USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 8 GLN : amide:sc= -0.83 K(o=-0.88,f=-5) USER MOD Set 1.2: A 20 MET CE :methyl -149:sc= -0.28 (180deg=-1) USER MOD Set 1.3: A 80 LYS NZ :NH3+ 162:sc= 0.231 (180deg=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -116:sc= 0.0033 (180deg=0) USER MOD Set 2.2: A 81 MET CE :methyl 161:sc= -0.0701 (180deg=-0.44) USER MOD Set 3.1: A 59 SER OG : rot 52:sc= -1.08 USER MOD Set 3.2: A 66 SER OG : rot 160:sc= -0.0461 USER MOD Set 4.1: A 49 SER OG : rot -87:sc= 1.48 USER MOD Set 4.2: A 51 CYS SG : rot 75:sc= -9.93! USER MOD Single : A 6 SER OG : rot 4:sc= 2.31 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.581 USER MOD Single : A 19 SER OG : rot -156:sc= -0.0268 USER MOD Single : A 21 THR OG1 : rot 70:sc= 0.0359 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 30 MET CE :methyl -148:sc= -3.13 (180deg=-5.22!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 43 ASN : amide:sc= -0.0254 K(o=-0.025,f=-3.1!) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.623) USER MOD Single : A 46 GLN : amide:sc= -0.12 K(o=-0.12,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.016) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= 1.05 (180deg=0.762) USER MOD Single : A 54 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.49) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -21:sc= 1.34 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -75:sc= 0.252 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 82 MET CE :methyl -161:sc= -1.54 (180deg=-1.87!) USER MOD Single : A 88 SER OG : rot 91:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 17.976 4.938 4.852 1.00 0.00 N ATOM 2 CA ILE A 5 18.135 5.341 3.459 1.00 0.00 C ATOM 3 C ILE A 5 16.815 5.186 2.697 1.00 0.00 C ATOM 4 O ILE A 5 16.678 5.654 1.562 1.00 0.00 O ATOM 5 CB ILE A 5 19.257 4.519 2.772 1.00 0.00 C ATOM 6 CG1 ILE A 5 19.619 5.111 1.407 1.00 0.00 C ATOM 7 CG2 ILE A 5 18.853 3.059 2.627 1.00 0.00 C ATOM 8 CD1 ILE A 5 20.238 6.487 1.490 1.00 0.00 C ATOM 0 HA ILE A 5 18.422 6.392 3.442 1.00 0.00 H new ATOM 0 HB ILE A 5 20.139 4.569 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 5 20.313 4.439 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 5 18.720 5.162 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.657 2.505 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 5 18.663 2.634 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 5 17.949 2.990 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.468 6.843 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 5 19.538 7.173 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 5 21.155 6.439 2.077 1.00 0.00 H new ATOM 20 N SER A 6 15.845 4.539 3.355 1.00 0.00 N ATOM 21 CA SER A 6 14.506 4.301 2.809 1.00 0.00 C ATOM 22 C SER A 6 14.567 3.563 1.471 1.00 0.00 C ATOM 23 O SER A 6 15.582 2.944 1.141 1.00 0.00 O ATOM 24 CB SER A 6 13.717 5.617 2.686 1.00 0.00 C ATOM 25 OG SER A 6 14.286 6.494 1.730 1.00 0.00 O ATOM 0 H SER A 6 15.971 4.162 4.294 1.00 0.00 H new ATOM 0 HA SER A 6 13.975 3.657 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.687 5.396 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.685 6.112 3.657 1.00 0.00 H new ATOM 0 HG SER A 6 15.045 6.054 1.293 1.00 0.00 H new ATOM 31 N SER A 7 13.466 3.618 0.725 1.00 0.00 N ATOM 32 CA SER A 7 13.328 2.900 -0.531 1.00 0.00 C ATOM 33 C SER A 7 13.418 1.388 -0.302 1.00 0.00 C ATOM 34 O SER A 7 13.339 0.926 0.838 1.00 0.00 O ATOM 35 CB SER A 7 14.378 3.360 -1.550 1.00 0.00 C ATOM 36 OG SER A 7 14.197 4.727 -1.892 1.00 0.00 O ATOM 0 H SER A 7 12.644 4.165 0.979 1.00 0.00 H new ATOM 0 HA SER A 7 12.344 3.127 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.377 3.215 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.311 2.746 -2.448 1.00 0.00 H new ATOM 0 HG SER A 7 14.880 4.995 -2.541 1.00 0.00 H new ATOM 42 N GLN A 8 13.540 0.626 -1.379 1.00 0.00 N ATOM 43 CA GLN A 8 13.675 -0.822 -1.280 1.00 0.00 C ATOM 44 C GLN A 8 14.969 -1.223 -0.589 1.00 0.00 C ATOM 45 O GLN A 8 16.065 -1.063 -1.136 1.00 0.00 O ATOM 46 CB GLN A 8 13.611 -1.477 -2.657 1.00 0.00 C ATOM 47 CG GLN A 8 12.212 -1.519 -3.249 1.00 0.00 C ATOM 48 CD GLN A 8 12.164 -2.160 -4.625 1.00 0.00 C ATOM 49 OE1 GLN A 8 11.289 -1.855 -5.434 1.00 0.00 O ATOM 50 NE2 GLN A 8 13.110 -3.040 -4.911 1.00 0.00 N ATOM 0 H GLN A 8 13.548 0.986 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 8 12.838 -1.173 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.268 -0.936 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.996 -2.494 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.556 -2.070 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.821 -0.503 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.820 -3.269 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.129 -3.489 -5.827 1.00 0.00 H new ATOM 59 N LEU A 9 14.831 -1.737 0.618 1.00 0.00 N ATOM 60 CA LEU A 9 15.939 -2.327 1.332 1.00 0.00 C ATOM 61 C LEU A 9 16.089 -3.774 0.898 1.00 0.00 C ATOM 62 O LEU A 9 15.097 -4.498 0.809 1.00 0.00 O ATOM 63 CB LEU A 9 15.701 -2.268 2.842 1.00 0.00 C ATOM 64 CG LEU A 9 15.395 -0.878 3.403 1.00 0.00 C ATOM 65 CD1 LEU A 9 15.108 -0.960 4.892 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.547 0.080 3.135 1.00 0.00 C ATOM 0 H LEU A 9 13.948 -1.756 1.128 1.00 0.00 H new ATOM 0 HA LEU A 9 16.847 -1.769 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.872 -2.932 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.584 -2.659 3.348 1.00 0.00 H new ATOM 0 HG LEU A 9 14.509 -0.494 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.892 0.037 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.248 -1.608 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.977 -1.368 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.306 1.062 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.453 -0.298 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.708 0.163 2.060 1.00 0.00 H new ATOM 78 N GLY A 10 17.311 -4.186 0.607 1.00 0.00 N ATOM 79 CA GLY A 10 17.550 -5.565 0.224 1.00 0.00 C ATOM 80 C GLY A 10 18.525 -6.273 1.148 1.00 0.00 C ATOM 81 O GLY A 10 19.699 -6.435 0.803 1.00 0.00 O ATOM 0 H GLY A 10 18.142 -3.594 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.603 -6.105 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.937 -5.592 -0.795 1.00 0.00 H new ATOM 85 N PRO A 11 18.080 -6.685 2.347 1.00 0.00 N ATOM 86 CA PRO A 11 18.914 -7.430 3.285 1.00 0.00 C ATOM 87 C PRO A 11 18.984 -8.919 2.940 1.00 0.00 C ATOM 88 O PRO A 11 20.062 -9.473 2.719 1.00 0.00 O ATOM 89 CB PRO A 11 18.210 -7.230 4.641 1.00 0.00 C ATOM 90 CG PRO A 11 17.042 -6.329 4.376 1.00 0.00 C ATOM 91 CD PRO A 11 16.749 -6.438 2.908 1.00 0.00 C ATOM 0 HA PRO A 11 19.946 -7.080 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.880 -8.184 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.888 -6.785 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.177 -6.629 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.275 -5.300 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.057 -7.252 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.303 -5.526 2.513 1.00 0.00 H new ATOM 99 N ILE A 12 17.823 -9.561 2.890 1.00 0.00 N ATOM 100 CA ILE A 12 17.746 -10.983 2.592 1.00 0.00 C ATOM 101 C ILE A 12 17.155 -11.208 1.204 1.00 0.00 C ATOM 102 O ILE A 12 16.479 -10.336 0.657 1.00 0.00 O ATOM 103 CB ILE A 12 16.909 -11.763 3.640 1.00 0.00 C ATOM 104 CG1 ILE A 12 15.460 -11.246 3.721 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.581 -11.697 5.006 1.00 0.00 C ATOM 106 CD1 ILE A 12 15.293 -9.952 4.497 1.00 0.00 C ATOM 0 H ILE A 12 16.920 -9.116 3.053 1.00 0.00 H new ATOM 0 HA ILE A 12 18.766 -11.365 2.627 1.00 0.00 H new ATOM 0 HB ILE A 12 16.862 -12.803 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.084 -11.098 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.839 -12.014 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.984 -12.248 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.575 -12.139 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.665 -10.657 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.242 -9.664 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.635 -10.096 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.883 -9.166 4.025 1.00 0.00 H new ATOM 118 N HIS A 13 17.442 -12.372 0.636 1.00 0.00 N ATOM 119 CA HIS A 13 17.006 -12.713 -0.718 1.00 0.00 C ATOM 120 C HIS A 13 15.634 -13.432 -0.768 1.00 0.00 C ATOM 121 O HIS A 13 14.985 -13.395 -1.815 1.00 0.00 O ATOM 122 CB HIS A 13 18.074 -13.566 -1.409 1.00 0.00 C ATOM 123 CG HIS A 13 17.886 -13.671 -2.894 1.00 0.00 C ATOM 124 ND1 HIS A 13 18.145 -12.630 -3.757 1.00 0.00 N ATOM 125 CD2 HIS A 13 17.460 -14.698 -3.667 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.879 -13.005 -4.993 1.00 0.00 C ATOM 127 NE2 HIS A 13 17.462 -14.256 -4.967 1.00 0.00 N ATOM 0 H HIS A 13 17.981 -13.106 1.096 1.00 0.00 H new ATOM 0 HA HIS A 13 16.874 -11.769 -1.248 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.056 -13.141 -1.204 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.064 -14.567 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.172 -15.681 -3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.985 -12.392 -5.876 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.186 -14.806 -5.781 1.00 0.00 H new ATOM 136 N PRO A 14 15.210 -14.170 0.301 1.00 0.00 N ATOM 137 CA PRO A 14 13.844 -14.716 0.422 1.00 0.00 C ATOM 138 C PRO A 14 12.725 -13.804 -0.119 1.00 0.00 C ATOM 139 O PRO A 14 12.937 -12.620 -0.366 1.00 0.00 O ATOM 140 CB PRO A 14 13.696 -14.868 1.933 1.00 0.00 C ATOM 141 CG PRO A 14 15.058 -15.213 2.420 1.00 0.00 C ATOM 142 CD PRO A 14 16.043 -14.645 1.425 1.00 0.00 C ATOM 0 HA PRO A 14 13.736 -15.627 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.336 -13.946 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.978 -15.649 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.229 -14.796 3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.175 -16.293 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.621 -13.830 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.756 -15.402 1.097 1.00 0.00 H new ATOM 150 N PRO A 15 11.505 -14.360 -0.290 1.00 0.00 N ATOM 151 CA PRO A 15 10.332 -13.624 -0.802 1.00 0.00 C ATOM 152 C PRO A 15 10.141 -12.238 -0.166 1.00 0.00 C ATOM 153 O PRO A 15 10.557 -11.998 0.973 1.00 0.00 O ATOM 154 CB PRO A 15 9.172 -14.547 -0.429 1.00 0.00 C ATOM 155 CG PRO A 15 9.754 -15.911 -0.493 1.00 0.00 C ATOM 156 CD PRO A 15 11.171 -15.772 -0.003 1.00 0.00 C ATOM 0 HA PRO A 15 10.426 -13.411 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.790 -14.324 0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.338 -14.437 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.191 -16.607 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.728 -16.301 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.250 -15.994 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.843 -16.456 -0.522 1.00 0.00 H new ATOM 164 N PRO A 16 9.484 -11.316 -0.905 1.00 0.00 N ATOM 165 CA PRO A 16 9.310 -9.898 -0.513 1.00 0.00 C ATOM 166 C PRO A 16 8.467 -9.692 0.747 1.00 0.00 C ATOM 167 O PRO A 16 8.038 -8.574 1.037 1.00 0.00 O ATOM 168 CB PRO A 16 8.598 -9.281 -1.726 1.00 0.00 C ATOM 169 CG PRO A 16 7.932 -10.429 -2.390 1.00 0.00 C ATOM 170 CD PRO A 16 8.866 -11.586 -2.210 1.00 0.00 C ATOM 0 HA PRO A 16 10.271 -9.447 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.874 -8.526 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.306 -8.792 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.961 -10.634 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.757 -10.225 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.334 -12.538 -2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.609 -11.632 -3.006 1.00 0.00 H new ATOM 178 N ARG A 17 8.217 -10.767 1.483 1.00 0.00 N ATOM 179 CA ARG A 17 7.513 -10.686 2.753 1.00 0.00 C ATOM 180 C ARG A 17 8.339 -9.895 3.765 1.00 0.00 C ATOM 181 O ARG A 17 7.798 -9.317 4.708 1.00 0.00 O ATOM 182 CB ARG A 17 7.213 -12.092 3.288 1.00 0.00 C ATOM 183 CG ARG A 17 8.426 -13.012 3.312 1.00 0.00 C ATOM 184 CD ARG A 17 8.082 -14.388 3.863 1.00 0.00 C ATOM 185 NE ARG A 17 6.992 -15.030 3.126 1.00 0.00 N ATOM 186 CZ ARG A 17 7.043 -16.273 2.646 1.00 0.00 C ATOM 187 NH1 ARG A 17 8.164 -16.982 2.738 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.976 -16.797 2.057 1.00 0.00 N ATOM 0 H ARG A 17 8.495 -11.712 1.218 1.00 0.00 H new ATOM 0 HA ARG A 17 6.567 -10.168 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.812 -12.008 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.436 -12.546 2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.825 -13.114 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.211 -12.563 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.967 -15.023 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.802 -14.296 4.912 1.00 0.00 H new ATOM 0 HE ARG A 17 6.139 -14.492 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.990 -16.575 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.198 -17.932 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.120 -16.249 1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.012 -17.748 1.689 1.00 0.00 H new ATOM 202 N THR A 18 9.650 -9.870 3.552 1.00 0.00 N ATOM 203 CA THR A 18 10.544 -9.126 4.426 1.00 0.00 C ATOM 204 C THR A 18 11.828 -8.700 3.704 1.00 0.00 C ATOM 205 O THR A 18 12.641 -7.964 4.263 1.00 0.00 O ATOM 206 CB THR A 18 10.907 -9.958 5.678 1.00 0.00 C ATOM 207 OG1 THR A 18 11.715 -9.186 6.579 1.00 0.00 O ATOM 208 CG2 THR A 18 11.645 -11.234 5.289 1.00 0.00 C ATOM 0 H THR A 18 10.114 -10.355 2.784 1.00 0.00 H new ATOM 0 HA THR A 18 10.010 -8.226 4.732 1.00 0.00 H new ATOM 0 HB THR A 18 9.978 -10.231 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.139 -8.451 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.889 -11.801 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.011 -11.838 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.564 -10.977 4.762 1.00 0.00 H new ATOM 216 N SER A 19 12.013 -9.143 2.464 1.00 0.00 N ATOM 217 CA SER A 19 13.240 -8.844 1.744 1.00 0.00 C ATOM 218 C SER A 19 13.216 -7.438 1.165 1.00 0.00 C ATOM 219 O SER A 19 13.603 -6.486 1.841 1.00 0.00 O ATOM 220 CB SER A 19 13.486 -9.871 0.643 1.00 0.00 C ATOM 221 OG SER A 19 12.348 -10.019 -0.183 1.00 0.00 O ATOM 0 H SER A 19 11.337 -9.703 1.945 1.00 0.00 H new ATOM 0 HA SER A 19 14.062 -8.898 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.339 -9.563 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.742 -10.832 1.089 1.00 0.00 H new ATOM 0 HG SER A 19 12.366 -10.901 -0.610 1.00 0.00 H new ATOM 227 N MET A 20 12.739 -7.318 -0.069 1.00 0.00 N ATOM 228 CA MET A 20 12.669 -6.032 -0.752 1.00 0.00 C ATOM 229 C MET A 20 11.597 -5.143 -0.127 1.00 0.00 C ATOM 230 O MET A 20 10.507 -4.964 -0.673 1.00 0.00 O ATOM 231 CB MET A 20 12.401 -6.225 -2.251 1.00 0.00 C ATOM 232 CG MET A 20 11.243 -7.161 -2.557 1.00 0.00 C ATOM 233 SD MET A 20 10.745 -7.114 -4.291 1.00 0.00 S ATOM 234 CE MET A 20 10.193 -5.416 -4.435 1.00 0.00 C ATOM 0 H MET A 20 12.392 -8.103 -0.620 1.00 0.00 H new ATOM 0 HA MET A 20 13.633 -5.537 -0.637 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.198 -5.253 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.303 -6.613 -2.724 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.526 -8.180 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.391 -6.894 -1.932 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.396 -5.354 -5.176 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.820 -5.072 -3.470 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.027 -4.787 -4.747 1.00 0.00 H new ATOM 244 N THR A 21 11.926 -4.589 1.025 1.00 0.00 N ATOM 245 CA THR A 21 11.020 -3.718 1.738 1.00 0.00 C ATOM 246 C THR A 21 11.147 -2.307 1.194 1.00 0.00 C ATOM 247 O THR A 21 12.195 -1.686 1.314 1.00 0.00 O ATOM 248 CB THR A 21 11.331 -3.724 3.248 1.00 0.00 C ATOM 249 OG1 THR A 21 11.398 -5.076 3.728 1.00 0.00 O ATOM 250 CG2 THR A 21 10.274 -2.958 4.030 1.00 0.00 C ATOM 0 H THR A 21 12.824 -4.731 1.488 1.00 0.00 H new ATOM 0 HA THR A 21 10.001 -4.079 1.596 1.00 0.00 H new ATOM 0 HB THR A 21 12.293 -3.233 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.198 -5.512 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.520 -2.980 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.244 -1.924 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.299 -3.421 3.874 1.00 0.00 H new ATOM 258 N GLU A 22 10.081 -1.799 0.610 1.00 0.00 N ATOM 259 CA GLU A 22 10.115 -0.482 -0.003 1.00 0.00 C ATOM 260 C GLU A 22 9.664 0.547 1.009 1.00 0.00 C ATOM 261 O GLU A 22 8.542 0.486 1.503 1.00 0.00 O ATOM 262 CB GLU A 22 9.183 -0.454 -1.223 1.00 0.00 C ATOM 263 CG GLU A 22 9.007 0.919 -1.867 1.00 0.00 C ATOM 264 CD GLU A 22 10.152 1.295 -2.779 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.135 0.882 -3.961 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.069 2.006 -2.328 1.00 0.00 O ATOM 0 H GLU A 22 9.181 -2.275 0.546 1.00 0.00 H new ATOM 0 HA GLU A 22 11.131 -0.255 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.570 -1.144 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.204 -0.826 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.078 0.931 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.911 1.672 -1.084 1.00 0.00 H new ATOM 273 N GLU A 23 10.539 1.470 1.340 1.00 0.00 N ATOM 274 CA GLU A 23 10.162 2.555 2.219 1.00 0.00 C ATOM 275 C GLU A 23 9.814 3.754 1.364 1.00 0.00 C ATOM 276 O GLU A 23 10.696 4.462 0.873 1.00 0.00 O ATOM 277 CB GLU A 23 11.303 2.907 3.174 1.00 0.00 C ATOM 278 CG GLU A 23 10.849 3.553 4.472 1.00 0.00 C ATOM 279 CD GLU A 23 10.217 2.556 5.421 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.960 1.753 6.022 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.979 2.570 5.574 1.00 0.00 O ATOM 0 H GLU A 23 11.507 1.492 1.018 1.00 0.00 H new ATOM 0 HA GLU A 23 9.306 2.255 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.860 2.000 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.992 3.582 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.703 4.023 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.133 4.344 4.250 1.00 0.00 H new ATOM 288 N TYR A 24 8.532 3.987 1.201 1.00 0.00 N ATOM 289 CA TYR A 24 8.073 4.992 0.273 1.00 0.00 C ATOM 290 C TYR A 24 7.828 6.312 0.987 1.00 0.00 C ATOM 291 O TYR A 24 7.039 6.381 1.931 1.00 0.00 O ATOM 292 CB TYR A 24 6.810 4.510 -0.438 1.00 0.00 C ATOM 293 CG TYR A 24 6.834 4.794 -1.917 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.390 6.007 -2.414 1.00 0.00 C ATOM 295 CD2 TYR A 24 7.323 3.854 -2.816 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.428 6.277 -3.766 1.00 0.00 C ATOM 297 CE2 TYR A 24 7.360 4.117 -4.171 1.00 0.00 C ATOM 298 CZ TYR A 24 6.913 5.331 -4.640 1.00 0.00 C ATOM 299 OH TYR A 24 6.961 5.608 -5.986 1.00 0.00 O ATOM 0 H TYR A 24 7.790 3.495 1.699 1.00 0.00 H new ATOM 0 HA TYR A 24 8.848 5.159 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.695 3.438 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.940 4.993 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.008 6.753 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.680 2.903 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.078 7.229 -4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.737 3.375 -4.858 1.00 0.00 H new ATOM 0 HH TYR A 24 7.330 4.837 -6.466 1.00 0.00 H new ATOM 309 N ARG A 25 8.531 7.348 0.546 1.00 0.00 N ATOM 310 CA ARG A 25 8.378 8.670 1.131 1.00 0.00 C ATOM 311 C ARG A 25 7.160 9.358 0.525 1.00 0.00 C ATOM 312 O ARG A 25 7.052 9.491 -0.694 1.00 0.00 O ATOM 313 CB ARG A 25 9.634 9.517 0.901 1.00 0.00 C ATOM 314 CG ARG A 25 10.939 8.788 1.191 1.00 0.00 C ATOM 315 CD ARG A 25 12.129 9.733 1.091 1.00 0.00 C ATOM 316 NE ARG A 25 13.408 9.049 1.285 1.00 0.00 N ATOM 317 CZ ARG A 25 14.588 9.671 1.385 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.667 10.992 1.287 1.00 0.00 N ATOM 319 NH2 ARG A 25 15.694 8.963 1.580 1.00 0.00 N ATOM 0 H ARG A 25 9.210 7.296 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 25 8.235 8.563 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.644 9.859 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.580 10.406 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.901 8.351 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.064 7.965 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.124 10.216 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.026 10.521 1.837 1.00 0.00 H new ATOM 0 HE ARG A 25 13.399 8.031 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.823 11.543 1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.572 11.456 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.643 7.947 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.595 9.435 1.657 1.00 0.00 H new ATOM 333 N VAL A 26 6.242 9.771 1.380 1.00 0.00 N ATOM 334 CA VAL A 26 4.981 10.353 0.949 1.00 0.00 C ATOM 335 C VAL A 26 4.643 11.586 1.789 1.00 0.00 C ATOM 336 O VAL A 26 4.571 11.508 3.008 1.00 0.00 O ATOM 337 CB VAL A 26 3.840 9.308 1.048 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.025 8.425 2.267 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.482 9.981 1.105 1.00 0.00 C ATOM 0 H VAL A 26 6.348 9.713 2.393 1.00 0.00 H new ATOM 0 HA VAL A 26 5.084 10.660 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 26 3.883 8.690 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.213 7.699 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.977 7.900 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.017 9.040 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.703 9.222 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.434 10.631 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.332 10.574 0.203 1.00 0.00 H new ATOM 349 N PRO A 27 4.423 12.740 1.140 1.00 0.00 N ATOM 350 CA PRO A 27 4.191 14.014 1.835 1.00 0.00 C ATOM 351 C PRO A 27 2.974 13.987 2.758 1.00 0.00 C ATOM 352 O PRO A 27 2.035 13.224 2.528 1.00 0.00 O ATOM 353 CB PRO A 27 3.969 15.017 0.702 1.00 0.00 C ATOM 354 CG PRO A 27 4.565 14.378 -0.501 1.00 0.00 C ATOM 355 CD PRO A 27 4.383 12.900 -0.318 1.00 0.00 C ATOM 0 HA PRO A 27 5.030 14.259 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.908 15.219 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.448 15.971 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.072 14.722 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.621 14.632 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.437 12.555 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.174 12.332 -0.808 1.00 0.00 H new ATOM 363 N ASP A 28 3.001 14.819 3.792 1.00 0.00 N ATOM 364 CA ASP A 28 1.978 14.810 4.842 1.00 0.00 C ATOM 365 C ASP A 28 0.550 14.847 4.278 1.00 0.00 C ATOM 366 O ASP A 28 -0.287 14.001 4.615 1.00 0.00 O ATOM 367 CB ASP A 28 2.214 15.985 5.793 1.00 0.00 C ATOM 368 CG ASP A 28 1.107 16.138 6.821 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.022 15.301 7.749 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.319 17.101 6.708 1.00 0.00 O ATOM 0 H ASP A 28 3.729 15.520 3.930 1.00 0.00 H new ATOM 0 HA ASP A 28 2.070 13.870 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.165 15.846 6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.296 16.905 5.214 1.00 0.00 H new ATOM 375 N GLY A 29 0.272 15.801 3.409 1.00 0.00 N ATOM 376 CA GLY A 29 -1.059 15.903 2.838 1.00 0.00 C ATOM 377 C GLY A 29 -1.354 14.770 1.874 1.00 0.00 C ATOM 378 O GLY A 29 -2.502 14.337 1.727 1.00 0.00 O ATOM 0 H GLY A 29 0.936 16.505 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.798 15.899 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.158 16.856 2.318 1.00 0.00 H new ATOM 382 N MET A 30 -0.313 14.258 1.242 1.00 0.00 N ATOM 383 CA MET A 30 -0.478 13.243 0.220 1.00 0.00 C ATOM 384 C MET A 30 -0.702 11.871 0.853 1.00 0.00 C ATOM 385 O MET A 30 -1.352 11.009 0.266 1.00 0.00 O ATOM 386 CB MET A 30 0.733 13.225 -0.712 1.00 0.00 C ATOM 387 CG MET A 30 0.536 12.364 -1.947 1.00 0.00 C ATOM 388 SD MET A 30 -0.955 12.791 -2.878 1.00 0.00 S ATOM 389 CE MET A 30 -0.549 14.419 -3.495 1.00 0.00 C ATOM 0 H MET A 30 0.654 14.529 1.419 1.00 0.00 H new ATOM 0 HA MET A 30 -1.360 13.487 -0.372 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.957 14.245 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.600 12.862 -0.161 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.405 12.467 -2.597 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.483 11.317 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.457 15.017 -3.568 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.150 14.903 -2.813 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.092 14.331 -4.481 1.00 0.00 H new ATOM 399 N VAL A 31 -0.180 11.666 2.060 1.00 0.00 N ATOM 400 CA VAL A 31 -0.477 10.445 2.801 1.00 0.00 C ATOM 401 C VAL A 31 -1.899 10.518 3.351 1.00 0.00 C ATOM 402 O VAL A 31 -2.551 9.499 3.568 1.00 0.00 O ATOM 403 CB VAL A 31 0.541 10.166 3.936 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.538 11.274 4.966 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.268 8.821 4.596 1.00 0.00 C ATOM 0 H VAL A 31 0.441 12.318 2.539 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.392 9.609 2.107 1.00 0.00 H new ATOM 0 HB VAL A 31 1.532 10.131 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.263 11.046 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.804 12.216 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.455 11.359 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.996 8.650 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.736 8.821 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.348 8.028 3.853 1.00 0.00 H new ATOM 415 N GLY A 32 -2.391 11.735 3.547 1.00 0.00 N ATOM 416 CA GLY A 32 -3.797 11.910 3.847 1.00 0.00 C ATOM 417 C GLY A 32 -4.655 11.539 2.652 1.00 0.00 C ATOM 418 O GLY A 32 -5.823 11.173 2.794 1.00 0.00 O ATOM 0 H GLY A 32 -1.846 12.596 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.070 11.292 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.987 12.946 4.129 1.00 0.00 H new ATOM 422 N LEU A 33 -4.068 11.632 1.463 1.00 0.00 N ATOM 423 CA LEU A 33 -4.755 11.231 0.241 1.00 0.00 C ATOM 424 C LEU A 33 -4.571 9.744 -0.074 1.00 0.00 C ATOM 425 O LEU A 33 -5.403 9.159 -0.763 1.00 0.00 O ATOM 426 CB LEU A 33 -4.278 12.057 -0.952 1.00 0.00 C ATOM 427 CG LEU A 33 -4.630 13.541 -0.910 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.146 14.221 -2.180 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.130 13.733 -0.734 1.00 0.00 C ATOM 0 H LEU A 33 -3.120 11.981 1.320 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.815 11.413 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.195 11.961 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.700 11.627 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.131 13.997 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.400 15.280 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.065 14.109 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.626 13.761 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.360 14.798 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.656 13.270 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.449 13.269 0.199 1.00 0.00 H new ATOM 441 N ILE A 34 -3.494 9.125 0.414 1.00 0.00 N ATOM 442 CA ILE A 34 -3.290 7.696 0.172 1.00 0.00 C ATOM 443 C ILE A 34 -4.306 6.906 0.985 1.00 0.00 C ATOM 444 O ILE A 34 -4.780 5.850 0.567 1.00 0.00 O ATOM 445 CB ILE A 34 -1.847 7.217 0.499 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.610 5.817 -0.066 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.574 7.212 1.991 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.616 5.772 -1.575 1.00 0.00 C ATOM 0 H ILE A 34 -2.766 9.578 0.966 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.432 7.521 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.161 7.924 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.653 5.443 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.380 5.145 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.555 6.871 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.695 8.220 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.275 6.541 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.442 4.749 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.582 6.116 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.828 6.419 -1.961 1.00 0.00 H new ATOM 460 N ILE A 35 -4.650 7.447 2.146 1.00 0.00 N ATOM 461 CA ILE A 35 -5.729 6.904 2.951 1.00 0.00 C ATOM 462 C ILE A 35 -7.070 7.429 2.454 1.00 0.00 C ATOM 463 O ILE A 35 -8.127 6.915 2.828 1.00 0.00 O ATOM 464 CB ILE A 35 -5.555 7.223 4.447 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.340 8.721 4.663 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.404 6.414 5.024 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.055 9.100 6.102 1.00 0.00 C ATOM 0 H ILE A 35 -4.194 8.265 2.550 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.701 5.820 2.844 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.468 6.943 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.510 9.052 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.227 9.258 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.290 6.647 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.612 5.350 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.483 6.663 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.914 10.179 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.894 8.801 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.151 8.593 6.440 1.00 0.00 H new ATOM 479 N GLY A 36 -6.997 8.477 1.627 1.00 0.00 N ATOM 480 CA GLY A 36 -8.152 9.006 0.918 1.00 0.00 C ATOM 481 C GLY A 36 -9.302 9.374 1.825 1.00 0.00 C ATOM 482 O GLY A 36 -9.349 10.471 2.375 1.00 0.00 O ATOM 0 H GLY A 36 -6.130 8.979 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.849 9.888 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.494 8.266 0.194 1.00 0.00 H new ATOM 486 N ARG A 37 -10.219 8.430 1.982 1.00 0.00 N ATOM 487 CA ARG A 37 -11.401 8.606 2.819 1.00 0.00 C ATOM 488 C ARG A 37 -11.026 8.813 4.284 1.00 0.00 C ATOM 489 O ARG A 37 -11.874 9.149 5.110 1.00 0.00 O ATOM 490 CB ARG A 37 -12.307 7.387 2.670 1.00 0.00 C ATOM 491 CG ARG A 37 -11.653 6.079 3.091 1.00 0.00 C ATOM 492 CD ARG A 37 -12.311 4.894 2.404 1.00 0.00 C ATOM 493 NE ARG A 37 -13.752 4.861 2.633 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.625 4.290 1.806 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.209 3.746 0.667 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.918 4.283 2.111 1.00 0.00 N ATOM 0 H ARG A 37 -10.165 7.516 1.531 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.929 9.501 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.207 7.540 3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.623 7.306 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.592 6.103 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.726 5.963 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.115 4.941 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.864 3.969 2.769 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.112 5.303 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.218 3.765 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.880 3.309 0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.240 4.715 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.589 3.846 1.479 1.00 0.00 H new ATOM 510 N GLY A 38 -9.757 8.593 4.602 1.00 0.00 N ATOM 511 CA GLY A 38 -9.269 8.876 5.934 1.00 0.00 C ATOM 512 C GLY A 38 -8.560 7.697 6.570 1.00 0.00 C ATOM 513 O GLY A 38 -8.170 7.759 7.734 1.00 0.00 O ATOM 0 H GLY A 38 -9.057 8.223 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.585 9.724 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.106 9.173 6.566 1.00 0.00 H new ATOM 517 N GLY A 39 -8.388 6.620 5.812 1.00 0.00 N ATOM 518 CA GLY A 39 -7.637 5.489 6.322 1.00 0.00 C ATOM 519 C GLY A 39 -7.964 4.190 5.615 1.00 0.00 C ATOM 520 O GLY A 39 -7.070 3.512 5.115 1.00 0.00 O ATOM 0 H GLY A 39 -8.750 6.510 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.571 5.693 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.840 5.377 7.387 1.00 0.00 H new ATOM 524 N GLU A 40 -9.252 3.860 5.560 1.00 0.00 N ATOM 525 CA GLU A 40 -9.717 2.577 5.021 1.00 0.00 C ATOM 526 C GLU A 40 -9.223 2.317 3.593 1.00 0.00 C ATOM 527 O GLU A 40 -9.203 1.175 3.148 1.00 0.00 O ATOM 528 CB GLU A 40 -11.246 2.506 5.063 1.00 0.00 C ATOM 529 CG GLU A 40 -11.803 1.148 4.665 1.00 0.00 C ATOM 530 CD GLU A 40 -13.312 1.112 4.675 1.00 0.00 C ATOM 531 OE1 GLU A 40 -13.924 1.519 3.670 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.894 0.683 5.691 1.00 0.00 O ATOM 0 H GLU A 40 -10.003 4.469 5.885 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.292 1.799 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.585 2.748 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.655 3.266 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.444 0.890 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.421 0.389 5.348 1.00 0.00 H new ATOM 539 N GLN A 41 -8.836 3.368 2.874 1.00 0.00 N ATOM 540 CA GLN A 41 -8.347 3.215 1.506 1.00 0.00 C ATOM 541 C GLN A 41 -7.130 2.308 1.465 1.00 0.00 C ATOM 542 O GLN A 41 -7.105 1.330 0.726 1.00 0.00 O ATOM 543 CB GLN A 41 -7.977 4.563 0.904 1.00 0.00 C ATOM 544 CG GLN A 41 -8.756 4.909 -0.348 1.00 0.00 C ATOM 545 CD GLN A 41 -8.258 4.165 -1.566 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.787 3.114 -1.923 1.00 0.00 O ATOM 547 NE2 GLN A 41 -7.214 4.688 -2.189 1.00 0.00 N ATOM 0 H GLN A 41 -8.851 4.330 3.213 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.153 2.769 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.142 5.341 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.912 4.566 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.810 4.678 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.688 5.982 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.808 5.563 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.816 4.216 -3.001 1.00 0.00 H new ATOM 556 N ILE A 42 -6.123 2.623 2.273 1.00 0.00 N ATOM 557 CA ILE A 42 -4.907 1.831 2.280 1.00 0.00 C ATOM 558 C ILE A 42 -5.204 0.428 2.797 1.00 0.00 C ATOM 559 O ILE A 42 -4.658 -0.546 2.294 1.00 0.00 O ATOM 560 CB ILE A 42 -3.770 2.492 3.102 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.445 1.770 2.850 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.087 2.521 4.590 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.981 1.863 1.412 1.00 0.00 C ATOM 0 H ILE A 42 -6.127 3.410 2.921 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.551 1.770 1.252 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.681 3.526 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.679 2.192 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.553 0.720 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.264 2.992 5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.002 3.089 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.222 1.502 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.036 1.331 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.730 1.415 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.842 2.910 1.141 1.00 0.00 H new ATOM 575 N ASN A 43 -6.109 0.337 3.774 1.00 0.00 N ATOM 576 CA ASN A 43 -6.554 -0.948 4.299 1.00 0.00 C ATOM 577 C ASN A 43 -7.173 -1.782 3.188 1.00 0.00 C ATOM 578 O ASN A 43 -6.948 -2.988 3.099 1.00 0.00 O ATOM 579 CB ASN A 43 -7.574 -0.752 5.425 1.00 0.00 C ATOM 580 CG ASN A 43 -6.966 -0.192 6.698 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.996 0.563 6.668 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.536 -0.564 7.834 1.00 0.00 N ATOM 0 H ASN A 43 -6.548 1.144 4.217 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.686 -1.470 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.360 -0.080 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.047 -1.708 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.171 -0.222 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.340 -1.192 7.820 1.00 0.00 H new ATOM 589 N LYS A 44 -7.956 -1.122 2.343 1.00 0.00 N ATOM 590 CA LYS A 44 -8.515 -1.747 1.158 1.00 0.00 C ATOM 591 C LYS A 44 -7.392 -2.223 0.246 1.00 0.00 C ATOM 592 O LYS A 44 -7.295 -3.407 -0.056 1.00 0.00 O ATOM 593 CB LYS A 44 -9.439 -0.759 0.421 1.00 0.00 C ATOM 594 CG LYS A 44 -9.767 -1.147 -1.017 1.00 0.00 C ATOM 595 CD LYS A 44 -10.480 -2.489 -1.113 1.00 0.00 C ATOM 596 CE LYS A 44 -10.772 -2.841 -2.563 1.00 0.00 C ATOM 597 NZ LYS A 44 -11.452 -4.155 -2.706 1.00 0.00 N ATOM 0 H LYS A 44 -8.218 -0.143 2.462 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.110 -2.611 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.370 -0.667 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.970 0.225 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.393 -0.375 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.846 -1.187 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.864 -3.267 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.411 -2.453 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.396 -2.063 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.838 -2.856 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.897 -4.216 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.755 -4.920 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.181 -4.250 -1.971 1.00 0.00 H new ATOM 611 N ILE A 45 -6.526 -1.297 -0.140 1.00 0.00 N ATOM 612 CA ILE A 45 -5.440 -1.576 -1.074 1.00 0.00 C ATOM 613 C ILE A 45 -4.568 -2.742 -0.612 1.00 0.00 C ATOM 614 O ILE A 45 -4.429 -3.737 -1.325 1.00 0.00 O ATOM 615 CB ILE A 45 -4.567 -0.310 -1.309 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.138 0.538 -2.453 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.114 -0.672 -1.608 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.587 0.928 -2.285 1.00 0.00 C ATOM 0 H ILE A 45 -6.555 -0.330 0.184 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.903 -1.864 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.588 0.271 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.540 1.445 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.030 -0.015 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.537 0.239 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.696 -1.225 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.070 -1.289 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.905 1.525 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.201 0.029 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.703 1.512 -1.372 1.00 0.00 H new ATOM 630 N GLN A 46 -4.013 -2.640 0.589 1.00 0.00 N ATOM 631 CA GLN A 46 -3.016 -3.595 1.043 1.00 0.00 C ATOM 632 C GLN A 46 -3.623 -4.970 1.311 1.00 0.00 C ATOM 633 O GLN A 46 -2.993 -5.993 1.046 1.00 0.00 O ATOM 634 CB GLN A 46 -2.275 -3.055 2.274 1.00 0.00 C ATOM 635 CG GLN A 46 -3.156 -2.693 3.467 1.00 0.00 C ATOM 636 CD GLN A 46 -3.172 -3.753 4.555 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.003 -4.659 4.554 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.261 -3.631 5.506 1.00 0.00 N ATOM 0 H GLN A 46 -4.237 -1.908 1.263 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.291 -3.726 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.548 -3.801 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.713 -2.169 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.808 -1.752 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.175 -2.527 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.588 -2.865 5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.232 -4.303 6.273 1.00 0.00 H new ATOM 647 N GLN A 47 -4.855 -4.996 1.793 1.00 0.00 N ATOM 648 CA GLN A 47 -5.505 -6.253 2.136 1.00 0.00 C ATOM 649 C GLN A 47 -6.039 -6.931 0.883 1.00 0.00 C ATOM 650 O GLN A 47 -6.001 -8.157 0.762 1.00 0.00 O ATOM 651 CB GLN A 47 -6.638 -6.006 3.131 1.00 0.00 C ATOM 652 CG GLN A 47 -7.165 -7.264 3.799 1.00 0.00 C ATOM 653 CD GLN A 47 -8.252 -6.966 4.814 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.137 -7.787 5.055 1.00 0.00 O ATOM 655 NE2 GLN A 47 -8.205 -5.779 5.401 1.00 0.00 N ATOM 0 H GLN A 47 -5.424 -4.165 1.956 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.771 -6.912 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.287 -5.319 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.460 -5.511 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.557 -7.939 3.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.343 -7.782 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.454 -5.127 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.919 -5.517 6.080 1.00 0.00 H new ATOM 664 N ASP A 48 -6.508 -6.116 -0.055 1.00 0.00 N ATOM 665 CA ASP A 48 -7.061 -6.607 -1.312 1.00 0.00 C ATOM 666 C ASP A 48 -5.964 -7.232 -2.166 1.00 0.00 C ATOM 667 O ASP A 48 -6.219 -8.116 -2.984 1.00 0.00 O ATOM 668 CB ASP A 48 -7.721 -5.450 -2.068 1.00 0.00 C ATOM 669 CG ASP A 48 -8.567 -5.895 -3.241 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.707 -6.343 -3.013 1.00 0.00 O ATOM 671 OD2 ASP A 48 -8.110 -5.766 -4.397 1.00 0.00 O ATOM 0 H ASP A 48 -6.516 -5.100 0.034 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.809 -7.370 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.344 -4.884 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.946 -4.773 -2.426 1.00 0.00 H new ATOM 676 N SER A 49 -4.736 -6.774 -1.959 1.00 0.00 N ATOM 677 CA SER A 49 -3.592 -7.280 -2.703 1.00 0.00 C ATOM 678 C SER A 49 -2.866 -8.394 -1.940 1.00 0.00 C ATOM 679 O SER A 49 -2.439 -9.388 -2.533 1.00 0.00 O ATOM 680 CB SER A 49 -2.636 -6.130 -3.011 1.00 0.00 C ATOM 681 OG SER A 49 -2.473 -5.302 -1.873 1.00 0.00 O ATOM 0 H SER A 49 -4.507 -6.050 -1.278 1.00 0.00 H new ATOM 0 HA SER A 49 -3.954 -7.712 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.669 -6.526 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.022 -5.542 -3.844 1.00 0.00 H new ATOM 0 HG SER A 49 -3.175 -4.619 -1.862 1.00 0.00 H new ATOM 687 N GLY A 50 -2.724 -8.223 -0.628 1.00 0.00 N ATOM 688 CA GLY A 50 -2.082 -9.233 0.198 1.00 0.00 C ATOM 689 C GLY A 50 -0.730 -8.803 0.700 1.00 0.00 C ATOM 690 O GLY A 50 0.090 -9.625 1.111 1.00 0.00 O ATOM 0 H GLY A 50 -3.044 -7.399 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.724 -9.462 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.975 -10.152 -0.378 1.00 0.00 H new ATOM 694 N CYS A 51 -0.501 -7.514 0.652 1.00 0.00 N ATOM 695 CA CYS A 51 0.721 -6.925 1.154 1.00 0.00 C ATOM 696 C CYS A 51 0.561 -6.406 2.582 1.00 0.00 C ATOM 697 O CYS A 51 -0.550 -6.164 3.052 1.00 0.00 O ATOM 698 CB CYS A 51 1.100 -5.776 0.252 1.00 0.00 C ATOM 699 SG CYS A 51 0.216 -5.770 -1.308 1.00 0.00 S ATOM 0 H CYS A 51 -1.159 -6.839 0.262 1.00 0.00 H new ATOM 0 HA CYS A 51 1.494 -7.693 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.909 -4.838 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.171 -5.818 0.054 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.008 -5.379 -1.112 1.00 0.00 H new ATOM 705 N LYS A 52 1.687 -6.219 3.248 1.00 0.00 N ATOM 706 CA LYS A 52 1.724 -5.604 4.561 1.00 0.00 C ATOM 707 C LYS A 52 2.159 -4.156 4.421 1.00 0.00 C ATOM 708 O LYS A 52 3.310 -3.810 4.685 1.00 0.00 O ATOM 709 CB LYS A 52 2.703 -6.337 5.479 1.00 0.00 C ATOM 710 CG LYS A 52 2.421 -7.818 5.642 1.00 0.00 C ATOM 711 CD LYS A 52 3.477 -8.477 6.511 1.00 0.00 C ATOM 712 CE LYS A 52 4.854 -8.395 5.868 1.00 0.00 C ATOM 713 NZ LYS A 52 5.922 -8.897 6.770 1.00 0.00 N ATOM 0 H LYS A 52 2.603 -6.491 2.892 1.00 0.00 H new ATOM 0 HA LYS A 52 0.728 -5.660 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.712 -6.213 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.683 -5.866 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.437 -7.958 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.398 -8.298 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.500 -7.994 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.213 -9.521 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.858 -8.974 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.066 -7.361 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.768 -9.127 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.158 -8.165 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.589 -9.751 7.261 1.00 0.00 H new ATOM 727 N VAL A 53 1.248 -3.323 3.972 1.00 0.00 N ATOM 728 CA VAL A 53 1.535 -1.914 3.787 1.00 0.00 C ATOM 729 C VAL A 53 1.206 -1.154 5.058 1.00 0.00 C ATOM 730 O VAL A 53 0.039 -1.003 5.417 1.00 0.00 O ATOM 731 CB VAL A 53 0.734 -1.334 2.609 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.111 0.111 2.343 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.940 -2.173 1.362 1.00 0.00 C ATOM 0 H VAL A 53 0.296 -3.596 3.726 1.00 0.00 H new ATOM 0 HA VAL A 53 2.596 -1.808 3.561 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.322 -1.360 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.527 0.491 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.905 0.710 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.172 0.172 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.366 -1.748 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.998 -2.182 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.604 -3.193 1.550 1.00 0.00 H new ATOM 743 N GLN A 54 2.238 -0.698 5.744 1.00 0.00 N ATOM 744 CA GLN A 54 2.058 -0.025 7.014 1.00 0.00 C ATOM 745 C GLN A 54 2.441 1.441 6.930 1.00 0.00 C ATOM 746 O GLN A 54 3.454 1.795 6.322 1.00 0.00 O ATOM 747 CB GLN A 54 2.858 -0.726 8.109 1.00 0.00 C ATOM 748 CG GLN A 54 2.226 -2.035 8.559 1.00 0.00 C ATOM 749 CD GLN A 54 0.772 -1.854 8.959 1.00 0.00 C ATOM 750 OE1 GLN A 54 -0.047 -2.762 8.814 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.444 -0.677 9.475 1.00 0.00 N ATOM 0 H GLN A 54 3.209 -0.782 5.442 1.00 0.00 H new ATOM 0 HA GLN A 54 0.999 -0.075 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.867 -0.922 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.951 -0.060 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.293 -2.766 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.787 -2.438 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.152 0.050 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.516 -0.499 9.768 1.00 0.00 H new ATOM 760 N ILE A 55 1.627 2.287 7.547 1.00 0.00 N ATOM 761 CA ILE A 55 1.853 3.718 7.519 1.00 0.00 C ATOM 762 C ILE A 55 2.660 4.150 8.739 1.00 0.00 C ATOM 763 O ILE A 55 2.210 4.000 9.873 1.00 0.00 O ATOM 764 CB ILE A 55 0.519 4.505 7.473 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.335 4.057 6.282 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.781 6.000 7.403 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.335 4.243 4.939 1.00 0.00 C ATOM 0 H ILE A 55 0.802 2.001 8.074 1.00 0.00 H new ATOM 0 HA ILE A 55 2.413 3.944 6.612 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.031 4.293 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.590 3.005 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.271 4.615 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.168 6.535 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.344 6.312 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.355 6.227 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.334 3.902 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.565 5.298 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.257 3.663 4.909 1.00 0.00 H new ATOM 779 N SER A 56 3.858 4.662 8.503 1.00 0.00 N ATOM 780 CA SER A 56 4.716 5.136 9.577 1.00 0.00 C ATOM 781 C SER A 56 4.537 6.640 9.771 1.00 0.00 C ATOM 782 O SER A 56 4.978 7.439 8.937 1.00 0.00 O ATOM 783 CB SER A 56 6.175 4.806 9.258 1.00 0.00 C ATOM 784 OG SER A 56 6.317 3.433 8.937 1.00 0.00 O ATOM 0 H SER A 56 4.260 4.760 7.571 1.00 0.00 H new ATOM 0 HA SER A 56 4.437 4.635 10.504 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.518 5.418 8.423 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.805 5.052 10.113 1.00 0.00 H new ATOM 0 HG SER A 56 7.256 3.240 8.734 1.00 0.00 H new ATOM 790 N PRO A 57 3.865 7.038 10.865 1.00 0.00 N ATOM 791 CA PRO A 57 3.583 8.442 11.156 1.00 0.00 C ATOM 792 C PRO A 57 4.788 9.180 11.736 1.00 0.00 C ATOM 793 O PRO A 57 4.957 10.379 11.511 1.00 0.00 O ATOM 794 CB PRO A 57 2.449 8.355 12.177 1.00 0.00 C ATOM 795 CG PRO A 57 2.684 7.073 12.898 1.00 0.00 C ATOM 796 CD PRO A 57 3.313 6.139 11.900 1.00 0.00 C ATOM 0 HA PRO A 57 3.329 9.007 10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.467 9.203 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.475 8.361 11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.339 7.224 13.756 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.748 6.663 13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.094 5.532 12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.579 5.451 11.480 1.00 0.00 H new ATOM 804 N ASP A 58 5.635 8.453 12.453 1.00 0.00 N ATOM 805 CA ASP A 58 6.802 9.046 13.091 1.00 0.00 C ATOM 806 C ASP A 58 7.896 9.250 12.058 1.00 0.00 C ATOM 807 O ASP A 58 8.542 10.300 12.020 1.00 0.00 O ATOM 808 CB ASP A 58 7.317 8.150 14.226 1.00 0.00 C ATOM 809 CG ASP A 58 6.256 7.838 15.264 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.371 6.996 14.984 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.310 8.407 16.373 1.00 0.00 O ATOM 0 H ASP A 58 5.535 7.450 12.607 1.00 0.00 H new ATOM 0 HA ASP A 58 6.516 10.008 13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.690 7.217 13.804 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.161 8.639 14.713 1.00 0.00 H new ATOM 816 N SER A 59 8.089 8.220 11.233 1.00 0.00 N ATOM 817 CA SER A 59 8.992 8.256 10.084 1.00 0.00 C ATOM 818 C SER A 59 10.458 8.332 10.513 1.00 0.00 C ATOM 819 O SER A 59 11.218 7.380 10.324 1.00 0.00 O ATOM 820 CB SER A 59 8.639 9.417 9.147 1.00 0.00 C ATOM 821 OG SER A 59 9.297 9.275 7.902 1.00 0.00 O ATOM 0 H SER A 59 7.615 7.324 11.347 1.00 0.00 H new ATOM 0 HA SER A 59 8.860 7.321 9.540 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.561 9.450 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.924 10.362 9.608 1.00 0.00 H new ATOM 0 HG SER A 59 9.120 8.382 7.539 1.00 0.00 H new ATOM 827 N GLY A 60 10.852 9.457 11.091 1.00 0.00 N ATOM 828 CA GLY A 60 12.207 9.611 11.567 1.00 0.00 C ATOM 829 C GLY A 60 13.022 10.553 10.707 1.00 0.00 C ATOM 830 O GLY A 60 13.078 11.755 10.971 1.00 0.00 O ATOM 0 H GLY A 60 10.252 10.269 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.188 9.984 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.693 8.635 11.592 1.00 0.00 H new ATOM 834 N GLY A 61 13.624 10.009 9.656 1.00 0.00 N ATOM 835 CA GLY A 61 14.526 10.783 8.819 1.00 0.00 C ATOM 836 C GLY A 61 13.807 11.603 7.770 1.00 0.00 C ATOM 837 O GLY A 61 14.439 12.320 6.994 1.00 0.00 O ATOM 0 H GLY A 61 13.503 9.039 9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.116 11.448 9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.225 10.107 8.327 1.00 0.00 H new ATOM 841 N LEU A 62 12.492 11.496 7.735 1.00 0.00 N ATOM 842 CA LEU A 62 11.704 12.163 6.715 1.00 0.00 C ATOM 843 C LEU A 62 10.734 13.146 7.359 1.00 0.00 C ATOM 844 O LEU A 62 10.105 12.828 8.366 1.00 0.00 O ATOM 845 CB LEU A 62 10.941 11.116 5.898 1.00 0.00 C ATOM 846 CG LEU A 62 11.797 9.967 5.356 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.941 8.957 4.613 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.907 10.494 4.462 1.00 0.00 C ATOM 0 H LEU A 62 11.946 10.952 8.403 1.00 0.00 H new ATOM 0 HA LEU A 62 12.366 12.720 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.150 10.697 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.456 11.615 5.059 1.00 0.00 H new ATOM 0 HG LEU A 62 12.257 9.461 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.572 8.151 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.192 8.546 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.443 9.447 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.501 9.660 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.472 11.034 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.546 11.167 5.034 1.00 0.00 H new ATOM 860 N PRO A 63 10.617 14.364 6.797 1.00 0.00 N ATOM 861 CA PRO A 63 9.675 15.376 7.288 1.00 0.00 C ATOM 862 C PRO A 63 8.260 15.037 6.857 1.00 0.00 C ATOM 863 O PRO A 63 7.273 15.551 7.392 1.00 0.00 O ATOM 864 CB PRO A 63 10.149 16.651 6.596 1.00 0.00 C ATOM 865 CG PRO A 63 10.706 16.163 5.307 1.00 0.00 C ATOM 866 CD PRO A 63 11.387 14.857 5.633 1.00 0.00 C ATOM 0 HA PRO A 63 9.655 15.455 8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.328 17.351 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.903 17.171 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.918 16.021 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.412 16.880 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.345 14.160 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.440 15.000 5.876 1.00 0.00 H new ATOM 874 N GLU A 64 8.194 14.165 5.871 1.00 0.00 N ATOM 875 CA GLU A 64 6.950 13.677 5.340 1.00 0.00 C ATOM 876 C GLU A 64 6.589 12.372 6.036 1.00 0.00 C ATOM 877 O GLU A 64 7.114 12.065 7.106 1.00 0.00 O ATOM 878 CB GLU A 64 7.095 13.489 3.824 1.00 0.00 C ATOM 879 CG GLU A 64 8.280 12.616 3.428 1.00 0.00 C ATOM 880 CD GLU A 64 8.767 12.882 2.016 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.084 12.488 1.051 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.858 13.474 1.867 1.00 0.00 O ATOM 0 H GLU A 64 9.018 13.774 5.414 1.00 0.00 H new ATOM 0 HA GLU A 64 6.145 14.390 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.180 13.045 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.201 14.467 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.099 12.786 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.997 11.567 3.517 1.00 0.00 H new ATOM 889 N ARG A 65 5.695 11.620 5.442 1.00 0.00 N ATOM 890 CA ARG A 65 5.291 10.346 5.989 1.00 0.00 C ATOM 891 C ARG A 65 6.030 9.236 5.256 1.00 0.00 C ATOM 892 O ARG A 65 6.493 9.434 4.133 1.00 0.00 O ATOM 893 CB ARG A 65 3.775 10.184 5.841 1.00 0.00 C ATOM 894 CG ARG A 65 3.116 9.472 7.006 1.00 0.00 C ATOM 895 CD ARG A 65 3.430 10.179 8.309 1.00 0.00 C ATOM 896 NE ARG A 65 2.919 11.550 8.343 1.00 0.00 N ATOM 897 CZ ARG A 65 3.631 12.598 8.759 1.00 0.00 C ATOM 898 NH1 ARG A 65 4.873 12.429 9.206 1.00 0.00 N ATOM 899 NH2 ARG A 65 3.103 13.816 8.738 1.00 0.00 N ATOM 0 H ARG A 65 5.228 11.871 4.570 1.00 0.00 H new ATOM 0 HA ARG A 65 5.539 10.294 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.324 11.170 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.566 9.631 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.037 9.438 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.464 8.440 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.001 9.615 9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.510 10.194 8.459 1.00 0.00 H new ATOM 0 HE ARG A 65 1.962 11.714 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.283 11.496 9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.415 13.233 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.149 13.953 8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.651 14.615 9.057 1.00 0.00 H new ATOM 913 N SER A 66 6.172 8.083 5.883 1.00 0.00 N ATOM 914 CA SER A 66 6.843 6.974 5.231 1.00 0.00 C ATOM 915 C SER A 66 5.991 5.717 5.297 1.00 0.00 C ATOM 916 O SER A 66 5.390 5.413 6.327 1.00 0.00 O ATOM 917 CB SER A 66 8.225 6.755 5.852 1.00 0.00 C ATOM 918 OG SER A 66 8.151 6.660 7.265 1.00 0.00 O ATOM 0 H SER A 66 5.838 7.891 6.827 1.00 0.00 H new ATOM 0 HA SER A 66 6.984 7.215 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.666 5.844 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.884 7.578 5.576 1.00 0.00 H new ATOM 0 HG SER A 66 8.954 6.213 7.605 1.00 0.00 H new ATOM 924 N VAL A 67 5.907 5.011 4.185 1.00 0.00 N ATOM 925 CA VAL A 67 5.096 3.805 4.106 1.00 0.00 C ATOM 926 C VAL A 67 5.966 2.595 3.798 1.00 0.00 C ATOM 927 O VAL A 67 6.761 2.625 2.861 1.00 0.00 O ATOM 928 CB VAL A 67 4.009 3.937 3.019 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.110 2.714 3.002 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.188 5.201 3.226 1.00 0.00 C ATOM 0 H VAL A 67 6.391 5.251 3.320 1.00 0.00 H new ATOM 0 HA VAL A 67 4.614 3.670 5.074 1.00 0.00 H new ATOM 0 HB VAL A 67 4.507 4.007 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.352 2.831 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.707 1.826 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.624 2.606 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.428 5.273 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.705 5.165 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.842 6.072 3.176 1.00 0.00 H new ATOM 940 N SER A 68 5.813 1.536 4.580 1.00 0.00 N ATOM 941 CA SER A 68 6.568 0.320 4.340 1.00 0.00 C ATOM 942 C SER A 68 5.803 -0.630 3.440 1.00 0.00 C ATOM 943 O SER A 68 4.640 -0.958 3.693 1.00 0.00 O ATOM 944 CB SER A 68 6.907 -0.400 5.634 1.00 0.00 C ATOM 945 OG SER A 68 7.696 0.407 6.495 1.00 0.00 O ATOM 0 H SER A 68 5.179 1.496 5.378 1.00 0.00 H new ATOM 0 HA SER A 68 7.494 0.623 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.986 -0.684 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.443 -1.322 5.408 1.00 0.00 H new ATOM 0 HG SER A 68 8.137 1.109 5.972 1.00 0.00 H new ATOM 951 N LEU A 69 6.468 -1.059 2.390 1.00 0.00 N ATOM 952 CA LEU A 69 5.900 -1.973 1.432 1.00 0.00 C ATOM 953 C LEU A 69 6.522 -3.361 1.553 1.00 0.00 C ATOM 954 O LEU A 69 7.722 -3.530 1.348 1.00 0.00 O ATOM 955 CB LEU A 69 6.138 -1.442 0.027 1.00 0.00 C ATOM 956 CG LEU A 69 5.213 -0.318 -0.449 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.773 -0.794 -0.478 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.347 0.927 0.413 1.00 0.00 C ATOM 0 H LEU A 69 7.426 -0.779 2.178 1.00 0.00 H new ATOM 0 HA LEU A 69 4.832 -2.055 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.166 -1.085 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.049 -2.274 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 69 5.516 -0.048 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.129 0.017 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.683 -1.640 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.471 -1.101 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.674 1.700 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.089 0.685 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.374 1.289 0.372 1.00 0.00 H new ATOM 970 N THR A 70 5.696 -4.343 1.887 1.00 0.00 N ATOM 971 CA THR A 70 6.119 -5.734 1.960 1.00 0.00 C ATOM 972 C THR A 70 4.949 -6.652 1.637 1.00 0.00 C ATOM 973 O THR A 70 3.802 -6.244 1.763 1.00 0.00 O ATOM 974 CB THR A 70 6.663 -6.084 3.352 1.00 0.00 C ATOM 975 OG1 THR A 70 6.074 -5.227 4.339 1.00 0.00 O ATOM 976 CG2 THR A 70 8.176 -5.968 3.392 1.00 0.00 C ATOM 0 H THR A 70 4.713 -4.197 2.115 1.00 0.00 H new ATOM 0 HA THR A 70 6.917 -5.875 1.231 1.00 0.00 H new ATOM 0 HB THR A 70 6.398 -7.118 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.425 -5.458 5.224 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.534 -6.222 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.613 -6.653 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.469 -4.946 3.150 1.00 0.00 H new ATOM 984 N GLY A 71 5.227 -7.870 1.196 1.00 0.00 N ATOM 985 CA GLY A 71 4.156 -8.819 0.933 1.00 0.00 C ATOM 986 C GLY A 71 4.552 -9.889 -0.062 1.00 0.00 C ATOM 987 O GLY A 71 5.721 -10.242 -0.168 1.00 0.00 O ATOM 0 H GLY A 71 6.168 -8.220 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.858 -9.292 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.286 -8.282 0.555 1.00 0.00 H new ATOM 991 N ALA A 72 3.577 -10.420 -0.781 1.00 0.00 N ATOM 992 CA ALA A 72 3.847 -11.403 -1.818 1.00 0.00 C ATOM 993 C ALA A 72 4.313 -10.696 -3.090 1.00 0.00 C ATOM 994 O ALA A 72 4.067 -9.502 -3.239 1.00 0.00 O ATOM 995 CB ALA A 72 2.604 -12.240 -2.085 1.00 0.00 C ATOM 0 H ALA A 72 2.591 -10.187 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 72 4.640 -12.072 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.819 -12.972 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.310 -12.757 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.792 -11.591 -2.412 1.00 0.00 H new ATOM 1001 N PRO A 73 4.999 -11.401 -4.009 1.00 0.00 N ATOM 1002 CA PRO A 73 5.517 -10.801 -5.249 1.00 0.00 C ATOM 1003 C PRO A 73 4.457 -9.985 -5.987 1.00 0.00 C ATOM 1004 O PRO A 73 4.682 -8.825 -6.337 1.00 0.00 O ATOM 1005 CB PRO A 73 5.954 -12.011 -6.092 1.00 0.00 C ATOM 1006 CG PRO A 73 5.454 -13.220 -5.364 1.00 0.00 C ATOM 1007 CD PRO A 73 5.336 -12.826 -3.923 1.00 0.00 C ATOM 0 HA PRO A 73 6.327 -10.099 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.535 -11.959 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.038 -12.041 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.490 -13.541 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.142 -14.057 -5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.562 -13.396 -3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.267 -12.991 -3.380 1.00 0.00 H new ATOM 1015 N GLU A 74 3.292 -10.590 -6.187 1.00 0.00 N ATOM 1016 CA GLU A 74 2.184 -9.926 -6.861 1.00 0.00 C ATOM 1017 C GLU A 74 1.672 -8.768 -6.023 1.00 0.00 C ATOM 1018 O GLU A 74 1.436 -7.666 -6.529 1.00 0.00 O ATOM 1019 CB GLU A 74 1.050 -10.920 -7.105 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.203 -10.291 -7.695 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.365 -11.256 -7.750 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -2.040 -11.442 -6.716 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -1.603 -11.843 -8.822 1.00 0.00 O ATOM 0 H GLU A 74 3.090 -11.545 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 74 2.541 -9.542 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.403 -11.702 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.793 -11.402 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.484 -9.422 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.014 -9.931 -8.701 1.00 0.00 H new ATOM 1030 N SER A 75 1.520 -9.027 -4.733 1.00 0.00 N ATOM 1031 CA SER A 75 0.965 -8.069 -3.817 1.00 0.00 C ATOM 1032 C SER A 75 1.832 -6.818 -3.742 1.00 0.00 C ATOM 1033 O SER A 75 1.352 -5.717 -3.979 1.00 0.00 O ATOM 1034 CB SER A 75 0.849 -8.719 -2.445 1.00 0.00 C ATOM 1035 OG SER A 75 0.233 -9.992 -2.542 1.00 0.00 O ATOM 0 H SER A 75 1.782 -9.913 -4.301 1.00 0.00 H new ATOM 0 HA SER A 75 -0.021 -7.763 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.839 -8.822 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.268 -8.078 -1.782 1.00 0.00 H new ATOM 0 HG SER A 75 -0.729 -9.879 -2.690 1.00 0.00 H new ATOM 1041 N VAL A 76 3.115 -6.999 -3.447 1.00 0.00 N ATOM 1042 CA VAL A 76 4.001 -5.874 -3.191 1.00 0.00 C ATOM 1043 C VAL A 76 4.156 -4.995 -4.433 1.00 0.00 C ATOM 1044 O VAL A 76 4.415 -3.797 -4.321 1.00 0.00 O ATOM 1045 CB VAL A 76 5.377 -6.344 -2.664 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.351 -6.645 -3.795 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.935 -5.316 -1.696 1.00 0.00 C ATOM 0 H VAL A 76 3.562 -7.913 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 76 3.540 -5.268 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 76 5.236 -7.283 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.304 -6.971 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.942 -7.434 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.505 -5.746 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.904 -5.652 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.052 -4.361 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.250 -5.197 -0.857 1.00 0.00 H new ATOM 1057 N GLN A 77 3.968 -5.579 -5.613 1.00 0.00 N ATOM 1058 CA GLN A 77 3.950 -4.798 -6.839 1.00 0.00 C ATOM 1059 C GLN A 77 2.672 -3.970 -6.901 1.00 0.00 C ATOM 1060 O GLN A 77 2.717 -2.757 -7.100 1.00 0.00 O ATOM 1061 CB GLN A 77 4.049 -5.701 -8.074 1.00 0.00 C ATOM 1062 CG GLN A 77 3.969 -4.928 -9.383 1.00 0.00 C ATOM 1063 CD GLN A 77 4.049 -5.816 -10.611 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.698 -6.862 -10.598 1.00 0.00 O ATOM 1065 NE2 GLN A 77 3.385 -5.408 -11.682 1.00 0.00 N ATOM 0 H GLN A 77 3.828 -6.581 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 77 4.816 -4.135 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.989 -6.252 -8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.247 -6.438 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.035 -4.367 -9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.779 -4.199 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.858 -4.535 -11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.400 -5.967 -12.535 1.00 0.00 H new ATOM 1074 N LYS A 78 1.543 -4.640 -6.690 1.00 0.00 N ATOM 1075 CA LYS A 78 0.231 -4.003 -6.739 1.00 0.00 C ATOM 1076 C LYS A 78 0.150 -2.851 -5.736 1.00 0.00 C ATOM 1077 O LYS A 78 -0.217 -1.731 -6.092 1.00 0.00 O ATOM 1078 CB LYS A 78 -0.854 -5.047 -6.439 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.289 -4.546 -6.556 1.00 0.00 C ATOM 1080 CD LYS A 78 -2.744 -4.414 -8.005 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.506 -3.018 -8.556 1.00 0.00 C ATOM 1082 NZ LYS A 78 -3.039 -2.872 -9.935 1.00 0.00 N ATOM 0 H LYS A 78 1.512 -5.638 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 78 0.074 -3.593 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.724 -5.888 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.700 -5.427 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.954 -5.232 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.374 -3.578 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.212 -5.141 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.805 -4.654 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.979 -2.284 -7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.437 -2.804 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.254 -2.691 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.529 -3.747 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.708 -2.076 -9.966 1.00 0.00 H new ATOM 1096 N ALA A 79 0.524 -3.137 -4.491 1.00 0.00 N ATOM 1097 CA ALA A 79 0.526 -2.145 -3.421 1.00 0.00 C ATOM 1098 C ALA A 79 1.336 -0.916 -3.813 1.00 0.00 C ATOM 1099 O ALA A 79 0.879 0.219 -3.668 1.00 0.00 O ATOM 1100 CB ALA A 79 1.099 -2.749 -2.150 1.00 0.00 C ATOM 0 H ALA A 79 0.834 -4.063 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.505 -1.838 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.096 -2.000 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.491 -3.601 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.121 -3.079 -2.333 1.00 0.00 H new ATOM 1106 N LYS A 80 2.539 -1.151 -4.321 1.00 0.00 N ATOM 1107 CA LYS A 80 3.411 -0.064 -4.729 1.00 0.00 C ATOM 1108 C LYS A 80 2.847 0.678 -5.930 1.00 0.00 C ATOM 1109 O LYS A 80 3.224 1.812 -6.177 1.00 0.00 O ATOM 1110 CB LYS A 80 4.816 -0.559 -5.046 1.00 0.00 C ATOM 1111 CG LYS A 80 5.590 -1.023 -3.824 1.00 0.00 C ATOM 1112 CD LYS A 80 7.055 -1.229 -4.154 1.00 0.00 C ATOM 1113 CE LYS A 80 7.236 -2.200 -5.306 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.600 -2.105 -5.889 1.00 0.00 N ATOM 0 H LYS A 80 2.930 -2.083 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 80 3.469 0.624 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.750 -1.382 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.372 0.241 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.493 -0.286 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.163 -1.954 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.509 -0.272 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.577 -1.605 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.058 -3.217 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.494 -1.993 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.799 -2.959 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.657 -1.268 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.300 -2.022 -5.124 1.00 0.00 H new ATOM 1128 N MET A 81 1.965 0.040 -6.688 1.00 0.00 N ATOM 1129 CA MET A 81 1.331 0.712 -7.816 1.00 0.00 C ATOM 1130 C MET A 81 0.422 1.827 -7.321 1.00 0.00 C ATOM 1131 O MET A 81 0.391 2.907 -7.903 1.00 0.00 O ATOM 1132 CB MET A 81 0.546 -0.268 -8.693 1.00 0.00 C ATOM 1133 CG MET A 81 1.426 -1.292 -9.390 1.00 0.00 C ATOM 1134 SD MET A 81 0.500 -2.391 -10.477 1.00 0.00 S ATOM 1135 CE MET A 81 -0.009 -1.241 -11.752 1.00 0.00 C ATOM 0 H MET A 81 1.675 -0.928 -6.546 1.00 0.00 H new ATOM 0 HA MET A 81 2.121 1.142 -8.432 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.187 -0.789 -8.077 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.010 0.293 -9.444 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.188 -0.773 -9.971 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.947 -1.886 -8.639 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.289 -1.793 -12.649 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.863 -0.663 -11.400 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.815 -0.566 -11.984 1.00 0.00 H new ATOM 1145 N MET A 82 -0.323 1.568 -6.248 1.00 0.00 N ATOM 1146 CA MET A 82 -1.104 2.619 -5.601 1.00 0.00 C ATOM 1147 C MET A 82 -0.194 3.675 -4.981 1.00 0.00 C ATOM 1148 O MET A 82 -0.402 4.871 -5.169 1.00 0.00 O ATOM 1149 CB MET A 82 -2.026 2.052 -4.519 1.00 0.00 C ATOM 1150 CG MET A 82 -3.148 1.188 -5.060 1.00 0.00 C ATOM 1151 SD MET A 82 -2.729 -0.563 -5.103 1.00 0.00 S ATOM 1152 CE MET A 82 -4.270 -1.264 -5.686 1.00 0.00 C ATOM 0 H MET A 82 -0.402 0.649 -5.812 1.00 0.00 H new ATOM 0 HA MET A 82 -1.716 3.079 -6.377 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.431 1.463 -3.821 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.457 2.878 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.036 1.328 -4.444 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.402 1.520 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.297 -2.328 -5.451 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.106 -0.763 -5.197 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.346 -1.128 -6.765 1.00 0.00 H new ATOM 1162 N LEU A 83 0.817 3.225 -4.247 1.00 0.00 N ATOM 1163 CA LEU A 83 1.753 4.131 -3.582 1.00 0.00 C ATOM 1164 C LEU A 83 2.429 5.048 -4.588 1.00 0.00 C ATOM 1165 O LEU A 83 2.370 6.269 -4.463 1.00 0.00 O ATOM 1166 CB LEU A 83 2.812 3.343 -2.795 1.00 0.00 C ATOM 1167 CG LEU A 83 2.474 3.037 -1.328 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.338 4.326 -0.532 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.199 2.212 -1.216 1.00 0.00 C ATOM 0 H LEU A 83 1.012 2.235 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 83 1.182 4.742 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.991 2.399 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.747 3.903 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 83 3.294 2.451 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.098 4.090 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.277 4.878 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.541 4.935 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.986 2.012 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.368 2.764 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.328 1.269 -1.746 1.00 0.00 H new ATOM 1181 N ASP A 84 3.058 4.448 -5.584 1.00 0.00 N ATOM 1182 CA ASP A 84 3.725 5.191 -6.639 1.00 0.00 C ATOM 1183 C ASP A 84 2.761 6.150 -7.305 1.00 0.00 C ATOM 1184 O ASP A 84 3.087 7.313 -7.519 1.00 0.00 O ATOM 1185 CB ASP A 84 4.308 4.235 -7.682 1.00 0.00 C ATOM 1186 CG ASP A 84 4.825 4.957 -8.911 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.970 5.453 -8.873 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.093 5.018 -9.922 1.00 0.00 O ATOM 0 H ASP A 84 3.121 3.435 -5.684 1.00 0.00 H new ATOM 0 HA ASP A 84 4.537 5.762 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.120 3.664 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.543 3.519 -7.981 1.00 0.00 H new ATOM 1193 N ASP A 85 1.564 5.665 -7.596 1.00 0.00 N ATOM 1194 CA ASP A 85 0.559 6.458 -8.283 1.00 0.00 C ATOM 1195 C ASP A 85 0.300 7.777 -7.564 1.00 0.00 C ATOM 1196 O ASP A 85 0.409 8.853 -8.157 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.736 5.661 -8.413 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.841 6.442 -9.092 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.715 6.732 -10.300 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.850 6.757 -8.428 1.00 0.00 O ATOM 0 H ASP A 85 1.264 4.718 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 85 0.937 6.693 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.541 4.750 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.070 5.355 -7.421 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.001 7.689 -6.280 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.363 8.863 -5.499 1.00 0.00 C ATOM 1207 C ILE A 86 0.859 9.719 -5.165 1.00 0.00 C ATOM 1208 O ILE A 86 0.840 10.945 -5.324 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.129 8.465 -4.205 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.591 8.128 -4.520 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.065 9.558 -3.154 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.773 6.817 -5.249 1.00 0.00 C ATOM 0 H ILE A 86 -0.002 6.815 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.030 9.466 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.638 7.579 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.155 8.096 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.017 8.930 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.612 9.241 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.025 9.749 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.512 10.470 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.834 6.649 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.238 6.851 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.379 6.004 -4.639 1.00 0.00 H new ATOM 1224 N VAL A 87 1.933 9.084 -4.736 1.00 0.00 N ATOM 1225 CA VAL A 87 3.132 9.817 -4.379 1.00 0.00 C ATOM 1226 C VAL A 87 3.684 10.568 -5.585 1.00 0.00 C ATOM 1227 O VAL A 87 4.101 11.718 -5.479 1.00 0.00 O ATOM 1228 CB VAL A 87 4.212 8.890 -3.796 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.502 9.659 -3.547 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.722 8.242 -2.509 1.00 0.00 C ATOM 0 H VAL A 87 2.000 8.072 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 87 2.854 10.537 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 87 4.416 8.103 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.253 8.985 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.865 10.075 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.313 10.468 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.499 7.590 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.489 9.016 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.827 7.656 -2.715 1.00 0.00 H new ATOM 1240 N SER A 88 3.646 9.932 -6.733 1.00 0.00 N ATOM 1241 CA SER A 88 4.160 10.533 -7.945 1.00 0.00 C ATOM 1242 C SER A 88 3.251 11.644 -8.464 1.00 0.00 C ATOM 1243 O SER A 88 3.725 12.580 -9.111 1.00 0.00 O ATOM 1244 CB SER A 88 4.325 9.461 -9.003 1.00 0.00 C ATOM 1245 OG SER A 88 5.391 8.581 -8.671 1.00 0.00 O ATOM 0 H SER A 88 3.263 8.994 -6.855 1.00 0.00 H new ATOM 0 HA SER A 88 5.125 10.986 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.398 8.896 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.519 9.925 -9.970 1.00 0.00 H new ATOM 0 HG SER A 88 5.044 7.830 -8.146 1.00 0.00 H new ATOM 1251 N ARG A 89 1.950 11.557 -8.186 1.00 0.00 N ATOM 1252 CA ARG A 89 1.026 12.572 -8.678 1.00 0.00 C ATOM 1253 C ARG A 89 1.188 13.871 -7.905 1.00 0.00 C ATOM 1254 O ARG A 89 0.814 14.939 -8.396 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.442 12.091 -8.675 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.056 11.797 -7.311 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.581 13.058 -6.637 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.485 13.810 -7.510 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.970 15.013 -7.225 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -2.692 15.589 -6.063 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.745 15.634 -8.107 1.00 0.00 N ATOM 0 H ARG A 89 1.522 10.812 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 89 1.284 12.760 -9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.051 12.849 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.507 11.187 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.871 11.082 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.309 11.328 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.104 12.788 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.742 13.692 -6.351 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.760 13.382 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.103 15.108 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.067 16.513 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.964 15.187 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.121 16.558 -7.894 1.00 0.00 H new ATOM 1275 N GLY A 90 1.738 13.794 -6.696 1.00 0.00 N ATOM 1276 CA GLY A 90 1.998 15.015 -5.963 1.00 0.00 C ATOM 1277 C GLY A 90 2.873 14.842 -4.741 1.00 0.00 C ATOM 1278 O GLY A 90 2.429 15.087 -3.621 1.00 0.00 O ATOM 0 H GLY A 90 2.002 12.930 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.471 15.732 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.046 15.447 -5.654 1.00 0.00 H new ATOM 1282 N ARG A 91 4.116 14.425 -4.928 1.00 0.00 N ATOM 1283 CA ARG A 91 5.058 14.429 -3.825 1.00 0.00 C ATOM 1284 C ARG A 91 5.693 15.809 -3.695 1.00 0.00 C ATOM 1285 O ARG A 91 6.827 16.033 -4.122 1.00 0.00 O ATOM 1286 CB ARG A 91 6.146 13.364 -3.977 1.00 0.00 C ATOM 1287 CG ARG A 91 6.983 13.247 -2.718 1.00 0.00 C ATOM 1288 CD ARG A 91 8.095 12.225 -2.822 1.00 0.00 C ATOM 1289 NE ARG A 91 8.921 12.254 -1.617 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.248 12.249 -1.622 1.00 0.00 C ATOM 1291 NH1 ARG A 91 10.919 12.061 -2.753 1.00 0.00 N ATOM 1292 NH2 ARG A 91 10.903 12.424 -0.484 1.00 0.00 N ATOM 0 H ARG A 91 4.488 14.086 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 91 4.500 14.188 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.687 12.401 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.788 13.615 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.416 14.220 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.334 12.982 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.672 11.230 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.709 12.433 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 91 8.447 12.280 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.414 11.919 -3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.939 12.059 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.387 12.561 0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.923 12.422 -0.477 1.00 0.00 H new ATOM 1306 N GLY A 92 4.942 16.735 -3.121 1.00 0.00 N ATOM 1307 CA GLY A 92 5.440 18.075 -2.916 1.00 0.00 C ATOM 1308 C GLY A 92 4.632 18.825 -1.883 1.00 0.00 C ATOM 1309 O GLY A 92 3.505 19.241 -2.152 1.00 0.00 O ATOM 0 H GLY A 92 3.989 16.579 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.482 18.030 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.417 18.619 -3.860 1.00 0.00 H new ATOM 1313 N GLY A 93 5.195 18.983 -0.697 1.00 0.00 N ATOM 1314 CA GLY A 93 4.512 19.695 0.359 1.00 0.00 C ATOM 1315 C GLY A 93 4.759 19.069 1.710 1.00 0.00 C ATOM 1316 O GLY A 93 5.780 19.403 2.343 1.00 0.00 O ATOM 1317 OXT GLY A 93 3.938 18.241 2.145 1.00 0.00 O ATOM 0 H GLY A 93 6.118 18.629 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.846 20.732 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.441 19.708 0.155 1.00 0.00 H new TER 1321 GLY A 93