USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 865 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 79 ASN : amide:sc= -0.872! C(o=-11!,f=-33!) USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -9.84! C(o=-21!,f=-11!) USER MOD Set 2.1: A 67 CYS SG : rot -19:sc= -0.166! USER MOD Set 2.2: A 78 GLN : amide:sc= -0.992 X(o=-1.2,f=-0.75) USER MOD Set 3.1: A 74 SER OG : rot 153:sc= -3.7! USER MOD Set 3.2: A 130 SER OG : rot 180:sc= 0.138! USER MOD Set 3.3: A 135 LYS NZ :NH3+ -106:sc= -9.06! (180deg=-11.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -155:sc= -0.961 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.448! F(o=-1,f=-0.45!) USER MOD Single : A 69 THR OG1 : rot 22:sc= -1.62 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.153 (180deg=-0.854) USER MOD Single : A 73 GLN :FLIP amide:sc= -2.01! C(o=-2.8!,f=-2!) USER MOD Single : A 80 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.045) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= 0.401 (180deg=-0.0181) USER MOD Single : A 91 ASN :FLIP amide:sc= -2.86! C(o=-4.3!,f=-2.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0978 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-9!) USER MOD Single : A 95 ASN : amide:sc=-0.00408 K(o=-0.0041,f=-1.4) USER MOD Single : A 96 ASN :FLIP amide:sc= -2.95 F(o=-5.4!,f=-3) USER MOD Single : A 97 MET CE :methyl -164:sc= -1.54 (180deg=-2.18) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 105 ASN :FLIP amide:sc= 0.999 F(o=-0.39,f=1) USER MOD Single : A 106 MET CE :methyl 172:sc=-0.00679 (180deg=-0.0252) USER MOD Single : A 107 TYR OH : rot -124:sc= 0.528 USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.762 F(o=-1.6!,f=-0.76) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -53:sc= 0.446 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 131 HIS : no HD1:sc= -4.35 K(o=-4.4,f=-7!) USER MOD Single : A 137 ASN : amide:sc= -1.33! C(o=-1.3!,f=-7.2!) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN :FLIP amide:sc= -3.4! C(o=-5.1!,f=-3.4!) USER MOD Single : A 146 LYS NZ :NH3+ 160:sc= -0.0155 (180deg=-0.567) USER MOD Single : A 148 LYS NZ :NH3+ -154:sc= -1.92 (180deg=-3.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 18.930 0.551 -4.950 1.00 0.00 N ATOM 2 CA GLY A 43 18.579 0.773 -3.519 1.00 0.00 C ATOM 3 C GLY A 43 19.832 0.622 -2.655 1.00 0.00 C ATOM 4 O GLY A 43 20.340 1.581 -2.109 1.00 0.00 O ATOM 0 HA2 GLY A 43 18.153 1.768 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.820 0.057 -3.205 1.00 0.00 H new ATOM 8 N SER A 44 20.334 -0.575 -2.527 1.00 0.00 N ATOM 9 CA SER A 44 21.555 -0.786 -1.697 1.00 0.00 C ATOM 10 C SER A 44 21.320 -0.227 -0.292 1.00 0.00 C ATOM 11 O SER A 44 22.237 -0.093 0.494 1.00 0.00 O ATOM 12 CB SER A 44 22.740 -0.067 -2.343 1.00 0.00 C ATOM 13 OG SER A 44 22.786 -0.387 -3.727 1.00 0.00 O ATOM 0 H SER A 44 19.953 -1.416 -2.960 1.00 0.00 H new ATOM 0 HA SER A 44 21.770 -1.852 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 44 22.643 1.010 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 44 23.669 -0.365 -1.858 1.00 0.00 H new ATOM 0 HG SER A 44 23.544 0.074 -4.144 1.00 0.00 H new ATOM 19 N GLY A 45 20.098 0.101 0.029 1.00 0.00 N ATOM 20 CA GLY A 45 19.805 0.652 1.383 1.00 0.00 C ATOM 21 C GLY A 45 18.315 0.481 1.689 1.00 0.00 C ATOM 22 O GLY A 45 17.756 1.182 2.509 1.00 0.00 O ATOM 0 H GLY A 45 19.290 0.011 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.403 0.137 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.078 1.706 1.426 1.00 0.00 H new ATOM 26 N VAL A 46 17.671 -0.450 1.030 1.00 0.00 N ATOM 27 CA VAL A 46 16.211 -0.691 1.260 1.00 0.00 C ATOM 28 C VAL A 46 16.029 -2.072 1.929 1.00 0.00 C ATOM 29 O VAL A 46 16.062 -3.071 1.240 1.00 0.00 O ATOM 30 CB VAL A 46 15.500 -0.702 -0.096 1.00 0.00 C ATOM 31 CG1 VAL A 46 13.989 -0.834 0.119 1.00 0.00 C ATOM 32 CG2 VAL A 46 15.797 0.606 -0.835 1.00 0.00 C ATOM 0 H VAL A 46 18.099 -1.061 0.334 1.00 0.00 H new ATOM 0 HA VAL A 46 15.797 0.089 1.899 1.00 0.00 H new ATOM 0 HB VAL A 46 15.857 -1.545 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.483 -0.842 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.776 -1.763 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.630 0.009 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.292 0.601 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.439 1.448 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.872 0.701 -0.988 1.00 0.00 H new ATOM 42 N PRO A 47 15.861 -2.117 3.243 1.00 0.00 N ATOM 43 CA PRO A 47 15.703 -3.407 3.947 1.00 0.00 C ATOM 44 C PRO A 47 14.392 -4.096 3.520 1.00 0.00 C ATOM 45 O PRO A 47 13.444 -4.182 4.275 1.00 0.00 O ATOM 46 CB PRO A 47 15.706 -3.042 5.455 1.00 0.00 C ATOM 47 CG PRO A 47 15.761 -1.489 5.559 1.00 0.00 C ATOM 48 CD PRO A 47 15.820 -0.927 4.121 1.00 0.00 C ATOM 0 HA PRO A 47 16.498 -4.115 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.812 -3.428 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.563 -3.491 5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.884 -1.109 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.635 -1.174 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.950 -0.307 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.701 -0.301 3.978 1.00 0.00 H new ATOM 56 N ALA A 48 14.346 -4.597 2.311 1.00 0.00 N ATOM 57 CA ALA A 48 13.119 -5.296 1.816 1.00 0.00 C ATOM 58 C ALA A 48 11.857 -4.553 2.270 1.00 0.00 C ATOM 59 O ALA A 48 11.885 -3.373 2.553 1.00 0.00 O ATOM 60 CB ALA A 48 13.092 -6.723 2.368 1.00 0.00 C ATOM 0 H ALA A 48 15.112 -4.551 1.640 1.00 0.00 H new ATOM 0 HA ALA A 48 13.142 -5.317 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.199 -7.235 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.979 -7.260 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.079 -6.691 3.457 1.00 0.00 H new ATOM 66 N PHE A 49 10.752 -5.246 2.345 1.00 0.00 N ATOM 67 CA PHE A 49 9.481 -4.599 2.782 1.00 0.00 C ATOM 68 C PHE A 49 9.134 -3.453 1.822 1.00 0.00 C ATOM 69 O PHE A 49 8.279 -3.587 0.970 1.00 0.00 O ATOM 70 CB PHE A 49 9.646 -4.066 4.218 1.00 0.00 C ATOM 71 CG PHE A 49 8.295 -3.986 4.907 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.316 -3.087 4.439 1.00 0.00 C ATOM 73 CD2 PHE A 49 8.018 -4.810 6.017 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.064 -3.013 5.079 1.00 0.00 C ATOM 75 CE2 PHE A 49 6.765 -4.734 6.656 1.00 0.00 C ATOM 76 CZ PHE A 49 5.788 -3.836 6.188 1.00 0.00 C ATOM 0 H PHE A 49 10.675 -6.238 2.121 1.00 0.00 H new ATOM 0 HA PHE A 49 8.670 -5.328 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.312 -4.720 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.110 -3.080 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.526 -2.455 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.767 -5.500 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.314 -2.324 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.554 -5.366 7.506 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.828 -3.778 6.679 1.00 0.00 H new ATOM 86 N LEU A 50 9.787 -2.331 1.952 1.00 0.00 N ATOM 87 CA LEU A 50 9.487 -1.186 1.046 1.00 0.00 C ATOM 88 C LEU A 50 9.807 -1.587 -0.396 1.00 0.00 C ATOM 89 O LEU A 50 9.009 -1.402 -1.293 1.00 0.00 O ATOM 90 CB LEU A 50 10.342 0.025 1.439 1.00 0.00 C ATOM 91 CG LEU A 50 10.280 0.251 2.955 1.00 0.00 C ATOM 92 CD1 LEU A 50 11.239 1.380 3.340 1.00 0.00 C ATOM 93 CD2 LEU A 50 8.854 0.636 3.361 1.00 0.00 C ATOM 0 H LEU A 50 10.515 -2.157 2.646 1.00 0.00 H new ATOM 0 HA LEU A 50 8.432 -0.924 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.375 -0.135 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.987 0.914 0.917 1.00 0.00 H new ATOM 0 HG LEU A 50 10.568 -0.666 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.196 1.542 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.255 1.108 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.950 2.295 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.813 0.796 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.564 1.552 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.169 -0.166 3.087 1.00 0.00 H new ATOM 105 N ALA A 51 10.968 -2.138 -0.624 1.00 0.00 N ATOM 106 CA ALA A 51 11.337 -2.553 -2.008 1.00 0.00 C ATOM 107 C ALA A 51 10.231 -3.442 -2.581 1.00 0.00 C ATOM 108 O ALA A 51 9.930 -3.396 -3.757 1.00 0.00 O ATOM 109 CB ALA A 51 12.654 -3.334 -1.976 1.00 0.00 C ATOM 0 H ALA A 51 11.677 -2.319 0.087 1.00 0.00 H new ATOM 0 HA ALA A 51 11.457 -1.668 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.922 -3.637 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.442 -2.702 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.537 -4.220 -1.352 1.00 0.00 H new ATOM 115 N LYS A 52 9.624 -4.252 -1.760 1.00 0.00 N ATOM 116 CA LYS A 52 8.540 -5.142 -2.261 1.00 0.00 C ATOM 117 C LYS A 52 7.401 -4.286 -2.816 1.00 0.00 C ATOM 118 O LYS A 52 6.932 -4.499 -3.915 1.00 0.00 O ATOM 119 CB LYS A 52 8.009 -6.012 -1.114 1.00 0.00 C ATOM 120 CG LYS A 52 9.161 -6.792 -0.460 1.00 0.00 C ATOM 121 CD LYS A 52 9.520 -8.019 -1.309 1.00 0.00 C ATOM 122 CE LYS A 52 10.526 -8.883 -0.549 1.00 0.00 C ATOM 123 NZ LYS A 52 11.077 -9.925 -1.462 1.00 0.00 N ATOM 0 H LYS A 52 9.831 -4.336 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 52 8.936 -5.785 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.517 -5.385 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.259 -6.707 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.033 -6.146 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.873 -7.106 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.623 -8.596 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.942 -7.704 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.333 -8.262 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.043 -9.353 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.762 -10.513 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.302 -10.523 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.552 -9.466 -2.266 1.00 0.00 H new ATOM 137 N LEU A 53 6.951 -3.319 -2.066 1.00 0.00 N ATOM 138 CA LEU A 53 5.841 -2.452 -2.555 1.00 0.00 C ATOM 139 C LEU A 53 6.229 -1.827 -3.898 1.00 0.00 C ATOM 140 O LEU A 53 5.384 -1.407 -4.662 1.00 0.00 O ATOM 141 CB LEU A 53 5.568 -1.339 -1.537 1.00 0.00 C ATOM 142 CG LEU A 53 5.509 -1.926 -0.124 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.119 -0.826 0.865 1.00 0.00 C ATOM 144 CD2 LEU A 53 4.468 -3.050 -0.073 1.00 0.00 C ATOM 0 H LEU A 53 7.303 -3.091 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 53 4.943 -3.057 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.351 -0.583 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.627 -0.842 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 53 6.486 -2.329 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.076 -1.241 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.861 -0.028 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.142 -0.425 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.429 -3.465 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.489 -2.652 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.744 -3.834 -0.778 1.00 0.00 H new ATOM 156 N TRP A 54 7.500 -1.757 -4.193 1.00 0.00 N ATOM 157 CA TRP A 54 7.933 -1.153 -5.489 1.00 0.00 C ATOM 158 C TRP A 54 7.895 -2.220 -6.589 1.00 0.00 C ATOM 159 O TRP A 54 7.528 -1.947 -7.715 1.00 0.00 O ATOM 160 CB TRP A 54 9.358 -0.605 -5.344 1.00 0.00 C ATOM 161 CG TRP A 54 9.865 -0.130 -6.671 1.00 0.00 C ATOM 162 CD1 TRP A 54 9.170 0.633 -7.552 1.00 0.00 C ATOM 163 CD2 TRP A 54 11.168 -0.367 -7.280 1.00 0.00 C ATOM 164 NE1 TRP A 54 9.961 0.873 -8.661 1.00 0.00 N ATOM 165 CE2 TRP A 54 11.200 0.280 -8.545 1.00 0.00 C ATOM 166 CE3 TRP A 54 12.318 -1.078 -6.862 1.00 0.00 C ATOM 167 CZ2 TRP A 54 12.334 0.224 -9.367 1.00 0.00 C ATOM 168 CZ3 TRP A 54 13.461 -1.137 -7.687 1.00 0.00 C ATOM 169 CH2 TRP A 54 13.469 -0.485 -8.938 1.00 0.00 C ATOM 0 H TRP A 54 8.256 -2.091 -3.595 1.00 0.00 H new ATOM 0 HA TRP A 54 7.260 -0.339 -5.757 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.369 0.216 -4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 54 10.016 -1.380 -4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.162 0.994 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.663 1.422 -9.467 1.00 0.00 H new ATOM 0 HE3 TRP A 54 12.321 -1.579 -5.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.335 0.723 -10.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 14.333 -1.683 -7.360 1.00 0.00 H new ATOM 0 HH2 TRP A 54 14.347 -0.531 -9.566 1.00 0.00 H new ATOM 180 N ARG A 55 8.269 -3.435 -6.272 1.00 0.00 N ATOM 181 CA ARG A 55 8.254 -4.529 -7.295 1.00 0.00 C ATOM 182 C ARG A 55 6.972 -5.356 -7.116 1.00 0.00 C ATOM 183 O ARG A 55 6.733 -6.309 -7.831 1.00 0.00 O ATOM 184 CB ARG A 55 9.496 -5.432 -7.093 1.00 0.00 C ATOM 185 CG ARG A 55 10.648 -5.001 -8.025 1.00 0.00 C ATOM 186 CD ARG A 55 11.226 -3.636 -7.587 1.00 0.00 C ATOM 187 NE ARG A 55 11.410 -2.748 -8.781 1.00 0.00 N ATOM 188 CZ ARG A 55 11.984 -3.186 -9.872 1.00 0.00 C ATOM 189 NH1 ARG A 55 12.501 -4.382 -9.915 1.00 0.00 N ATOM 190 NH2 ARG A 55 12.066 -2.409 -10.917 1.00 0.00 N ATOM 0 H ARG A 55 8.586 -3.718 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 55 8.278 -4.107 -8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.824 -5.379 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.232 -6.471 -7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.435 -5.755 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.287 -4.936 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.555 -3.161 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.181 -3.782 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 55 11.081 -1.783 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.460 -4.985 -9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.946 -4.715 -10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.683 -1.464 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.513 -2.746 -11.770 1.00 0.00 H new ATOM 204 N LEU A 56 6.152 -4.994 -6.163 1.00 0.00 N ATOM 205 CA LEU A 56 4.880 -5.746 -5.916 1.00 0.00 C ATOM 206 C LEU A 56 3.704 -4.919 -6.438 1.00 0.00 C ATOM 207 O LEU A 56 2.673 -5.448 -6.807 1.00 0.00 O ATOM 208 CB LEU A 56 4.728 -5.977 -4.402 1.00 0.00 C ATOM 209 CG LEU A 56 3.507 -6.890 -4.094 1.00 0.00 C ATOM 210 CD1 LEU A 56 3.833 -7.820 -2.915 1.00 0.00 C ATOM 211 CD2 LEU A 56 2.284 -6.036 -3.721 1.00 0.00 C ATOM 0 H LEU A 56 6.309 -4.203 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 56 4.900 -6.707 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.636 -6.434 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.607 -5.020 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 56 3.286 -7.479 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.973 -8.456 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.691 -8.442 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.066 -7.222 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.437 -6.688 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.513 -5.438 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.034 -5.376 -4.552 1.00 0.00 H new ATOM 223 N VAL A 57 3.851 -3.623 -6.473 1.00 0.00 N ATOM 224 CA VAL A 57 2.744 -2.755 -6.967 1.00 0.00 C ATOM 225 C VAL A 57 2.676 -2.823 -8.498 1.00 0.00 C ATOM 226 O VAL A 57 1.788 -2.262 -9.110 1.00 0.00 O ATOM 227 CB VAL A 57 3.000 -1.309 -6.511 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.074 -0.345 -7.265 1.00 0.00 C ATOM 229 CG2 VAL A 57 2.732 -1.195 -5.004 1.00 0.00 C ATOM 0 H VAL A 57 4.692 -3.126 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 57 1.793 -3.100 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 57 4.037 -1.048 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.264 0.676 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.264 -0.421 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.035 -0.605 -7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.913 -0.171 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.696 -1.464 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.396 -1.870 -4.464 1.00 0.00 H new ATOM 239 N ASP A 58 3.600 -3.500 -9.129 1.00 0.00 N ATOM 240 CA ASP A 58 3.569 -3.584 -10.620 1.00 0.00 C ATOM 241 C ASP A 58 4.234 -4.880 -11.092 1.00 0.00 C ATOM 242 O ASP A 58 3.584 -5.890 -11.275 1.00 0.00 O ATOM 243 CB ASP A 58 4.320 -2.387 -11.208 1.00 0.00 C ATOM 244 CG ASP A 58 4.382 -2.518 -12.731 1.00 0.00 C ATOM 245 OD1 ASP A 58 3.618 -3.301 -13.271 1.00 0.00 O ATOM 246 OD2 ASP A 58 5.192 -1.832 -13.333 1.00 0.00 O ATOM 0 H ASP A 58 4.370 -3.996 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 58 2.532 -3.575 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.818 -1.459 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.328 -2.339 -10.796 1.00 0.00 H new ATOM 251 N ASP A 59 5.523 -4.852 -11.305 1.00 0.00 N ATOM 252 CA ASP A 59 6.238 -6.072 -11.784 1.00 0.00 C ATOM 253 C ASP A 59 5.791 -7.300 -10.984 1.00 0.00 C ATOM 254 O ASP A 59 6.376 -7.635 -9.976 1.00 0.00 O ATOM 255 CB ASP A 59 7.746 -5.877 -11.610 1.00 0.00 C ATOM 256 CG ASP A 59 8.257 -4.892 -12.663 1.00 0.00 C ATOM 257 OD1 ASP A 59 7.768 -3.775 -12.688 1.00 0.00 O ATOM 258 OD2 ASP A 59 9.130 -5.272 -13.426 1.00 0.00 O ATOM 0 H ASP A 59 6.114 -4.033 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 59 6.002 -6.229 -12.836 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.962 -5.501 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.261 -6.832 -11.710 1.00 0.00 H new ATOM 263 N ALA A 60 4.765 -7.973 -11.443 1.00 0.00 N ATOM 264 CA ALA A 60 4.263 -9.195 -10.738 1.00 0.00 C ATOM 265 C ALA A 60 2.835 -9.485 -11.208 1.00 0.00 C ATOM 266 O ALA A 60 2.339 -8.870 -12.132 1.00 0.00 O ATOM 267 CB ALA A 60 4.263 -8.973 -9.215 1.00 0.00 C ATOM 0 H ALA A 60 4.247 -7.725 -12.286 1.00 0.00 H new ATOM 0 HA ALA A 60 4.915 -10.037 -10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.896 -9.870 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.278 -8.761 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.616 -8.131 -8.970 1.00 0.00 H new ATOM 273 N ASP A 61 2.170 -10.416 -10.568 1.00 0.00 N ATOM 274 CA ASP A 61 0.770 -10.759 -10.950 1.00 0.00 C ATOM 275 C ASP A 61 -0.187 -10.198 -9.899 1.00 0.00 C ATOM 276 O ASP A 61 -0.797 -10.930 -9.145 1.00 0.00 O ATOM 277 CB ASP A 61 0.618 -12.280 -11.016 1.00 0.00 C ATOM 278 CG ASP A 61 1.305 -12.807 -12.277 1.00 0.00 C ATOM 279 OD1 ASP A 61 0.707 -12.712 -13.337 1.00 0.00 O ATOM 280 OD2 ASP A 61 2.416 -13.297 -12.163 1.00 0.00 O ATOM 0 H ASP A 61 2.545 -10.957 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 61 0.539 -10.329 -11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.058 -12.739 -10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.438 -12.551 -11.024 1.00 0.00 H new ATOM 285 N THR A 62 -0.313 -8.897 -9.838 1.00 0.00 N ATOM 286 CA THR A 62 -1.220 -8.261 -8.831 1.00 0.00 C ATOM 287 C THR A 62 -2.033 -7.151 -9.502 1.00 0.00 C ATOM 288 O THR A 62 -2.344 -6.144 -8.899 1.00 0.00 O ATOM 289 CB THR A 62 -0.369 -7.665 -7.705 1.00 0.00 C ATOM 290 OG1 THR A 62 0.098 -6.383 -8.100 1.00 0.00 O ATOM 291 CG2 THR A 62 0.828 -8.575 -7.426 1.00 0.00 C ATOM 0 H THR A 62 0.177 -8.242 -10.447 1.00 0.00 H new ATOM 0 HA THR A 62 -1.902 -9.007 -8.424 1.00 0.00 H new ATOM 0 HB THR A 62 -0.973 -7.576 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.922 -6.171 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.431 -8.148 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.473 -9.561 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.434 -8.665 -8.327 1.00 0.00 H new ATOM 299 N ASN A 63 -2.387 -7.331 -10.747 1.00 0.00 N ATOM 300 CA ASN A 63 -3.187 -6.289 -11.453 1.00 0.00 C ATOM 301 C ASN A 63 -4.642 -6.369 -10.985 1.00 0.00 C ATOM 302 O ASN A 63 -5.527 -6.725 -11.736 1.00 0.00 O ATOM 303 CB ASN A 63 -3.121 -6.531 -12.962 1.00 0.00 C ATOM 304 CG ASN A 63 -3.750 -5.347 -13.698 1.00 0.00 C ATOM 305 OD1 ASN A 63 -3.019 -4.643 -14.519 1.00 0.00 O flip ATOM 306 ND2 ASN A 63 -4.917 -5.058 -13.524 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.157 -8.154 -11.305 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.784 -5.302 -11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.085 -6.658 -13.275 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.646 -7.451 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.488 -5.608 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.325 -4.265 -14.019 1.00 0.00 H new ATOM 313 N ARG A 64 -4.891 -6.046 -9.745 1.00 0.00 N ATOM 314 CA ARG A 64 -6.283 -6.108 -9.215 1.00 0.00 C ATOM 315 C ARG A 64 -6.233 -5.937 -7.694 1.00 0.00 C ATOM 316 O ARG A 64 -6.984 -5.175 -7.117 1.00 0.00 O ATOM 317 CB ARG A 64 -6.907 -7.476 -9.596 1.00 0.00 C ATOM 318 CG ARG A 64 -7.882 -7.983 -8.508 1.00 0.00 C ATOM 319 CD ARG A 64 -8.854 -9.000 -9.114 1.00 0.00 C ATOM 320 NE ARG A 64 -9.525 -9.759 -8.023 1.00 0.00 N ATOM 321 CZ ARG A 64 -10.599 -10.456 -8.278 1.00 0.00 C ATOM 322 NH1 ARG A 64 -11.085 -10.487 -9.489 1.00 0.00 N ATOM 323 NH2 ARG A 64 -11.187 -11.121 -7.321 1.00 0.00 N ATOM 0 H ARG A 64 -4.187 -5.740 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.897 -5.315 -9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.436 -7.383 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.114 -8.209 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.324 -8.442 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.436 -7.145 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.597 -8.488 -9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.317 -9.685 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.146 -9.734 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.626 -9.967 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.924 -11.032 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.807 -11.096 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.026 -11.666 -7.520 1.00 0.00 H new ATOM 337 N LEU A 65 -5.369 -6.658 -7.045 1.00 0.00 N ATOM 338 CA LEU A 65 -5.282 -6.562 -5.565 1.00 0.00 C ATOM 339 C LEU A 65 -4.495 -5.309 -5.189 1.00 0.00 C ATOM 340 O LEU A 65 -4.504 -4.874 -4.055 1.00 0.00 O ATOM 341 CB LEU A 65 -4.574 -7.809 -5.010 1.00 0.00 C ATOM 342 CG LEU A 65 -5.188 -9.093 -5.595 1.00 0.00 C ATOM 343 CD1 LEU A 65 -4.197 -10.250 -5.460 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.474 -9.446 -4.832 1.00 0.00 C ATOM 0 H LEU A 65 -4.716 -7.312 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.284 -6.502 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.512 -7.767 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.655 -7.825 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.417 -8.927 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.637 -11.156 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.282 -10.010 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.965 -10.409 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.906 -10.356 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.241 -9.604 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.189 -8.629 -4.926 1.00 0.00 H new ATOM 356 N ILE A 66 -3.820 -4.720 -6.134 1.00 0.00 N ATOM 357 CA ILE A 66 -3.039 -3.490 -5.835 1.00 0.00 C ATOM 358 C ILE A 66 -2.741 -2.754 -7.145 1.00 0.00 C ATOM 359 O ILE A 66 -2.294 -3.346 -8.107 1.00 0.00 O ATOM 360 CB ILE A 66 -1.737 -3.887 -5.138 1.00 0.00 C ATOM 361 CG1 ILE A 66 -1.035 -2.631 -4.609 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.831 -4.619 -6.129 1.00 0.00 C ATOM 363 CD1 ILE A 66 0.161 -3.032 -3.737 1.00 0.00 C ATOM 0 H ILE A 66 -3.775 -5.038 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.607 -2.829 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.957 -4.549 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.699 -2.013 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.735 -2.030 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.097 -4.902 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.336 -5.514 -6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.607 -3.963 -6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.656 -2.135 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.187 -3.631 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.865 -3.615 -4.331 1.00 0.00 H new ATOM 375 N CYS A 67 -2.985 -1.469 -7.199 1.00 0.00 N ATOM 376 CA CYS A 67 -2.717 -0.709 -8.459 1.00 0.00 C ATOM 377 C CYS A 67 -2.313 0.729 -8.125 1.00 0.00 C ATOM 378 O CYS A 67 -2.395 1.161 -6.993 1.00 0.00 O ATOM 379 CB CYS A 67 -3.981 -0.694 -9.321 1.00 0.00 C ATOM 380 SG CYS A 67 -4.592 -2.386 -9.527 1.00 0.00 S ATOM 0 H CYS A 67 -3.357 -0.914 -6.428 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.905 -1.192 -9.003 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.746 -0.074 -8.853 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.765 -0.253 -10.294 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.636 -3.227 -9.267 1.00 0.00 H new ATOM 386 N TRP A 68 -1.874 1.471 -9.107 1.00 0.00 N ATOM 387 CA TRP A 68 -1.459 2.882 -8.858 1.00 0.00 C ATOM 388 C TRP A 68 -2.693 3.787 -8.817 1.00 0.00 C ATOM 389 O TRP A 68 -3.568 3.694 -9.655 1.00 0.00 O ATOM 390 CB TRP A 68 -0.541 3.349 -9.990 1.00 0.00 C ATOM 391 CG TRP A 68 0.798 2.694 -9.862 1.00 0.00 C ATOM 392 CD1 TRP A 68 1.186 1.584 -10.532 1.00 0.00 C ATOM 393 CD2 TRP A 68 1.930 3.093 -9.037 1.00 0.00 C ATOM 394 NE1 TRP A 68 2.484 1.272 -10.171 1.00 0.00 N ATOM 395 CE2 TRP A 68 2.988 2.169 -9.251 1.00 0.00 C ATOM 396 CE3 TRP A 68 2.142 4.155 -8.128 1.00 0.00 C ATOM 397 CZ2 TRP A 68 4.217 2.296 -8.586 1.00 0.00 C ATOM 398 CZ3 TRP A 68 3.376 4.286 -7.457 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.412 3.357 -7.686 1.00 0.00 C ATOM 0 H TRP A 68 -1.785 1.159 -10.074 1.00 0.00 H new ATOM 0 HA TRP A 68 -0.934 2.936 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.985 3.104 -10.955 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.430 4.433 -9.957 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.580 1.031 -11.235 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.005 0.476 -10.540 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.354 4.871 -7.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 5.008 1.583 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.528 5.101 -6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.355 3.461 -7.170 1.00 0.00 H new ATOM 410 N THR A 69 -2.763 4.678 -7.861 1.00 0.00 N ATOM 411 CA THR A 69 -3.932 5.606 -7.782 1.00 0.00 C ATOM 412 C THR A 69 -3.581 6.888 -8.536 1.00 0.00 C ATOM 413 O THR A 69 -2.430 7.146 -8.827 1.00 0.00 O ATOM 414 CB THR A 69 -4.235 5.939 -6.318 1.00 0.00 C ATOM 415 OG1 THR A 69 -3.053 6.411 -5.690 1.00 0.00 O ATOM 416 CG2 THR A 69 -4.733 4.690 -5.589 1.00 0.00 C ATOM 0 H THR A 69 -2.061 4.803 -7.132 1.00 0.00 H new ATOM 0 HA THR A 69 -4.811 5.136 -8.224 1.00 0.00 H new ATOM 0 HB THR A 69 -5.007 6.707 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.431 6.743 -6.371 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.946 4.936 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.642 4.327 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.967 3.916 -5.629 1.00 0.00 H new ATOM 424 N LYS A 70 -4.555 7.688 -8.867 1.00 0.00 N ATOM 425 CA LYS A 70 -4.262 8.946 -9.614 1.00 0.00 C ATOM 426 C LYS A 70 -3.447 8.606 -10.867 1.00 0.00 C ATOM 427 O LYS A 70 -2.981 9.477 -11.575 1.00 0.00 O ATOM 428 CB LYS A 70 -3.460 9.908 -8.724 1.00 0.00 C ATOM 429 CG LYS A 70 -4.223 10.186 -7.413 1.00 0.00 C ATOM 430 CD LYS A 70 -5.228 11.327 -7.616 1.00 0.00 C ATOM 431 CE LYS A 70 -6.128 11.438 -6.383 1.00 0.00 C ATOM 432 NZ LYS A 70 -5.323 11.180 -5.155 1.00 0.00 N ATOM 0 H LYS A 70 -5.540 7.527 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.198 9.425 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.483 9.479 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.283 10.843 -9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.745 9.285 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.519 10.448 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.700 12.266 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.831 11.141 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.576 12.430 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.947 10.721 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.815 11.574 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.201 10.155 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.391 11.631 -5.250 1.00 0.00 H new ATOM 446 N ASP A 71 -3.285 7.340 -11.149 1.00 0.00 N ATOM 447 CA ASP A 71 -2.517 6.925 -12.357 1.00 0.00 C ATOM 448 C ASP A 71 -1.098 7.505 -12.322 1.00 0.00 C ATOM 449 O ASP A 71 -0.630 8.060 -13.297 1.00 0.00 O ATOM 450 CB ASP A 71 -3.237 7.426 -13.610 1.00 0.00 C ATOM 451 CG ASP A 71 -4.736 7.144 -13.486 1.00 0.00 C ATOM 452 OD1 ASP A 71 -5.122 6.523 -12.509 1.00 0.00 O ATOM 453 OD2 ASP A 71 -5.471 7.554 -14.368 1.00 0.00 O ATOM 0 H ASP A 71 -3.655 6.571 -10.590 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.450 5.837 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.067 8.495 -13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.835 6.932 -14.495 1.00 0.00 H new ATOM 458 N GLY A 72 -0.397 7.374 -11.223 1.00 0.00 N ATOM 459 CA GLY A 72 0.996 7.914 -11.169 1.00 0.00 C ATOM 460 C GLY A 72 1.388 8.271 -9.731 1.00 0.00 C ATOM 461 O GLY A 72 2.554 8.426 -9.427 1.00 0.00 O ATOM 0 H GLY A 72 -0.725 6.922 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.692 7.176 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.072 8.798 -11.801 1.00 0.00 H new ATOM 465 N GLN A 73 0.432 8.419 -8.847 1.00 0.00 N ATOM 466 CA GLN A 73 0.756 8.785 -7.427 1.00 0.00 C ATOM 467 C GLN A 73 -0.013 7.874 -6.466 1.00 0.00 C ATOM 468 O GLN A 73 -1.153 7.522 -6.699 1.00 0.00 O ATOM 469 CB GLN A 73 0.341 10.240 -7.169 1.00 0.00 C ATOM 470 CG GLN A 73 0.948 11.162 -8.232 1.00 0.00 C ATOM 471 CD GLN A 73 2.454 11.295 -7.998 1.00 0.00 C ATOM 472 OE1 GLN A 73 2.925 12.386 -7.456 1.00 0.00 O flip ATOM 473 NE2 GLN A 73 3.212 10.399 -8.310 1.00 0.00 N flip ATOM 0 H GLN A 73 -0.562 8.303 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 73 1.827 8.666 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.746 10.323 -7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.672 10.549 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.759 10.760 -9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.475 12.143 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.847 9.546 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.214 10.499 -8.149 1.00 0.00 H new ATOM 482 N SER A 74 0.607 7.506 -5.379 1.00 0.00 N ATOM 483 CA SER A 74 -0.064 6.635 -4.373 1.00 0.00 C ATOM 484 C SER A 74 -0.607 5.370 -5.043 1.00 0.00 C ATOM 485 O SER A 74 -0.584 5.231 -6.250 1.00 0.00 O ATOM 486 CB SER A 74 -1.207 7.412 -3.718 1.00 0.00 C ATOM 487 OG SER A 74 -0.664 8.362 -2.811 1.00 0.00 O ATOM 0 H SER A 74 1.562 7.775 -5.142 1.00 0.00 H new ATOM 0 HA SER A 74 0.660 6.339 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.803 7.916 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.873 6.728 -3.192 1.00 0.00 H new ATOM 0 HG SER A 74 -1.281 9.118 -2.721 1.00 0.00 H new ATOM 493 N PHE A 75 -1.092 4.444 -4.256 1.00 0.00 N ATOM 494 CA PHE A 75 -1.641 3.169 -4.812 1.00 0.00 C ATOM 495 C PHE A 75 -2.851 2.747 -3.972 1.00 0.00 C ATOM 496 O PHE A 75 -3.100 3.303 -2.920 1.00 0.00 O ATOM 497 CB PHE A 75 -0.567 2.084 -4.731 1.00 0.00 C ATOM 498 CG PHE A 75 -0.171 1.883 -3.287 1.00 0.00 C ATOM 499 CD1 PHE A 75 0.661 2.824 -2.649 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.635 0.759 -2.577 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.028 2.641 -1.303 1.00 0.00 C ATOM 502 CE2 PHE A 75 -0.267 0.576 -1.230 1.00 0.00 C ATOM 503 CZ PHE A 75 0.564 1.516 -0.593 1.00 0.00 C ATOM 0 H PHE A 75 -1.132 4.518 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.940 3.310 -5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.943 1.151 -5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.302 2.371 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.017 3.686 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.273 0.037 -3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.665 3.363 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.623 -0.286 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.846 1.375 0.440 1.00 0.00 H new ATOM 513 N VAL A 76 -3.604 1.763 -4.412 1.00 0.00 N ATOM 514 CA VAL A 76 -4.789 1.312 -3.610 1.00 0.00 C ATOM 515 C VAL A 76 -4.937 -0.195 -3.685 1.00 0.00 C ATOM 516 O VAL A 76 -4.611 -0.826 -4.668 1.00 0.00 O ATOM 517 CB VAL A 76 -6.077 1.961 -4.128 1.00 0.00 C ATOM 518 CG1 VAL A 76 -6.280 1.611 -5.607 1.00 0.00 C ATOM 519 CG2 VAL A 76 -7.297 1.468 -3.310 1.00 0.00 C ATOM 0 H VAL A 76 -3.451 1.257 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.623 1.615 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.989 3.042 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.197 2.076 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.434 1.979 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.353 0.529 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.204 1.938 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.383 0.385 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.163 1.733 -2.261 1.00 0.00 H new ATOM 529 N ILE A 77 -5.453 -0.757 -2.635 1.00 0.00 N ATOM 530 CA ILE A 77 -5.679 -2.230 -2.564 1.00 0.00 C ATOM 531 C ILE A 77 -7.195 -2.453 -2.595 1.00 0.00 C ATOM 532 O ILE A 77 -7.802 -2.914 -1.653 1.00 0.00 O ATOM 533 CB ILE A 77 -5.042 -2.753 -1.261 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.502 -2.669 -1.391 1.00 0.00 C ATOM 535 CG2 ILE A 77 -5.468 -4.210 -0.991 1.00 0.00 C ATOM 536 CD1 ILE A 77 -2.850 -2.576 0.000 1.00 0.00 C ATOM 0 H ILE A 77 -5.737 -0.247 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.225 -2.768 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.381 -2.141 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.127 -3.547 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.228 -1.798 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.007 -4.559 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.553 -4.260 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.146 -4.843 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.767 -2.518 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.212 -1.685 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.109 -3.460 0.583 1.00 0.00 H new ATOM 548 N GLN A 78 -7.803 -2.070 -3.686 1.00 0.00 N ATOM 549 CA GLN A 78 -9.283 -2.184 -3.832 1.00 0.00 C ATOM 550 C GLN A 78 -9.828 -3.461 -3.175 1.00 0.00 C ATOM 551 O GLN A 78 -10.666 -3.396 -2.298 1.00 0.00 O ATOM 552 CB GLN A 78 -9.653 -2.171 -5.322 1.00 0.00 C ATOM 553 CG GLN A 78 -8.893 -3.275 -6.076 1.00 0.00 C ATOM 554 CD GLN A 78 -8.844 -2.941 -7.571 1.00 0.00 C ATOM 555 OE1 GLN A 78 -9.863 -2.689 -8.183 1.00 0.00 O ATOM 556 NE2 GLN A 78 -7.693 -2.928 -8.186 1.00 0.00 N ATOM 0 H GLN A 78 -7.327 -1.676 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.735 -1.332 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.727 -2.317 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.416 -1.198 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.881 -3.368 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.384 -4.236 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.838 -3.140 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.649 -2.706 -9.181 1.00 0.00 H new ATOM 565 N ASN A 79 -9.391 -4.623 -3.593 1.00 0.00 N ATOM 566 CA ASN A 79 -9.926 -5.883 -2.985 1.00 0.00 C ATOM 567 C ASN A 79 -9.034 -6.317 -1.817 1.00 0.00 C ATOM 568 O ASN A 79 -8.044 -6.997 -1.997 1.00 0.00 O ATOM 569 CB ASN A 79 -9.972 -6.991 -4.062 1.00 0.00 C ATOM 570 CG ASN A 79 -11.180 -7.908 -3.829 1.00 0.00 C ATOM 571 OD1 ASN A 79 -11.041 -9.113 -3.764 1.00 0.00 O ATOM 572 ND2 ASN A 79 -12.368 -7.382 -3.698 1.00 0.00 N ATOM 0 H ASN A 79 -8.692 -4.755 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.933 -5.707 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.033 -6.542 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.052 -7.575 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.177 -7.983 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.487 -6.370 -3.752 1.00 0.00 H new ATOM 579 N GLN A 80 -9.384 -5.938 -0.618 1.00 0.00 N ATOM 580 CA GLN A 80 -8.562 -6.346 0.552 1.00 0.00 C ATOM 581 C GLN A 80 -8.871 -7.810 0.882 1.00 0.00 C ATOM 582 O GLN A 80 -8.446 -8.336 1.891 1.00 0.00 O ATOM 583 CB GLN A 80 -8.892 -5.452 1.755 1.00 0.00 C ATOM 584 CG GLN A 80 -10.302 -5.764 2.266 1.00 0.00 C ATOM 585 CD GLN A 80 -10.779 -4.633 3.180 1.00 0.00 C ATOM 586 OE1 GLN A 80 -11.263 -4.877 4.267 1.00 0.00 O ATOM 587 NE2 GLN A 80 -10.663 -3.396 2.781 1.00 0.00 N ATOM 0 H GLN A 80 -10.200 -5.366 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.502 -6.238 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.164 -5.614 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.824 -4.402 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.987 -5.880 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.302 -6.709 2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.257 -3.191 1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.979 -2.635 3.382 1.00 0.00 H new ATOM 596 N ALA A 81 -9.620 -8.464 0.032 1.00 0.00 N ATOM 597 CA ALA A 81 -9.975 -9.889 0.282 1.00 0.00 C ATOM 598 C ALA A 81 -8.777 -10.787 -0.030 1.00 0.00 C ATOM 599 O ALA A 81 -7.882 -10.942 0.778 1.00 0.00 O ATOM 600 CB ALA A 81 -11.152 -10.284 -0.612 1.00 0.00 C ATOM 0 H ALA A 81 -10.002 -8.069 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.251 -10.011 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.413 -11.327 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.010 -9.650 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.873 -10.157 -1.658 1.00 0.00 H new ATOM 606 N GLN A 82 -8.751 -11.388 -1.192 1.00 0.00 N ATOM 607 CA GLN A 82 -7.607 -12.280 -1.537 1.00 0.00 C ATOM 608 C GLN A 82 -6.335 -11.459 -1.791 1.00 0.00 C ATOM 609 O GLN A 82 -5.464 -11.850 -2.538 1.00 0.00 O ATOM 610 CB GLN A 82 -7.959 -13.168 -2.744 1.00 0.00 C ATOM 611 CG GLN A 82 -7.981 -12.369 -4.044 1.00 0.00 C ATOM 612 CD GLN A 82 -8.883 -11.143 -3.888 1.00 0.00 C ATOM 613 OE1 GLN A 82 -8.466 -10.126 -3.190 1.00 0.00 O flip ATOM 614 NE2 GLN A 82 -9.978 -11.114 -4.410 1.00 0.00 N flip ATOM 0 H GLN A 82 -9.468 -11.300 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.410 -12.936 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.232 -13.976 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.933 -13.630 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.970 -12.056 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.342 -12.995 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.304 -11.911 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.573 -10.292 -4.302 1.00 0.00 H new ATOM 623 N PHE A 83 -6.207 -10.340 -1.124 1.00 0.00 N ATOM 624 CA PHE A 83 -4.980 -9.498 -1.262 1.00 0.00 C ATOM 625 C PHE A 83 -3.951 -9.986 -0.236 1.00 0.00 C ATOM 626 O PHE A 83 -2.758 -9.852 -0.422 1.00 0.00 O ATOM 627 CB PHE A 83 -5.350 -8.026 -0.995 1.00 0.00 C ATOM 628 CG PHE A 83 -4.136 -7.219 -0.564 1.00 0.00 C ATOM 629 CD1 PHE A 83 -3.312 -6.561 -1.506 1.00 0.00 C ATOM 630 CD2 PHE A 83 -3.838 -7.126 0.806 1.00 0.00 C ATOM 631 CE1 PHE A 83 -2.200 -5.815 -1.067 1.00 0.00 C ATOM 632 CE2 PHE A 83 -2.727 -6.382 1.243 1.00 0.00 C ATOM 633 CZ PHE A 83 -1.909 -5.726 0.306 1.00 0.00 C ATOM 0 H PHE A 83 -6.908 -9.970 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.562 -9.577 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.779 -7.588 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.116 -7.976 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.535 -6.630 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.465 -7.628 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.571 -5.311 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.502 -6.315 2.297 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.057 -5.153 0.641 1.00 0.00 H new ATOM 643 N ALA A 84 -4.414 -10.548 0.847 1.00 0.00 N ATOM 644 CA ALA A 84 -3.481 -11.047 1.896 1.00 0.00 C ATOM 645 C ALA A 84 -3.065 -12.480 1.574 1.00 0.00 C ATOM 646 O ALA A 84 -1.905 -12.766 1.372 1.00 0.00 O ATOM 647 CB ALA A 84 -4.185 -11.020 3.254 1.00 0.00 C ATOM 0 H ALA A 84 -5.404 -10.684 1.051 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.597 -10.410 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.505 -11.385 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.484 -9.998 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.068 -11.658 3.219 1.00 0.00 H new ATOM 653 N LYS A 85 -4.004 -13.382 1.538 1.00 0.00 N ATOM 654 CA LYS A 85 -3.677 -14.804 1.243 1.00 0.00 C ATOM 655 C LYS A 85 -3.356 -14.974 -0.245 1.00 0.00 C ATOM 656 O LYS A 85 -3.855 -15.875 -0.889 1.00 0.00 O ATOM 657 CB LYS A 85 -4.892 -15.676 1.595 1.00 0.00 C ATOM 658 CG LYS A 85 -6.118 -15.281 0.715 1.00 0.00 C ATOM 659 CD LYS A 85 -7.323 -14.884 1.584 1.00 0.00 C ATOM 660 CE LYS A 85 -7.077 -13.523 2.248 1.00 0.00 C ATOM 661 NZ LYS A 85 -8.363 -12.996 2.785 1.00 0.00 N ATOM 0 H LYS A 85 -4.993 -13.193 1.702 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.810 -15.103 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.650 -16.728 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.140 -15.557 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.848 -14.451 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.391 -16.117 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.223 -14.839 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.495 -15.643 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.348 -13.625 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.658 -12.823 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.615 -12.120 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.113 -13.703 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.260 -12.797 3.801 1.00 0.00 H new ATOM 675 N GLU A 86 -2.545 -14.118 -0.810 1.00 0.00 N ATOM 676 CA GLU A 86 -2.230 -14.252 -2.258 1.00 0.00 C ATOM 677 C GLU A 86 -0.870 -13.617 -2.576 1.00 0.00 C ATOM 678 O GLU A 86 -0.202 -14.025 -3.506 1.00 0.00 O ATOM 679 CB GLU A 86 -3.324 -13.545 -3.061 1.00 0.00 C ATOM 680 CG GLU A 86 -3.173 -13.885 -4.542 1.00 0.00 C ATOM 681 CD GLU A 86 -3.649 -15.317 -4.791 1.00 0.00 C ATOM 682 OE1 GLU A 86 -4.739 -15.645 -4.350 1.00 0.00 O ATOM 683 OE2 GLU A 86 -2.915 -16.064 -5.418 1.00 0.00 O ATOM 0 H GLU A 86 -2.091 -13.338 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.186 -15.309 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.307 -13.853 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.256 -12.467 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.753 -13.188 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.131 -13.779 -4.845 1.00 0.00 H new ATOM 690 N LEU A 87 -0.461 -12.611 -1.833 1.00 0.00 N ATOM 691 CA LEU A 87 0.851 -11.935 -2.120 1.00 0.00 C ATOM 692 C LEU A 87 1.752 -11.938 -0.879 1.00 0.00 C ATOM 693 O LEU A 87 2.959 -11.861 -0.987 1.00 0.00 O ATOM 694 CB LEU A 87 0.589 -10.483 -2.537 1.00 0.00 C ATOM 695 CG LEU A 87 -0.489 -10.427 -3.628 1.00 0.00 C ATOM 696 CD1 LEU A 87 -0.875 -8.969 -3.879 1.00 0.00 C ATOM 697 CD2 LEU A 87 0.050 -11.039 -4.927 1.00 0.00 C ATOM 0 H LEU A 87 -0.978 -12.229 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 87 1.352 -12.480 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.271 -9.901 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.511 -10.031 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.362 -10.992 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.641 -8.923 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.263 -8.532 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.003 -8.411 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.721 -10.996 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.925 -10.479 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.329 -12.078 -4.751 1.00 0.00 H new ATOM 709 N LEU A 88 1.191 -12.006 0.300 1.00 0.00 N ATOM 710 CA LEU A 88 2.049 -11.992 1.522 1.00 0.00 C ATOM 711 C LEU A 88 2.753 -13.349 1.765 1.00 0.00 C ATOM 712 O LEU A 88 3.864 -13.353 2.256 1.00 0.00 O ATOM 713 CB LEU A 88 1.214 -11.614 2.751 1.00 0.00 C ATOM 714 CG LEU A 88 0.311 -10.423 2.415 1.00 0.00 C ATOM 715 CD1 LEU A 88 -0.539 -10.067 3.639 1.00 0.00 C ATOM 716 CD2 LEU A 88 1.169 -9.214 2.022 1.00 0.00 C ATOM 0 H LEU A 88 0.187 -12.070 0.469 1.00 0.00 H new ATOM 0 HA LEU A 88 2.825 -11.245 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.609 -12.464 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.870 -11.362 3.585 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.339 -10.689 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.182 -9.220 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.154 -10.923 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.114 -9.805 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.521 -8.370 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.823 -8.947 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.773 -9.465 1.150 1.00 0.00 H new ATOM 728 N PRO A 89 2.123 -14.470 1.444 1.00 0.00 N ATOM 729 CA PRO A 89 2.759 -15.781 1.677 1.00 0.00 C ATOM 730 C PRO A 89 3.983 -15.934 0.763 1.00 0.00 C ATOM 731 O PRO A 89 4.995 -16.482 1.153 1.00 0.00 O ATOM 732 CB PRO A 89 1.662 -16.823 1.347 1.00 0.00 C ATOM 733 CG PRO A 89 0.384 -16.035 0.940 1.00 0.00 C ATOM 734 CD PRO A 89 0.772 -14.544 0.847 1.00 0.00 C ATOM 0 HA PRO A 89 3.120 -15.903 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.984 -17.477 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.463 -17.458 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.001 -16.392 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.407 -16.181 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.777 -14.200 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.065 -13.916 1.389 1.00 0.00 H new ATOM 742 N LEU A 90 3.901 -15.449 -0.448 1.00 0.00 N ATOM 743 CA LEU A 90 5.061 -15.563 -1.380 1.00 0.00 C ATOM 744 C LEU A 90 5.998 -14.372 -1.169 1.00 0.00 C ATOM 745 O LEU A 90 6.688 -13.946 -2.074 1.00 0.00 O ATOM 746 CB LEU A 90 4.567 -15.564 -2.834 1.00 0.00 C ATOM 747 CG LEU A 90 3.749 -16.847 -3.129 1.00 0.00 C ATOM 748 CD1 LEU A 90 2.267 -16.624 -2.793 1.00 0.00 C ATOM 749 CD2 LEU A 90 3.874 -17.210 -4.616 1.00 0.00 C ATOM 0 H LEU A 90 3.081 -14.979 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 90 5.591 -16.494 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.951 -14.683 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.417 -15.504 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 90 4.140 -17.657 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.705 -17.533 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.167 -16.374 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.876 -15.806 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.298 -18.112 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.492 -16.390 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.922 -17.385 -4.861 1.00 0.00 H new ATOM 761 N ASN A 91 6.030 -13.828 0.021 1.00 0.00 N ATOM 762 CA ASN A 91 6.924 -12.662 0.290 1.00 0.00 C ATOM 763 C ASN A 91 7.354 -12.673 1.758 1.00 0.00 C ATOM 764 O ASN A 91 8.460 -13.056 2.087 1.00 0.00 O ATOM 765 CB ASN A 91 6.172 -11.363 -0.011 1.00 0.00 C ATOM 766 CG ASN A 91 5.973 -11.227 -1.522 1.00 0.00 C ATOM 767 OD1 ASN A 91 6.798 -10.489 -2.213 1.00 0.00 O flip ATOM 768 ND2 ASN A 91 5.059 -11.801 -2.080 1.00 0.00 N flip ATOM 0 H ASN A 91 5.476 -14.141 0.818 1.00 0.00 H new ATOM 0 HA ASN A 91 7.807 -12.728 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.207 -11.364 0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.732 -10.509 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.414 -12.378 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.937 -11.706 -3.088 1.00 0.00 H new ATOM 775 N TYR A 92 6.492 -12.253 2.647 1.00 0.00 N ATOM 776 CA TYR A 92 6.853 -12.235 4.096 1.00 0.00 C ATOM 777 C TYR A 92 6.476 -13.573 4.735 1.00 0.00 C ATOM 778 O TYR A 92 6.556 -13.740 5.936 1.00 0.00 O ATOM 779 CB TYR A 92 6.093 -11.106 4.795 1.00 0.00 C ATOM 780 CG TYR A 92 6.219 -9.837 3.981 1.00 0.00 C ATOM 781 CD1 TYR A 92 7.492 -9.285 3.734 1.00 0.00 C ATOM 782 CD2 TYR A 92 5.068 -9.205 3.469 1.00 0.00 C ATOM 783 CE1 TYR A 92 7.612 -8.104 2.977 1.00 0.00 C ATOM 784 CE2 TYR A 92 5.190 -8.024 2.711 1.00 0.00 C ATOM 785 CZ TYR A 92 6.463 -7.473 2.465 1.00 0.00 C ATOM 786 OH TYR A 92 6.582 -6.316 1.723 1.00 0.00 O ATOM 0 H TYR A 92 5.552 -11.921 2.432 1.00 0.00 H new ATOM 0 HA TYR A 92 7.926 -12.073 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.043 -11.375 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.492 -10.950 5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.375 -9.768 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.092 -9.626 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.588 -7.681 2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.307 -7.541 2.318 1.00 0.00 H new ATOM 0 HH TYR A 92 5.692 -6.012 1.446 1.00 0.00 H new ATOM 796 N LYS A 93 6.071 -14.527 3.941 1.00 0.00 N ATOM 797 CA LYS A 93 5.693 -15.861 4.493 1.00 0.00 C ATOM 798 C LYS A 93 4.473 -15.720 5.414 1.00 0.00 C ATOM 799 O LYS A 93 3.371 -16.086 5.056 1.00 0.00 O ATOM 800 CB LYS A 93 6.880 -16.448 5.278 1.00 0.00 C ATOM 801 CG LYS A 93 6.752 -17.983 5.369 1.00 0.00 C ATOM 802 CD LYS A 93 7.350 -18.649 4.112 1.00 0.00 C ATOM 803 CE LYS A 93 8.862 -18.847 4.286 1.00 0.00 C ATOM 804 NZ LYS A 93 9.406 -19.573 3.104 1.00 0.00 N ATOM 0 H LYS A 93 5.985 -14.440 2.928 1.00 0.00 H new ATOM 0 HA LYS A 93 5.438 -16.531 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.817 -16.182 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.911 -16.018 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.266 -18.345 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.703 -18.261 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.868 -19.611 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.155 -18.030 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.356 -17.881 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.064 -19.411 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.431 -19.708 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.942 -20.500 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.226 -19.018 2.243 1.00 0.00 H new ATOM 818 N HIS A 94 4.662 -15.202 6.599 1.00 0.00 N ATOM 819 CA HIS A 94 3.515 -15.048 7.542 1.00 0.00 C ATOM 820 C HIS A 94 2.309 -14.451 6.806 1.00 0.00 C ATOM 821 O HIS A 94 2.432 -13.494 6.068 1.00 0.00 O ATOM 822 CB HIS A 94 3.923 -14.127 8.698 1.00 0.00 C ATOM 823 CG HIS A 94 4.104 -12.720 8.194 1.00 0.00 C ATOM 824 ND1 HIS A 94 3.031 -11.928 7.816 1.00 0.00 N ATOM 825 CD2 HIS A 94 5.224 -11.951 8.000 1.00 0.00 C ATOM 826 CE1 HIS A 94 3.522 -10.741 7.418 1.00 0.00 C ATOM 827 NE2 HIS A 94 4.855 -10.701 7.510 1.00 0.00 N ATOM 0 H HIS A 94 5.562 -14.879 6.955 1.00 0.00 H new ATOM 0 HA HIS A 94 3.241 -16.026 7.937 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.161 -14.148 9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.850 -14.483 9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.238 -12.267 8.197 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.914 -9.920 7.067 1.00 0.00 H new ATOM 0 HE2 HIS A 94 5.470 -9.922 7.272 1.00 0.00 H new ATOM 835 N ASN A 95 1.143 -15.013 7.008 1.00 0.00 N ATOM 836 CA ASN A 95 -0.084 -14.489 6.330 1.00 0.00 C ATOM 837 C ASN A 95 -0.898 -13.658 7.324 1.00 0.00 C ATOM 838 O ASN A 95 -1.132 -14.067 8.444 1.00 0.00 O ATOM 839 CB ASN A 95 -0.932 -15.666 5.840 1.00 0.00 C ATOM 840 CG ASN A 95 -2.166 -15.137 5.108 1.00 0.00 C ATOM 841 OD1 ASN A 95 -2.141 -14.058 4.550 1.00 0.00 O ATOM 842 ND2 ASN A 95 -3.255 -15.857 5.085 1.00 0.00 N ATOM 0 H ASN A 95 0.987 -15.817 7.617 1.00 0.00 H new ATOM 0 HA ASN A 95 0.204 -13.866 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.345 -16.299 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.235 -16.286 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.083 -15.513 4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.277 -16.763 5.553 1.00 0.00 H new ATOM 849 N ASN A 96 -1.335 -12.494 6.924 1.00 0.00 N ATOM 850 CA ASN A 96 -2.135 -11.640 7.848 1.00 0.00 C ATOM 851 C ASN A 96 -2.695 -10.442 7.078 1.00 0.00 C ATOM 852 O ASN A 96 -2.379 -10.233 5.924 1.00 0.00 O ATOM 853 CB ASN A 96 -1.239 -11.140 8.983 1.00 0.00 C ATOM 854 CG ASN A 96 -0.113 -10.281 8.406 1.00 0.00 C ATOM 855 OD1 ASN A 96 0.044 -10.217 7.112 1.00 0.00 O flip ATOM 856 ND2 ASN A 96 0.631 -9.662 9.140 1.00 0.00 N flip ATOM 0 H ASN A 96 -1.173 -12.098 5.998 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.957 -12.224 8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.826 -10.559 9.694 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.822 -11.985 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.508 -9.712 10.151 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.379 -9.092 8.745 1.00 0.00 H new ATOM 863 N MET A 97 -3.529 -9.653 7.708 1.00 0.00 N ATOM 864 CA MET A 97 -4.117 -8.462 7.017 1.00 0.00 C ATOM 865 C MET A 97 -4.190 -7.290 7.998 1.00 0.00 C ATOM 866 O MET A 97 -3.358 -6.404 7.981 1.00 0.00 O ATOM 867 CB MET A 97 -5.528 -8.808 6.524 1.00 0.00 C ATOM 868 CG MET A 97 -6.074 -7.661 5.667 1.00 0.00 C ATOM 869 SD MET A 97 -5.123 -7.548 4.130 1.00 0.00 S ATOM 870 CE MET A 97 -5.119 -5.745 3.978 1.00 0.00 C ATOM 0 H MET A 97 -3.830 -9.782 8.674 1.00 0.00 H new ATOM 0 HA MET A 97 -3.492 -8.185 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.504 -9.729 5.942 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.187 -8.985 7.374 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.127 -7.830 5.444 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.011 -6.721 6.216 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.835 -5.466 2.963 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.115 -5.359 4.195 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.404 -5.322 4.684 1.00 0.00 H new ATOM 880 N ALA A 98 -5.176 -7.273 8.854 1.00 0.00 N ATOM 881 CA ALA A 98 -5.294 -6.154 9.832 1.00 0.00 C ATOM 882 C ALA A 98 -3.945 -5.934 10.519 1.00 0.00 C ATOM 883 O ALA A 98 -3.653 -4.858 11.003 1.00 0.00 O ATOM 884 CB ALA A 98 -6.351 -6.503 10.881 1.00 0.00 C ATOM 0 H ALA A 98 -5.904 -7.985 8.918 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.588 -5.244 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.438 -5.685 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.312 -6.660 10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.058 -7.413 11.404 1.00 0.00 H new ATOM 890 N SER A 99 -3.118 -6.942 10.559 1.00 0.00 N ATOM 891 CA SER A 99 -1.787 -6.782 11.206 1.00 0.00 C ATOM 892 C SER A 99 -0.854 -6.054 10.241 1.00 0.00 C ATOM 893 O SER A 99 -0.048 -5.234 10.637 1.00 0.00 O ATOM 894 CB SER A 99 -1.209 -8.158 11.540 1.00 0.00 C ATOM 895 OG SER A 99 -2.216 -8.955 12.150 1.00 0.00 O ATOM 0 H SER A 99 -3.306 -7.867 10.173 1.00 0.00 H new ATOM 0 HA SER A 99 -1.890 -6.207 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.845 -8.642 10.634 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.356 -8.054 12.210 1.00 0.00 H new ATOM 0 HG SER A 99 -1.849 -9.838 12.364 1.00 0.00 H new ATOM 901 N PHE A 100 -0.965 -6.338 8.972 1.00 0.00 N ATOM 902 CA PHE A 100 -0.096 -5.654 7.979 1.00 0.00 C ATOM 903 C PHE A 100 -0.505 -4.182 7.897 1.00 0.00 C ATOM 904 O PHE A 100 0.323 -3.303 7.770 1.00 0.00 O ATOM 905 CB PHE A 100 -0.260 -6.315 6.605 1.00 0.00 C ATOM 906 CG PHE A 100 0.414 -5.462 5.551 1.00 0.00 C ATOM 907 CD1 PHE A 100 1.802 -5.239 5.613 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.348 -4.876 4.519 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.429 -4.432 4.646 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.281 -4.071 3.551 1.00 0.00 C ATOM 911 CZ PHE A 100 1.671 -3.848 3.616 1.00 0.00 C ATOM 0 H PHE A 100 -1.621 -7.015 8.582 1.00 0.00 H new ATOM 0 HA PHE A 100 0.947 -5.731 8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.178 -7.313 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.318 -6.433 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.386 -5.687 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.414 -5.045 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.494 -4.261 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.301 -3.624 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.154 -3.229 2.875 1.00 0.00 H new ATOM 921 N ILE A 101 -1.776 -3.904 7.966 1.00 0.00 N ATOM 922 CA ILE A 101 -2.223 -2.489 7.893 1.00 0.00 C ATOM 923 C ILE A 101 -1.758 -1.758 9.152 1.00 0.00 C ATOM 924 O ILE A 101 -1.304 -0.634 9.096 1.00 0.00 O ATOM 925 CB ILE A 101 -3.754 -2.441 7.764 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.146 -2.869 6.333 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.256 -1.012 8.042 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.585 -3.408 6.303 1.00 0.00 C ATOM 0 H ILE A 101 -2.521 -4.593 8.069 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.791 -1.999 7.020 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.209 -3.118 8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.056 -2.019 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.458 -3.635 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.342 -0.983 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.970 -0.716 9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.812 -0.324 7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.842 -3.704 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.664 -4.272 6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.272 -2.631 6.639 1.00 0.00 H new ATOM 940 N ARG A 102 -1.848 -2.392 10.287 1.00 0.00 N ATOM 941 CA ARG A 102 -1.391 -1.737 11.532 1.00 0.00 C ATOM 942 C ARG A 102 0.065 -1.309 11.348 1.00 0.00 C ATOM 943 O ARG A 102 0.512 -0.326 11.905 1.00 0.00 O ATOM 944 CB ARG A 102 -1.505 -2.741 12.676 1.00 0.00 C ATOM 945 CG ARG A 102 -1.480 -2.012 14.021 1.00 0.00 C ATOM 946 CD ARG A 102 -1.761 -3.016 15.140 1.00 0.00 C ATOM 947 NE ARG A 102 -2.210 -2.290 16.373 1.00 0.00 N ATOM 948 CZ ARG A 102 -1.500 -1.325 16.895 1.00 0.00 C ATOM 949 NH1 ARG A 102 -0.283 -1.100 16.484 1.00 0.00 N ATOM 950 NH2 ARG A 102 -1.991 -0.622 17.878 1.00 0.00 N ATOM 0 H ARG A 102 -2.219 -3.335 10.401 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.998 -0.861 11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.429 -3.310 12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.684 -3.456 12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.510 -1.540 14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.227 -1.218 14.032 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.528 -3.722 14.823 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.863 -3.596 15.355 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.090 -2.556 16.815 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.122 -1.680 15.749 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.263 -0.344 16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.924 -0.827 18.235 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.442 0.132 18.290 1.00 0.00 H new ATOM 964 N GLN A 103 0.802 -2.037 10.553 1.00 0.00 N ATOM 965 CA GLN A 103 2.222 -1.674 10.311 1.00 0.00 C ATOM 966 C GLN A 103 2.272 -0.485 9.349 1.00 0.00 C ATOM 967 O GLN A 103 3.136 0.364 9.442 1.00 0.00 O ATOM 968 CB GLN A 103 2.959 -2.869 9.699 1.00 0.00 C ATOM 969 CG GLN A 103 3.259 -3.901 10.789 1.00 0.00 C ATOM 970 CD GLN A 103 3.934 -5.123 10.163 1.00 0.00 C ATOM 971 OE1 GLN A 103 4.031 -5.205 8.864 1.00 0.00 O flip ATOM 972 NE2 GLN A 103 4.377 -6.012 10.862 1.00 0.00 N flip ATOM 0 H GLN A 103 0.478 -2.869 10.061 1.00 0.00 H new ATOM 0 HA GLN A 103 2.702 -1.405 11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.352 -3.320 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.887 -2.537 9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.906 -3.465 11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.336 -4.198 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.301 -5.948 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.825 -6.822 10.434 1.00 0.00 H new ATOM 981 N LEU A 104 1.343 -0.404 8.431 1.00 0.00 N ATOM 982 CA LEU A 104 1.340 0.746 7.484 1.00 0.00 C ATOM 983 C LEU A 104 1.112 2.030 8.280 1.00 0.00 C ATOM 984 O LEU A 104 1.760 3.034 8.061 1.00 0.00 O ATOM 985 CB LEU A 104 0.210 0.590 6.454 1.00 0.00 C ATOM 986 CG LEU A 104 0.423 -0.662 5.585 1.00 0.00 C ATOM 987 CD1 LEU A 104 -0.691 -0.728 4.534 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.793 -0.600 4.881 1.00 0.00 C ATOM 0 H LEU A 104 0.592 -1.081 8.298 1.00 0.00 H new ATOM 0 HA LEU A 104 2.294 0.782 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.748 0.521 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.168 1.475 5.819 1.00 0.00 H new ATOM 0 HG LEU A 104 0.397 -1.550 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.552 -1.611 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.659 -0.785 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.656 0.165 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.929 -1.492 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.836 0.285 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.584 -0.548 5.629 1.00 0.00 H new ATOM 1000 N ASN A 105 0.196 2.002 9.210 1.00 0.00 N ATOM 1001 CA ASN A 105 -0.076 3.216 10.027 1.00 0.00 C ATOM 1002 C ASN A 105 1.046 3.386 11.057 1.00 0.00 C ATOM 1003 O ASN A 105 1.093 4.356 11.787 1.00 0.00 O ATOM 1004 CB ASN A 105 -1.427 3.048 10.740 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.011 4.420 11.087 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -3.231 4.703 10.722 1.00 0.00 O flip ATOM 1007 ND2 ASN A 105 -1.352 5.240 11.696 1.00 0.00 N flip ATOM 0 H ASN A 105 -0.376 1.189 9.438 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.115 4.099 9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -2.119 2.500 10.100 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.297 2.459 11.648 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.398 5.018 11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.753 6.150 11.922 1.00 0.00 H new ATOM 1014 N MET A 106 1.947 2.443 11.117 1.00 0.00 N ATOM 1015 CA MET A 106 3.069 2.534 12.093 1.00 0.00 C ATOM 1016 C MET A 106 4.210 3.356 11.491 1.00 0.00 C ATOM 1017 O MET A 106 4.932 4.037 12.191 1.00 0.00 O ATOM 1018 CB MET A 106 3.581 1.122 12.406 1.00 0.00 C ATOM 1019 CG MET A 106 4.536 1.148 13.619 1.00 0.00 C ATOM 1020 SD MET A 106 3.626 0.707 15.121 1.00 0.00 S ATOM 1021 CE MET A 106 3.671 -1.086 14.882 1.00 0.00 C ATOM 0 H MET A 106 1.954 1.610 10.529 1.00 0.00 H new ATOM 0 HA MET A 106 2.716 3.014 13.006 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.739 0.461 12.613 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.099 0.716 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.358 0.450 13.462 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.976 2.139 13.727 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.285 -1.582 15.773 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.057 -1.354 14.023 1.00 0.00 H new ATOM 0 HE3 MET A 106 4.699 -1.404 14.706 1.00 0.00 H new ATOM 1031 N TYR A 107 4.384 3.292 10.198 1.00 0.00 N ATOM 1032 CA TYR A 107 5.483 4.063 9.560 1.00 0.00 C ATOM 1033 C TYR A 107 5.059 5.526 9.403 1.00 0.00 C ATOM 1034 O TYR A 107 5.826 6.433 9.657 1.00 0.00 O ATOM 1035 CB TYR A 107 5.791 3.470 8.182 1.00 0.00 C ATOM 1036 CG TYR A 107 5.856 1.955 8.260 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.692 1.325 9.206 1.00 0.00 C ATOM 1038 CD2 TYR A 107 5.085 1.171 7.374 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.753 -0.080 9.266 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.150 -0.235 7.435 1.00 0.00 C ATOM 1041 CZ TYR A 107 5.983 -0.860 8.382 1.00 0.00 C ATOM 1042 OH TYR A 107 6.052 -2.236 8.439 1.00 0.00 O ATOM 0 H TYR A 107 3.812 2.739 9.559 1.00 0.00 H new ATOM 0 HA TYR A 107 6.374 4.009 10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 107 5.023 3.771 7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.739 3.863 7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.285 1.921 9.884 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.444 1.650 6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.392 -0.561 9.992 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.561 -0.833 6.755 1.00 0.00 H new ATOM 0 HH TYR A 107 6.301 -2.588 7.559 1.00 0.00 H new ATOM 1052 N GLY A 108 3.842 5.764 8.987 1.00 0.00 N ATOM 1053 CA GLY A 108 3.363 7.170 8.811 1.00 0.00 C ATOM 1054 C GLY A 108 2.477 7.248 7.567 1.00 0.00 C ATOM 1055 O GLY A 108 2.499 8.218 6.836 1.00 0.00 O ATOM 0 H GLY A 108 3.156 5.044 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.804 7.489 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.212 7.846 8.710 1.00 0.00 H new ATOM 1059 N PHE A 109 1.703 6.229 7.321 1.00 0.00 N ATOM 1060 CA PHE A 109 0.819 6.233 6.123 1.00 0.00 C ATOM 1061 C PHE A 109 -0.443 7.042 6.438 1.00 0.00 C ATOM 1062 O PHE A 109 -0.669 7.444 7.561 1.00 0.00 O ATOM 1063 CB PHE A 109 0.439 4.787 5.769 1.00 0.00 C ATOM 1064 CG PHE A 109 1.557 4.134 4.976 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.861 4.072 5.508 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.293 3.586 3.704 1.00 0.00 C ATOM 1067 CE1 PHE A 109 3.897 3.467 4.770 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.330 2.980 2.968 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.631 2.921 3.501 1.00 0.00 C ATOM 0 H PHE A 109 1.644 5.391 7.900 1.00 0.00 H new ATOM 0 HA PHE A 109 1.337 6.684 5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.249 4.219 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.483 4.777 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.066 4.489 6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.295 3.631 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.896 3.422 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.126 2.560 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.425 2.456 2.936 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.265 7.286 5.453 1.00 0.00 N ATOM 1080 CA HIS A 110 -2.512 8.071 5.693 1.00 0.00 C ATOM 1081 C HIS A 110 -3.594 7.618 4.711 1.00 0.00 C ATOM 1082 O HIS A 110 -3.845 8.262 3.712 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.223 9.560 5.485 1.00 0.00 C ATOM 1084 CG HIS A 110 -3.499 10.350 5.600 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -4.764 10.000 6.007 1.00 0.00 N flip ATOM 1086 CD2 HIS A 110 -3.567 11.694 5.272 1.00 0.00 C flip ATOM 1087 CE1 HIS A 110 -5.604 11.108 5.932 1.00 0.00 C flip ATOM 1088 NE2 HIS A 110 -4.833 12.101 5.483 1.00 0.00 N flip ATOM 0 H HIS A 110 -1.127 6.976 4.491 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.857 7.907 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.502 9.907 6.226 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -1.774 9.719 4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -2.752 12.305 4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.653 11.154 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -5.163 13.052 5.320 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.240 6.519 4.988 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.306 6.037 4.072 1.00 0.00 C ATOM 1098 C LYS A 111 -6.503 6.982 4.155 1.00 0.00 C ATOM 1099 O LYS A 111 -6.914 7.387 5.225 1.00 0.00 O ATOM 1100 CB LYS A 111 -5.729 4.621 4.476 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.179 4.607 5.947 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.198 3.168 6.494 1.00 0.00 C ATOM 1103 CE LYS A 111 -7.456 2.442 6.015 1.00 0.00 C ATOM 1104 NZ LYS A 111 -7.406 1.020 6.456 1.00 0.00 N ATOM 0 H LYS A 111 -4.074 5.936 5.808 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.931 6.016 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.541 4.278 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.898 3.930 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.505 5.220 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.172 5.048 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.310 2.632 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.170 3.184 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.345 2.928 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.528 2.495 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.261 0.525 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.565 0.560 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.357 0.980 7.494 1.00 0.00 H new ATOM 1118 N ILE A 112 -7.061 7.347 3.032 1.00 0.00 N ATOM 1119 CA ILE A 112 -8.229 8.280 3.039 1.00 0.00 C ATOM 1120 C ILE A 112 -9.527 7.455 3.132 1.00 0.00 C ATOM 1121 O ILE A 112 -10.363 7.476 2.250 1.00 0.00 O ATOM 1122 CB ILE A 112 -8.218 9.156 1.748 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -6.816 9.163 1.100 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -8.616 10.600 2.081 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -5.778 9.793 2.040 1.00 0.00 C ATOM 0 H ILE A 112 -6.759 7.040 2.107 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.169 8.947 3.899 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.935 8.726 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.519 8.143 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.848 9.719 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.604 11.200 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.618 10.612 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.909 11.016 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.800 9.785 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.065 10.821 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.731 9.221 2.967 1.00 0.00 H new ATOM 1137 N THR A 113 -9.700 6.727 4.202 1.00 0.00 N ATOM 1138 CA THR A 113 -10.938 5.908 4.351 1.00 0.00 C ATOM 1139 C THR A 113 -11.182 5.609 5.828 1.00 0.00 C ATOM 1140 O THR A 113 -11.647 4.547 6.193 1.00 0.00 O ATOM 1141 CB THR A 113 -10.776 4.596 3.574 1.00 0.00 C ATOM 1142 OG1 THR A 113 -12.020 3.911 3.543 1.00 0.00 O ATOM 1143 CG2 THR A 113 -9.719 3.707 4.245 1.00 0.00 C ATOM 0 H THR A 113 -9.040 6.664 4.977 1.00 0.00 H new ATOM 0 HA THR A 113 -11.790 6.460 3.954 1.00 0.00 H new ATOM 0 HB THR A 113 -10.453 4.823 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.363 3.815 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.614 2.779 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.763 4.230 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.029 3.480 5.265 1.00 0.00 H new ATOM 1151 N SER A 114 -10.880 6.543 6.682 1.00 0.00 N ATOM 1152 CA SER A 114 -11.099 6.322 8.139 1.00 0.00 C ATOM 1153 C SER A 114 -12.596 6.165 8.409 1.00 0.00 C ATOM 1154 O SER A 114 -13.425 6.693 7.694 1.00 0.00 O ATOM 1155 CB SER A 114 -10.563 7.520 8.923 1.00 0.00 C ATOM 1156 OG SER A 114 -10.840 7.339 10.305 1.00 0.00 O ATOM 0 H SER A 114 -10.490 7.453 6.435 1.00 0.00 H new ATOM 0 HA SER A 114 -10.575 5.419 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.489 7.621 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.025 8.440 8.565 1.00 0.00 H new ATOM 0 HG SER A 114 -10.496 8.105 10.811 1.00 0.00 H new ATOM 1162 N ILE A 115 -12.952 5.440 9.435 1.00 0.00 N ATOM 1163 CA ILE A 115 -14.397 5.250 9.748 1.00 0.00 C ATOM 1164 C ILE A 115 -15.052 6.609 10.000 1.00 0.00 C ATOM 1165 O ILE A 115 -16.238 6.700 10.248 1.00 0.00 O ATOM 1166 CB ILE A 115 -14.539 4.375 10.993 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -13.762 5.012 12.148 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -13.978 2.979 10.705 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -13.777 4.073 13.355 1.00 0.00 C ATOM 0 H ILE A 115 -12.305 4.972 10.069 1.00 0.00 H new ATOM 0 HA ILE A 115 -14.888 4.764 8.905 1.00 0.00 H new ATOM 0 HB ILE A 115 -15.592 4.291 11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.735 5.212 11.842 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -14.207 5.971 12.414 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -14.080 2.356 11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -14.530 2.528 9.880 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -12.925 3.059 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -13.223 4.528 14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -14.807 3.896 13.665 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -13.311 3.125 13.084 1.00 0.00 H new ATOM 1181 N ASP A 116 -14.291 7.668 9.940 1.00 0.00 N ATOM 1182 CA ASP A 116 -14.873 9.019 10.175 1.00 0.00 C ATOM 1183 C ASP A 116 -15.767 9.402 8.994 1.00 0.00 C ATOM 1184 O ASP A 116 -16.649 10.229 9.114 1.00 0.00 O ATOM 1185 CB ASP A 116 -13.743 10.042 10.315 1.00 0.00 C ATOM 1186 CG ASP A 116 -14.314 11.365 10.829 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -14.694 12.182 10.007 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -14.360 11.538 12.036 1.00 0.00 O ATOM 0 H ASP A 116 -13.291 7.655 9.738 1.00 0.00 H new ATOM 0 HA ASP A 116 -15.467 9.006 11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.984 9.670 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.254 10.194 9.353 1.00 0.00 H new ATOM 1193 N ASN A 117 -15.546 8.808 7.853 1.00 0.00 N ATOM 1194 CA ASN A 117 -16.383 9.139 6.666 1.00 0.00 C ATOM 1195 C ASN A 117 -16.078 8.157 5.536 1.00 0.00 C ATOM 1196 O ASN A 117 -14.937 7.845 5.261 1.00 0.00 O ATOM 1197 CB ASN A 117 -16.072 10.564 6.203 1.00 0.00 C ATOM 1198 CG ASN A 117 -17.158 11.036 5.234 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -17.089 10.770 4.050 1.00 0.00 O ATOM 1200 ND2 ASN A 117 -18.164 11.731 5.689 1.00 0.00 N ATOM 0 H ASN A 117 -14.822 8.108 7.692 1.00 0.00 H new ATOM 0 HA ASN A 117 -17.437 9.067 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -16.020 11.233 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -15.097 10.595 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -18.893 12.051 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -18.222 11.954 6.683 1.00 0.00 H new ATOM 1207 N GLY A 118 -17.092 7.666 4.877 1.00 0.00 N ATOM 1208 CA GLY A 118 -16.859 6.703 3.764 1.00 0.00 C ATOM 1209 C GLY A 118 -18.120 6.600 2.904 1.00 0.00 C ATOM 1210 O GLY A 118 -19.221 6.516 3.408 1.00 0.00 O ATOM 0 H GLY A 118 -18.070 7.890 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.017 7.032 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.599 5.723 4.165 1.00 0.00 H new ATOM 1214 N GLY A 119 -17.966 6.603 1.607 1.00 0.00 N ATOM 1215 CA GLY A 119 -19.157 6.505 0.714 1.00 0.00 C ATOM 1216 C GLY A 119 -19.583 5.041 0.587 1.00 0.00 C ATOM 1217 O GLY A 119 -20.697 4.739 0.205 1.00 0.00 O ATOM 0 H GLY A 119 -17.068 6.669 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -19.977 7.099 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -18.922 6.913 -0.269 1.00 0.00 H new ATOM 1221 N LEU A 120 -18.706 4.128 0.908 1.00 0.00 N ATOM 1222 CA LEU A 120 -19.063 2.684 0.806 1.00 0.00 C ATOM 1223 C LEU A 120 -19.529 2.372 -0.619 1.00 0.00 C ATOM 1224 O LEU A 120 -20.661 1.993 -0.842 1.00 0.00 O ATOM 1225 CB LEU A 120 -20.188 2.366 1.796 1.00 0.00 C ATOM 1226 CG LEU A 120 -19.899 3.040 3.139 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -20.986 2.656 4.145 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -18.534 2.578 3.662 1.00 0.00 C ATOM 0 H LEU A 120 -17.759 4.319 1.236 1.00 0.00 H new ATOM 0 HA LEU A 120 -18.190 2.075 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -21.142 2.715 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -20.273 1.288 1.930 1.00 0.00 H new ATOM 0 HG LEU A 120 -19.889 4.122 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -20.782 3.135 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -21.957 2.985 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -20.995 1.574 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -18.329 3.059 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -18.542 1.496 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -17.759 2.850 2.946 1.00 0.00 H new ATOM 1240 N ARG A 121 -18.664 2.530 -1.586 1.00 0.00 N ATOM 1241 CA ARG A 121 -19.057 2.243 -2.996 1.00 0.00 C ATOM 1242 C ARG A 121 -18.895 0.749 -3.281 1.00 0.00 C ATOM 1243 O ARG A 121 -19.731 -0.055 -2.921 1.00 0.00 O ATOM 1244 CB ARG A 121 -18.165 3.043 -3.945 1.00 0.00 C ATOM 1245 CG ARG A 121 -18.441 4.542 -3.769 1.00 0.00 C ATOM 1246 CD ARG A 121 -17.913 5.307 -4.981 1.00 0.00 C ATOM 1247 NE ARG A 121 -18.836 5.110 -6.134 1.00 0.00 N ATOM 1248 CZ ARG A 121 -18.759 5.895 -7.173 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -17.876 6.855 -7.202 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -19.567 5.721 -8.183 1.00 0.00 N ATOM 0 H ARG A 121 -17.702 2.845 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.098 2.528 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.116 2.830 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.356 2.746 -4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.511 4.714 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.962 4.906 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -17.829 6.368 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -16.913 4.957 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.528 4.361 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -17.245 6.992 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -17.816 7.469 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.258 4.971 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -19.507 6.335 -8.996 1.00 0.00 H new ATOM 1264 N PHE A 122 -17.825 0.368 -3.927 1.00 0.00 N ATOM 1265 CA PHE A 122 -17.615 -1.076 -4.235 1.00 0.00 C ATOM 1266 C PHE A 122 -16.134 -1.327 -4.531 1.00 0.00 C ATOM 1267 O PHE A 122 -15.316 -0.433 -4.455 1.00 0.00 O ATOM 1268 CB PHE A 122 -18.453 -1.462 -5.456 1.00 0.00 C ATOM 1269 CG PHE A 122 -18.432 -2.963 -5.629 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -19.226 -3.778 -4.799 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -17.620 -3.547 -6.621 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -19.207 -5.177 -4.961 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -17.602 -4.946 -6.783 1.00 0.00 C ATOM 1274 CZ PHE A 122 -18.395 -5.760 -5.953 1.00 0.00 C ATOM 0 H PHE A 122 -17.089 0.993 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 122 -17.919 -1.678 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -19.478 -1.114 -5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -18.059 -0.977 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -19.849 -3.331 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -17.011 -2.922 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -19.815 -5.803 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -16.980 -5.394 -7.544 1.00 0.00 H new ATOM 0 HZ PHE A 122 -18.381 -6.833 -6.077 1.00 0.00 H new ATOM 1284 N ASP A 123 -15.785 -2.538 -4.869 1.00 0.00 N ATOM 1285 CA ASP A 123 -14.358 -2.847 -5.169 1.00 0.00 C ATOM 1286 C ASP A 123 -13.922 -2.085 -6.424 1.00 0.00 C ATOM 1287 O ASP A 123 -14.251 -2.460 -7.532 1.00 0.00 O ATOM 1288 CB ASP A 123 -14.200 -4.351 -5.407 1.00 0.00 C ATOM 1289 CG ASP A 123 -12.739 -4.669 -5.729 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -11.943 -4.700 -4.805 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -12.441 -4.874 -6.893 1.00 0.00 O ATOM 0 H ASP A 123 -16.426 -3.327 -4.950 1.00 0.00 H new ATOM 0 HA ASP A 123 -13.737 -2.544 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.517 -4.905 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.842 -4.669 -6.229 1.00 0.00 H new ATOM 1296 N ARG A 124 -13.180 -1.023 -6.257 1.00 0.00 N ATOM 1297 CA ARG A 124 -12.718 -0.234 -7.434 1.00 0.00 C ATOM 1298 C ARG A 124 -11.497 0.576 -7.014 1.00 0.00 C ATOM 1299 O ARG A 124 -10.573 0.778 -7.776 1.00 0.00 O ATOM 1300 CB ARG A 124 -13.822 0.732 -7.884 1.00 0.00 C ATOM 1301 CG ARG A 124 -14.994 -0.048 -8.497 1.00 0.00 C ATOM 1302 CD ARG A 124 -15.918 0.906 -9.292 1.00 0.00 C ATOM 1303 NE ARG A 124 -17.354 0.637 -8.952 1.00 0.00 N ATOM 1304 CZ ARG A 124 -17.830 -0.581 -8.921 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -17.086 -1.592 -9.278 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -19.066 -0.784 -8.557 1.00 0.00 N ATOM 0 H ARG A 124 -12.873 -0.667 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 124 -12.475 -0.907 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -14.171 1.318 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -13.423 1.436 -8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -14.615 -0.830 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -15.562 -0.543 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -15.670 1.942 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -15.758 0.771 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 124 -17.972 1.420 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -16.126 -1.436 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -17.465 -2.539 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -19.658 0.006 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.441 -1.732 -8.532 1.00 0.00 H new ATOM 1320 N ASP A 125 -11.495 1.029 -5.793 1.00 0.00 N ATOM 1321 CA ASP A 125 -10.356 1.822 -5.268 1.00 0.00 C ATOM 1322 C ASP A 125 -10.541 1.904 -3.760 1.00 0.00 C ATOM 1323 O ASP A 125 -10.471 2.958 -3.159 1.00 0.00 O ATOM 1324 CB ASP A 125 -10.373 3.235 -5.869 1.00 0.00 C ATOM 1325 CG ASP A 125 -9.786 3.208 -7.283 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -8.889 2.416 -7.517 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -10.245 3.982 -8.107 1.00 0.00 O ATOM 0 H ASP A 125 -12.251 0.879 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 125 -9.405 1.357 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -11.394 3.615 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.797 3.914 -5.240 1.00 0.00 H new ATOM 1332 N GLU A 126 -10.823 0.788 -3.160 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.075 0.755 -1.701 1.00 0.00 C ATOM 1334 C GLU A 126 -9.852 1.193 -0.891 1.00 0.00 C ATOM 1335 O GLU A 126 -9.196 2.163 -1.213 1.00 0.00 O ATOM 1336 CB GLU A 126 -11.504 -0.653 -1.300 1.00 0.00 C ATOM 1337 CG GLU A 126 -12.507 -1.188 -2.328 1.00 0.00 C ATOM 1338 CD GLU A 126 -13.241 -2.399 -1.747 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -12.627 -3.132 -0.989 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -14.406 -2.572 -2.069 1.00 0.00 O ATOM 0 H GLU A 126 -10.890 -0.116 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.871 1.466 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -10.635 -1.309 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.955 -0.640 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.222 -0.409 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.989 -1.470 -3.245 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.587 0.486 0.182 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.441 0.808 1.107 1.00 0.00 C ATOM 1349 C ILE A 127 -7.308 1.520 0.353 1.00 0.00 C ATOM 1350 O ILE A 127 -6.382 0.917 -0.146 1.00 0.00 O ATOM 1351 CB ILE A 127 -7.948 -0.502 1.751 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.595 -0.286 2.470 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.812 -1.575 0.669 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.209 -1.533 3.294 1.00 0.00 C ATOM 0 H ILE A 127 -10.132 -0.327 0.467 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.779 1.490 1.887 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.674 -0.827 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.817 -0.074 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -6.660 0.583 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.463 -2.504 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.781 -1.741 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -7.095 -1.245 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.255 -1.359 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -6.978 -1.727 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -6.122 -2.394 2.632 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.394 2.817 0.260 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.347 3.592 -0.466 1.00 0.00 C ATOM 1368 C GLU A 128 -5.234 3.998 0.499 1.00 0.00 C ATOM 1369 O GLU A 128 -5.461 4.223 1.670 1.00 0.00 O ATOM 1370 CB GLU A 128 -6.975 4.844 -1.085 1.00 0.00 C ATOM 1371 CG GLU A 128 -7.903 5.516 -0.072 1.00 0.00 C ATOM 1372 CD GLU A 128 -8.392 6.848 -0.639 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -7.573 7.577 -1.175 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -9.576 7.118 -0.529 1.00 0.00 O ATOM 0 H GLU A 128 -8.148 3.378 0.657 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.923 2.970 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.194 5.539 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.534 4.576 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -8.751 4.868 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -7.376 5.680 0.868 1.00 0.00 H new ATOM 1381 N PHE A 129 -4.031 4.098 -0.001 1.00 0.00 N ATOM 1382 CA PHE A 129 -2.867 4.499 0.846 1.00 0.00 C ATOM 1383 C PHE A 129 -2.104 5.599 0.111 1.00 0.00 C ATOM 1384 O PHE A 129 -1.726 5.439 -1.032 1.00 0.00 O ATOM 1385 CB PHE A 129 -1.948 3.286 1.058 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.493 2.421 2.172 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.539 2.927 3.485 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -2.951 1.115 1.904 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -3.041 2.131 4.530 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.452 0.318 2.951 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.498 0.827 4.264 1.00 0.00 C ATOM 0 H PHE A 129 -3.801 3.916 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 129 -3.207 4.859 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.876 2.707 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -0.940 3.620 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.188 3.928 3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.918 0.726 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.076 2.521 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -3.801 -0.684 2.748 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.884 0.216 5.067 1.00 0.00 H new ATOM 1401 N SER A 130 -1.889 6.726 0.737 1.00 0.00 N ATOM 1402 CA SER A 130 -1.167 7.828 0.036 1.00 0.00 C ATOM 1403 C SER A 130 -0.391 8.694 1.028 1.00 0.00 C ATOM 1404 O SER A 130 -0.948 9.258 1.949 1.00 0.00 O ATOM 1405 CB SER A 130 -2.184 8.705 -0.695 1.00 0.00 C ATOM 1406 OG SER A 130 -1.530 9.861 -1.204 1.00 0.00 O ATOM 0 H SER A 130 -2.179 6.930 1.693 1.00 0.00 H new ATOM 0 HA SER A 130 -0.462 7.386 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.644 8.146 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.985 8.996 -0.015 1.00 0.00 H new ATOM 0 HG SER A 130 -2.180 10.424 -1.674 1.00 0.00 H new ATOM 1412 N HIS A 131 0.892 8.838 0.814 1.00 0.00 N ATOM 1413 CA HIS A 131 1.720 9.702 1.703 1.00 0.00 C ATOM 1414 C HIS A 131 2.882 10.271 0.849 1.00 0.00 C ATOM 1415 O HIS A 131 3.308 9.613 -0.077 1.00 0.00 O ATOM 1416 CB HIS A 131 2.241 8.886 2.896 1.00 0.00 C ATOM 1417 CG HIS A 131 3.177 7.807 2.439 1.00 0.00 C ATOM 1418 ND1 HIS A 131 4.543 8.000 2.391 1.00 0.00 N ATOM 1419 CD2 HIS A 131 2.967 6.506 2.053 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.103 6.845 1.995 1.00 0.00 C ATOM 1421 NE2 HIS A 131 4.186 5.899 1.774 1.00 0.00 N ATOM 0 H HIS A 131 1.404 8.389 0.054 1.00 0.00 H new ATOM 0 HA HIS A 131 1.131 10.523 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 131 2.754 9.545 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 131 1.402 8.442 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 131 2.002 6.027 1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 131 6.166 6.699 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 131 4.346 4.939 1.467 1.00 0.00 H new ATOM 1429 N PRO A 132 3.333 11.488 1.131 1.00 0.00 N ATOM 1430 CA PRO A 132 4.410 12.129 0.325 1.00 0.00 C ATOM 1431 C PRO A 132 5.769 11.394 0.420 1.00 0.00 C ATOM 1432 O PRO A 132 6.807 12.026 0.457 1.00 0.00 O ATOM 1433 CB PRO A 132 4.518 13.566 0.902 1.00 0.00 C ATOM 1434 CG PRO A 132 3.705 13.593 2.223 1.00 0.00 C ATOM 1435 CD PRO A 132 2.825 12.329 2.245 1.00 0.00 C ATOM 0 HA PRO A 132 4.165 12.106 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.560 13.829 1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 132 4.125 14.295 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 132 4.372 13.612 3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 132 3.089 14.491 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 132 2.904 11.809 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.773 12.578 2.104 1.00 0.00 H new ATOM 1443 N PHE A 133 5.806 10.083 0.434 1.00 0.00 N ATOM 1444 CA PHE A 133 7.139 9.397 0.499 1.00 0.00 C ATOM 1445 C PHE A 133 7.088 8.016 -0.172 1.00 0.00 C ATOM 1446 O PHE A 133 7.896 7.156 0.117 1.00 0.00 O ATOM 1447 CB PHE A 133 7.582 9.257 1.958 1.00 0.00 C ATOM 1448 CG PHE A 133 7.940 10.622 2.502 1.00 0.00 C ATOM 1449 CD1 PHE A 133 9.147 11.238 2.118 1.00 0.00 C ATOM 1450 CD2 PHE A 133 7.067 11.279 3.391 1.00 0.00 C ATOM 1451 CE1 PHE A 133 9.480 12.510 2.622 1.00 0.00 C ATOM 1452 CE2 PHE A 133 7.400 12.550 3.895 1.00 0.00 C ATOM 1453 CZ PHE A 133 8.606 13.166 3.511 1.00 0.00 C ATOM 0 H PHE A 133 4.992 9.469 0.404 1.00 0.00 H new ATOM 0 HA PHE A 133 7.862 10.007 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.783 8.814 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.440 8.588 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 133 9.817 10.735 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 133 6.141 10.807 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 133 10.405 12.983 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 133 6.730 13.053 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 133 8.861 14.141 3.898 1.00 0.00 H new ATOM 1463 N PHE A 134 6.171 7.793 -1.080 1.00 0.00 N ATOM 1464 CA PHE A 134 6.117 6.465 -1.772 1.00 0.00 C ATOM 1465 C PHE A 134 5.524 6.632 -3.173 1.00 0.00 C ATOM 1466 O PHE A 134 4.357 6.376 -3.395 1.00 0.00 O ATOM 1467 CB PHE A 134 5.259 5.484 -0.969 1.00 0.00 C ATOM 1468 CG PHE A 134 5.194 4.162 -1.697 1.00 0.00 C ATOM 1469 CD1 PHE A 134 6.323 3.322 -1.723 1.00 0.00 C ATOM 1470 CD2 PHE A 134 4.008 3.769 -2.349 1.00 0.00 C ATOM 1471 CE1 PHE A 134 6.268 2.089 -2.398 1.00 0.00 C ATOM 1472 CE2 PHE A 134 3.954 2.535 -3.026 1.00 0.00 C ATOM 1473 CZ PHE A 134 5.084 1.694 -3.050 1.00 0.00 C ATOM 0 H PHE A 134 5.462 8.466 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 134 7.130 6.071 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 134 5.682 5.344 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.255 5.887 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 134 7.232 3.624 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.141 4.413 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 134 7.135 1.445 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.046 2.233 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 134 5.042 0.747 -3.568 1.00 0.00 H new ATOM 1483 N LYS A 135 6.323 7.056 -4.125 1.00 0.00 N ATOM 1484 CA LYS A 135 5.821 7.240 -5.526 1.00 0.00 C ATOM 1485 C LYS A 135 6.799 6.574 -6.495 1.00 0.00 C ATOM 1486 O LYS A 135 7.730 5.907 -6.089 1.00 0.00 O ATOM 1487 CB LYS A 135 5.723 8.738 -5.868 1.00 0.00 C ATOM 1488 CG LYS A 135 4.933 9.500 -4.789 1.00 0.00 C ATOM 1489 CD LYS A 135 3.422 9.353 -5.029 1.00 0.00 C ATOM 1490 CE LYS A 135 2.610 9.744 -3.767 1.00 0.00 C ATOM 1491 NZ LYS A 135 1.653 8.648 -3.446 1.00 0.00 N ATOM 0 H LYS A 135 7.308 7.284 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 135 4.832 6.790 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 135 6.724 9.160 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.237 8.863 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.190 9.116 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.209 10.554 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.122 9.983 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.194 8.324 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.281 9.916 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.071 10.676 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.689 8.942 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.910 7.795 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.691 8.441 -2.427 1.00 0.00 H new ATOM 1505 N ARG A 136 6.595 6.745 -7.772 1.00 0.00 N ATOM 1506 CA ARG A 136 7.515 6.118 -8.763 1.00 0.00 C ATOM 1507 C ARG A 136 8.794 6.953 -8.873 1.00 0.00 C ATOM 1508 O ARG A 136 9.856 6.537 -8.454 1.00 0.00 O ATOM 1509 CB ARG A 136 6.822 6.047 -10.131 1.00 0.00 C ATOM 1510 CG ARG A 136 7.499 4.974 -11.002 1.00 0.00 C ATOM 1511 CD ARG A 136 7.275 5.278 -12.484 1.00 0.00 C ATOM 1512 NE ARG A 136 5.882 5.792 -12.701 1.00 0.00 N ATOM 1513 CZ ARG A 136 4.835 5.118 -12.304 1.00 0.00 C ATOM 1514 NH1 ARG A 136 4.962 3.895 -11.867 1.00 0.00 N ATOM 1515 NH2 ARG A 136 3.648 5.652 -12.397 1.00 0.00 N ATOM 0 H ARG A 136 5.832 7.291 -8.172 1.00 0.00 H new ATOM 0 HA ARG A 136 7.771 5.110 -8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 136 5.766 5.811 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 136 6.874 7.017 -10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 136 8.567 4.942 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 136 7.095 3.991 -10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 136 8.001 6.016 -12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 136 7.435 4.377 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 136 5.749 6.688 -13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.883 3.458 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.140 3.376 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.540 6.592 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.828 5.130 -12.088 1.00 0.00 H new ATOM 1529 N ASN A 137 8.701 8.127 -9.435 1.00 0.00 N ATOM 1530 CA ASN A 137 9.911 8.986 -9.572 1.00 0.00 C ATOM 1531 C ASN A 137 10.535 9.211 -8.194 1.00 0.00 C ATOM 1532 O ASN A 137 10.208 8.538 -7.236 1.00 0.00 O ATOM 1533 CB ASN A 137 9.515 10.333 -10.179 1.00 0.00 C ATOM 1534 CG ASN A 137 8.271 10.868 -9.467 1.00 0.00 C ATOM 1535 OD1 ASN A 137 7.698 10.196 -8.634 1.00 0.00 O ATOM 1536 ND2 ASN A 137 7.826 12.059 -9.764 1.00 0.00 N ATOM 0 H ASN A 137 7.839 8.528 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 137 10.634 8.494 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.336 11.043 -10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.316 10.219 -11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 137 6.997 12.425 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 137 8.308 12.623 -10.464 1.00 0.00 H new ATOM 1543 N SER A 138 11.432 10.153 -8.085 1.00 0.00 N ATOM 1544 CA SER A 138 12.076 10.417 -6.767 1.00 0.00 C ATOM 1545 C SER A 138 12.608 9.100 -6.182 1.00 0.00 C ATOM 1546 O SER A 138 12.050 8.588 -5.232 1.00 0.00 O ATOM 1547 CB SER A 138 11.043 11.016 -5.813 1.00 0.00 C ATOM 1548 OG SER A 138 10.567 12.245 -6.348 1.00 0.00 O ATOM 0 H SER A 138 11.746 10.750 -8.850 1.00 0.00 H new ATOM 0 HA SER A 138 12.903 11.115 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 138 10.214 10.322 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.489 11.181 -4.832 1.00 0.00 H new ATOM 0 HG SER A 138 9.903 12.631 -5.740 1.00 0.00 H new ATOM 1554 N PRO A 139 13.664 8.580 -6.767 1.00 0.00 N ATOM 1555 CA PRO A 139 14.266 7.315 -6.301 1.00 0.00 C ATOM 1556 C PRO A 139 14.964 7.525 -4.944 1.00 0.00 C ATOM 1557 O PRO A 139 16.002 6.949 -4.680 1.00 0.00 O ATOM 1558 CB PRO A 139 15.282 6.937 -7.409 1.00 0.00 C ATOM 1559 CG PRO A 139 15.364 8.138 -8.397 1.00 0.00 C ATOM 1560 CD PRO A 139 14.333 9.192 -7.937 1.00 0.00 C ATOM 0 HA PRO A 139 13.529 6.527 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.261 6.728 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 139 14.964 6.033 -7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 139 16.368 8.562 -8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 139 15.150 7.812 -9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 139 14.819 10.130 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 139 13.618 9.418 -8.728 1.00 0.00 H new ATOM 1568 N PHE A 140 14.405 8.344 -4.082 1.00 0.00 N ATOM 1569 CA PHE A 140 15.040 8.589 -2.745 1.00 0.00 C ATOM 1570 C PHE A 140 13.974 8.549 -1.641 1.00 0.00 C ATOM 1571 O PHE A 140 14.283 8.647 -0.470 1.00 0.00 O ATOM 1572 CB PHE A 140 15.746 9.957 -2.758 1.00 0.00 C ATOM 1573 CG PHE A 140 14.744 11.079 -2.584 1.00 0.00 C ATOM 1574 CD1 PHE A 140 14.120 11.654 -3.708 1.00 0.00 C ATOM 1575 CD2 PHE A 140 14.437 11.549 -1.292 1.00 0.00 C ATOM 1576 CE1 PHE A 140 13.190 12.698 -3.540 1.00 0.00 C ATOM 1577 CE2 PHE A 140 13.507 12.592 -1.124 1.00 0.00 C ATOM 1578 CZ PHE A 140 12.883 13.167 -2.247 1.00 0.00 C ATOM 0 H PHE A 140 13.537 8.853 -4.247 1.00 0.00 H new ATOM 0 HA PHE A 140 15.775 7.809 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 140 16.486 9.997 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 140 16.283 10.085 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 140 14.355 11.294 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 140 14.916 11.109 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 140 12.712 13.139 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 140 13.272 12.951 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 140 12.169 13.967 -2.118 1.00 0.00 H new ATOM 1588 N LEU A 141 12.726 8.404 -1.999 1.00 0.00 N ATOM 1589 CA LEU A 141 11.661 8.356 -0.954 1.00 0.00 C ATOM 1590 C LEU A 141 11.782 7.052 -0.164 1.00 0.00 C ATOM 1591 O LEU A 141 11.758 7.045 1.050 1.00 0.00 O ATOM 1592 CB LEU A 141 10.279 8.418 -1.608 1.00 0.00 C ATOM 1593 CG LEU A 141 10.203 9.590 -2.591 1.00 0.00 C ATOM 1594 CD1 LEU A 141 8.818 9.605 -3.249 1.00 0.00 C ATOM 1595 CD2 LEU A 141 10.430 10.911 -1.844 1.00 0.00 C ATOM 0 H LEU A 141 12.399 8.317 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 141 11.782 9.209 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.075 7.483 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.512 8.528 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 141 10.973 9.475 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 141 8.757 10.437 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 141 8.659 8.668 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.052 9.720 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.375 11.741 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.663 11.033 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 141 11.413 10.899 -1.374 1.00 0.00 H new ATOM 1607 N LEU A 142 11.911 5.945 -0.843 1.00 0.00 N ATOM 1608 CA LEU A 142 12.030 4.642 -0.133 1.00 0.00 C ATOM 1609 C LEU A 142 13.069 4.757 0.985 1.00 0.00 C ATOM 1610 O LEU A 142 12.835 4.355 2.107 1.00 0.00 O ATOM 1611 CB LEU A 142 12.473 3.568 -1.128 1.00 0.00 C ATOM 1612 CG LEU A 142 11.492 3.508 -2.306 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.081 2.628 -3.409 1.00 0.00 C ATOM 1614 CD2 LEU A 142 10.146 2.921 -1.847 1.00 0.00 C ATOM 0 H LEU A 142 11.939 5.888 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 142 11.066 4.373 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 142 13.477 3.789 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 142 12.519 2.598 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 142 11.327 4.517 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 142 11.387 2.583 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.028 3.050 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 142 12.248 1.623 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 142 9.458 2.884 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 142 10.301 1.914 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 142 9.724 3.549 -1.063 1.00 0.00 H new ATOM 1626 N ASP A 143 14.216 5.299 0.683 1.00 0.00 N ATOM 1627 CA ASP A 143 15.273 5.437 1.723 1.00 0.00 C ATOM 1628 C ASP A 143 14.889 6.541 2.712 1.00 0.00 C ATOM 1629 O ASP A 143 15.734 7.259 3.211 1.00 0.00 O ATOM 1630 CB ASP A 143 16.601 5.795 1.052 1.00 0.00 C ATOM 1631 CG ASP A 143 17.724 5.756 2.090 1.00 0.00 C ATOM 1632 OD1 ASP A 143 17.749 4.821 2.873 1.00 0.00 O ATOM 1633 OD2 ASP A 143 18.540 6.663 2.084 1.00 0.00 O ATOM 0 H ASP A 143 14.467 5.653 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 143 15.374 4.494 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 143 16.813 5.094 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 143 16.539 6.787 0.605 1.00 0.00 H new ATOM 1638 N GLN A 144 13.620 6.685 3.003 1.00 0.00 N ATOM 1639 CA GLN A 144 13.178 7.745 3.963 1.00 0.00 C ATOM 1640 C GLN A 144 12.030 7.215 4.828 1.00 0.00 C ATOM 1641 O GLN A 144 11.809 7.679 5.928 1.00 0.00 O ATOM 1642 CB GLN A 144 12.702 8.973 3.183 1.00 0.00 C ATOM 1643 CG GLN A 144 12.467 10.132 4.152 1.00 0.00 C ATOM 1644 CD GLN A 144 12.223 11.418 3.361 1.00 0.00 C ATOM 1645 OE1 GLN A 144 12.200 11.373 2.057 1.00 0.00 O flip ATOM 1646 NE2 GLN A 144 12.054 12.475 3.936 1.00 0.00 N flip ATOM 0 H GLN A 144 12.869 6.113 2.617 1.00 0.00 H new ATOM 0 HA GLN A 144 14.015 8.021 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 144 13.445 9.254 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 144 11.782 8.742 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 144 11.610 9.918 4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 144 13.330 10.253 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 144 12.072 12.510 4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 144 11.894 13.328 3.399 1.00 0.00 H new ATOM 1655 N ILE A 145 11.296 6.248 4.345 1.00 0.00 N ATOM 1656 CA ILE A 145 10.168 5.697 5.150 1.00 0.00 C ATOM 1657 C ILE A 145 10.735 4.846 6.292 1.00 0.00 C ATOM 1658 O ILE A 145 11.565 3.986 6.079 1.00 0.00 O ATOM 1659 CB ILE A 145 9.269 4.826 4.261 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.031 5.527 2.918 1.00 0.00 C ATOM 1661 CG2 ILE A 145 7.924 4.596 4.962 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.181 4.629 2.017 1.00 0.00 C ATOM 0 H ILE A 145 11.429 5.817 3.430 1.00 0.00 H new ATOM 0 HA ILE A 145 9.578 6.518 5.558 1.00 0.00 H new ATOM 0 HB ILE A 145 9.758 3.868 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.528 6.481 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.984 5.746 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.286 3.978 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.091 4.092 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.438 5.555 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.012 5.127 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.702 3.687 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.223 4.433 2.499 1.00 0.00 H new ATOM 1674 N LYS A 146 10.298 5.078 7.503 1.00 0.00 N ATOM 1675 CA LYS A 146 10.820 4.279 8.656 1.00 0.00 C ATOM 1676 C LYS A 146 9.740 4.167 9.738 1.00 0.00 C ATOM 1677 O LYS A 146 8.612 4.576 9.550 1.00 0.00 O ATOM 1678 CB LYS A 146 12.071 4.965 9.231 1.00 0.00 C ATOM 1679 CG LYS A 146 11.926 6.488 9.134 1.00 0.00 C ATOM 1680 CD LYS A 146 10.637 6.936 9.831 1.00 0.00 C ATOM 1681 CE LYS A 146 10.693 8.443 10.095 1.00 0.00 C ATOM 1682 NZ LYS A 146 11.172 9.144 8.872 1.00 0.00 N ATOM 0 H LYS A 146 9.603 5.785 7.745 1.00 0.00 H new ATOM 0 HA LYS A 146 11.085 3.278 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.212 4.670 10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 146 12.957 4.640 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 146 12.786 6.974 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.909 6.794 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 146 9.774 6.697 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 146 10.513 6.396 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 146 9.706 8.811 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 146 11.360 8.652 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 10.898 10.146 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 12.208 9.070 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 10.745 8.706 8.031 1.00 0.00 H new ATOM 1696 N ARG A 147 10.083 3.613 10.873 1.00 0.00 N ATOM 1697 CA ARG A 147 9.088 3.470 11.976 1.00 0.00 C ATOM 1698 C ARG A 147 9.106 4.723 12.852 1.00 0.00 C ATOM 1699 O ARG A 147 10.070 5.462 12.875 1.00 0.00 O ATOM 1700 CB ARG A 147 9.444 2.251 12.827 1.00 0.00 C ATOM 1701 CG ARG A 147 8.353 2.025 13.882 1.00 0.00 C ATOM 1702 CD ARG A 147 8.448 0.598 14.418 1.00 0.00 C ATOM 1703 NE ARG A 147 7.875 -0.347 13.419 1.00 0.00 N ATOM 1704 CZ ARG A 147 8.120 -1.625 13.516 1.00 0.00 C ATOM 1705 NH1 ARG A 147 8.871 -2.074 14.483 1.00 0.00 N ATOM 1706 NH2 ARG A 147 7.613 -2.453 12.644 1.00 0.00 N ATOM 0 H ARG A 147 11.014 3.252 11.083 1.00 0.00 H new ATOM 0 HA ARG A 147 8.093 3.341 11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.541 1.369 12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.408 2.403 13.313 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.468 2.739 14.697 1.00 0.00 H new ATOM 0 HG3 ARG A 147 7.369 2.196 13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 147 9.488 0.343 14.621 1.00 0.00 H new ATOM 0 HD3 ARG A 147 7.910 0.516 15.362 1.00 0.00 H new ATOM 0 HE ARG A 147 7.292 0.005 12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.267 -1.426 15.164 1.00 0.00 H new ATOM 0 HH12 ARG A 147 9.062 -3.073 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 147 7.026 -2.101 11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 147 7.804 -3.452 12.719 1.00 0.00 H new ATOM 1720 N LYS A 148 8.045 4.969 13.576 1.00 0.00 N ATOM 1721 CA LYS A 148 7.991 6.172 14.455 1.00 0.00 C ATOM 1722 C LYS A 148 7.181 5.846 15.712 1.00 0.00 C ATOM 1723 O LYS A 148 6.832 4.709 15.959 1.00 0.00 O ATOM 1724 CB LYS A 148 7.319 7.321 13.702 1.00 0.00 C ATOM 1725 CG LYS A 148 7.512 8.621 14.481 1.00 0.00 C ATOM 1726 CD LYS A 148 6.567 9.693 13.934 1.00 0.00 C ATOM 1727 CE LYS A 148 6.798 9.865 12.432 1.00 0.00 C ATOM 1728 NZ LYS A 148 8.259 9.830 12.146 1.00 0.00 N ATOM 0 H LYS A 148 7.210 4.384 13.595 1.00 0.00 H new ATOM 0 HA LYS A 148 9.003 6.463 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 148 7.747 7.416 12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 148 6.256 7.115 13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 148 7.315 8.455 15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 148 8.546 8.956 14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 148 5.532 9.409 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 148 6.737 10.639 14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 148 6.290 9.073 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 148 6.373 10.810 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 8.455 10.361 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 8.778 10.262 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 8.566 8.843 12.028 1.00 0.00 H new TER 1742 LYS A 148