USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=15 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= 0.967 K(o=0.94,f=-0.41) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.0247 X(o=0.94,f=0.84) USER MOD Set 2.1: A 87 HIS : no HE2:sc= -0.863 X(o=1.3,f=0.85) USER MOD Set 2.2: A 91 THR OG1 : rot -99:sc= 1.62 USER MOD Set 2.3: A 93 GLN : amide:sc= 0.567 X(o=1.3,f=0.85) USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0.762 USER MOD Set 3.2: A 49 TYR OH : rot -16:sc= 1.14 USER MOD Single : A 10 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.92) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.42) USER MOD Single : A 16 GLN : amide:sc= 0.871 K(o=0.87,f=-0.8) USER MOD Single : A 20 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-3.2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.014) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 80:sc= 1.39 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 110:sc= -0.0832 USER MOD Single : A 61 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.29! C(o=-2.3!,f=-4.5!) USER MOD Single : A 66 SER OG : rot 29:sc= 0.025 USER MOD Single : A 69 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 177:sc= 0.0484 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -1.116 10.986 -8.174 1.00 0.00 N ATOM 67 CA GLU A 8 -1.362 11.270 -6.763 1.00 0.00 C ATOM 68 C GLU A 8 -0.179 10.891 -5.863 1.00 0.00 C ATOM 69 O GLU A 8 -0.312 10.839 -4.642 1.00 0.00 O ATOM 70 CB GLU A 8 -2.698 10.628 -6.355 1.00 0.00 C ATOM 71 CG GLU A 8 -3.891 11.540 -6.693 1.00 0.00 C ATOM 72 CD GLU A 8 -4.844 11.086 -7.803 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.856 9.910 -8.223 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.678 11.926 -8.212 1.00 0.00 O ATOM 0 HA GLU A 8 -1.451 12.347 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.814 9.672 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.690 10.419 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.476 11.677 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.497 12.518 -6.969 1.00 0.00 H new ATOM 81 N VAL A 9 0.996 10.667 -6.448 1.00 0.00 N ATOM 82 CA VAL A 9 2.238 10.357 -5.770 1.00 0.00 C ATOM 83 C VAL A 9 2.565 11.457 -4.769 1.00 0.00 C ATOM 84 O VAL A 9 2.899 11.169 -3.626 1.00 0.00 O ATOM 85 CB VAL A 9 3.374 10.231 -6.811 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.600 9.575 -6.168 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.939 9.463 -8.070 1.00 0.00 C ATOM 0 H VAL A 9 1.105 10.700 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 9 2.136 9.413 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 9 3.633 11.238 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.396 9.489 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.944 10.186 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.333 8.582 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.775 9.404 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.626 8.456 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.107 9.983 -8.544 1.00 0.00 H new ATOM 97 N GLN A 10 2.546 12.712 -5.231 1.00 0.00 N ATOM 98 CA GLN A 10 3.086 13.846 -4.498 1.00 0.00 C ATOM 99 C GLN A 10 2.020 14.533 -3.655 1.00 0.00 C ATOM 100 O GLN A 10 2.341 15.389 -2.829 1.00 0.00 O ATOM 101 CB GLN A 10 3.745 14.848 -5.457 1.00 0.00 C ATOM 102 CG GLN A 10 4.842 14.201 -6.315 1.00 0.00 C ATOM 103 CD GLN A 10 5.940 13.522 -5.491 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.234 13.913 -4.362 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.542 12.480 -6.031 1.00 0.00 N ATOM 0 H GLN A 10 2.149 12.964 -6.136 1.00 0.00 H new ATOM 0 HA GLN A 10 3.846 13.463 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.984 15.278 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.174 15.669 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.387 13.464 -6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.294 14.964 -6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.284 12.171 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.265 11.983 -5.511 1.00 0.00 H new ATOM 114 N LYS A 11 0.755 14.159 -3.833 1.00 0.00 N ATOM 115 CA LYS A 11 -0.285 14.491 -2.870 1.00 0.00 C ATOM 116 C LYS A 11 0.072 13.886 -1.503 1.00 0.00 C ATOM 117 O LYS A 11 0.836 12.918 -1.435 1.00 0.00 O ATOM 118 CB LYS A 11 -1.630 13.954 -3.367 1.00 0.00 C ATOM 119 CG LYS A 11 -2.176 14.677 -4.610 1.00 0.00 C ATOM 120 CD LYS A 11 -3.706 14.687 -4.558 1.00 0.00 C ATOM 121 CE LYS A 11 -4.373 15.218 -5.821 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.832 15.231 -5.628 1.00 0.00 N ATOM 0 H LYS A 11 0.428 13.625 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.361 15.573 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.523 12.893 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.361 14.035 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.795 15.698 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.835 14.176 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.058 13.672 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.025 15.293 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.014 16.223 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.113 14.593 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.293 15.593 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.166 14.265 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.070 15.845 -4.823 1.00 0.00 H new ATOM 136 N PRO A 12 -0.483 14.405 -0.397 1.00 0.00 N ATOM 137 CA PRO A 12 -0.283 13.801 0.910 1.00 0.00 C ATOM 138 C PRO A 12 -0.977 12.444 0.984 1.00 0.00 C ATOM 139 O PRO A 12 -1.881 12.133 0.203 1.00 0.00 O ATOM 140 CB PRO A 12 -0.896 14.774 1.919 1.00 0.00 C ATOM 141 CG PRO A 12 -1.931 15.543 1.108 1.00 0.00 C ATOM 142 CD PRO A 12 -1.386 15.540 -0.317 1.00 0.00 C ATOM 0 HA PRO A 12 0.774 13.628 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.356 14.246 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.143 15.440 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.909 15.065 1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.053 16.559 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.193 15.448 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.863 16.471 -0.537 1.00 0.00 H new ATOM 150 N LEU A 13 -0.628 11.668 2.008 1.00 0.00 N ATOM 151 CA LEU A 13 -1.307 10.428 2.356 1.00 0.00 C ATOM 152 C LEU A 13 -2.778 10.690 2.663 1.00 0.00 C ATOM 153 O LEU A 13 -3.621 9.883 2.277 1.00 0.00 O ATOM 154 CB LEU A 13 -0.548 9.771 3.507 1.00 0.00 C ATOM 155 CG LEU A 13 -1.005 8.356 3.911 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.158 7.662 4.626 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.124 8.395 4.948 1.00 0.00 C ATOM 0 H LEU A 13 0.150 11.890 2.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.306 9.732 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.507 9.725 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.626 10.418 4.381 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.336 7.852 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.144 6.657 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.014 7.601 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.433 8.233 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.417 7.377 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.773 8.909 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.982 8.927 4.537 1.00 0.00 H new ATOM 169 N HIS A 14 -3.106 11.832 3.282 1.00 0.00 N ATOM 170 CA HIS A 14 -4.483 12.100 3.684 1.00 0.00 C ATOM 171 C HIS A 14 -5.420 12.430 2.498 1.00 0.00 C ATOM 172 O HIS A 14 -6.612 12.685 2.696 1.00 0.00 O ATOM 173 CB HIS A 14 -4.546 13.166 4.793 1.00 0.00 C ATOM 174 CG HIS A 14 -4.077 14.550 4.405 1.00 0.00 C ATOM 175 ND1 HIS A 14 -4.808 15.479 3.701 1.00 0.00 N ATOM 176 CD2 HIS A 14 -2.895 15.145 4.763 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.073 16.599 3.613 1.00 0.00 C ATOM 178 NE2 HIS A 14 -2.891 16.442 4.235 1.00 0.00 N ATOM 0 H HIS A 14 -2.443 12.573 3.511 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.866 11.168 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.576 13.237 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.945 12.822 5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.107 14.694 5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.388 17.502 3.111 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.142 17.130 4.308 1.00 0.00 H new ATOM 186 N GLU A 15 -4.912 12.449 1.260 1.00 0.00 N ATOM 187 CA GLU A 15 -5.670 12.730 0.037 1.00 0.00 C ATOM 188 C GLU A 15 -5.722 11.504 -0.890 1.00 0.00 C ATOM 189 O GLU A 15 -6.164 11.635 -2.038 1.00 0.00 O ATOM 190 CB GLU A 15 -5.043 13.948 -0.686 1.00 0.00 C ATOM 191 CG GLU A 15 -5.293 15.311 -0.018 1.00 0.00 C ATOM 192 CD GLU A 15 -6.707 15.839 -0.250 1.00 0.00 C ATOM 193 OE1 GLU A 15 -7.668 15.198 0.228 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.887 16.872 -0.937 1.00 0.00 O ATOM 0 H GLU A 15 -3.926 12.262 1.077 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.699 12.965 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.967 13.791 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.431 13.984 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.116 15.222 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.574 16.035 -0.401 1.00 0.00 H new ATOM 201 N GLN A 16 -5.183 10.354 -0.473 1.00 0.00 N ATOM 202 CA GLN A 16 -5.022 9.170 -1.318 1.00 0.00 C ATOM 203 C GLN A 16 -6.348 8.483 -1.639 1.00 0.00 C ATOM 204 O GLN A 16 -7.407 8.861 -1.144 1.00 0.00 O ATOM 205 CB GLN A 16 -4.017 8.199 -0.672 1.00 0.00 C ATOM 206 CG GLN A 16 -2.611 8.807 -0.626 1.00 0.00 C ATOM 207 CD GLN A 16 -2.059 9.163 -2.001 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.275 8.457 -2.978 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.406 10.306 -2.120 1.00 0.00 N ATOM 0 H GLN A 16 -4.841 10.219 0.478 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.625 9.501 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.343 7.953 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.995 7.266 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.632 9.704 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.934 8.102 -0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.234 10.883 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.074 10.611 -3.035 1.00 0.00 H new ATOM 218 N LEU A 17 -6.266 7.474 -2.511 1.00 0.00 N ATOM 219 CA LEU A 17 -7.395 6.716 -3.020 1.00 0.00 C ATOM 220 C LEU A 17 -7.376 5.323 -2.440 1.00 0.00 C ATOM 221 O LEU A 17 -8.435 4.890 -2.011 1.00 0.00 O ATOM 222 CB LEU A 17 -7.457 6.645 -4.554 1.00 0.00 C ATOM 223 CG LEU A 17 -6.138 6.645 -5.369 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.444 6.413 -6.851 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.322 7.950 -5.262 1.00 0.00 C ATOM 0 H LEU A 17 -5.374 7.157 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.291 7.251 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.005 5.740 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.054 7.490 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.536 5.844 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.514 6.414 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.943 5.452 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.094 7.208 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.416 7.863 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.921 8.784 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.052 8.126 -4.221 1.00 0.00 H new ATOM 237 N TRP A 18 -6.211 4.674 -2.381 1.00 0.00 N ATOM 238 CA TRP A 18 -5.971 3.360 -1.772 1.00 0.00 C ATOM 239 C TRP A 18 -5.870 3.378 -0.245 1.00 0.00 C ATOM 240 O TRP A 18 -5.682 2.332 0.387 1.00 0.00 O ATOM 241 CB TRP A 18 -4.715 2.748 -2.386 1.00 0.00 C ATOM 242 CG TRP A 18 -3.553 3.678 -2.509 1.00 0.00 C ATOM 243 CD1 TRP A 18 -3.069 4.184 -3.667 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.725 4.232 -1.443 1.00 0.00 C ATOM 245 NE1 TRP A 18 -2.002 5.002 -3.384 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.755 5.083 -2.036 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.680 4.108 -0.039 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.802 5.774 -1.284 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.738 4.813 0.731 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.788 5.636 0.115 1.00 0.00 C ATOM 0 H TRP A 18 -5.361 5.072 -2.779 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.847 2.749 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.414 1.892 -1.782 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.962 2.367 -3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.458 3.978 -4.653 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.457 5.492 -4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.385 3.457 0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.080 6.410 -1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.748 4.719 1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.052 6.159 0.708 1.00 0.00 H new ATOM 261 N TYR A 19 -5.920 4.562 0.361 1.00 0.00 N ATOM 262 CA TYR A 19 -5.927 4.690 1.803 1.00 0.00 C ATOM 263 C TYR A 19 -7.354 4.478 2.317 1.00 0.00 C ATOM 264 O TYR A 19 -8.161 5.404 2.244 1.00 0.00 O ATOM 265 CB TYR A 19 -5.354 6.046 2.217 1.00 0.00 C ATOM 266 CG TYR A 19 -5.335 6.271 3.715 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.126 5.198 4.606 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.526 7.569 4.219 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.105 5.421 5.987 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.521 7.800 5.605 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.312 6.724 6.497 1.00 0.00 C ATOM 272 OH TYR A 19 -5.261 6.934 7.839 1.00 0.00 O ATOM 0 H TYR A 19 -5.956 5.451 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.290 3.929 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.337 6.133 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.940 6.836 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.981 4.200 4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.677 8.393 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.931 4.598 6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.677 8.798 5.988 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.423 7.882 8.028 1.00 0.00 H new ATOM 282 N HIS A 20 -7.678 3.286 2.836 1.00 0.00 N ATOM 283 CA HIS A 20 -9.029 2.987 3.320 1.00 0.00 C ATOM 284 C HIS A 20 -9.288 3.510 4.745 1.00 0.00 C ATOM 285 O HIS A 20 -10.428 3.479 5.212 1.00 0.00 O ATOM 286 CB HIS A 20 -9.310 1.479 3.280 1.00 0.00 C ATOM 287 CG HIS A 20 -9.930 0.973 2.013 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.274 0.781 1.800 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.282 0.719 0.843 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.437 0.473 0.503 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.246 0.422 -0.121 1.00 0.00 N ATOM 0 H HIS A 20 -7.020 2.513 2.931 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.706 3.509 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.372 0.948 3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.968 1.227 4.112 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.013 0.858 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.213 0.743 0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.390 0.292 0.028 1.00 0.00 H new ATOM 299 N GLY A 21 -8.276 3.982 5.470 1.00 0.00 N ATOM 300 CA GLY A 21 -8.359 4.252 6.881 1.00 0.00 C ATOM 301 C GLY A 21 -8.079 2.934 7.575 1.00 0.00 C ATOM 302 O GLY A 21 -7.143 2.222 7.226 1.00 0.00 O ATOM 0 H GLY A 21 -7.360 4.188 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.634 5.010 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.345 4.632 7.148 1.00 0.00 H new ATOM 306 N ALA A 22 -8.893 2.586 8.547 1.00 0.00 N ATOM 307 CA ALA A 22 -8.606 1.587 9.570 1.00 0.00 C ATOM 308 C ALA A 22 -9.566 0.396 9.540 1.00 0.00 C ATOM 309 O ALA A 22 -10.456 0.269 10.383 1.00 0.00 O ATOM 310 CB ALA A 22 -8.601 2.276 10.921 1.00 0.00 C ATOM 0 H ALA A 22 -9.816 3.006 8.657 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.626 1.156 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.388 1.545 11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.835 3.051 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.576 2.727 11.103 1.00 0.00 H new ATOM 316 N ILE A 23 -9.345 -0.497 8.584 1.00 0.00 N ATOM 317 CA ILE A 23 -10.245 -1.606 8.225 1.00 0.00 C ATOM 318 C ILE A 23 -9.741 -2.914 8.872 1.00 0.00 C ATOM 319 O ILE A 23 -8.527 -3.055 9.046 1.00 0.00 O ATOM 320 CB ILE A 23 -10.449 -1.679 6.673 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.120 -3.048 6.038 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.689 -0.596 5.887 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.333 -3.166 4.526 1.00 0.00 C ATOM 0 H ILE A 23 -8.502 -0.475 8.009 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.242 -1.432 8.630 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.521 -1.505 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.078 -3.284 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.728 -3.807 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.883 -0.716 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.025 0.390 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.620 -0.694 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.068 -4.171 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.379 -2.971 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.703 -2.440 4.012 1.00 0.00 H new ATOM 335 N PRO A 24 -10.604 -3.904 9.177 1.00 0.00 N ATOM 336 CA PRO A 24 -10.187 -5.239 9.618 1.00 0.00 C ATOM 337 C PRO A 24 -9.595 -6.069 8.472 1.00 0.00 C ATOM 338 O PRO A 24 -9.852 -5.808 7.298 1.00 0.00 O ATOM 339 CB PRO A 24 -11.455 -5.921 10.127 1.00 0.00 C ATOM 340 CG PRO A 24 -12.590 -5.203 9.409 1.00 0.00 C ATOM 341 CD PRO A 24 -12.048 -3.833 9.024 1.00 0.00 C ATOM 0 HA PRO A 24 -9.411 -5.157 10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.452 -6.987 9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.548 -5.828 11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.906 -5.759 8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.462 -5.109 10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.318 -3.583 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.468 -3.056 9.662 1.00 0.00 H new ATOM 349 N ARG A 25 -8.855 -7.146 8.773 1.00 0.00 N ATOM 350 CA ARG A 25 -8.263 -7.938 7.691 1.00 0.00 C ATOM 351 C ARG A 25 -9.317 -8.588 6.795 1.00 0.00 C ATOM 352 O ARG A 25 -9.014 -8.819 5.628 1.00 0.00 O ATOM 353 CB ARG A 25 -7.250 -8.984 8.205 1.00 0.00 C ATOM 354 CG ARG A 25 -7.924 -10.326 8.517 1.00 0.00 C ATOM 355 CD ARG A 25 -6.996 -11.424 9.028 1.00 0.00 C ATOM 356 NE ARG A 25 -7.639 -12.731 8.820 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.813 -13.116 9.338 1.00 0.00 C ATOM 358 NH1 ARG A 25 -9.352 -12.473 10.368 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.467 -14.130 8.789 1.00 0.00 N ATOM 0 H ARG A 25 -8.659 -7.477 9.717 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.710 -7.227 7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.471 -9.134 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.761 -8.606 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.703 -10.157 9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.418 -10.683 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.042 -11.386 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.782 -11.274 10.086 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.148 -13.403 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.871 -11.672 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.247 -12.780 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.076 -14.610 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.361 -14.430 9.177 1.00 0.00 H new ATOM 373 N ALA A 26 -10.488 -8.969 7.322 1.00 0.00 N ATOM 374 CA ALA A 26 -11.401 -9.800 6.541 1.00 0.00 C ATOM 375 C ALA A 26 -11.929 -9.032 5.329 1.00 0.00 C ATOM 376 O ALA A 26 -12.070 -9.608 4.246 1.00 0.00 O ATOM 377 CB ALA A 26 -12.542 -10.317 7.417 1.00 0.00 C ATOM 0 H ALA A 26 -10.815 -8.723 8.256 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.851 -10.664 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.211 -10.934 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.133 -10.913 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.097 -9.473 7.827 1.00 0.00 H new ATOM 383 N GLU A 27 -12.182 -7.735 5.523 1.00 0.00 N ATOM 384 CA GLU A 27 -12.710 -6.831 4.507 1.00 0.00 C ATOM 385 C GLU A 27 -11.760 -6.736 3.317 1.00 0.00 C ATOM 386 O GLU A 27 -12.216 -6.585 2.192 1.00 0.00 O ATOM 387 CB GLU A 27 -12.971 -5.449 5.133 1.00 0.00 C ATOM 388 CG GLU A 27 -14.346 -5.383 5.799 1.00 0.00 C ATOM 389 CD GLU A 27 -14.839 -3.957 6.038 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.267 -3.279 5.069 1.00 0.00 O ATOM 391 OE2 GLU A 27 -14.878 -3.549 7.218 1.00 0.00 O ATOM 0 H GLU A 27 -12.019 -7.275 6.419 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.655 -7.225 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.198 -5.231 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.902 -4.681 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.069 -5.909 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.305 -5.909 6.753 1.00 0.00 H new ATOM 398 N VAL A 28 -10.451 -6.894 3.536 1.00 0.00 N ATOM 399 CA VAL A 28 -9.438 -6.807 2.496 1.00 0.00 C ATOM 400 C VAL A 28 -9.837 -7.668 1.300 1.00 0.00 C ATOM 401 O VAL A 28 -9.978 -7.142 0.208 1.00 0.00 O ATOM 402 CB VAL A 28 -8.070 -7.198 3.072 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.984 -7.308 2.007 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.610 -6.217 4.168 1.00 0.00 C ATOM 0 H VAL A 28 -10.065 -7.089 4.460 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.360 -5.781 2.137 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.214 -8.186 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.041 -7.587 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.265 -8.068 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.869 -6.348 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.638 -6.528 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.531 -5.214 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.336 -6.214 4.981 1.00 0.00 H new ATOM 414 N ALA A 29 -9.989 -8.983 1.466 1.00 0.00 N ATOM 415 CA ALA A 29 -10.165 -9.873 0.314 1.00 0.00 C ATOM 416 C ALA A 29 -11.513 -9.691 -0.384 1.00 0.00 C ATOM 417 O ALA A 29 -11.733 -10.243 -1.461 1.00 0.00 O ATOM 418 CB ALA A 29 -10.045 -11.326 0.751 1.00 0.00 C ATOM 0 H ALA A 29 -9.994 -9.451 2.372 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.380 -9.610 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.177 -11.978 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.060 -11.495 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.812 -11.547 1.493 1.00 0.00 H new ATOM 424 N GLU A 30 -12.427 -8.985 0.274 1.00 0.00 N ATOM 425 CA GLU A 30 -13.679 -8.552 -0.304 1.00 0.00 C ATOM 426 C GLU A 30 -13.418 -7.388 -1.273 1.00 0.00 C ATOM 427 O GLU A 30 -14.074 -7.321 -2.314 1.00 0.00 O ATOM 428 CB GLU A 30 -14.663 -8.228 0.840 1.00 0.00 C ATOM 429 CG GLU A 30 -15.539 -6.995 0.604 1.00 0.00 C ATOM 430 CD GLU A 30 -16.551 -6.804 1.727 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.130 -6.537 2.875 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.766 -6.867 1.433 1.00 0.00 O ATOM 0 H GLU A 30 -12.308 -8.695 1.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.146 -9.334 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.310 -9.091 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.095 -8.082 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.909 -6.109 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.063 -7.097 -0.346 1.00 0.00 H new ATOM 439 N LEU A 31 -12.489 -6.486 -0.931 1.00 0.00 N ATOM 440 CA LEU A 31 -12.097 -5.342 -1.741 1.00 0.00 C ATOM 441 C LEU A 31 -11.304 -5.810 -2.956 1.00 0.00 C ATOM 442 O LEU A 31 -11.527 -5.311 -4.058 1.00 0.00 O ATOM 443 CB LEU A 31 -11.196 -4.376 -0.946 1.00 0.00 C ATOM 444 CG LEU A 31 -11.796 -3.733 0.314 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.703 -2.990 1.086 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.894 -2.734 -0.033 1.00 0.00 C ATOM 0 H LEU A 31 -11.976 -6.541 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.012 -4.831 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.296 -4.917 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.883 -3.576 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.223 -4.535 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.133 -2.536 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.922 -3.692 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.275 -2.212 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.294 -2.300 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.481 -1.943 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.693 -3.244 -0.572 1.00 0.00 H new ATOM 458 N LEU A 32 -10.318 -6.687 -2.740 1.00 0.00 N ATOM 459 CA LEU A 32 -9.380 -7.087 -3.781 1.00 0.00 C ATOM 460 C LEU A 32 -10.045 -8.109 -4.700 1.00 0.00 C ATOM 461 O LEU A 32 -10.993 -8.796 -4.313 1.00 0.00 O ATOM 462 CB LEU A 32 -8.051 -7.621 -3.199 1.00 0.00 C ATOM 463 CG LEU A 32 -7.497 -6.895 -1.957 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.128 -7.387 -1.504 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.447 -5.378 -2.094 1.00 0.00 C ATOM 0 H LEU A 32 -10.152 -7.136 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.118 -6.204 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.189 -8.672 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.295 -7.579 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.229 -7.153 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.812 -6.825 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.186 -8.447 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.405 -7.242 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.046 -4.943 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.807 -5.109 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.453 -4.995 -2.267 1.00 0.00 H new ATOM 477 N VAL A 33 -9.558 -8.190 -5.934 1.00 0.00 N ATOM 478 CA VAL A 33 -10.240 -8.861 -7.039 1.00 0.00 C ATOM 479 C VAL A 33 -9.203 -9.504 -7.951 1.00 0.00 C ATOM 480 O VAL A 33 -9.377 -10.649 -8.366 1.00 0.00 O ATOM 481 CB VAL A 33 -11.132 -7.872 -7.832 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.130 -8.630 -8.721 1.00 0.00 C ATOM 483 CG2 VAL A 33 -11.946 -6.925 -6.936 1.00 0.00 C ATOM 0 H VAL A 33 -8.661 -7.784 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.894 -9.633 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.437 -7.279 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.745 -7.916 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.585 -9.256 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.768 -9.257 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.546 -6.262 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.602 -7.509 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.268 -6.332 -6.323 1.00 0.00 H new ATOM 493 N HIS A 34 -8.095 -8.821 -8.230 1.00 0.00 N ATOM 494 CA HIS A 34 -7.052 -9.294 -9.127 1.00 0.00 C ATOM 495 C HIS A 34 -5.705 -9.216 -8.422 1.00 0.00 C ATOM 496 O HIS A 34 -5.533 -8.455 -7.463 1.00 0.00 O ATOM 497 CB HIS A 34 -7.115 -8.475 -10.421 1.00 0.00 C ATOM 498 CG HIS A 34 -8.455 -8.625 -11.103 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.068 -9.820 -11.407 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.325 -7.617 -11.427 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.279 -9.545 -11.911 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.478 -8.215 -11.955 1.00 0.00 N ATOM 0 H HIS A 34 -7.896 -7.905 -7.829 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.198 -10.340 -9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.934 -7.424 -10.197 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.323 -8.798 -11.097 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.154 -6.558 -11.299 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.994 -10.286 -12.236 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.307 -7.735 -12.305 1.00 0.00 H new ATOM 510 N SER A 35 -4.730 -10.012 -8.869 1.00 0.00 N ATOM 511 CA SER A 35 -3.410 -9.948 -8.273 1.00 0.00 C ATOM 512 C SER A 35 -2.855 -8.541 -8.482 1.00 0.00 C ATOM 513 O SER A 35 -2.962 -7.958 -9.572 1.00 0.00 O ATOM 514 CB SER A 35 -2.481 -11.039 -8.815 1.00 0.00 C ATOM 515 OG SER A 35 -2.479 -11.099 -10.227 1.00 0.00 O ATOM 0 H SER A 35 -4.833 -10.690 -9.624 1.00 0.00 H new ATOM 0 HA SER A 35 -3.480 -10.144 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.466 -10.856 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.789 -12.005 -8.414 1.00 0.00 H new ATOM 0 HG SER A 35 -1.871 -11.808 -10.523 1.00 0.00 H new ATOM 521 N GLY A 36 -2.250 -8.001 -7.432 1.00 0.00 N ATOM 522 CA GLY A 36 -1.709 -6.665 -7.421 1.00 0.00 C ATOM 523 C GLY A 36 -2.647 -5.643 -6.818 1.00 0.00 C ATOM 524 O GLY A 36 -2.154 -4.548 -6.558 1.00 0.00 O ATOM 0 H GLY A 36 -2.123 -8.497 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.774 -6.664 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.469 -6.369 -8.442 1.00 0.00 H new ATOM 528 N ASP A 37 -3.936 -5.954 -6.620 1.00 0.00 N ATOM 529 CA ASP A 37 -4.864 -5.084 -5.896 1.00 0.00 C ATOM 530 C ASP A 37 -4.292 -4.862 -4.509 1.00 0.00 C ATOM 531 O ASP A 37 -3.956 -5.839 -3.838 1.00 0.00 O ATOM 532 CB ASP A 37 -6.271 -5.684 -5.752 1.00 0.00 C ATOM 533 CG ASP A 37 -7.259 -5.278 -6.839 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.305 -4.074 -7.183 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.046 -6.156 -7.257 1.00 0.00 O ATOM 0 H ASP A 37 -4.361 -6.817 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.969 -4.159 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.187 -6.771 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.678 -5.390 -4.784 1.00 0.00 H new ATOM 540 N PHE A 38 -4.196 -3.612 -4.066 1.00 0.00 N ATOM 541 CA PHE A 38 -3.669 -3.226 -2.774 1.00 0.00 C ATOM 542 C PHE A 38 -4.498 -2.106 -2.156 1.00 0.00 C ATOM 543 O PHE A 38 -5.089 -1.280 -2.855 1.00 0.00 O ATOM 544 CB PHE A 38 -2.194 -2.804 -2.919 1.00 0.00 C ATOM 545 CG PHE A 38 -1.926 -1.619 -3.832 1.00 0.00 C ATOM 546 CD1 PHE A 38 -2.308 -0.317 -3.459 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.209 -1.805 -5.030 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.981 0.777 -4.263 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.948 -0.715 -5.877 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.335 0.578 -5.487 1.00 0.00 C ATOM 0 H PHE A 38 -4.497 -2.813 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.726 -4.083 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.805 -2.569 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.627 -3.658 -3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.859 -0.162 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.858 -2.790 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.227 1.777 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.452 -0.870 -6.824 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.133 1.419 -6.133 1.00 0.00 H new ATOM 560 N LEU A 39 -4.420 -2.006 -0.831 1.00 0.00 N ATOM 561 CA LEU A 39 -4.806 -0.855 -0.044 1.00 0.00 C ATOM 562 C LEU A 39 -3.789 -0.675 1.085 1.00 0.00 C ATOM 563 O LEU A 39 -2.986 -1.583 1.367 1.00 0.00 O ATOM 564 CB LEU A 39 -6.220 -1.068 0.498 1.00 0.00 C ATOM 565 CG LEU A 39 -6.327 -2.277 1.449 1.00 0.00 C ATOM 566 CD1 LEU A 39 -7.015 -1.881 2.742 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.055 -3.443 0.791 1.00 0.00 C ATOM 0 H LEU A 39 -4.066 -2.770 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.814 0.050 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.540 -0.169 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.906 -1.209 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.314 -2.606 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.081 -2.748 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.441 -1.095 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.018 -1.515 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.112 -4.277 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.062 -3.133 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.512 -3.754 -0.102 1.00 0.00 H new ATOM 579 N VAL A 40 -3.848 0.471 1.756 1.00 0.00 N ATOM 580 CA VAL A 40 -3.236 0.683 3.056 1.00 0.00 C ATOM 581 C VAL A 40 -4.393 0.746 4.040 1.00 0.00 C ATOM 582 O VAL A 40 -5.351 1.496 3.832 1.00 0.00 O ATOM 583 CB VAL A 40 -2.362 1.954 3.078 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.799 2.209 4.481 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.172 1.815 2.120 1.00 0.00 C ATOM 0 H VAL A 40 -4.334 1.294 1.400 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.548 -0.121 3.317 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.000 2.783 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.187 3.111 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.621 2.338 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.188 1.360 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.570 2.723 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.561 0.964 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.538 1.659 1.105 1.00 0.00 H new ATOM 595 N ARG A 41 -4.314 -0.080 5.083 1.00 0.00 N ATOM 596 CA ARG A 41 -5.210 -0.022 6.229 1.00 0.00 C ATOM 597 C ARG A 41 -4.401 0.404 7.441 1.00 0.00 C ATOM 598 O ARG A 41 -3.192 0.180 7.478 1.00 0.00 O ATOM 599 CB ARG A 41 -5.905 -1.371 6.475 1.00 0.00 C ATOM 600 CG ARG A 41 -4.901 -2.463 6.863 1.00 0.00 C ATOM 601 CD ARG A 41 -5.497 -3.864 6.867 1.00 0.00 C ATOM 602 NE ARG A 41 -6.185 -4.141 8.131 1.00 0.00 N ATOM 603 CZ ARG A 41 -6.021 -5.162 8.972 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.186 -6.164 8.708 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.708 -5.162 10.102 1.00 0.00 N ATOM 0 H ARG A 41 -3.614 -0.818 5.153 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.001 0.702 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.646 -1.260 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.442 -1.673 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.061 -2.436 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.503 -2.244 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.197 -3.967 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.707 -4.599 6.710 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.889 -3.456 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.649 -6.165 7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.083 -6.931 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.344 -4.393 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.602 -5.931 10.764 1.00 0.00 H new ATOM 619 N GLU A 42 -5.058 0.913 8.468 1.00 0.00 N ATOM 620 CA GLU A 42 -4.478 1.150 9.778 1.00 0.00 C ATOM 621 C GLU A 42 -4.794 -0.036 10.695 1.00 0.00 C ATOM 622 O GLU A 42 -5.679 -0.850 10.414 1.00 0.00 O ATOM 623 CB GLU A 42 -4.976 2.500 10.323 1.00 0.00 C ATOM 624 CG GLU A 42 -3.945 3.143 11.261 1.00 0.00 C ATOM 625 CD GLU A 42 -4.450 4.396 11.971 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.517 4.338 12.630 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.713 5.406 11.990 1.00 0.00 O ATOM 0 H GLU A 42 -6.041 1.181 8.411 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.392 1.220 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.184 3.174 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.915 2.354 10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.643 2.410 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.054 3.397 10.686 1.00 0.00 H new ATOM 634 N SER A 43 -4.060 -0.106 11.800 1.00 0.00 N ATOM 635 CA SER A 43 -4.140 -1.052 12.900 1.00 0.00 C ATOM 636 C SER A 43 -5.489 -0.991 13.642 1.00 0.00 C ATOM 637 O SER A 43 -6.474 -0.400 13.181 1.00 0.00 O ATOM 638 CB SER A 43 -2.946 -0.732 13.815 1.00 0.00 C ATOM 639 OG SER A 43 -2.609 -1.808 14.664 1.00 0.00 O ATOM 0 H SER A 43 -3.316 0.573 11.961 1.00 0.00 H new ATOM 0 HA SER A 43 -4.090 -2.078 12.535 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.082 -0.473 13.202 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.181 0.144 14.420 1.00 0.00 H new ATOM 0 HG SER A 43 -2.076 -2.463 14.166 1.00 0.00 H new ATOM 645 N GLN A 44 -5.533 -1.643 14.804 1.00 0.00 N ATOM 646 CA GLN A 44 -6.677 -1.771 15.703 1.00 0.00 C ATOM 647 C GLN A 44 -6.997 -0.488 16.500 1.00 0.00 C ATOM 648 O GLN A 44 -7.774 -0.551 17.451 1.00 0.00 O ATOM 649 CB GLN A 44 -6.421 -2.979 16.632 1.00 0.00 C ATOM 650 CG GLN A 44 -5.302 -2.776 17.668 1.00 0.00 C ATOM 651 CD GLN A 44 -5.041 -4.043 18.485 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.956 -4.669 19.015 1.00 0.00 O ATOM 653 NE2 GLN A 44 -3.791 -4.445 18.626 1.00 0.00 N ATOM 0 H GLN A 44 -4.712 -2.129 15.166 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.569 -1.936 15.099 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.345 -3.215 17.159 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.174 -3.845 16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.386 -2.478 17.158 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.573 -1.961 18.339 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.034 -3.923 18.184 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.582 -5.278 19.176 1.00 0.00 H new ATOM 662 N GLY A 45 -6.355 0.643 16.198 1.00 0.00 N ATOM 663 CA GLY A 45 -6.469 1.916 16.907 1.00 0.00 C ATOM 664 C GLY A 45 -5.101 2.417 17.368 1.00 0.00 C ATOM 665 O GLY A 45 -4.967 2.857 18.509 1.00 0.00 O ATOM 0 H GLY A 45 -5.708 0.696 15.411 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.930 2.658 16.255 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.125 1.797 17.769 1.00 0.00 H new ATOM 669 N LYS A 46 -4.047 2.223 16.565 1.00 0.00 N ATOM 670 CA LYS A 46 -2.658 2.598 16.863 1.00 0.00 C ATOM 671 C LYS A 46 -2.047 3.225 15.608 1.00 0.00 C ATOM 672 O LYS A 46 -2.612 3.077 14.525 1.00 0.00 O ATOM 673 CB LYS A 46 -1.849 1.365 17.331 1.00 0.00 C ATOM 674 CG LYS A 46 -2.470 0.556 18.490 1.00 0.00 C ATOM 675 CD LYS A 46 -2.589 1.333 19.815 1.00 0.00 C ATOM 676 CE LYS A 46 -3.883 0.955 20.553 1.00 0.00 C ATOM 677 NZ LYS A 46 -4.239 1.926 21.610 1.00 0.00 N ATOM 0 H LYS A 46 -4.143 1.781 15.651 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.632 3.323 17.676 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.713 0.698 16.479 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.857 1.699 17.636 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.462 0.218 18.191 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.867 -0.336 18.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.728 1.117 20.447 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.578 2.405 19.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.700 0.889 19.835 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.768 -0.034 20.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.118 1.625 22.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.473 1.971 22.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.376 2.866 21.186 1.00 0.00 H new ATOM 691 N GLN A 47 -0.906 3.903 15.718 1.00 0.00 N ATOM 692 CA GLN A 47 -0.258 4.620 14.612 1.00 0.00 C ATOM 693 C GLN A 47 0.501 3.688 13.644 1.00 0.00 C ATOM 694 O GLN A 47 1.573 4.045 13.150 1.00 0.00 O ATOM 695 CB GLN A 47 0.666 5.707 15.189 1.00 0.00 C ATOM 696 CG GLN A 47 -0.098 6.846 15.872 1.00 0.00 C ATOM 697 CD GLN A 47 0.823 7.996 16.266 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.845 7.793 16.930 1.00 0.00 O ATOM 699 NE2 GLN A 47 0.513 9.213 15.869 1.00 0.00 N ATOM 0 H GLN A 47 -0.392 3.973 16.596 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.040 5.083 14.011 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.347 5.252 15.908 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.278 6.118 14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.873 7.216 15.201 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.601 6.464 16.760 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.333 9.371 15.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.119 9.998 16.109 1.00 0.00 H new ATOM 708 N GLU A 48 0.009 2.473 13.405 1.00 0.00 N ATOM 709 CA GLU A 48 0.623 1.469 12.568 1.00 0.00 C ATOM 710 C GLU A 48 -0.280 1.288 11.357 1.00 0.00 C ATOM 711 O GLU A 48 -1.500 1.169 11.502 1.00 0.00 O ATOM 712 CB GLU A 48 0.753 0.205 13.429 1.00 0.00 C ATOM 713 CG GLU A 48 0.809 -1.127 12.683 1.00 0.00 C ATOM 714 CD GLU A 48 0.560 -2.296 13.641 1.00 0.00 C ATOM 715 OE1 GLU A 48 1.473 -2.660 14.418 1.00 0.00 O ATOM 716 OE2 GLU A 48 -0.549 -2.886 13.607 1.00 0.00 O ATOM 0 H GLU A 48 -0.870 2.157 13.814 1.00 0.00 H new ATOM 0 HA GLU A 48 1.615 1.732 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.656 0.295 14.033 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.090 0.174 14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.063 -1.136 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.783 -1.242 12.207 1.00 0.00 H new ATOM 723 N TYR A 49 0.319 1.238 10.173 1.00 0.00 N ATOM 724 CA TYR A 49 -0.376 0.865 8.952 1.00 0.00 C ATOM 725 C TYR A 49 0.053 -0.537 8.522 1.00 0.00 C ATOM 726 O TYR A 49 1.125 -1.022 8.877 1.00 0.00 O ATOM 727 CB TYR A 49 -0.123 1.886 7.835 1.00 0.00 C ATOM 728 CG TYR A 49 -0.735 3.265 7.988 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.121 3.419 8.149 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.070 4.408 7.872 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.693 4.698 8.246 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.496 5.690 7.910 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.885 5.844 8.098 1.00 0.00 C ATOM 734 OH TYR A 49 -2.442 7.083 8.102 1.00 0.00 O ATOM 0 H TYR A 49 1.306 1.457 10.035 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.448 0.860 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.955 2.007 7.730 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.488 1.459 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.754 2.545 8.199 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.138 4.299 7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.751 4.804 8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.133 6.561 7.795 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.409 7.007 7.961 1.00 0.00 H new ATOM 744 N VAL A 50 -0.777 -1.182 7.710 1.00 0.00 N ATOM 745 CA VAL A 50 -0.588 -2.507 7.153 1.00 0.00 C ATOM 746 C VAL A 50 -0.872 -2.382 5.659 1.00 0.00 C ATOM 747 O VAL A 50 -1.912 -1.856 5.248 1.00 0.00 O ATOM 748 CB VAL A 50 -1.557 -3.499 7.826 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.524 -4.893 7.178 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.337 -3.667 9.331 1.00 0.00 C ATOM 0 H VAL A 50 -1.655 -0.762 7.407 1.00 0.00 H new ATOM 0 HA VAL A 50 0.421 -2.883 7.322 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.534 -3.040 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.226 -5.550 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.805 -4.813 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.518 -5.306 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.059 -4.381 9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.327 -4.034 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.468 -2.706 9.827 1.00 0.00 H new ATOM 760 N LEU A 51 0.052 -2.867 4.844 1.00 0.00 N ATOM 761 CA LEU A 51 -0.174 -3.092 3.435 1.00 0.00 C ATOM 762 C LEU A 51 -0.986 -4.360 3.299 1.00 0.00 C ATOM 763 O LEU A 51 -0.606 -5.399 3.842 1.00 0.00 O ATOM 764 CB LEU A 51 1.158 -3.299 2.701 1.00 0.00 C ATOM 765 CG LEU A 51 0.958 -3.159 1.185 1.00 0.00 C ATOM 766 CD1 LEU A 51 1.055 -1.685 0.803 1.00 0.00 C ATOM 767 CD2 LEU A 51 1.980 -3.976 0.400 1.00 0.00 C ATOM 0 H LEU A 51 0.991 -3.117 5.153 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.687 -2.231 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.889 -2.569 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.559 -4.286 2.932 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.029 -3.547 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.914 -1.578 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.284 -1.122 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.037 -1.301 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.804 -3.850 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.985 -3.633 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.882 -5.030 0.662 1.00 0.00 H new ATOM 779 N SER A 52 -2.081 -4.289 2.556 1.00 0.00 N ATOM 780 CA SER A 52 -2.909 -5.444 2.277 1.00 0.00 C ATOM 781 C SER A 52 -3.034 -5.515 0.762 1.00 0.00 C ATOM 782 O SER A 52 -3.662 -4.649 0.160 1.00 0.00 O ATOM 783 CB SER A 52 -4.241 -5.309 3.018 1.00 0.00 C ATOM 784 OG SER A 52 -4.034 -4.830 4.336 1.00 0.00 O ATOM 0 H SER A 52 -2.417 -3.425 2.131 1.00 0.00 H new ATOM 0 HA SER A 52 -2.483 -6.382 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.897 -4.627 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.744 -6.275 3.052 1.00 0.00 H new ATOM 0 HG SER A 52 -4.372 -3.913 4.408 1.00 0.00 H new ATOM 790 N VAL A 53 -2.347 -6.474 0.143 1.00 0.00 N ATOM 791 CA VAL A 53 -2.250 -6.669 -1.298 1.00 0.00 C ATOM 792 C VAL A 53 -2.588 -8.129 -1.626 1.00 0.00 C ATOM 793 O VAL A 53 -2.271 -9.024 -0.835 1.00 0.00 O ATOM 794 CB VAL A 53 -0.855 -6.201 -1.774 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.288 -6.830 -0.959 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.595 -6.439 -3.269 1.00 0.00 C ATOM 0 H VAL A 53 -1.816 -7.172 0.664 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.972 -6.064 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.868 -5.124 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.245 -6.468 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.182 -6.554 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.248 -7.915 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.403 -6.085 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.669 -7.505 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.335 -5.897 -3.858 1.00 0.00 H new ATOM 806 N LEU A 54 -3.269 -8.382 -2.743 1.00 0.00 N ATOM 807 CA LEU A 54 -3.632 -9.712 -3.221 1.00 0.00 C ATOM 808 C LEU A 54 -2.457 -10.194 -4.061 1.00 0.00 C ATOM 809 O LEU A 54 -2.126 -9.548 -5.056 1.00 0.00 O ATOM 810 CB LEU A 54 -4.933 -9.669 -4.056 1.00 0.00 C ATOM 811 CG LEU A 54 -5.685 -11.015 -4.137 1.00 0.00 C ATOM 812 CD1 LEU A 54 -4.796 -12.227 -4.298 1.00 0.00 C ATOM 813 CD2 LEU A 54 -6.638 -11.156 -2.954 1.00 0.00 C ATOM 0 H LEU A 54 -3.594 -7.638 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.827 -10.390 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.600 -8.920 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.691 -9.341 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.262 -10.986 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.411 -13.126 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.217 -12.134 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.118 -12.296 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.163 -12.109 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.071 -11.119 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.362 -10.341 -2.971 1.00 0.00 H new ATOM 825 N TRP A 55 -1.834 -11.317 -3.704 1.00 0.00 N ATOM 826 CA TRP A 55 -0.858 -11.962 -4.565 1.00 0.00 C ATOM 827 C TRP A 55 -1.243 -13.422 -4.731 1.00 0.00 C ATOM 828 O TRP A 55 -1.418 -14.128 -3.737 1.00 0.00 O ATOM 829 CB TRP A 55 0.550 -11.767 -4.004 1.00 0.00 C ATOM 830 CG TRP A 55 1.625 -11.782 -5.049 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.736 -12.553 -5.040 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.721 -10.964 -6.260 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.494 -12.285 -6.163 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.945 -11.275 -6.925 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.922 -9.953 -6.837 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.374 -10.568 -8.060 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.291 -9.322 -8.039 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.515 -9.634 -8.651 1.00 0.00 C ATOM 0 H TRP A 55 -1.993 -11.797 -2.818 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.853 -11.508 -5.556 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.590 -10.818 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.753 -12.552 -3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.991 -13.269 -4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.356 -12.775 -6.400 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.007 -9.658 -6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.357 -10.743 -8.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.631 -8.596 -8.492 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.794 -9.154 -9.577 1.00 0.00 H new ATOM 849 N ASP A 56 -1.432 -13.848 -5.979 1.00 0.00 N ATOM 850 CA ASP A 56 -1.829 -15.192 -6.389 1.00 0.00 C ATOM 851 C ASP A 56 -2.944 -15.779 -5.513 1.00 0.00 C ATOM 852 O ASP A 56 -2.782 -16.807 -4.849 1.00 0.00 O ATOM 853 CB ASP A 56 -0.588 -16.087 -6.474 1.00 0.00 C ATOM 854 CG ASP A 56 -0.883 -17.440 -7.118 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.002 -17.663 -7.625 1.00 0.00 O ATOM 856 OD2 ASP A 56 0.021 -18.307 -7.093 1.00 0.00 O ATOM 0 H ASP A 56 -1.304 -13.226 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.272 -15.134 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.185 -15.576 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.189 -16.245 -5.472 1.00 0.00 H new ATOM 861 N GLY A 57 -4.097 -15.108 -5.485 1.00 0.00 N ATOM 862 CA GLY A 57 -5.301 -15.591 -4.822 1.00 0.00 C ATOM 863 C GLY A 57 -5.214 -15.541 -3.296 1.00 0.00 C ATOM 864 O GLY A 57 -6.107 -16.045 -2.611 1.00 0.00 O ATOM 0 H GLY A 57 -4.218 -14.199 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.152 -14.994 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.492 -16.618 -5.134 1.00 0.00 H new ATOM 868 N LEU A 58 -4.137 -14.954 -2.766 1.00 0.00 N ATOM 869 CA LEU A 58 -3.857 -14.870 -1.344 1.00 0.00 C ATOM 870 C LEU A 58 -3.622 -13.400 -0.952 1.00 0.00 C ATOM 871 O LEU A 58 -2.556 -12.855 -1.244 1.00 0.00 O ATOM 872 CB LEU A 58 -2.688 -15.795 -0.982 1.00 0.00 C ATOM 873 CG LEU A 58 -2.643 -16.151 0.514 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.632 -17.281 0.720 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.282 -14.956 1.401 1.00 0.00 C ATOM 0 H LEU A 58 -3.418 -14.513 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.712 -15.218 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.764 -16.712 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.751 -15.314 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.643 -16.466 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.590 -17.543 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.938 -18.153 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.647 -16.953 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.266 -15.269 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.299 -14.579 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.024 -14.168 1.270 1.00 0.00 H new ATOM 887 N PRO A 59 -4.579 -12.743 -0.277 1.00 0.00 N ATOM 888 CA PRO A 59 -4.408 -11.435 0.345 1.00 0.00 C ATOM 889 C PRO A 59 -3.348 -11.509 1.453 1.00 0.00 C ATOM 890 O PRO A 59 -3.623 -11.944 2.578 1.00 0.00 O ATOM 891 CB PRO A 59 -5.795 -11.026 0.862 1.00 0.00 C ATOM 892 CG PRO A 59 -6.467 -12.365 1.104 1.00 0.00 C ATOM 893 CD PRO A 59 -5.861 -13.304 0.088 1.00 0.00 C ATOM 0 HA PRO A 59 -4.043 -10.683 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.729 -10.435 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.339 -10.426 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.289 -12.717 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.547 -12.292 0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.742 -14.304 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.506 -13.399 -0.786 1.00 0.00 H new ATOM 901 N ARG A 60 -2.114 -11.109 1.133 1.00 0.00 N ATOM 902 CA ARG A 60 -1.015 -10.985 2.087 1.00 0.00 C ATOM 903 C ARG A 60 -1.196 -9.723 2.925 1.00 0.00 C ATOM 904 O ARG A 60 -1.830 -8.771 2.472 1.00 0.00 O ATOM 905 CB ARG A 60 0.301 -10.857 1.312 1.00 0.00 C ATOM 906 CG ARG A 60 0.579 -11.996 0.322 1.00 0.00 C ATOM 907 CD ARG A 60 1.071 -13.234 1.072 1.00 0.00 C ATOM 908 NE ARG A 60 1.205 -14.402 0.191 1.00 0.00 N ATOM 909 CZ ARG A 60 1.789 -15.549 0.549 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.276 -15.712 1.773 1.00 0.00 N ATOM 911 NH2 ARG A 60 1.886 -16.540 -0.323 1.00 0.00 N ATOM 0 H ARG A 60 -1.848 -10.857 0.181 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.002 -11.862 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.294 -9.914 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.123 -10.806 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.328 -12.234 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.326 -11.681 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.034 -13.017 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.376 -13.468 1.879 1.00 0.00 H new ATOM 0 HE ARG A 60 0.828 -14.333 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.207 -14.956 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.719 -16.593 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.515 -16.427 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.332 -17.416 -0.051 1.00 0.00 H new ATOM 925 N HIS A 61 -0.590 -9.668 4.105 1.00 0.00 N ATOM 926 CA HIS A 61 -0.630 -8.506 4.987 1.00 0.00 C ATOM 927 C HIS A 61 0.778 -8.276 5.533 1.00 0.00 C ATOM 928 O HIS A 61 1.283 -9.071 6.330 1.00 0.00 O ATOM 929 CB HIS A 61 -1.726 -8.632 6.068 1.00 0.00 C ATOM 930 CG HIS A 61 -2.021 -10.026 6.572 1.00 0.00 C ATOM 931 ND1 HIS A 61 -1.639 -10.558 7.785 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.788 -10.966 5.933 1.00 0.00 C ATOM 933 CE1 HIS A 61 -2.144 -11.797 7.859 1.00 0.00 C ATOM 934 NE2 HIS A 61 -2.837 -12.105 6.747 1.00 0.00 N ATOM 0 H HIS A 61 -0.047 -10.444 4.483 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.923 -7.615 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.437 -8.016 6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.649 -8.212 5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.269 -10.849 4.973 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.012 -12.461 8.700 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.303 -12.988 6.539 1.00 0.00 H new ATOM 942 N PHE A 62 1.457 -7.242 5.031 1.00 0.00 N ATOM 943 CA PHE A 62 2.804 -6.844 5.432 1.00 0.00 C ATOM 944 C PHE A 62 2.647 -5.504 6.154 1.00 0.00 C ATOM 945 O PHE A 62 2.074 -4.586 5.581 1.00 0.00 O ATOM 946 CB PHE A 62 3.757 -6.748 4.215 1.00 0.00 C ATOM 947 CG PHE A 62 3.783 -7.942 3.265 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.640 -9.043 3.478 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.982 -7.918 2.108 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.673 -10.112 2.560 1.00 0.00 C ATOM 951 CE2 PHE A 62 3.023 -8.980 1.190 1.00 0.00 C ATOM 952 CZ PHE A 62 3.852 -10.095 1.417 1.00 0.00 C ATOM 0 H PHE A 62 1.067 -6.638 4.307 1.00 0.00 H new ATOM 0 HA PHE A 62 3.260 -7.585 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.486 -5.863 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.769 -6.588 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.275 -9.067 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.331 -7.076 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.332 -10.949 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.412 -8.941 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.858 -10.924 0.725 1.00 0.00 H new ATOM 962 N ILE A 63 3.095 -5.372 7.407 1.00 0.00 N ATOM 963 CA ILE A 63 3.081 -4.083 8.112 1.00 0.00 C ATOM 964 C ILE A 63 3.837 -3.062 7.262 1.00 0.00 C ATOM 965 O ILE A 63 4.894 -3.391 6.708 1.00 0.00 O ATOM 966 CB ILE A 63 3.642 -4.237 9.545 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.552 -4.877 10.438 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.165 -2.923 10.161 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.587 -3.865 11.072 1.00 0.00 C ATOM 0 H ILE A 63 3.473 -6.144 7.956 1.00 0.00 H new ATOM 0 HA ILE A 63 2.061 -3.720 8.241 1.00 0.00 H new ATOM 0 HB ILE A 63 4.517 -4.884 9.485 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.978 -5.585 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.036 -5.447 11.231 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.541 -3.116 11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.970 -2.526 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.354 -2.196 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.854 -4.394 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.147 -3.171 11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.073 -3.311 10.287 1.00 0.00 H new ATOM 981 N ILE A 64 3.267 -1.862 7.120 1.00 0.00 N ATOM 982 CA ILE A 64 3.926 -0.781 6.414 1.00 0.00 C ATOM 983 C ILE A 64 5.226 -0.492 7.150 1.00 0.00 C ATOM 984 O ILE A 64 5.317 -0.497 8.375 1.00 0.00 O ATOM 985 CB ILE A 64 3.037 0.473 6.283 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.780 0.212 5.431 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.783 1.690 5.702 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.010 0.056 3.928 1.00 0.00 C ATOM 0 H ILE A 64 2.347 -1.623 7.489 1.00 0.00 H new ATOM 0 HA ILE A 64 4.131 -1.079 5.386 1.00 0.00 H new ATOM 0 HB ILE A 64 2.741 0.706 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.296 -0.692 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.082 1.034 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.101 2.538 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.620 1.947 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.156 1.447 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.057 -0.124 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.460 0.967 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.678 -0.786 3.748 1.00 0.00 H new ATOM 1000 N GLN A 65 6.231 -0.248 6.332 1.00 0.00 N ATOM 1001 CA GLN A 65 7.598 0.055 6.684 1.00 0.00 C ATOM 1002 C GLN A 65 7.659 1.246 7.608 1.00 0.00 C ATOM 1003 O GLN A 65 6.701 2.006 7.733 1.00 0.00 O ATOM 1004 CB GLN A 65 8.383 0.399 5.413 1.00 0.00 C ATOM 1005 CG GLN A 65 8.042 -0.560 4.253 1.00 0.00 C ATOM 1006 CD GLN A 65 6.880 -0.060 3.407 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.747 -0.502 3.546 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.120 0.903 2.547 1.00 0.00 N ATOM 0 H GLN A 65 6.097 -0.258 5.321 1.00 0.00 H new ATOM 0 HA GLN A 65 8.025 -0.815 7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.161 1.424 5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.452 0.352 5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.920 -0.686 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.797 -1.542 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.067 1.265 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.359 1.289 1.988 1.00 0.00 H new ATOM 1017 N SER A 66 8.840 1.460 8.162 1.00 0.00 N ATOM 1018 CA SER A 66 9.066 2.402 9.207 1.00 0.00 C ATOM 1019 C SER A 66 10.544 2.285 9.564 1.00 0.00 C ATOM 1020 O SER A 66 11.064 1.178 9.730 1.00 0.00 O ATOM 1021 CB SER A 66 8.133 2.018 10.357 1.00 0.00 C ATOM 1022 OG SER A 66 8.189 0.630 10.659 1.00 0.00 O ATOM 0 H SER A 66 9.683 0.961 7.878 1.00 0.00 H new ATOM 0 HA SER A 66 8.856 3.438 8.942 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.400 2.591 11.245 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.110 2.290 10.098 1.00 0.00 H new ATOM 0 HG SER A 66 9.078 0.282 10.437 1.00 0.00 H new ATOM 1028 N LEU A 67 11.219 3.422 9.691 1.00 0.00 N ATOM 1029 CA LEU A 67 12.505 3.505 10.369 1.00 0.00 C ATOM 1030 C LEU A 67 12.545 4.700 11.317 1.00 0.00 C ATOM 1031 O LEU A 67 12.650 4.496 12.528 1.00 0.00 O ATOM 1032 CB LEU A 67 13.694 3.485 9.397 1.00 0.00 C ATOM 1033 CG LEU A 67 13.565 4.348 8.126 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.963 4.791 7.684 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.921 3.565 6.980 1.00 0.00 C ATOM 0 H LEU A 67 10.888 4.314 9.325 1.00 0.00 H new ATOM 0 HA LEU A 67 12.610 2.603 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.582 3.809 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.866 2.453 9.091 1.00 0.00 H new ATOM 0 HG LEU A 67 12.934 5.206 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.884 5.402 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.428 5.373 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.573 3.913 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.846 4.204 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.533 2.694 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.925 3.238 7.277 1.00 0.00 H new ATOM 1047 N ASP A 68 12.510 5.925 10.789 1.00 0.00 N ATOM 1048 CA ASP A 68 12.692 7.176 11.532 1.00 0.00 C ATOM 1049 C ASP A 68 11.670 8.209 11.081 1.00 0.00 C ATOM 1050 O ASP A 68 10.933 8.766 11.896 1.00 0.00 O ATOM 1051 CB ASP A 68 14.076 7.787 11.260 1.00 0.00 C ATOM 1052 CG ASP A 68 15.231 7.100 11.964 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.107 6.687 13.137 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.306 6.965 11.331 1.00 0.00 O ATOM 0 H ASP A 68 12.348 6.080 9.794 1.00 0.00 H new ATOM 0 HA ASP A 68 12.579 6.935 12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.261 7.766 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.059 8.835 11.560 1.00 0.00 H new ATOM 1059 N ASN A 69 11.681 8.502 9.782 1.00 0.00 N ATOM 1060 CA ASN A 69 10.915 9.547 9.118 1.00 0.00 C ATOM 1061 C ASN A 69 10.515 9.131 7.700 1.00 0.00 C ATOM 1062 O ASN A 69 10.042 9.947 6.910 1.00 0.00 O ATOM 1063 CB ASN A 69 11.794 10.807 9.055 1.00 0.00 C ATOM 1064 CG ASN A 69 10.989 12.046 8.693 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.177 12.509 9.488 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.236 12.679 7.559 1.00 0.00 N ATOM 0 H ASN A 69 12.263 7.981 9.126 1.00 0.00 H new ATOM 0 HA ASN A 69 9.999 9.733 9.678 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.279 10.959 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.585 10.661 8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.752 13.551 7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.911 12.295 6.897 1.00 0.00 H new ATOM 1073 N LEU A 70 10.838 7.891 7.332 1.00 0.00 N ATOM 1074 CA LEU A 70 10.750 7.365 5.985 1.00 0.00 C ATOM 1075 C LEU A 70 10.130 5.979 6.068 1.00 0.00 C ATOM 1076 O LEU A 70 9.934 5.430 7.155 1.00 0.00 O ATOM 1077 CB LEU A 70 12.136 7.251 5.305 1.00 0.00 C ATOM 1078 CG LEU A 70 13.101 8.449 5.430 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.527 7.938 5.642 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.031 9.360 4.206 1.00 0.00 C ATOM 0 H LEU A 70 11.182 7.202 8.000 1.00 0.00 H new ATOM 0 HA LEU A 70 10.148 8.048 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.638 6.373 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.974 7.061 4.244 1.00 0.00 H new ATOM 0 HG LEU A 70 12.798 9.044 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.208 8.785 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.568 7.343 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.823 7.322 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.724 10.192 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.301 8.793 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.017 9.746 4.097 1.00 0.00 H new ATOM 1092 N TYR A 71 9.895 5.376 4.917 1.00 0.00 N ATOM 1093 CA TYR A 71 9.284 4.068 4.788 1.00 0.00 C ATOM 1094 C TYR A 71 10.140 3.385 3.721 1.00 0.00 C ATOM 1095 O TYR A 71 10.279 3.967 2.646 1.00 0.00 O ATOM 1096 CB TYR A 71 7.825 4.276 4.323 1.00 0.00 C ATOM 1097 CG TYR A 71 7.072 5.325 5.128 1.00 0.00 C ATOM 1098 CD1 TYR A 71 7.109 6.685 4.758 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.437 4.958 6.319 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.562 7.665 5.607 1.00 0.00 C ATOM 1101 CE2 TYR A 71 5.899 5.918 7.182 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.960 7.286 6.831 1.00 0.00 C ATOM 1103 OH TYR A 71 5.456 8.241 7.662 1.00 0.00 O ATOM 0 H TYR A 71 10.132 5.797 4.019 1.00 0.00 H new ATOM 0 HA TYR A 71 9.247 3.475 5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.825 4.568 3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.292 3.327 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.559 6.976 3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.361 3.912 6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.601 8.707 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.439 5.616 8.111 1.00 0.00 H new ATOM 0 HH TYR A 71 5.077 7.814 8.459 1.00 0.00 H new ATOM 1113 N ARG A 72 10.757 2.225 3.986 1.00 0.00 N ATOM 1114 CA ARG A 72 11.626 1.507 3.041 1.00 0.00 C ATOM 1115 C ARG A 72 11.255 0.036 3.026 1.00 0.00 C ATOM 1116 O ARG A 72 11.181 -0.567 4.098 1.00 0.00 O ATOM 1117 CB ARG A 72 13.116 1.683 3.397 1.00 0.00 C ATOM 1118 CG ARG A 72 13.592 1.088 4.732 1.00 0.00 C ATOM 1119 CD ARG A 72 14.021 -0.385 4.680 1.00 0.00 C ATOM 1120 NE ARG A 72 15.473 -0.565 4.767 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.080 -1.673 5.201 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.372 -2.776 5.443 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.395 -1.655 5.392 1.00 0.00 N ATOM 0 H ARG A 72 10.664 1.749 4.883 1.00 0.00 H new ATOM 0 HA ARG A 72 11.475 1.930 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.709 1.239 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.338 2.750 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.431 1.681 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.789 1.190 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.544 -0.925 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.661 -0.829 3.752 1.00 0.00 H new ATOM 0 HE ARG A 72 16.064 0.213 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.363 -2.776 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.840 -3.620 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.926 -0.804 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.874 -2.493 5.723 1.00 0.00 H new ATOM 1137 N LEU A 73 10.949 -0.533 1.860 1.00 0.00 N ATOM 1138 CA LEU A 73 10.500 -1.926 1.761 1.00 0.00 C ATOM 1139 C LEU A 73 11.571 -2.810 1.154 1.00 0.00 C ATOM 1140 O LEU A 73 11.605 -4.008 1.446 1.00 0.00 O ATOM 1141 CB LEU A 73 9.200 -2.019 0.952 1.00 0.00 C ATOM 1142 CG LEU A 73 8.401 -3.315 1.157 1.00 0.00 C ATOM 1143 CD1 LEU A 73 7.943 -3.640 2.587 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.172 -3.172 0.292 1.00 0.00 C ATOM 0 H LEU A 73 11.004 -0.049 0.964 1.00 0.00 H new ATOM 0 HA LEU A 73 10.306 -2.285 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.565 -1.173 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.440 -1.921 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 73 9.071 -4.137 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.391 -4.580 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.814 -3.730 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.299 -2.841 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.553 -4.064 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.603 -2.299 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.472 -3.050 -0.749 1.00 0.00 H new ATOM 1156 N GLU A 74 12.466 -2.225 0.364 1.00 0.00 N ATOM 1157 CA GLU A 74 13.499 -2.968 -0.326 1.00 0.00 C ATOM 1158 C GLU A 74 14.826 -2.221 -0.310 1.00 0.00 C ATOM 1159 O GLU A 74 15.780 -2.710 0.294 1.00 0.00 O ATOM 1160 CB GLU A 74 13.021 -3.291 -1.737 1.00 0.00 C ATOM 1161 CG GLU A 74 14.045 -4.122 -2.515 1.00 0.00 C ATOM 1162 CD GLU A 74 13.431 -4.753 -3.754 1.00 0.00 C ATOM 1163 OE1 GLU A 74 12.601 -4.118 -4.432 1.00 0.00 O ATOM 1164 OE2 GLU A 74 13.819 -5.903 -4.065 1.00 0.00 O ATOM 0 H GLU A 74 12.490 -1.221 0.188 1.00 0.00 H new ATOM 0 HA GLU A 74 13.684 -3.908 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.078 -3.835 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.824 -2.363 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.882 -3.488 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.446 -4.903 -1.869 1.00 0.00 H new ATOM 1171 N GLY A 75 14.907 -1.082 -0.998 1.00 0.00 N ATOM 1172 CA GLY A 75 16.166 -0.432 -1.310 1.00 0.00 C ATOM 1173 C GLY A 75 16.424 0.719 -0.361 1.00 0.00 C ATOM 1174 O GLY A 75 17.119 0.571 0.643 1.00 0.00 O ATOM 0 H GLY A 75 14.090 -0.586 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.980 -1.154 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.147 -0.066 -2.337 1.00 0.00 H new ATOM 1178 N GLU A 76 15.839 1.868 -0.661 1.00 0.00 N ATOM 1179 CA GLU A 76 15.879 3.077 0.149 1.00 0.00 C ATOM 1180 C GLU A 76 14.491 3.427 0.673 1.00 0.00 C ATOM 1181 O GLU A 76 13.523 2.734 0.348 1.00 0.00 O ATOM 1182 CB GLU A 76 16.469 4.202 -0.692 1.00 0.00 C ATOM 1183 CG GLU A 76 15.548 4.809 -1.753 1.00 0.00 C ATOM 1184 CD GLU A 76 16.215 5.999 -2.436 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.568 6.980 -1.743 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.390 5.946 -3.679 1.00 0.00 O ATOM 0 H GLU A 76 15.297 1.989 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 76 16.509 2.920 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.790 4.999 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.363 3.825 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.295 4.053 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.614 5.127 -1.290 1.00 0.00 H new ATOM 1193 N GLY A 77 14.382 4.519 1.432 1.00 0.00 N ATOM 1194 CA GLY A 77 13.119 5.017 1.940 1.00 0.00 C ATOM 1195 C GLY A 77 12.739 6.366 1.345 1.00 0.00 C ATOM 1196 O GLY A 77 13.586 7.099 0.829 1.00 0.00 O ATOM 0 H GLY A 77 15.184 5.084 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.333 4.294 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.178 5.106 3.025 1.00 0.00 H new ATOM 1200 N PHE A 78 11.453 6.704 1.464 1.00 0.00 N ATOM 1201 CA PHE A 78 10.872 7.980 1.037 1.00 0.00 C ATOM 1202 C PHE A 78 10.172 8.625 2.232 1.00 0.00 C ATOM 1203 O PHE A 78 9.747 7.902 3.130 1.00 0.00 O ATOM 1204 CB PHE A 78 9.862 7.781 -0.108 1.00 0.00 C ATOM 1205 CG PHE A 78 10.478 7.790 -1.491 1.00 0.00 C ATOM 1206 CD1 PHE A 78 10.648 8.995 -2.203 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.890 6.583 -2.070 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.237 8.986 -3.479 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.441 6.569 -3.360 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.632 7.771 -4.060 1.00 0.00 C ATOM 0 H PHE A 78 10.763 6.075 1.875 1.00 0.00 H new ATOM 0 HA PHE A 78 11.671 8.623 0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.345 6.833 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.109 8.567 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.324 9.928 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.783 5.659 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.386 9.913 -4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.719 5.630 -3.816 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.081 7.761 -5.042 1.00 0.00 H new ATOM 1220 N PRO A 79 10.007 9.959 2.249 1.00 0.00 N ATOM 1221 CA PRO A 79 9.442 10.710 3.372 1.00 0.00 C ATOM 1222 C PRO A 79 7.936 10.523 3.535 1.00 0.00 C ATOM 1223 O PRO A 79 7.351 11.029 4.491 1.00 0.00 O ATOM 1224 CB PRO A 79 9.749 12.185 3.066 1.00 0.00 C ATOM 1225 CG PRO A 79 9.841 12.213 1.551 1.00 0.00 C ATOM 1226 CD PRO A 79 10.470 10.869 1.217 1.00 0.00 C ATOM 0 HA PRO A 79 9.878 10.357 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.963 12.845 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.680 12.508 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.860 12.324 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.454 13.043 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.166 10.528 0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.558 10.935 1.211 1.00 0.00 H new ATOM 1234 N SER A 80 7.266 9.894 2.571 1.00 0.00 N ATOM 1235 CA SER A 80 5.829 9.681 2.562 1.00 0.00 C ATOM 1236 C SER A 80 5.603 8.256 2.078 1.00 0.00 C ATOM 1237 O SER A 80 6.410 7.730 1.308 1.00 0.00 O ATOM 1238 CB SER A 80 5.194 10.708 1.624 1.00 0.00 C ATOM 1239 OG SER A 80 5.699 12.019 1.854 1.00 0.00 O ATOM 0 H SER A 80 7.729 9.507 1.749 1.00 0.00 H new ATOM 0 HA SER A 80 5.377 9.807 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.384 10.422 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.113 10.706 1.762 1.00 0.00 H new ATOM 0 HG SER A 80 5.163 12.669 1.353 1.00 0.00 H new ATOM 1245 N ILE A 81 4.521 7.643 2.545 1.00 0.00 N ATOM 1246 CA ILE A 81 4.063 6.355 2.048 1.00 0.00 C ATOM 1247 C ILE A 81 3.698 6.519 0.569 1.00 0.00 C ATOM 1248 O ILE A 81 4.192 5.737 -0.242 1.00 0.00 O ATOM 1249 CB ILE A 81 2.928 5.782 2.943 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.527 5.423 4.325 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.238 4.552 2.317 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.514 5.203 5.449 1.00 0.00 C ATOM 0 H ILE A 81 3.934 8.030 3.284 1.00 0.00 H new ATOM 0 HA ILE A 81 4.850 5.603 2.106 1.00 0.00 H new ATOM 0 HB ILE A 81 2.155 6.544 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.125 4.518 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.207 6.221 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.455 4.195 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.799 4.830 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.973 3.761 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.041 4.957 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.930 6.112 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.847 4.383 5.183 1.00 0.00 H new ATOM 1264 N PRO A 82 2.890 7.525 0.167 1.00 0.00 N ATOM 1265 CA PRO A 82 2.383 7.592 -1.200 1.00 0.00 C ATOM 1266 C PRO A 82 3.490 7.777 -2.238 1.00 0.00 C ATOM 1267 O PRO A 82 3.362 7.316 -3.372 1.00 0.00 O ATOM 1268 CB PRO A 82 1.362 8.738 -1.221 1.00 0.00 C ATOM 1269 CG PRO A 82 1.686 9.563 0.015 1.00 0.00 C ATOM 1270 CD PRO A 82 2.236 8.540 0.981 1.00 0.00 C ATOM 0 HA PRO A 82 1.916 6.648 -1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.453 9.333 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.340 8.359 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.415 10.344 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.799 10.056 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.942 8.998 1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.438 8.103 1.582 1.00 0.00 H new ATOM 1278 N LEU A 83 4.598 8.392 -1.822 1.00 0.00 N ATOM 1279 CA LEU A 83 5.774 8.604 -2.644 1.00 0.00 C ATOM 1280 C LEU A 83 6.439 7.271 -2.965 1.00 0.00 C ATOM 1281 O LEU A 83 6.899 7.059 -4.086 1.00 0.00 O ATOM 1282 CB LEU A 83 6.745 9.562 -1.926 1.00 0.00 C ATOM 1283 CG LEU A 83 6.483 11.044 -2.263 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.180 11.624 -1.710 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.647 11.891 -1.742 1.00 0.00 C ATOM 0 H LEU A 83 4.697 8.764 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 83 5.481 9.063 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.659 9.419 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.769 9.307 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 83 6.391 11.078 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.094 12.670 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.334 11.064 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.182 11.552 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.468 12.940 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.730 11.770 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.574 11.566 -2.215 1.00 0.00 H new ATOM 1297 N LEU A 84 6.522 6.376 -1.980 1.00 0.00 N ATOM 1298 CA LEU A 84 7.191 5.092 -2.155 1.00 0.00 C ATOM 1299 C LEU A 84 6.342 4.146 -2.997 1.00 0.00 C ATOM 1300 O LEU A 84 6.877 3.315 -3.730 1.00 0.00 O ATOM 1301 CB LEU A 84 7.442 4.470 -0.776 1.00 0.00 C ATOM 1302 CG LEU A 84 8.703 3.590 -0.657 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.519 2.630 0.513 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.083 2.720 -1.856 1.00 0.00 C ATOM 0 H LEU A 84 6.131 6.521 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 84 8.136 5.254 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.512 5.274 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.575 3.868 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 84 9.505 4.320 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.404 2.001 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.376 3.199 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.645 2.003 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.989 2.159 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.271 2.026 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.260 3.355 -2.724 1.00 0.00 H new ATOM 1316 N ILE A 85 5.016 4.264 -2.914 1.00 0.00 N ATOM 1317 CA ILE A 85 4.117 3.459 -3.732 1.00 0.00 C ATOM 1318 C ILE A 85 4.538 3.562 -5.192 1.00 0.00 C ATOM 1319 O ILE A 85 4.662 2.523 -5.829 1.00 0.00 O ATOM 1320 CB ILE A 85 2.632 3.840 -3.523 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.162 3.608 -2.072 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.714 3.086 -4.503 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.204 2.148 -1.625 1.00 0.00 C ATOM 0 H ILE A 85 4.543 4.913 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 85 4.197 2.419 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 85 2.561 4.908 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.785 4.199 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.142 3.978 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.678 3.377 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.993 3.334 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.820 2.012 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.858 2.073 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.558 1.552 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.226 1.776 -1.693 1.00 0.00 H new ATOM 1335 N ASP A 86 4.785 4.763 -5.722 1.00 0.00 N ATOM 1336 CA ASP A 86 4.988 4.891 -7.167 1.00 0.00 C ATOM 1337 C ASP A 86 6.268 4.196 -7.601 1.00 0.00 C ATOM 1338 O ASP A 86 6.322 3.578 -8.660 1.00 0.00 O ATOM 1339 CB ASP A 86 5.069 6.349 -7.608 1.00 0.00 C ATOM 1340 CG ASP A 86 4.972 6.424 -9.126 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.852 6.199 -9.637 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.988 6.765 -9.777 1.00 0.00 O ATOM 0 H ASP A 86 4.848 5.633 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 86 4.124 4.422 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.263 6.924 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.006 6.791 -7.270 1.00 0.00 H new ATOM 1347 N HIS A 87 7.312 4.290 -6.779 1.00 0.00 N ATOM 1348 CA HIS A 87 8.591 3.681 -7.091 1.00 0.00 C ATOM 1349 C HIS A 87 8.510 2.165 -6.963 1.00 0.00 C ATOM 1350 O HIS A 87 9.390 1.494 -7.475 1.00 0.00 O ATOM 1351 CB HIS A 87 9.699 4.261 -6.208 1.00 0.00 C ATOM 1352 CG HIS A 87 11.103 3.814 -6.543 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.078 4.592 -7.125 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.672 2.606 -6.237 1.00 0.00 C ATOM 1355 CE1 HIS A 87 13.207 3.866 -7.181 1.00 0.00 C ATOM 1356 NE2 HIS A 87 13.003 2.639 -6.664 1.00 0.00 N ATOM 0 H HIS A 87 7.290 4.787 -5.888 1.00 0.00 H new ATOM 0 HA HIS A 87 8.841 3.913 -8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.658 5.348 -6.272 1.00 0.00 H new ATOM 0 HB3 HIS A 87 9.490 3.995 -5.172 1.00 0.00 H new ATOM 0 HD1 HIS A 87 11.964 5.550 -7.455 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.180 1.776 -5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.146 4.217 -7.584 1.00 0.00 H new ATOM 1364 N LEU A 88 7.494 1.571 -6.342 1.00 0.00 N ATOM 1365 CA LEU A 88 7.309 0.134 -6.402 1.00 0.00 C ATOM 1366 C LEU A 88 6.376 -0.221 -7.537 1.00 0.00 C ATOM 1367 O LEU A 88 6.619 -1.202 -8.233 1.00 0.00 O ATOM 1368 CB LEU A 88 6.740 -0.321 -5.072 1.00 0.00 C ATOM 1369 CG LEU A 88 7.777 -0.394 -3.941 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.605 -1.754 -3.289 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.268 -0.188 -4.243 1.00 0.00 C ATOM 0 H LEU A 88 6.791 2.066 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 88 8.259 -0.367 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.943 0.362 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.287 -1.304 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 88 7.554 0.478 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.321 -1.860 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.592 -1.844 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.778 -2.536 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.842 -0.276 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.603 -0.944 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.419 0.803 -4.671 1.00 0.00 H new ATOM 1383 N LEU A 89 5.311 0.552 -7.718 1.00 0.00 N ATOM 1384 CA LEU A 89 4.251 0.270 -8.675 1.00 0.00 C ATOM 1385 C LEU A 89 4.801 0.380 -10.087 1.00 0.00 C ATOM 1386 O LEU A 89 4.562 -0.470 -10.934 1.00 0.00 O ATOM 1387 CB LEU A 89 3.098 1.252 -8.415 1.00 0.00 C ATOM 1388 CG LEU A 89 1.726 0.654 -8.738 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.675 1.362 -7.893 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.318 0.732 -10.195 1.00 0.00 C ATOM 0 H LEU A 89 5.159 1.412 -7.191 1.00 0.00 H new ATOM 0 HA LEU A 89 3.870 -0.745 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.118 1.560 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.249 2.149 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 89 1.800 -0.409 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.309 0.946 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.902 1.220 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.679 2.427 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.333 0.283 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.284 1.776 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.043 0.194 -10.805 1.00 0.00 H new ATOM 1402 N SER A 90 5.572 1.429 -10.337 1.00 0.00 N ATOM 1403 CA SER A 90 6.044 1.777 -11.658 1.00 0.00 C ATOM 1404 C SER A 90 7.263 0.918 -12.036 1.00 0.00 C ATOM 1405 O SER A 90 7.639 0.874 -13.207 1.00 0.00 O ATOM 1406 CB SER A 90 6.371 3.278 -11.632 1.00 0.00 C ATOM 1407 OG SER A 90 6.546 3.869 -12.901 1.00 0.00 O ATOM 0 H SER A 90 5.889 2.070 -9.610 1.00 0.00 H new ATOM 0 HA SER A 90 5.290 1.579 -12.420 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.569 3.801 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.280 3.427 -11.049 1.00 0.00 H new ATOM 0 HG SER A 90 6.749 4.822 -12.793 1.00 0.00 H new ATOM 1413 N THR A 91 7.896 0.251 -11.061 1.00 0.00 N ATOM 1414 CA THR A 91 9.125 -0.523 -11.245 1.00 0.00 C ATOM 1415 C THR A 91 8.840 -2.024 -11.135 1.00 0.00 C ATOM 1416 O THR A 91 9.586 -2.824 -11.698 1.00 0.00 O ATOM 1417 CB THR A 91 10.182 -0.082 -10.218 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.789 -0.522 -8.941 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.386 1.441 -10.183 1.00 0.00 C ATOM 0 H THR A 91 7.556 0.236 -10.099 1.00 0.00 H new ATOM 0 HA THR A 91 9.516 -0.333 -12.245 1.00 0.00 H new ATOM 0 HB THR A 91 11.131 -0.527 -10.517 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.362 0.216 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.143 1.690 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.713 1.787 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.447 1.928 -9.921 1.00 0.00 H new ATOM 1427 N GLN A 92 7.717 -2.386 -10.495 1.00 0.00 N ATOM 1428 CA GLN A 92 7.276 -3.774 -10.270 1.00 0.00 C ATOM 1429 C GLN A 92 8.225 -4.492 -9.304 1.00 0.00 C ATOM 1430 O GLN A 92 8.422 -5.711 -9.359 1.00 0.00 O ATOM 1431 CB GLN A 92 7.050 -4.545 -11.597 1.00 0.00 C ATOM 1432 CG GLN A 92 5.979 -3.926 -12.509 1.00 0.00 C ATOM 1433 CD GLN A 92 4.606 -4.134 -11.886 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.970 -5.160 -12.109 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.168 -3.206 -11.061 1.00 0.00 N ATOM 0 H GLN A 92 7.070 -1.700 -10.107 1.00 0.00 H new ATOM 0 HA GLN A 92 6.297 -3.744 -9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.993 -4.592 -12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.765 -5.571 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.172 -2.862 -12.645 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.016 -4.386 -13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.722 -2.365 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.275 -3.328 -10.584 1.00 0.00 H new ATOM 1444 N GLN A 93 8.847 -3.712 -8.422 1.00 0.00 N ATOM 1445 CA GLN A 93 9.818 -4.228 -7.471 1.00 0.00 C ATOM 1446 C GLN A 93 9.130 -5.116 -6.418 1.00 0.00 C ATOM 1447 O GLN A 93 8.020 -4.795 -5.984 1.00 0.00 O ATOM 1448 CB GLN A 93 10.582 -3.078 -6.809 1.00 0.00 C ATOM 1449 CG GLN A 93 11.958 -2.898 -7.454 1.00 0.00 C ATOM 1450 CD GLN A 93 12.727 -1.714 -6.896 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.778 -1.851 -6.267 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.226 -0.524 -7.177 1.00 0.00 N ATOM 0 H GLN A 93 8.689 -2.707 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 93 10.536 -4.845 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.009 -2.155 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.698 -3.278 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.543 -3.806 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.835 -2.769 -8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.353 -0.449 -7.700 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.712 0.319 -6.871 1.00 0.00 H new ATOM 1461 N PRO A 94 9.777 -6.213 -5.994 1.00 0.00 N ATOM 1462 CA PRO A 94 9.216 -7.196 -5.084 1.00 0.00 C ATOM 1463 C PRO A 94 9.212 -6.709 -3.632 1.00 0.00 C ATOM 1464 O PRO A 94 10.212 -6.209 -3.112 1.00 0.00 O ATOM 1465 CB PRO A 94 10.105 -8.433 -5.222 1.00 0.00 C ATOM 1466 CG PRO A 94 11.459 -7.821 -5.588 1.00 0.00 C ATOM 1467 CD PRO A 94 11.075 -6.640 -6.466 1.00 0.00 C ATOM 0 HA PRO A 94 8.174 -7.397 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.154 -9.004 -4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.742 -9.110 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.011 -7.503 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.092 -8.531 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.806 -5.836 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.035 -6.929 -7.516 1.00 0.00 H new ATOM 1475 N LEU A 95 8.112 -6.943 -2.927 1.00 0.00 N ATOM 1476 CA LEU A 95 7.906 -6.458 -1.560 1.00 0.00 C ATOM 1477 C LEU A 95 8.822 -7.154 -0.557 1.00 0.00 C ATOM 1478 O LEU A 95 9.219 -6.557 0.440 1.00 0.00 O ATOM 1479 CB LEU A 95 6.443 -6.628 -1.129 1.00 0.00 C ATOM 1480 CG LEU A 95 5.413 -5.906 -2.016 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.086 -5.893 -1.264 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.756 -4.480 -2.445 1.00 0.00 C ATOM 0 H LEU A 95 7.325 -7.482 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 95 8.157 -5.397 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.206 -7.692 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.337 -6.265 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 95 5.385 -6.466 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.331 -5.387 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.768 -6.917 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.209 -5.365 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.952 -4.083 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.876 -3.853 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.685 -4.485 -3.015 1.00 0.00 H new ATOM 1494 N THR A 96 9.173 -8.415 -0.794 1.00 0.00 N ATOM 1495 CA THR A 96 10.193 -9.099 -0.019 1.00 0.00 C ATOM 1496 C THR A 96 10.655 -10.316 -0.819 1.00 0.00 C ATOM 1497 O THR A 96 9.857 -10.939 -1.528 1.00 0.00 O ATOM 1498 CB THR A 96 9.657 -9.428 1.398 1.00 0.00 C ATOM 1499 OG1 THR A 96 10.561 -10.244 2.121 1.00 0.00 O ATOM 1500 CG2 THR A 96 8.291 -10.118 1.441 1.00 0.00 C ATOM 0 H THR A 96 8.756 -8.987 -1.529 1.00 0.00 H new ATOM 0 HA THR A 96 11.067 -8.469 0.149 1.00 0.00 H new ATOM 0 HB THR A 96 9.546 -8.443 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.194 -10.431 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.009 -10.303 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.545 -9.477 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.345 -11.066 0.905 1.00 0.00 H new ATOM 1508 N LYS A 97 11.923 -10.700 -0.636 1.00 0.00 N ATOM 1509 CA LYS A 97 12.541 -11.925 -1.144 1.00 0.00 C ATOM 1510 C LYS A 97 11.806 -13.184 -0.696 1.00 0.00 C ATOM 1511 O LYS A 97 12.117 -14.256 -1.201 1.00 0.00 O ATOM 1512 CB LYS A 97 14.009 -11.996 -0.668 1.00 0.00 C ATOM 1513 CG LYS A 97 14.926 -10.950 -1.317 1.00 0.00 C ATOM 1514 CD LYS A 97 15.489 -11.418 -2.666 1.00 0.00 C ATOM 1515 CE LYS A 97 16.112 -10.252 -3.445 1.00 0.00 C ATOM 1516 NZ LYS A 97 17.316 -9.684 -2.799 1.00 0.00 N ATOM 0 H LYS A 97 12.579 -10.132 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 97 12.488 -11.886 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.036 -11.867 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.402 -12.990 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.370 -10.023 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.751 -10.725 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.240 -12.190 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.693 -11.869 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.374 -10.594 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.367 -9.465 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.684 -8.902 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.068 -9.328 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.043 -10.422 -2.711 1.00 0.00 H new ATOM 1530 N LYS A 98 10.883 -13.110 0.270 1.00 0.00 N ATOM 1531 CA LYS A 98 10.123 -14.273 0.719 1.00 0.00 C ATOM 1532 C LYS A 98 8.912 -14.586 -0.150 1.00 0.00 C ATOM 1533 O LYS A 98 8.436 -15.720 -0.067 1.00 0.00 O ATOM 1534 CB LYS A 98 9.689 -14.076 2.184 1.00 0.00 C ATOM 1535 CG LYS A 98 10.856 -14.377 3.131 1.00 0.00 C ATOM 1536 CD LYS A 98 11.161 -15.886 3.185 1.00 0.00 C ATOM 1537 CE LYS A 98 12.650 -16.194 3.022 1.00 0.00 C ATOM 1538 NZ LYS A 98 13.344 -16.194 4.323 1.00 0.00 N ATOM 0 H LYS A 98 10.646 -12.246 0.757 1.00 0.00 H new ATOM 0 HA LYS A 98 10.788 -15.132 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.345 -13.053 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.848 -14.731 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.743 -13.837 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.617 -14.016 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.813 -16.289 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.601 -16.394 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.772 -17.165 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.106 -15.454 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.352 -16.406 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.247 -15.259 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.923 -16.917 4.941 1.00 0.00 H new ATOM 1552 N SER A 99 8.396 -13.629 -0.928 1.00 0.00 N ATOM 1553 CA SER A 99 7.119 -13.797 -1.619 1.00 0.00 C ATOM 1554 C SER A 99 7.082 -13.185 -3.023 1.00 0.00 C ATOM 1555 O SER A 99 6.330 -13.675 -3.866 1.00 0.00 O ATOM 1556 CB SER A 99 6.001 -13.257 -0.718 1.00 0.00 C ATOM 1557 OG SER A 99 6.316 -11.959 -0.247 1.00 0.00 O ATOM 0 H SER A 99 8.846 -12.729 -1.094 1.00 0.00 H new ATOM 0 HA SER A 99 6.971 -14.862 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.063 -13.230 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.853 -13.929 0.127 1.00 0.00 H new ATOM 0 HG SER A 99 5.569 -11.614 0.286 1.00 0.00 H new ATOM 1563 N GLY A 100 7.875 -12.149 -3.312 1.00 0.00 N ATOM 1564 CA GLY A 100 7.944 -11.558 -4.646 1.00 0.00 C ATOM 1565 C GLY A 100 6.657 -10.849 -5.073 1.00 0.00 C ATOM 1566 O GLY A 100 6.448 -10.648 -6.268 1.00 0.00 O ATOM 0 H GLY A 100 8.484 -11.700 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.768 -10.845 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.174 -12.341 -5.369 1.00 0.00 H new ATOM 1570 N VAL A 101 5.811 -10.452 -4.117 1.00 0.00 N ATOM 1571 CA VAL A 101 4.653 -9.596 -4.358 1.00 0.00 C ATOM 1572 C VAL A 101 5.104 -8.332 -5.076 1.00 0.00 C ATOM 1573 O VAL A 101 6.146 -7.807 -4.703 1.00 0.00 O ATOM 1574 CB VAL A 101 3.991 -9.243 -3.017 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.703 -8.437 -3.192 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.720 -10.471 -2.149 1.00 0.00 C ATOM 0 H VAL A 101 5.916 -10.723 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 101 3.927 -10.118 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 101 4.718 -8.617 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.277 -8.215 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.925 -7.505 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.988 -9.016 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.252 -10.160 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.054 -11.152 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.660 -10.978 -1.932 1.00 0.00 H new ATOM 1586 N VAL A 102 4.319 -7.791 -6.002 1.00 0.00 N ATOM 1587 CA VAL A 102 4.515 -6.450 -6.544 1.00 0.00 C ATOM 1588 C VAL A 102 3.219 -5.650 -6.337 1.00 0.00 C ATOM 1589 O VAL A 102 2.158 -6.222 -6.069 1.00 0.00 O ATOM 1590 CB VAL A 102 5.012 -6.512 -8.012 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.071 -7.601 -8.239 1.00 0.00 C ATOM 1592 CG2 VAL A 102 3.886 -6.582 -9.049 1.00 0.00 C ATOM 0 H VAL A 102 3.518 -8.278 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 102 5.307 -5.922 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 102 5.503 -5.553 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.380 -7.596 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.935 -7.406 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.650 -8.575 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.315 -6.623 -10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.286 -7.475 -8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.255 -5.698 -8.961 1.00 0.00 H new ATOM 1602 N LEU A 103 3.300 -4.326 -6.429 1.00 0.00 N ATOM 1603 CA LEU A 103 2.162 -3.417 -6.422 1.00 0.00 C ATOM 1604 C LEU A 103 1.704 -3.254 -7.860 1.00 0.00 C ATOM 1605 O LEU A 103 2.544 -3.103 -8.746 1.00 0.00 O ATOM 1606 CB LEU A 103 2.574 -2.042 -5.876 1.00 0.00 C ATOM 1607 CG LEU A 103 3.267 -2.043 -4.507 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.385 -0.592 -4.033 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.521 -2.893 -3.469 1.00 0.00 C ATOM 0 H LEU A 103 4.193 -3.841 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 103 1.370 -3.818 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.241 -1.571 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.683 -1.417 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 103 4.253 -2.495 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.875 -0.566 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.974 -0.021 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.390 -0.154 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.055 -2.858 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.513 -2.500 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.465 -3.925 -3.816 1.00 0.00 H new ATOM 1621 N HIS A 104 0.393 -3.232 -8.099 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.125 -3.212 -9.462 1.00 0.00 C ATOM 1623 C HIS A 104 -1.411 -2.402 -9.558 1.00 0.00 C ATOM 1624 O HIS A 104 -1.532 -1.519 -10.409 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.362 -4.660 -9.910 1.00 0.00 C ATOM 1626 CG HIS A 104 0.166 -5.010 -11.266 1.00 0.00 C ATOM 1627 ND1 HIS A 104 0.291 -4.159 -12.333 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.544 -6.259 -11.676 1.00 0.00 C ATOM 1629 CE1 HIS A 104 0.730 -4.879 -13.367 1.00 0.00 C ATOM 1630 NE2 HIS A 104 0.862 -6.175 -13.034 1.00 0.00 N ATOM 0 H HIS A 104 -0.322 -3.228 -7.372 1.00 0.00 H new ATOM 0 HA HIS A 104 0.602 -2.731 -10.117 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.094 -5.327 -9.179 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.434 -4.856 -9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.588 -7.147 -11.063 1.00 0.00 H new ATOM 0 HE1 HIS A 104 0.950 -4.474 -14.344 1.00 0.00 H new ATOM 0 HE2 HIS A 104 1.138 -6.941 -13.648 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.388 -2.695 -8.697 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.702 -2.070 -8.758 1.00 0.00 C ATOM 1640 C ARG A 105 -4.073 -1.496 -7.404 1.00 0.00 C ATOM 1641 O ARG A 105 -3.798 -2.102 -6.382 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.756 -3.051 -9.289 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.994 -2.311 -9.816 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.716 -1.708 -11.201 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.710 -0.693 -11.569 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.766 -0.045 -12.734 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.827 -0.228 -13.656 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.779 0.781 -12.972 1.00 0.00 N ATOM 0 H ARG A 105 -2.286 -3.372 -7.941 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.667 -1.241 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.324 -3.655 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.051 -3.736 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.837 -2.999 -9.876 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.276 -1.521 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.722 -1.261 -11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.715 -2.502 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.420 -0.463 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.054 -0.869 -13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.879 0.272 -14.543 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.504 0.915 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.831 1.281 -13.859 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.671 -0.316 -7.387 1.00 0.00 N ATOM 1663 CA ALA A 106 -5.031 0.383 -6.168 1.00 0.00 C ATOM 1664 C ALA A 106 -6.544 0.253 -5.975 1.00 0.00 C ATOM 1665 O ALA A 106 -7.295 0.437 -6.934 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.553 1.831 -6.327 1.00 0.00 C ATOM 0 H ALA A 106 -4.924 0.190 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.563 -0.030 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.803 2.397 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.473 1.844 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.042 2.283 -7.190 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.014 -0.047 -4.764 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.443 -0.092 -4.440 1.00 0.00 C ATOM 1674 C VAL A 107 -8.888 1.312 -4.055 1.00 0.00 C ATOM 1675 O VAL A 107 -8.529 1.788 -2.984 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.710 -1.031 -3.253 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.209 -1.143 -2.948 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.183 -2.447 -3.452 1.00 0.00 C ATOM 0 H VAL A 107 -6.410 -0.268 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.991 -0.461 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.171 -0.571 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.359 -1.815 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.605 -0.158 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.730 -1.536 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.411 -3.047 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.657 -2.892 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.104 -2.416 -3.601 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.641 2.033 -4.888 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.151 3.322 -4.477 1.00 0.00 C ATOM 1690 C PRO A 108 -11.194 3.145 -3.369 1.00 0.00 C ATOM 1691 O PRO A 108 -12.104 2.321 -3.474 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.722 3.945 -5.741 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.198 2.718 -6.529 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.159 1.658 -6.191 1.00 0.00 C ATOM 0 HA PRO A 108 -9.386 3.971 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.541 4.630 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.970 4.513 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.199 2.410 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.235 2.918 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.605 0.664 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.365 1.633 -6.938 1.00 0.00 H new ATOM 1702 N SER A 109 -11.068 3.979 -2.343 1.00 0.00 N ATOM 1703 CA SER A 109 -12.132 4.314 -1.400 1.00 0.00 C ATOM 1704 C SER A 109 -12.667 5.690 -1.810 1.00 0.00 C ATOM 1705 O SER A 109 -13.875 5.903 -1.892 1.00 0.00 O ATOM 1706 CB SER A 109 -11.573 4.289 0.038 1.00 0.00 C ATOM 1707 OG SER A 109 -12.535 4.642 1.010 1.00 0.00 O ATOM 0 H SER A 109 -10.192 4.458 -2.136 1.00 0.00 H new ATOM 0 HA SER A 109 -12.950 3.594 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.193 3.291 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.728 4.974 0.105 1.00 0.00 H new ATOM 0 HG SER A 109 -12.128 4.608 1.901 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.753 6.595 -2.166 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.020 8.000 -2.388 1.00 0.00 C ATOM 1715 C GLY A 110 -11.334 8.834 -1.301 1.00 0.00 C ATOM 1716 O GLY A 110 -10.741 8.278 -0.376 1.00 0.00 O ATOM 0 H GLY A 110 -10.773 6.351 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.657 8.298 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.095 8.182 -2.376 1.00 0.00 H new