257 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.425 4.611 2.207 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.529 5.193 5.340 1.00 0.00 C ATOM 0 H ILE A 81 3.882 8.156 3.177 1.00 0.00 H new ATOM 0 HA ILE A 81 4.990 5.749 2.097 1.00 0.00 H new ATOM 0 HB ILE A 81 2.231 6.608 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.209 4.599 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.218 6.290 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.624 4.216 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.026 4.871 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.202 3.855 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.031 4.937 6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.910 6.078 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.900 4.360 5.026 1.00 0.00 H new ATOM 1264 N PRO A 82 3.019 7.535 0.053 1.00 0.00 N ATOM 1265 CA PRO A 82 2.600 7.558 -1.343 1.00 0.00 C ATOM 1266 C PRO A 82 3.782 7.830 -2.276 1.00 0.00 C ATOM 1267 O PRO A 82 3.824 7.301 -3.387 1.00 0.00 O ATOM 1268 CB PRO A 82 1.493 8.612 -1.434 1.00 0.00 C ATOM 1269 CG PRO A 82 1.710 9.508 -0.223 1.00 0.00 C ATOM 1270 CD PRO A 82 2.347 8.593 0.801 1.00 0.00 C ATOM 0 HA PRO A 82 2.217 6.592 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.561 9.178 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.505 8.151 -1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.358 10.352 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.769 9.921 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.057 9.140 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.594 8.176 1.470 1.00 0.00 H new ATOM 1278 N LEU A 83 4.788 8.566 -1.792 1.00 0.00 N ATOM 1279 CA LEU A 83 6.000 8.874 -2.530 1.00 0.00 C ATOM 1280 C LEU A 83 6.854 7.619 -2.727 1.00 0.00 C ATOM 1281 O LEU A 83 7.754 7.623 -3.564 1.00 0.00 O ATOM 1282 CB LEU A 83 6.794 9.964 -1.782 1.00 0.00 C ATOM 1283 CG LEU A 83 6.362 11.405 -2.121 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.964 11.835 -1.671 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.386 12.401 -1.573 1.00 0.00 C ATOM 0 H LEU A 83 4.774 8.969 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 83 5.728 9.246 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.684 9.806 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.853 9.850 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 83 6.317 11.408 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.787 12.868 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.218 11.189 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.890 11.755 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.073 13.416 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.455 12.293 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.360 12.204 -2.020 1.00 0.00 H new ATOM 1297 N LEU A 84 6.596 6.548 -1.969 1.00 0.00 N ATOM 1298 CA LEU A 84 7.258 5.261 -2.123 1.00 0.00 C ATOM 1299 C LEU A 84 6.439 4.340 -3.019 1.00 0.00 C ATOM 1300 O LEU A 84 7.010 3.652 -3.861 1.00 0.00 O ATOM 1301 CB LEU A 84 7.510 4.638 -0.741 1.00 0.00 C ATOM 1302 CG LEU A 84 8.766 3.749 -0.608 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.100 2.868 -1.813 1.00 0.00 C ATOM 1304 CD2 LEU A 84 10.003 4.573 -0.292 1.00 0.00 C ATOM 0 H LEU A 84 5.906 6.558 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 84 8.223 5.407 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.583 5.444 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.639 4.041 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 84 8.496 3.082 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.000 2.290 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.270 2.189 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.268 3.496 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.867 3.914 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.175 5.293 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.856 5.104 0.649 1.00 0.00 H new ATOM 1316 N ILE A 85 5.108 4.349 -2.878 1.00 0.00 N ATOM 1317 CA ILE A 85 4.213 3.508 -3.662 1.00 0.00 C ATOM 1318 C ILE A 85 4.529 3.612 -5.149 1.00 0.00 C ATOM 1319 O ILE A 85 4.572 2.585 -5.812 1.00 0.00 O ATOM 1320 CB ILE A 85 2.733 3.824 -3.326 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.355 3.326 -1.913 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.743 3.257 -4.361 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.433 1.805 -1.743 1.00 0.00 C ATOM 0 H ILE A 85 4.624 4.948 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 85 4.376 2.465 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 85 2.651 4.910 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.016 3.796 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.342 3.655 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.725 3.512 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.957 3.684 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.846 2.173 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.153 1.538 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.751 1.325 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.451 1.469 -1.939 1.00 0.00 H new ATOM 1335 N ASP A 86 4.774 4.806 -5.687 1.00 0.00 N ATOM 1336 CA ASP A 86 5.032 4.967 -7.123 1.00 0.00 C ATOM 1337 C ASP A 86 6.261 4.188 -7.571 1.00 0.00 C ATOM 1338 O ASP A 86 6.252 3.497 -8.592 1.00 0.00 O ATOM 1339 CB ASP A 86 5.252 6.444 -7.422 1.00 0.00 C ATOM 1340 CG ASP A 86 5.781 6.688 -8.835 1.00 0.00 C ATOM 1341 OD1 ASP A 86 5.089 6.332 -9.812 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.875 7.281 -8.974 1.00 0.00 O ATOM 0 H ASP A 86 4.800 5.676 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 86 4.169 4.580 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.312 6.980 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.956 6.856 -6.699 1.00 0.00 H new ATOM 1347 N HIS A 87 7.329 4.315 -6.791 1.00 0.00 N ATOM 1348 CA HIS A 87 8.605 3.691 -7.059 1.00 0.00 C ATOM 1349 C HIS A 87 8.564 2.182 -6.783 1.00 0.00 C ATOM 1350 O HIS A 87 9.548 1.497 -7.067 1.00 0.00 O ATOM 1351 CB HIS A 87 9.686 4.371 -6.219 1.00 0.00 C ATOM 1352 CG HIS A 87 9.969 5.818 -6.565 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.164 6.288 -7.058 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.170 6.905 -6.330 1.00 0.00 C ATOM 1355 CE1 HIS A 87 11.116 7.628 -7.070 1.00 0.00 C ATOM 1356 NE2 HIS A 87 9.910 8.048 -6.654 1.00 0.00 N ATOM 0 H HIS A 87 7.324 4.870 -5.935 1.00 0.00 H new ATOM 0 HA HIS A 87 8.839 3.814 -8.116 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.394 4.317 -5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.611 3.804 -6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.155 6.884 -5.962 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.928 8.274 -7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.594 9.015 -6.587 1.00 0.00 H new ATOM 1364 N LEU A 88 7.455 1.621 -6.288 1.00 0.00 N ATOM 1365 CA LEU A 88 7.146 0.201 -6.326 1.00 0.00 C ATOM 1366 C LEU A 88 6.247 -0.138 -7.505 1.00 0.00 C ATOM 1367 O LEU A 88 6.437 -1.172 -8.148 1.00 0.00 O ATOM 1368 CB LEU A 88 6.438 -0.141 -5.022 1.00 0.00 C ATOM 1369 CG LEU A 88 7.369 -0.134 -3.801 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.299 -1.515 -3.160 1.00 0.00 C ATOM 1371 CD2 LEU A 88 8.865 0.174 -3.969 1.00 0.00 C ATOM 0 H LEU A 88 6.725 2.171 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 88 8.064 -0.375 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.631 0.573 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.979 -1.126 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 88 6.987 0.710 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.951 -1.544 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.274 -1.723 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.622 -2.267 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.356 0.132 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.315 -0.562 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.986 1.170 -4.394 1.00 0.00 H new ATOM 1383 N LEU A 89 5.244 0.698 -7.764 1.00 0.00 N ATOM 1384 CA LEU A 89 4.160 0.407 -8.686 1.00 0.00 C ATOM 1385 C LEU A 89 4.654 0.406 -10.113 1.00 0.00 C ATOM 1386 O LEU A 89 4.264 -0.453 -10.892 1.00 0.00 O ATOM 1387 CB LEU A 89 3.030 1.433 -8.499 1.00 0.00 C ATOM 1388 CG LEU A 89 1.649 0.775 -8.562 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.695 1.483 -7.605 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.026 0.755 -9.943 1.00 0.00 C ATOM 0 H LEU A 89 5.165 1.616 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 89 3.771 -0.588 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.150 1.935 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.103 2.199 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 89 1.808 -0.265 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.286 1.011 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.081 1.413 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.607 2.532 -7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.050 0.271 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.907 1.777 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.672 0.203 -10.626 1.00 0.00 H new ATOM 1402 N SER A 90 5.517 1.347 -10.474 1.00 0.00 N ATOM 1403 CA SER A 90 5.944 1.456 -11.857 1.00 0.00 C ATOM 1404 C SER A 90 7.151 0.535 -12.107 1.00 0.00 C ATOM 1405 O SER A 90 7.464 0.217 -13.253 1.00 0.00 O ATOM 1406 CB SER A 90 6.234 2.931 -12.180 1.00 0.00 C ATOM 1407 OG SER A 90 6.085 3.187 -13.567 1.00 0.00 O ATOM 0 H SER A 90 5.927 2.033 -9.840 1.00 0.00 H new ATOM 0 HA SER A 90 5.155 1.124 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.557 3.571 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.247 3.183 -11.867 1.00 0.00 H new ATOM 0 HG SER A 90 6.273 4.132 -13.747 1.00 0.00 H new ATOM 1413 N THR A 91 7.836 0.099 -11.047 1.00 0.00 N ATOM 1414 CA THR A 91 9.075 -0.671 -11.124 1.00 0.00 C ATOM 1415 C THR A 91 8.773 -2.165 -11.069 1.00 0.00 C ATOM 1416 O THR A 91 9.475 -2.973 -11.681 1.00 0.00 O ATOM 1417 CB THR A 91 9.983 -0.254 -9.959 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.305 -0.488 -8.742 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.345 1.233 -10.026 1.00 0.00 C ATOM 0 H THR A 91 7.535 0.277 -10.089 1.00 0.00 H new ATOM 0 HA THR A 91 9.581 -0.470 -12.068 1.00 0.00 H new ATOM 0 HB THR A 91 10.900 -0.840 -10.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.690 0.076 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.989 1.489 -9.184 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.869 1.438 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.435 1.831 -9.982 1.00 0.00 H new ATOM 1427 N GLN A 92 7.663 -2.512 -10.403 1.00 0.00 N ATOM 1428 CA GLN A 92 7.231 -3.891 -10.173 1.00 0.00 C ATOM 1429 C GLN A 92 8.225 -4.608 -9.245 1.00 0.00 C ATOM 1430 O GLN A 92 8.483 -5.806 -9.376 1.00 0.00 O ATOM 1431 CB GLN A 92 6.961 -4.630 -11.507 1.00 0.00 C ATOM 1432 CG GLN A 92 6.021 -3.880 -12.467 1.00 0.00 C ATOM 1433 CD GLN A 92 4.594 -3.999 -11.970 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.872 -4.891 -12.397 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.196 -3.159 -11.037 1.00 0.00 N ATOM 0 H GLN A 92 7.028 -1.823 -10.001 1.00 0.00 H new ATOM 0 HA GLN A 92 6.272 -3.890 -9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.912 -4.805 -12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.532 -5.608 -11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.309 -2.831 -12.530 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.103 -4.294 -13.472 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.826 -2.428 -10.706 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.258 -3.239 -10.645 1.00 0.00 H new ATOM 1444 N GLN A 93 8.788 -3.840 -8.308 1.00 0.00 N ATOM 1445 CA GLN A 93 9.694 -4.320 -7.268 1.00 0.00 C ATOM 1446 C GLN A 93 8.961 -5.222 -6.272 1.00 0.00 C ATOM 1447 O GLN A 93 7.765 -5.012 -6.048 1.00 0.00 O ATOM 1448 CB GLN A 93 10.250 -3.126 -6.482 1.00 0.00 C ATOM 1449 CG GLN A 93 11.695 -2.795 -6.844 1.00 0.00 C ATOM 1450 CD GLN A 93 12.131 -1.554 -6.082 1.00 0.00 C ATOM 1451 OE1 GLN A 93 11.849 -1.381 -4.891 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.770 -0.612 -6.737 1.00 0.00 N ATOM 0 H GLN A 93 8.619 -2.836 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 93 10.491 -4.880 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.625 -2.253 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.188 -3.340 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.345 -3.634 -6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.784 -2.627 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.007 -0.745 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.029 0.253 -6.263 1.00 0.00 H new ATOM 1461 N PRO A 94 9.672 -6.131 -5.580 1.00 0.00 N ATOM 1462 CA PRO A 94 9.079 -6.968 -4.563 1.00 0.00 C ATOM 1463 C PRO A 94 8.866 -6.222 -3.241 1.00 0.00 C ATOM 1464 O PRO A 94 9.614 -5.310 -2.867 1.00 0.00 O ATOM 1465 CB PRO A 94 10.042 -8.145 -4.382 1.00 0.00 C ATOM 1466 CG PRO A 94 11.398 -7.515 -4.687 1.00 0.00 C ATOM 1467 CD PRO A 94 11.075 -6.465 -5.751 1.00 0.00 C ATOM 0 HA PRO A 94 8.085 -7.296 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.001 -8.550 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.813 -8.965 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.839 -7.063 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.110 -8.254 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.703 -5.582 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.263 -6.854 -6.752 1.00 0.00 H new ATOM 1475 N LEU A 95 7.915 -6.736 -2.458 1.00 0.00 N ATOM 1476 CA LEU A 95 7.601 -6.293 -1.102 1.00 0.00 C ATOM 1477 C LEU A 95 8.364 -7.066 -0.033 1.00 0.00 C ATOM 1478 O LEU A 95 8.533 -6.606 1.095 1.00 0.00 O ATOM 1479 CB LEU A 95 6.104 -6.457 -0.831 1.00 0.00 C ATOM 1480 CG LEU A 95 5.173 -5.711 -1.799 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.762 -5.774 -1.233 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.586 -4.269 -2.072 1.00 0.00 C ATOM 0 H LEU A 95 7.319 -7.504 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 95 7.901 -5.247 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.860 -7.519 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.896 -6.115 0.183 1.00 0.00 H new ATOM 0 HG LEU A 95 5.232 -6.205 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.078 -5.251 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.453 -6.815 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.742 -5.301 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.878 -3.813 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.592 -3.709 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.584 -4.253 -2.511 1.00 0.00 H new ATOM 1494 N THR A 96 8.845 -8.259 -0.349 1.00 0.00 N ATOM 1495 CA THR A 96 9.764 -8.965 0.514 1.00 0.00 C ATOM 1496 C THR A 96 10.549 -9.885 -0.402 1.00 0.00 C ATOM 1497 O THR A 96 9.979 -10.514 -1.302 1.00 0.00 O ATOM 1498 CB THR A 96 9.005 -9.685 1.655 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.767 -10.763 2.156 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.626 -10.213 1.253 1.00 0.00 C ATOM 0 H THR A 96 8.608 -8.758 -1.207 1.00 0.00 H new ATOM 0 HA THR A 96 10.454 -8.305 1.040 1.00 0.00 H new ATOM 0 HB THR A 96 8.852 -8.923 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.273 -11.205 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.161 -10.703 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.000 -9.383 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.734 -10.929 0.438 1.00 0.00 H new ATOM 1508 N LYS A 97 11.843 -10.017 -0.112 1.00 0.00 N ATOM 1509 CA LYS A 97 12.758 -10.920 -0.797 1.00 0.00 C ATOM 1510 C LYS A 97 12.278 -12.372 -0.766 1.00 0.00 C ATOM 1511 O LYS A 97 12.753 -13.172 -1.565 1.00 0.00 O ATOM 1512 CB LYS A 97 14.150 -10.765 -0.157 1.00 0.00 C ATOM 1513 CG LYS A 97 15.336 -11.102 -1.072 1.00 0.00 C ATOM 1514 CD LYS A 97 15.616 -10.046 -2.156 1.00 0.00 C ATOM 1515 CE LYS A 97 14.969 -10.294 -3.525 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.343 -11.601 -4.106 1.00 0.00 N ATOM 0 H LYS A 97 12.294 -9.481 0.629 1.00 0.00 H new ATOM 0 HA LYS A 97 12.802 -10.653 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.260 -9.737 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.199 -11.405 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.230 -11.224 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.147 -12.061 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.277 -9.078 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.695 -9.975 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.885 -10.243 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.263 -9.499 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.176 -11.585 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.350 -11.787 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.767 -12.351 -3.673 1.00 0.00 H new ATOM 1530 N LYS A 98 11.381 -12.730 0.159 1.00 0.00 N ATOM 1531 CA LYS A 98 10.682 -14.005 0.150 1.00 0.00 C ATOM 1532 C LYS A 98 9.557 -13.915 -0.863 1.00 0.00 C ATOM 1533 O LYS A 98 9.638 -14.496 -1.941 1.00 0.00 O ATOM 1534 CB LYS A 98 10.104 -14.350 1.533 1.00 0.00 C ATOM 1535 CG LYS A 98 11.171 -14.593 2.602 1.00 0.00 C ATOM 1536 CD LYS A 98 11.440 -13.324 3.398 1.00 0.00 C ATOM 1537 CE LYS A 98 12.810 -13.409 4.074 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.910 -12.500 5.232 1.00 0.00 N ATOM 0 H LYS A 98 11.122 -12.130 0.942 1.00 0.00 H new ATOM 0 HA LYS A 98 11.387 -14.793 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.455 -13.537 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.481 -15.240 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.844 -15.386 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.093 -14.934 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.404 -12.457 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.663 -13.185 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.991 -14.433 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.587 -13.163 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.853 -12.588 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.763 -11.520 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.185 -12.751 5.934 1.00 0.00 H new ATOM 1552 N SER A 99 8.485 -13.220 -0.488 1.00 0.00 N ATOM 1553 CA SER A 99 7.177 -13.486 -1.048 1.00 0.00 C ATOM 1554 C SER A 99 6.980 -12.853 -2.435 1.00 0.00 C ATOM 1555 O SER A 99 5.964 -13.127 -3.071 1.00 0.00 O ATOM 1556 CB SER A 99 6.096 -13.049 -0.052 1.00 0.00 C ATOM 1557 OG SER A 99 6.432 -13.458 1.262 1.00 0.00 O ATOM 0 H SER A 99 8.504 -12.469 0.202 1.00 0.00 H new ATOM 0 HA SER A 99 7.091 -14.560 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.982 -11.965 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.136 -13.479 -0.338 1.00 0.00 H new ATOM 0 HG SER A 99 5.732 -13.169 1.884 1.00 0.00 H new ATOM 1563 N GLY A 100 7.916 -12.000 -2.882 1.00 0.00 N ATOM 1564 CA GLY A 100 8.044 -11.461 -4.237 1.00 0.00 C ATOM 1565 C GLY A 100 6.845 -10.670 -4.764 1.00 0.00 C ATOM 1566 O GLY A 100 6.822 -10.350 -5.953 1.00 0.00 O ATOM 0 H GLY A 100 8.648 -11.649 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.921 -10.815 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.235 -12.290 -4.919 1.00 0.00 H new ATOM 1570 N VAL A 101 5.884 -10.343 -3.894 1.00 0.00 N ATOM 1571 CA VAL A 101 4.685 -9.555 -4.164 1.00 0.00 C ATOM 1572 C VAL A 101 5.073 -8.239 -4.811 1.00 0.00 C ATOM 1573 O VAL A 101 6.056 -7.665 -4.361 1.00 0.00 O ATOM 1574 CB VAL A 101 3.961 -9.280 -2.836 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.611 -8.597 -3.046 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.796 -10.532 -1.969 1.00 0.00 C ATOM 0 H VAL A 101 5.929 -10.643 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 101 4.028 -10.104 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 101 4.611 -8.594 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.137 -8.423 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.760 -7.644 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.971 -9.236 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.278 -10.270 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.215 -11.277 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.778 -10.941 -1.730 1.00 0.00 H new ATOM 1586 N VAL A 102 4.295 -7.723 -5.761 1.00 0.00 N ATOM 1587 CA VAL A 102 4.500 -6.396 -6.335 1.00 0.00 C ATOM 1588 C VAL A 102 3.153 -5.646 -6.334 1.00 0.00 C ATOM 1589 O VAL A 102 2.104 -6.246 -6.078 1.00 0.00 O ATOM 1590 CB VAL A 102 5.198 -6.514 -7.716 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.235 -7.646 -7.799 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.228 -6.575 -8.888 1.00 0.00 C ATOM 0 H VAL A 102 3.497 -8.220 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 102 5.182 -5.794 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 102 5.749 -5.578 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.677 -7.662 -8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.016 -7.479 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.748 -8.601 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.788 -6.657 -9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.578 -7.443 -8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.623 -5.669 -8.907 1.00 0.00 H new ATOM 1602 N LEU A 103 3.165 -4.335 -6.581 1.00 0.00 N ATOM 1603 CA LEU A 103 2.000 -3.462 -6.614 1.00 0.00 C ATOM 1604 C LEU A 103 1.566 -3.245 -8.049 1.00 0.00 C ATOM 1605 O LEU A 103 2.408 -2.985 -8.903 1.00 0.00 O ATOM 1606 CB LEU A 103 2.338 -2.093 -6.006 1.00 0.00 C ATOM 1607 CG LEU A 103 2.942 -2.102 -4.597 1.00 0.00 C ATOM 1608 CD1 LEU A 103 2.950 -0.666 -4.075 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.152 -2.978 -3.617 1.00 0.00 C ATOM 0 H LEU A 103 4.032 -3.833 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 103 1.203 -3.935 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.035 -1.586 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.427 -1.495 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 103 3.947 -2.518 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.376 -0.646 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.550 -0.042 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.929 -0.285 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.626 -2.946 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.130 -2.606 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.137 -4.006 -3.979 1.00 0.00 H new ATOM 1621 N HIS A 104 0.257 -3.242 -8.298 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.269 -3.032 -9.639 1.00 0.00 C ATOM 1623 C HIS A 104 -1.520 -2.159 -9.668 1.00 0.00 C ATOM 1624 O HIS A 104 -1.670 -1.342 -10.577 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.687 -4.378 -10.197 1.00 0.00 C ATOM 1626 CG HIS A 104 0.383 -5.368 -10.536 1.00 0.00 C ATOM 1627 ND1 HIS A 104 0.930 -5.551 -11.781 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.835 -6.374 -9.730 1.00 0.00 C ATOM 1629 CE1 HIS A 104 1.692 -6.654 -11.729 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.633 -7.208 -10.513 1.00 0.00 N ATOM 0 H HIS A 104 -0.457 -3.383 -7.584 1.00 0.00 H new ATOM 0 HA HIS A 104 0.517 -2.539 -10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -1.355 -4.845 -9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.271 -4.197 -11.100 1.00 0.00 H new ATOM 0 HD1 HIS A 104 0.784 -4.957 -12.597 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.615 -6.500 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.272 -7.041 -12.554 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.474 -2.381 -8.760 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.801 -1.790 -8.856 1.00 0.00 C ATOM 1640 C ARG A 105 -4.192 -1.217 -7.502 1.00 0.00 C ATOM 1641 O ARG A 105 -3.870 -1.802 -6.474 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.816 -2.824 -9.369 1.00 0.00 C ATOM 1643 CG ARG A 105 -6.039 -2.164 -10.024 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.736 -1.721 -11.461 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.953 -1.269 -12.154 1.00 0.00 N ATOM 1646 CZ ARG A 105 -7.537 -1.825 -13.223 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -7.075 -2.950 -13.761 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -8.603 -1.252 -13.764 1.00 0.00 N ATOM 0 H ARG A 105 -2.344 -2.975 -7.941 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.794 -0.974 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.330 -3.480 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.144 -3.450 -8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.874 -2.864 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.348 -1.301 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.003 -0.914 -11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.289 -2.549 -12.011 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.404 -0.436 -11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.258 -3.409 -13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -7.538 -3.353 -14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.976 -0.390 -13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.050 -1.673 -14.578 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.891 -0.093 -7.489 1.00 0.00 N ATOM 1663 CA ALA A 106 -5.273 0.612 -6.279 1.00 0.00 C ATOM 1664 C ALA A 106 -6.785 0.767 -6.276 1.00 0.00 C ATOM 1665 O ALA A 106 -7.324 1.500 -7.109 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.555 1.959 -6.242 1.00 0.00 C ATOM 0 H ALA A 106 -5.216 0.364 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.984 0.060 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.836 2.496 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.477 1.797 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.839 2.547 -7.115 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.457 0.070 -5.361 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.902 0.166 -5.166 1.00 0.00 C ATOM 1674 C VAL A 107 -9.229 1.623 -4.807 1.00 0.00 C ATOM 1675 O VAL A 107 -8.729 2.119 -3.796 1.00 0.00 O ATOM 1676 CB VAL A 107 -9.411 -0.811 -4.077 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.713 -1.471 -4.541 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.436 -1.920 -3.666 1.00 0.00 C ATOM 0 H VAL A 107 -7.005 -0.587 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.413 -0.122 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 107 -9.548 -0.185 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.067 -2.157 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.467 -0.704 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.533 -2.022 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.896 -2.543 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.194 -2.532 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.523 -1.474 -3.271 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.992 2.349 -5.636 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.237 3.762 -5.429 1.00 0.00 C ATOM 1690 C PRO A 108 -11.331 3.985 -4.388 1.00 0.00 C ATOM 1691 O PRO A 108 -12.510 3.711 -4.622 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.591 4.305 -6.805 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.283 3.113 -7.479 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.625 1.889 -6.861 1.00 0.00 C ATOM 0 HA PRO A 108 -9.371 4.286 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.250 5.170 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.704 4.621 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.357 3.122 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.145 3.134 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.362 1.114 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.891 1.456 -7.540 1.00 0.00 H new ATOM 1702 N SER A 109 -10.946 4.455 -3.208 1.00 0.00 N ATOM 1703 CA SER A 109 -11.860 4.725 -2.102 1.00 0.00 C ATOM 1704 C SER A 109 -12.421 6.153 -2.164 1.00 0.00 C ATOM 1705 O SER A 109 -13.400 6.459 -1.480 1.00 0.00 O ATOM 1706 CB SER A 109 -11.118 4.489 -0.779 1.00 0.00 C ATOM 1707 OG SER A 109 -12.041 4.152 0.238 1.00 0.00 O ATOM 0 H SER A 109 -9.972 4.663 -2.988 1.00 0.00 H new ATOM 0 HA SER A 109 -12.711 4.048 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.388 3.688 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.565 5.385 -0.498 1.00 0.00 H new ATOM 0 HG SER A 109 -11.944 3.204 0.467 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.826 7.039 -2.967 1.00 0.00 N ATOM 1714 CA GLY A 110 -11.945 8.476 -2.774 1.00 0.00 C ATOM 1715 C GLY A 110 -10.916 8.930 -1.732 1.00 0.00 C ATOM 1716 O GLY A 110 -10.277 8.091 -1.090 1.00 0.00 O ATOM 0 H GLY A 110 -11.250 6.775 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.780 8.997 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.952 8.729 -2.443 1.00 0.00 H new