USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 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 93 THR OG1 : rot 180:sc= -0.0366 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 150:sc= 0.186 (180deg=0) USER MOD Set 2.1: A 71 ASN : amide:sc= -5.41! C(o=-5.4!,f=-9.8!) USER MOD Set 2.2: A 90 SER OG : rot 81:sc= 0.0178 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.132 F(o=-3.8!,f=0.0033) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -168:sc= 0.135 (180deg=0) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -141:sc= -0.728 (180deg=-1.37!) USER MOD Set 4.2: A 33 ASN : amide:sc= -1.15 K(o=-1.7,f=-3.3) USER MOD Set 4.3: A 36 LYS NZ :NH3+ -148:sc= 0.127 (180deg=0) USER MOD Set 4.4: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot -161:sc= 0.738 USER MOD Set 5.2: A 38 ASN :FLIP amide:sc= -6.73! C(o=-6.9!,f=-6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.01! USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 21 SER OG : rot -169:sc= -3.02 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 7:sc= 0.047 USER MOD Single : A 39 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.728 K(o=0.73,f=-0.88) USER MOD Single : A 56 SER OG : rot -160:sc= -0.859 USER MOD Single : A 64 ASN : amide:sc= -2.11 K(o=-2.1,f=-7.4!) USER MOD Single : A 66 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= -1.87 (180deg=-5.08!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.288 F(o=-1.4,f=-0.29) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.522 F(o=-1.5,f=-0.52) USER MOD Single : A 84 MET CE :methyl -107:sc= -6.09! (180deg=-11!) USER MOD Single : A 86 THR OG1 : rot -142:sc= -1.51! USER MOD Single : A 91 MET CE :methyl -164:sc= -8.71! (180deg=-9.37!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -5.12! C(o=-8.4!,f=-5.1!) USER MOD Single : A 100 MET CE :methyl -167:sc= -7.29! (180deg=-8.46!) USER MOD Single : A 102 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.3) USER MOD Single : A 110 SER OG : rot 3:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -7.208 -12.122 -10.237 1.00 0.00 N ATOM 2 CA GLY A 7 -6.057 -12.954 -10.548 1.00 0.00 C ATOM 3 C GLY A 7 -4.973 -12.245 -11.346 1.00 0.00 C ATOM 4 O GLY A 7 -3.962 -12.858 -11.693 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.626 -13.321 -9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.394 -13.826 -11.109 1.00 0.00 H new ATOM 8 N THR A 8 -5.162 -10.960 -11.643 1.00 0.00 N ATOM 9 CA THR A 8 -4.167 -10.209 -12.406 1.00 0.00 C ATOM 10 C THR A 8 -3.839 -8.875 -11.738 1.00 0.00 C ATOM 11 O THR A 8 -4.632 -7.940 -11.769 1.00 0.00 O ATOM 12 CB THR A 8 -4.621 -10.001 -13.861 1.00 0.00 C ATOM 13 OG1 THR A 8 -4.823 -8.633 -14.151 1.00 0.00 O ATOM 14 CG2 THR A 8 -5.895 -10.739 -14.223 1.00 0.00 C ATOM 0 H THR A 8 -5.985 -10.423 -11.371 1.00 0.00 H new ATOM 0 HA THR A 8 -3.253 -10.803 -12.422 1.00 0.00 H new ATOM 0 HB THR A 8 -3.805 -10.412 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.110 -8.535 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.147 -10.540 -15.265 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.747 -11.810 -14.083 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.708 -10.398 -13.582 1.00 0.00 H new ATOM 22 N ARG A 9 -2.658 -8.803 -11.132 1.00 0.00 N ATOM 23 CA ARG A 9 -2.219 -7.589 -10.452 1.00 0.00 C ATOM 24 C ARG A 9 -1.592 -6.602 -11.431 1.00 0.00 C ATOM 25 O ARG A 9 -0.803 -6.983 -12.296 1.00 0.00 O ATOM 26 CB ARG A 9 -1.219 -7.935 -9.347 1.00 0.00 C ATOM 27 CG ARG A 9 -1.796 -7.802 -7.945 1.00 0.00 C ATOM 28 CD ARG A 9 -1.128 -8.764 -6.976 1.00 0.00 C ATOM 29 NE ARG A 9 -1.155 -8.264 -5.604 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.940 -9.024 -4.533 1.00 0.00 C ATOM 31 NH1 ARG A 9 -0.685 -10.319 -4.671 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.982 -8.489 -3.320 1.00 0.00 N ATOM 0 H ARG A 9 -1.988 -9.571 -11.098 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.096 -7.117 -10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.868 -8.957 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.350 -7.284 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.666 -6.779 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.868 -7.996 -7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.631 -9.730 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.095 -8.928 -7.282 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.350 -7.274 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.653 -10.736 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.521 -10.897 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.179 -7.495 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.817 -9.072 -2.499 1.00 0.00 H new ATOM 46 N GLU A 10 -1.950 -5.330 -11.286 1.00 0.00 N ATOM 47 CA GLU A 10 -1.424 -4.284 -12.153 1.00 0.00 C ATOM 48 C GLU A 10 -0.649 -3.249 -11.342 1.00 0.00 C ATOM 49 O GLU A 10 -1.081 -2.842 -10.262 1.00 0.00 O ATOM 50 CB GLU A 10 -2.562 -3.603 -12.916 1.00 0.00 C ATOM 51 CG GLU A 10 -3.642 -3.030 -12.013 1.00 0.00 C ATOM 52 CD GLU A 10 -4.444 -1.933 -12.688 1.00 0.00 C ATOM 53 OE1 GLU A 10 -3.946 -1.357 -13.677 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.569 -1.652 -12.226 1.00 0.00 O ATOM 0 H GLU A 10 -2.603 -5.000 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.744 -4.746 -12.868 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.149 -2.801 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.014 -4.324 -13.597 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.315 -3.830 -11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.182 -2.634 -11.108 1.00 0.00 H new ATOM 61 N PHE A 11 0.497 -2.829 -11.868 1.00 0.00 N ATOM 62 CA PHE A 11 1.333 -1.843 -11.194 1.00 0.00 C ATOM 63 C PHE A 11 0.865 -0.427 -11.514 1.00 0.00 C ATOM 64 O PHE A 11 0.598 -0.100 -12.670 1.00 0.00 O ATOM 65 CB PHE A 11 2.796 -2.015 -11.609 1.00 0.00 C ATOM 66 CG PHE A 11 3.436 -3.257 -11.057 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.918 -4.508 -11.348 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.558 -3.172 -10.246 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.505 -5.651 -10.841 1.00 0.00 C ATOM 70 CE2 PHE A 11 5.149 -4.311 -9.736 1.00 0.00 C ATOM 71 CZ PHE A 11 4.623 -5.554 -10.034 1.00 0.00 C ATOM 0 H PHE A 11 0.868 -3.157 -12.760 1.00 0.00 H new ATOM 0 HA PHE A 11 1.247 -2.002 -10.119 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.856 -2.038 -12.697 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.364 -1.146 -11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.045 -4.591 -11.979 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.974 -2.204 -10.011 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.090 -6.620 -11.075 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.022 -4.231 -9.105 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.084 -6.447 -9.638 1.00 0.00 H new ATOM 81 N LEU A 12 0.765 0.409 -10.485 1.00 0.00 N ATOM 82 CA LEU A 12 0.325 1.787 -10.663 1.00 0.00 C ATOM 83 C LEU A 12 1.175 2.749 -9.842 1.00 0.00 C ATOM 84 O LEU A 12 1.373 2.551 -8.643 1.00 0.00 O ATOM 85 CB LEU A 12 -1.145 1.934 -10.270 1.00 0.00 C ATOM 86 CG LEU A 12 -2.054 0.789 -10.719 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.187 0.586 -9.723 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.607 1.063 -12.109 1.00 0.00 C ATOM 0 H LEU A 12 0.982 0.156 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 12 0.442 2.037 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.208 2.023 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.526 2.865 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.463 -0.126 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.824 -0.233 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.772 0.345 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.777 1.500 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.252 0.238 -12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.183 1.988 -12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.783 1.159 -12.816 1.00 0.00 H new ATOM 100 N THR A 13 1.663 3.798 -10.493 1.00 0.00 N ATOM 101 CA THR A 13 2.480 4.804 -9.824 1.00 0.00 C ATOM 102 C THR A 13 1.599 5.911 -9.260 1.00 0.00 C ATOM 103 O THR A 13 0.601 6.289 -9.870 1.00 0.00 O ATOM 104 CB THR A 13 3.502 5.394 -10.798 1.00 0.00 C ATOM 105 OG1 THR A 13 4.214 4.366 -11.463 1.00 0.00 O ATOM 106 CG2 THR A 13 4.516 6.294 -10.127 1.00 0.00 C ATOM 0 H THR A 13 1.507 3.975 -11.485 1.00 0.00 H new ATOM 0 HA THR A 13 3.013 4.325 -9.003 1.00 0.00 H new ATOM 0 HB THR A 13 2.920 5.989 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.861 4.764 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.211 6.679 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.002 7.126 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.067 5.726 -9.377 1.00 0.00 H new ATOM 114 N PHE A 14 1.963 6.422 -8.088 1.00 0.00 N ATOM 115 CA PHE A 14 1.183 7.478 -7.453 1.00 0.00 C ATOM 116 C PHE A 14 2.069 8.617 -6.953 1.00 0.00 C ATOM 117 O PHE A 14 2.840 8.451 -6.008 1.00 0.00 O ATOM 118 CB PHE A 14 0.370 6.909 -6.288 1.00 0.00 C ATOM 119 CG PHE A 14 -0.683 5.917 -6.705 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.354 6.054 -7.911 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.001 4.846 -5.884 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.320 5.142 -8.289 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.968 3.932 -6.259 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.627 4.079 -7.463 1.00 0.00 C ATOM 0 H PHE A 14 2.786 6.125 -7.563 1.00 0.00 H new ATOM 0 HA PHE A 14 0.509 7.883 -8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.050 6.428 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.110 7.731 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.119 6.883 -8.562 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.488 4.724 -4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.835 5.260 -9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.208 3.103 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.381 3.364 -7.758 1.00 0.00 H new ATOM 134 N GLU A 15 1.930 9.779 -7.583 1.00 0.00 N ATOM 135 CA GLU A 15 2.691 10.962 -7.197 1.00 0.00 C ATOM 136 C GLU A 15 1.922 11.742 -6.138 1.00 0.00 C ATOM 137 O GLU A 15 0.959 12.440 -6.451 1.00 0.00 O ATOM 138 CB GLU A 15 2.955 11.846 -8.416 1.00 0.00 C ATOM 139 CG GLU A 15 3.418 11.072 -9.640 1.00 0.00 C ATOM 140 CD GLU A 15 2.272 10.678 -10.550 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.419 9.873 -10.119 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.225 11.177 -11.696 1.00 0.00 O ATOM 0 H GLU A 15 1.294 9.927 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 15 3.650 10.648 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.044 12.390 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.710 12.589 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.130 11.678 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.947 10.175 -9.319 1.00 0.00 H new ATOM 149 N VAL A 16 2.337 11.603 -4.883 1.00 0.00 N ATOM 150 CA VAL A 16 1.662 12.280 -3.778 1.00 0.00 C ATOM 151 C VAL A 16 2.417 13.533 -3.340 1.00 0.00 C ATOM 152 O VAL A 16 3.517 13.443 -2.798 1.00 0.00 O ATOM 153 CB VAL A 16 1.491 11.348 -2.560 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.174 11.636 -1.851 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.566 9.886 -2.974 1.00 0.00 C ATOM 0 H VAL A 16 3.134 11.030 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 16 0.678 12.567 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 16 2.310 11.543 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.069 10.970 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.163 12.671 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.654 11.473 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.442 9.252 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.775 9.670 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.535 9.687 -3.432 1.00 0.00 H new ATOM 165 N PRO A 17 1.832 14.724 -3.567 1.00 0.00 N ATOM 166 CA PRO A 17 2.452 15.993 -3.193 1.00 0.00 C ATOM 167 C PRO A 17 2.229 16.350 -1.725 1.00 0.00 C ATOM 168 O PRO A 17 1.188 16.900 -1.367 1.00 0.00 O ATOM 169 CB PRO A 17 1.738 16.994 -4.097 1.00 0.00 C ATOM 170 CG PRO A 17 0.369 16.429 -4.261 1.00 0.00 C ATOM 171 CD PRO A 17 0.516 14.929 -4.210 1.00 0.00 C ATOM 0 HA PRO A 17 3.535 15.971 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.708 17.986 -3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.244 17.095 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.293 16.781 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.070 16.744 -5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.286 14.468 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.486 14.490 -5.207 1.00 0.00 H new ATOM 179 N LEU A 18 3.216 16.047 -0.881 1.00 0.00 N ATOM 180 CA LEU A 18 3.119 16.353 0.545 1.00 0.00 C ATOM 181 C LEU A 18 3.629 17.757 0.837 1.00 0.00 C ATOM 182 O LEU A 18 4.041 18.066 1.955 1.00 0.00 O ATOM 183 CB LEU A 18 3.903 15.337 1.364 1.00 0.00 C ATOM 184 CG LEU A 18 5.415 15.463 1.243 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.996 16.145 2.476 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.049 14.097 1.032 1.00 0.00 C ATOM 0 H LEU A 18 4.086 15.593 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 18 2.067 16.301 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.625 15.442 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.608 14.334 1.055 1.00 0.00 H new ATOM 0 HG LEU A 18 5.641 16.081 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.078 16.226 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.566 17.141 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.761 15.556 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.130 14.207 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.815 13.452 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.657 13.651 0.118 1.00 0.00 H new ATOM 198 N ASN A 19 3.588 18.597 -0.184 1.00 0.00 N ATOM 199 CA ASN A 19 4.030 19.981 -0.086 1.00 0.00 C ATOM 200 C ASN A 19 3.570 20.640 1.216 1.00 0.00 C ATOM 201 O ASN A 19 4.216 21.561 1.715 1.00 0.00 O ATOM 202 CB ASN A 19 3.498 20.766 -1.288 1.00 0.00 C ATOM 203 CG ASN A 19 2.015 21.098 -1.172 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.201 20.110 -0.800 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.607 22.234 -1.411 1.00 0.00 N flip ATOM 0 H ASN A 19 3.246 18.338 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 19 5.120 19.989 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.065 21.691 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.665 20.187 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.263 22.963 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.613 22.447 -1.327 1.00 0.00 H new ATOM 212 N ASP A 20 2.450 20.169 1.758 1.00 0.00 N ATOM 213 CA ASP A 20 1.914 20.728 2.993 1.00 0.00 C ATOM 214 C ASP A 20 1.272 19.649 3.866 1.00 0.00 C ATOM 215 O ASP A 20 0.463 19.954 4.743 1.00 0.00 O ATOM 216 CB ASP A 20 0.888 21.817 2.680 1.00 0.00 C ATOM 217 CG ASP A 20 1.516 23.030 2.022 1.00 0.00 C ATOM 218 OD1 ASP A 20 2.597 23.459 2.477 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.928 23.551 1.052 1.00 0.00 O ATOM 0 H ASP A 20 1.900 19.406 1.363 1.00 0.00 H new ATOM 0 HA ASP A 20 2.747 21.162 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.118 21.410 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.393 22.122 3.602 1.00 0.00 H new ATOM 224 N SER A 21 1.639 18.394 3.630 1.00 0.00 N ATOM 225 CA SER A 21 1.094 17.286 4.409 1.00 0.00 C ATOM 226 C SER A 21 2.175 16.637 5.275 1.00 0.00 C ATOM 227 O SER A 21 1.872 15.848 6.170 1.00 0.00 O ATOM 228 CB SER A 21 0.462 16.243 3.487 1.00 0.00 C ATOM 229 OG SER A 21 1.451 15.521 2.777 1.00 0.00 O ATOM 0 H SER A 21 2.307 18.119 2.910 1.00 0.00 H new ATOM 0 HA SER A 21 0.324 17.687 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.144 15.553 4.075 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.209 16.735 2.783 1.00 0.00 H new ATOM 0 HG SER A 21 1.025 14.988 2.074 1.00 0.00 H new ATOM 235 N GLY A 22 3.436 16.972 5.002 1.00 0.00 N ATOM 236 CA GLY A 22 4.538 16.410 5.765 1.00 0.00 C ATOM 237 C GLY A 22 4.342 16.542 7.264 1.00 0.00 C ATOM 238 O GLY A 22 4.847 15.726 8.034 1.00 0.00 O ATOM 0 H GLY A 22 3.713 17.622 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.651 15.356 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.464 16.909 5.479 1.00 0.00 H new ATOM 242 N SER A 23 3.606 17.570 7.677 1.00 0.00 N ATOM 243 CA SER A 23 3.343 17.800 9.094 1.00 0.00 C ATOM 244 C SER A 23 2.757 16.550 9.744 1.00 0.00 C ATOM 245 O SER A 23 2.971 16.293 10.930 1.00 0.00 O ATOM 246 CB SER A 23 2.384 18.979 9.273 1.00 0.00 C ATOM 247 OG SER A 23 1.871 19.024 10.593 1.00 0.00 O ATOM 0 H SER A 23 3.182 18.256 7.052 1.00 0.00 H new ATOM 0 HA SER A 23 4.289 18.035 9.582 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.903 19.911 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.562 18.894 8.563 1.00 0.00 H new ATOM 0 HG SER A 23 1.262 19.787 10.682 1.00 0.00 H new ATOM 253 N ALA A 24 2.023 15.774 8.954 1.00 0.00 N ATOM 254 CA ALA A 24 1.407 14.545 9.441 1.00 0.00 C ATOM 255 C ALA A 24 2.106 13.317 8.862 1.00 0.00 C ATOM 256 O ALA A 24 1.993 12.216 9.399 1.00 0.00 O ATOM 257 CB ALA A 24 -0.072 14.526 9.091 1.00 0.00 C ATOM 0 H ALA A 24 1.840 15.975 7.971 1.00 0.00 H new ATOM 0 HA ALA A 24 1.514 14.515 10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.521 13.604 9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.566 15.380 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.191 14.580 8.009 1.00 0.00 H new ATOM 263 N GLY A 25 2.825 13.516 7.760 1.00 0.00 N ATOM 264 CA GLY A 25 3.528 12.418 7.122 1.00 0.00 C ATOM 265 C GLY A 25 3.266 12.365 5.632 1.00 0.00 C ATOM 266 O GLY A 25 4.200 12.340 4.828 1.00 0.00 O ATOM 0 H GLY A 25 2.933 14.419 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.599 12.522 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.220 11.477 7.578 1.00 0.00 H new ATOM 270 N LEU A 26 1.989 12.358 5.261 1.00 0.00 N ATOM 271 CA LEU A 26 1.598 12.318 3.857 1.00 0.00 C ATOM 272 C LEU A 26 0.080 12.350 3.710 1.00 0.00 C ATOM 273 O LEU A 26 -0.447 12.925 2.757 1.00 0.00 O ATOM 274 CB LEU A 26 2.159 11.070 3.171 1.00 0.00 C ATOM 275 CG LEU A 26 1.913 10.994 1.662 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.283 12.307 0.990 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.705 9.848 1.053 1.00 0.00 C ATOM 0 H LEU A 26 1.207 12.380 5.915 1.00 0.00 H new ATOM 0 HA LEU A 26 2.014 13.203 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.233 11.027 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.721 10.189 3.640 1.00 0.00 H new ATOM 0 HG LEU A 26 0.851 10.811 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.101 12.231 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.677 13.112 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.338 12.520 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.519 9.807 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.769 10.006 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.396 8.908 1.511 1.00 0.00 H new ATOM 289 N GLY A 27 -0.621 11.728 4.654 1.00 0.00 N ATOM 290 CA GLY A 27 -2.066 11.701 4.600 1.00 0.00 C ATOM 291 C GLY A 27 -2.603 10.316 4.306 1.00 0.00 C ATOM 292 O GLY A 27 -3.495 10.156 3.476 1.00 0.00 O ATOM 0 H GLY A 27 -0.212 11.244 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.470 12.051 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.412 12.393 3.832 1.00 0.00 H new ATOM 296 N VAL A 28 -2.065 9.313 4.994 1.00 0.00 N ATOM 297 CA VAL A 28 -2.507 7.935 4.804 1.00 0.00 C ATOM 298 C VAL A 28 -1.883 7.001 5.836 1.00 0.00 C ATOM 299 O VAL A 28 -0.913 7.352 6.509 1.00 0.00 O ATOM 300 CB VAL A 28 -2.164 7.402 3.391 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.391 7.416 2.493 1.00 0.00 C ATOM 302 CG2 VAL A 28 -1.029 8.199 2.765 1.00 0.00 C ATOM 0 H VAL A 28 -1.325 9.428 5.686 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.590 7.949 4.927 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.831 6.369 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.124 7.037 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.166 6.785 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.763 8.436 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.810 7.803 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.322 9.245 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.141 8.121 3.392 1.00 0.00 H new ATOM 312 N SER A 29 -2.447 5.803 5.941 1.00 0.00 N ATOM 313 CA SER A 29 -1.958 4.794 6.873 1.00 0.00 C ATOM 314 C SER A 29 -2.080 3.410 6.246 1.00 0.00 C ATOM 315 O SER A 29 -3.098 3.090 5.636 1.00 0.00 O ATOM 316 CB SER A 29 -2.743 4.849 8.184 1.00 0.00 C ATOM 317 OG SER A 29 -2.342 5.956 8.973 1.00 0.00 O ATOM 0 H SER A 29 -3.250 5.505 5.387 1.00 0.00 H new ATOM 0 HA SER A 29 -0.910 4.997 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.810 4.918 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.589 3.926 8.743 1.00 0.00 H new ATOM 0 HG SER A 29 -1.724 6.517 8.460 1.00 0.00 H new ATOM 323 N VAL A 30 -1.039 2.598 6.385 1.00 0.00 N ATOM 324 CA VAL A 30 -1.044 1.257 5.811 1.00 0.00 C ATOM 325 C VAL A 30 -0.661 0.201 6.840 1.00 0.00 C ATOM 326 O VAL A 30 0.110 0.465 7.763 1.00 0.00 O ATOM 327 CB VAL A 30 -0.083 1.152 4.613 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.606 1.957 3.433 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.312 1.611 5.005 1.00 0.00 C ATOM 0 H VAL A 30 -0.185 2.842 6.887 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.064 1.074 5.474 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.025 0.107 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.088 1.870 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.583 1.575 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.699 3.005 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.977 1.529 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.274 2.648 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.687 0.985 5.814 1.00 0.00 H new ATOM 339 N LYS A 31 -1.196 -1.002 6.661 1.00 0.00 N ATOM 340 CA LYS A 31 -0.906 -2.112 7.560 1.00 0.00 C ATOM 341 C LYS A 31 -0.228 -3.246 6.799 1.00 0.00 C ATOM 342 O LYS A 31 -0.255 -3.277 5.570 1.00 0.00 O ATOM 343 CB LYS A 31 -2.189 -2.610 8.234 1.00 0.00 C ATOM 344 CG LYS A 31 -3.371 -2.718 7.291 1.00 0.00 C ATOM 345 CD LYS A 31 -3.036 -3.585 6.096 1.00 0.00 C ATOM 346 CE LYS A 31 -4.285 -4.178 5.472 1.00 0.00 C ATOM 347 NZ LYS A 31 -5.167 -4.821 6.486 1.00 0.00 N ATOM 0 H LYS A 31 -1.834 -1.233 5.900 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.227 -1.759 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.000 -3.587 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.447 -1.934 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.226 -3.138 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.663 -1.724 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.503 -2.992 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.366 -4.387 6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.839 -3.394 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.000 -4.915 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.571 -5.694 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.611 -5.050 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.936 -4.169 6.741 1.00 0.00 H new ATOM 361 N GLY A 32 0.381 -4.170 7.530 1.00 0.00 N ATOM 362 CA GLY A 32 1.058 -5.286 6.895 1.00 0.00 C ATOM 363 C GLY A 32 0.357 -6.607 7.133 1.00 0.00 C ATOM 364 O GLY A 32 -0.225 -6.826 8.196 1.00 0.00 O ATOM 0 H GLY A 32 0.419 -4.168 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.124 -5.103 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.079 -5.348 7.272 1.00 0.00 H new ATOM 368 N ASN A 33 0.413 -7.490 6.142 1.00 0.00 N ATOM 369 CA ASN A 33 -0.222 -8.798 6.249 1.00 0.00 C ATOM 370 C ASN A 33 0.734 -9.906 5.822 1.00 0.00 C ATOM 371 O ASN A 33 1.849 -9.640 5.372 1.00 0.00 O ATOM 372 CB ASN A 33 -1.491 -8.848 5.397 1.00 0.00 C ATOM 373 CG ASN A 33 -2.667 -8.170 6.069 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.623 -8.826 6.481 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.603 -6.849 6.183 1.00 0.00 N ATOM 0 H ASN A 33 0.891 -7.324 5.256 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.489 -8.956 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.299 -8.369 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.745 -9.888 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.366 -6.338 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.791 -6.345 5.827 1.00 0.00 H new ATOM 382 N ARG A 34 0.289 -11.150 5.965 1.00 0.00 N ATOM 383 CA ARG A 34 1.100 -12.302 5.593 1.00 0.00 C ATOM 384 C ARG A 34 0.289 -13.290 4.762 1.00 0.00 C ATOM 385 O ARG A 34 -0.937 -13.200 4.695 1.00 0.00 O ATOM 386 CB ARG A 34 1.642 -12.996 6.844 1.00 0.00 C ATOM 387 CG ARG A 34 2.999 -12.475 7.291 1.00 0.00 C ATOM 388 CD ARG A 34 3.049 -12.264 8.797 1.00 0.00 C ATOM 389 NE ARG A 34 4.254 -12.841 9.391 1.00 0.00 N ATOM 390 CZ ARG A 34 4.583 -12.709 10.674 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.802 -12.021 11.499 1.00 0.00 N ATOM 392 NH2 ARG A 34 5.693 -13.267 11.134 1.00 0.00 N ATOM 0 H ARG A 34 -0.631 -11.386 6.337 1.00 0.00 H new ATOM 0 HA ARG A 34 1.937 -11.947 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.928 -12.869 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.719 -14.066 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.776 -13.181 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.213 -11.534 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.013 -11.197 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.168 -12.713 9.256 1.00 0.00 H new ATOM 0 HE ARG A 34 4.879 -13.376 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.945 -11.591 11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.059 -11.923 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.296 -13.798 10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.945 -13.166 12.117 1.00 0.00 H new ATOM 406 N SER A 35 0.980 -14.233 4.130 1.00 0.00 N ATOM 407 CA SER A 35 0.325 -15.240 3.303 1.00 0.00 C ATOM 408 C SER A 35 -0.750 -15.985 4.092 1.00 0.00 C ATOM 409 O SER A 35 -1.678 -16.547 3.511 1.00 0.00 O ATOM 410 CB SER A 35 1.353 -16.232 2.762 1.00 0.00 C ATOM 411 OG SER A 35 0.733 -17.230 1.967 1.00 0.00 O ATOM 0 H SER A 35 1.995 -14.321 4.175 1.00 0.00 H new ATOM 0 HA SER A 35 -0.154 -14.729 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.098 -15.701 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.882 -16.701 3.592 1.00 0.00 H new ATOM 0 HG SER A 35 1.331 -18.002 1.886 1.00 0.00 H new ATOM 417 N LYS A 36 -0.616 -15.990 5.418 1.00 0.00 N ATOM 418 CA LYS A 36 -1.572 -16.668 6.293 1.00 0.00 C ATOM 419 C LYS A 36 -1.443 -18.187 6.189 1.00 0.00 C ATOM 420 O LYS A 36 -2.242 -18.926 6.765 1.00 0.00 O ATOM 421 CB LYS A 36 -3.001 -16.247 5.954 1.00 0.00 C ATOM 422 CG LYS A 36 -3.195 -14.739 5.896 1.00 0.00 C ATOM 423 CD LYS A 36 -4.271 -14.272 6.863 1.00 0.00 C ATOM 424 CE LYS A 36 -3.888 -12.965 7.536 1.00 0.00 C ATOM 425 NZ LYS A 36 -4.530 -11.791 6.881 1.00 0.00 N ATOM 0 H LYS A 36 0.149 -15.530 5.911 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.344 -16.374 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.279 -16.678 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.680 -16.664 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.254 -14.242 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.465 -14.446 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.212 -14.144 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.437 -15.037 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.179 -12.999 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.805 -12.847 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.901 -10.966 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.705 -12.005 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.433 -11.581 7.353 1.00 0.00 H new ATOM 439 N GLU A 37 -0.437 -18.648 5.454 1.00 0.00 N ATOM 440 CA GLU A 37 -0.208 -20.077 5.279 1.00 0.00 C ATOM 441 C GLU A 37 1.252 -20.429 5.544 1.00 0.00 C ATOM 442 O GLU A 37 1.551 -21.439 6.182 1.00 0.00 O ATOM 443 CB GLU A 37 -0.600 -20.508 3.864 1.00 0.00 C ATOM 444 CG GLU A 37 -0.419 -21.994 3.608 1.00 0.00 C ATOM 445 CD GLU A 37 -1.032 -22.439 2.295 1.00 0.00 C ATOM 446 OE1 GLU A 37 -2.254 -22.704 2.270 1.00 0.00 O ATOM 447 OE2 GLU A 37 -0.294 -22.523 1.292 1.00 0.00 O ATOM 0 H GLU A 37 0.234 -18.052 4.969 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.829 -20.611 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.642 -20.242 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.002 -19.949 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.645 -22.232 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.871 -22.557 4.425 1.00 0.00 H new ATOM 454 N ASN A 38 2.160 -19.589 5.052 1.00 0.00 N ATOM 455 CA ASN A 38 3.588 -19.814 5.238 1.00 0.00 C ATOM 456 C ASN A 38 4.254 -18.612 5.908 1.00 0.00 C ATOM 457 O ASN A 38 5.473 -18.448 5.835 1.00 0.00 O ATOM 458 CB ASN A 38 4.259 -20.101 3.892 1.00 0.00 C ATOM 459 CG ASN A 38 4.258 -18.896 2.970 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.091 -18.562 2.429 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 5.296 -18.273 2.744 1.00 0.00 N flip ATOM 0 H ASN A 38 1.931 -18.748 4.522 1.00 0.00 H new ATOM 0 HA ASN A 38 3.710 -20.679 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.287 -20.421 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.745 -20.928 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.171 -18.564 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.281 -17.466 2.120 1.00 0.00 H new ATOM 468 N HIS A 39 3.451 -17.775 6.560 1.00 0.00 N ATOM 469 CA HIS A 39 3.967 -16.591 7.241 1.00 0.00 C ATOM 470 C HIS A 39 4.780 -15.720 6.284 1.00 0.00 C ATOM 471 O HIS A 39 5.817 -15.170 6.656 1.00 0.00 O ATOM 472 CB HIS A 39 4.828 -17.004 8.439 1.00 0.00 C ATOM 473 CG HIS A 39 4.264 -16.570 9.758 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.994 -16.577 10.927 1.00 0.00 N ATOM 475 CD2 HIS A 39 3.033 -16.113 10.088 1.00 0.00 C ATOM 476 CE1 HIS A 39 4.237 -16.145 11.920 1.00 0.00 C ATOM 477 NE2 HIS A 39 3.043 -15.855 11.437 1.00 0.00 N ATOM 0 H HIS A 39 2.441 -17.895 6.631 1.00 0.00 H new ATOM 0 HA HIS A 39 3.119 -16.006 7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.940 -18.088 8.440 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.826 -16.581 8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.199 -15.977 9.416 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.543 -16.046 12.951 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.256 -15.497 11.978 1.00 0.00 H new ATOM 486 N ALA A 40 4.301 -15.601 5.050 1.00 0.00 N ATOM 487 CA ALA A 40 4.980 -14.800 4.041 1.00 0.00 C ATOM 488 C ALA A 40 4.437 -13.376 4.010 1.00 0.00 C ATOM 489 O ALA A 40 3.288 -13.148 3.631 1.00 0.00 O ATOM 490 CB ALA A 40 4.845 -15.451 2.672 1.00 0.00 C ATOM 0 H ALA A 40 3.444 -16.050 4.726 1.00 0.00 H new ATOM 0 HA ALA A 40 6.037 -14.749 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.357 -14.842 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.291 -16.445 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.790 -15.533 2.411 1.00 0.00 H new ATOM 496 N ASP A 41 5.270 -12.421 4.409 1.00 0.00 N ATOM 497 CA ASP A 41 4.875 -11.017 4.425 1.00 0.00 C ATOM 498 C ASP A 41 4.457 -10.555 3.032 1.00 0.00 C ATOM 499 O ASP A 41 5.301 -10.277 2.180 1.00 0.00 O ATOM 500 CB ASP A 41 6.022 -10.147 4.940 1.00 0.00 C ATOM 501 CG ASP A 41 6.653 -10.706 6.201 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.081 -11.878 6.180 1.00 0.00 O ATOM 503 OD2 ASP A 41 6.719 -9.971 7.208 1.00 0.00 O ATOM 0 H ASP A 41 6.224 -12.594 4.726 1.00 0.00 H new ATOM 0 HA ASP A 41 4.022 -10.913 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.783 -10.059 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.651 -9.142 5.138 1.00 0.00 H new ATOM 508 N LEU A 42 3.150 -10.476 2.806 1.00 0.00 N ATOM 509 CA LEU A 42 2.621 -10.049 1.517 1.00 0.00 C ATOM 510 C LEU A 42 3.000 -8.600 1.222 1.00 0.00 C ATOM 511 O LEU A 42 3.264 -8.238 0.077 1.00 0.00 O ATOM 512 CB LEU A 42 1.100 -10.206 1.486 1.00 0.00 C ATOM 513 CG LEU A 42 0.589 -11.611 1.809 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.930 -11.624 1.887 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.078 -12.608 0.768 1.00 0.00 C ATOM 0 H LEU A 42 2.437 -10.702 3.500 1.00 0.00 H new ATOM 0 HA LEU A 42 3.060 -10.684 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.663 -9.504 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.741 -9.923 0.497 1.00 0.00 H new ATOM 0 HG LEU A 42 0.985 -11.905 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.274 -12.632 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.260 -10.940 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.346 -11.309 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.705 -13.602 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.712 -12.316 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.168 -12.621 0.760 1.00 0.00 H new ATOM 527 N GLY A 43 3.024 -7.778 2.265 1.00 0.00 N ATOM 528 CA GLY A 43 3.374 -6.380 2.098 1.00 0.00 C ATOM 529 C GLY A 43 2.449 -5.453 2.863 1.00 0.00 C ATOM 530 O GLY A 43 1.844 -5.853 3.859 1.00 0.00 O ATOM 0 H GLY A 43 2.807 -8.055 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.399 -6.223 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.343 -6.125 1.039 1.00 0.00 H new ATOM 534 N ILE A 44 2.340 -4.212 2.396 1.00 0.00 N ATOM 535 CA ILE A 44 1.480 -3.224 3.043 1.00 0.00 C ATOM 536 C ILE A 44 0.270 -2.900 2.173 1.00 0.00 C ATOM 537 O ILE A 44 0.262 -3.178 0.974 1.00 0.00 O ATOM 538 CB ILE A 44 2.233 -1.908 3.373 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.680 -1.953 2.871 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.206 -1.641 4.871 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.545 -2.953 3.609 1.00 0.00 C ATOM 0 H ILE A 44 2.835 -3.867 1.574 1.00 0.00 H new ATOM 0 HA ILE A 44 1.152 -3.674 3.980 1.00 0.00 H new ATOM 0 HB ILE A 44 1.722 -1.094 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.680 -2.199 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.121 -0.961 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.739 -0.714 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.173 -1.551 5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.687 -2.466 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.556 -2.931 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.575 -2.696 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.128 -3.953 3.490 1.00 0.00 H new ATOM 553 N PHE A 45 -0.753 -2.315 2.787 1.00 0.00 N ATOM 554 CA PHE A 45 -1.976 -1.956 2.075 1.00 0.00 C ATOM 555 C PHE A 45 -2.600 -0.706 2.685 1.00 0.00 C ATOM 556 O PHE A 45 -2.626 -0.548 3.907 1.00 0.00 O ATOM 557 CB PHE A 45 -2.981 -3.112 2.119 1.00 0.00 C ATOM 558 CG PHE A 45 -2.340 -4.472 2.158 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.692 -4.914 3.300 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.383 -5.307 1.053 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.100 -6.161 3.341 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.792 -6.557 1.087 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.150 -6.984 2.234 1.00 0.00 C ATOM 0 H PHE A 45 -0.760 -2.078 3.779 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.718 -1.752 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.617 -2.995 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.629 -3.051 1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.649 -4.275 4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.884 -4.978 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.598 -6.492 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.832 -7.198 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.688 -7.960 2.264 1.00 0.00 H new ATOM 573 N VAL A 46 -3.102 0.180 1.828 1.00 0.00 N ATOM 574 CA VAL A 46 -3.726 1.414 2.289 1.00 0.00 C ATOM 575 C VAL A 46 -4.853 1.119 3.274 1.00 0.00 C ATOM 576 O VAL A 46 -5.936 0.681 2.886 1.00 0.00 O ATOM 577 CB VAL A 46 -4.284 2.242 1.116 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.693 3.630 1.586 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.261 2.334 -0.008 1.00 0.00 C ATOM 0 H VAL A 46 -3.088 0.066 0.815 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.949 1.994 2.788 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.170 1.738 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.084 4.199 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.462 3.542 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.826 4.144 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.673 2.923 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.355 2.813 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.022 1.332 -0.365 1.00 0.00 H new ATOM 589 N LYS A 47 -4.582 1.359 4.551 1.00 0.00 N ATOM 590 CA LYS A 47 -5.555 1.119 5.608 1.00 0.00 C ATOM 591 C LYS A 47 -6.565 2.257 5.687 1.00 0.00 C ATOM 592 O LYS A 47 -7.760 2.030 5.876 1.00 0.00 O ATOM 593 CB LYS A 47 -4.837 0.962 6.951 1.00 0.00 C ATOM 594 CG LYS A 47 -5.773 0.853 8.144 1.00 0.00 C ATOM 595 CD LYS A 47 -6.794 -0.257 7.954 1.00 0.00 C ATOM 596 CE LYS A 47 -6.159 -1.630 8.096 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.033 -2.571 8.850 1.00 0.00 N ATOM 0 H LYS A 47 -3.688 1.723 4.881 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.094 0.200 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.208 0.072 6.913 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.174 1.815 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.192 0.663 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.289 1.802 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.593 -0.147 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.251 -0.167 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.954 -2.039 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.201 -1.536 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.564 -3.496 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.209 -2.194 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.938 -2.681 8.349 1.00 0.00 H new ATOM 611 N SER A 48 -6.074 3.483 5.545 1.00 0.00 N ATOM 612 CA SER A 48 -6.935 4.657 5.605 1.00 0.00 C ATOM 613 C SER A 48 -6.259 5.858 4.956 1.00 0.00 C ATOM 614 O SER A 48 -5.075 5.812 4.623 1.00 0.00 O ATOM 615 CB SER A 48 -7.293 4.981 7.057 1.00 0.00 C ATOM 616 OG SER A 48 -8.689 5.168 7.210 1.00 0.00 O ATOM 0 H SER A 48 -5.087 3.689 5.388 1.00 0.00 H new ATOM 0 HA SER A 48 -7.849 4.435 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.958 4.172 7.706 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.766 5.881 7.372 1.00 0.00 H new ATOM 0 HG SER A 48 -8.891 5.372 8.147 1.00 0.00 H new ATOM 622 N ILE A 49 -7.020 6.932 4.776 1.00 0.00 N ATOM 623 CA ILE A 49 -6.490 8.142 4.163 1.00 0.00 C ATOM 624 C ILE A 49 -6.935 9.384 4.921 1.00 0.00 C ATOM 625 O ILE A 49 -7.966 9.383 5.593 1.00 0.00 O ATOM 626 CB ILE A 49 -6.925 8.267 2.691 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.817 6.910 1.989 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.089 9.316 1.975 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.202 6.947 0.527 1.00 0.00 C ATOM 0 H ILE A 49 -8.002 6.989 5.045 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.404 8.065 4.206 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.967 8.587 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.793 6.547 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.455 6.193 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.410 9.391 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.218 10.281 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.038 9.029 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.100 5.950 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.236 7.279 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.548 7.639 -0.004 1.00 0.00 H new ATOM 641 N ILE A 50 -6.147 10.442 4.803 1.00 0.00 N ATOM 642 CA ILE A 50 -6.444 11.701 5.470 1.00 0.00 C ATOM 643 C ILE A 50 -6.884 12.751 4.455 1.00 0.00 C ATOM 644 O ILE A 50 -6.051 13.394 3.817 1.00 0.00 O ATOM 645 CB ILE A 50 -5.219 12.223 6.255 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.833 11.238 7.363 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.504 13.597 6.844 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.942 10.110 6.903 1.00 0.00 C ATOM 0 H ILE A 50 -5.291 10.453 4.248 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.255 11.517 6.175 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.382 12.312 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.328 11.784 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.742 10.817 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.629 13.946 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.732 14.297 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.355 13.533 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.715 9.458 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.451 9.537 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.015 10.519 6.501 1.00 0.00 H new ATOM 660 N ASN A 51 -8.197 12.910 4.307 1.00 0.00 N ATOM 661 CA ASN A 51 -8.752 13.879 3.364 1.00 0.00 C ATOM 662 C ASN A 51 -8.334 15.301 3.727 1.00 0.00 C ATOM 663 O ASN A 51 -9.125 16.076 4.265 1.00 0.00 O ATOM 664 CB ASN A 51 -10.280 13.779 3.323 1.00 0.00 C ATOM 665 CG ASN A 51 -10.895 13.577 4.695 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.475 12.529 4.981 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.773 14.583 5.554 1.00 0.00 N ATOM 0 H ASN A 51 -8.897 12.381 4.828 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.355 13.644 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.687 14.687 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.568 12.950 2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.168 14.504 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.284 15.434 5.276 1.00 0.00 H new ATOM 674 N GLY A 52 -7.086 15.635 3.425 1.00 0.00 N ATOM 675 CA GLY A 52 -6.575 16.958 3.722 1.00 0.00 C ATOM 676 C GLY A 52 -5.184 17.184 3.157 1.00 0.00 C ATOM 677 O GLY A 52 -4.806 18.316 2.859 1.00 0.00 O ATOM 0 H GLY A 52 -6.416 15.009 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.255 17.706 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.553 17.101 4.802 1.00 0.00 H new ATOM 681 N GLY A 53 -4.417 16.104 3.013 1.00 0.00 N ATOM 682 CA GLY A 53 -3.071 16.220 2.485 1.00 0.00 C ATOM 683 C GLY A 53 -2.907 15.563 1.128 1.00 0.00 C ATOM 684 O GLY A 53 -3.884 15.184 0.485 1.00 0.00 O ATOM 0 H GLY A 53 -4.705 15.155 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.808 17.275 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.371 15.768 3.188 1.00 0.00 H new ATOM 688 N ALA A 54 -1.658 15.448 0.693 1.00 0.00 N ATOM 689 CA ALA A 54 -1.320 14.857 -0.599 1.00 0.00 C ATOM 690 C ALA A 54 -2.148 13.618 -0.932 1.00 0.00 C ATOM 691 O ALA A 54 -2.799 13.567 -1.971 1.00 0.00 O ATOM 692 CB ALA A 54 0.159 14.518 -0.629 1.00 0.00 C ATOM 0 H ALA A 54 -0.848 15.762 1.227 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.557 15.599 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.412 14.077 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.743 15.426 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.386 13.807 0.166 1.00 0.00 H new ATOM 698 N ALA A 55 -2.103 12.612 -0.069 1.00 0.00 N ATOM 699 CA ALA A 55 -2.840 11.374 -0.312 1.00 0.00 C ATOM 700 C ALA A 55 -4.304 11.654 -0.636 1.00 0.00 C ATOM 701 O ALA A 55 -4.934 10.920 -1.397 1.00 0.00 O ATOM 702 CB ALA A 55 -2.728 10.437 0.879 1.00 0.00 C ATOM 0 H ALA A 55 -1.569 12.625 0.800 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.392 10.888 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.284 9.522 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.680 10.193 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.139 10.923 1.764 1.00 0.00 H new ATOM 708 N SER A 56 -4.837 12.726 -0.064 1.00 0.00 N ATOM 709 CA SER A 56 -6.221 13.106 -0.305 1.00 0.00 C ATOM 710 C SER A 56 -6.362 13.735 -1.682 1.00 0.00 C ATOM 711 O SER A 56 -7.111 13.251 -2.530 1.00 0.00 O ATOM 712 CB SER A 56 -6.693 14.087 0.761 1.00 0.00 C ATOM 713 OG SER A 56 -7.983 14.587 0.457 1.00 0.00 O ATOM 0 H SER A 56 -4.332 13.346 0.569 1.00 0.00 H new ATOM 0 HA SER A 56 -6.839 12.209 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.710 13.593 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.987 14.914 0.837 1.00 0.00 H new ATOM 0 HG SER A 56 -8.135 15.421 0.949 1.00 0.00 H new ATOM 719 N LYS A 57 -5.627 14.820 -1.894 1.00 0.00 N ATOM 720 CA LYS A 57 -5.656 15.525 -3.173 1.00 0.00 C ATOM 721 C LYS A 57 -5.204 14.615 -4.311 1.00 0.00 C ATOM 722 O LYS A 57 -5.553 14.834 -5.469 1.00 0.00 O ATOM 723 CB LYS A 57 -4.783 16.787 -3.133 1.00 0.00 C ATOM 724 CG LYS A 57 -3.503 16.647 -2.326 1.00 0.00 C ATOM 725 CD LYS A 57 -3.399 17.726 -1.259 1.00 0.00 C ATOM 726 CE LYS A 57 -1.964 18.186 -1.062 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.885 19.429 -0.246 1.00 0.00 N ATOM 0 H LYS A 57 -5.004 15.232 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.688 15.825 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.524 17.066 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.371 17.606 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.473 15.664 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.642 16.708 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.018 18.577 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.791 17.345 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.393 17.395 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.502 18.360 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.924 19.821 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.566 20.126 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.110 19.209 0.745 1.00 0.00 H new ATOM 741 N ASP A 58 -4.423 13.592 -3.972 1.00 0.00 N ATOM 742 CA ASP A 58 -3.922 12.648 -4.965 1.00 0.00 C ATOM 743 C ASP A 58 -5.068 12.029 -5.759 1.00 0.00 C ATOM 744 O ASP A 58 -5.047 12.011 -6.989 1.00 0.00 O ATOM 745 CB ASP A 58 -3.103 11.548 -4.283 1.00 0.00 C ATOM 746 CG ASP A 58 -1.649 11.554 -4.721 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.262 12.467 -5.479 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.901 10.644 -4.305 1.00 0.00 O ATOM 0 H ASP A 58 -4.124 13.396 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.281 13.194 -5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.155 11.677 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.544 10.577 -4.509 1.00 0.00 H new ATOM 753 N GLY A 59 -6.070 11.525 -5.045 1.00 0.00 N ATOM 754 CA GLY A 59 -7.213 10.915 -5.698 1.00 0.00 C ATOM 755 C GLY A 59 -6.842 9.686 -6.503 1.00 0.00 C ATOM 756 O GLY A 59 -7.279 9.530 -7.644 1.00 0.00 O ATOM 0 H GLY A 59 -6.110 11.528 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.952 10.641 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.683 11.646 -6.356 1.00 0.00 H new ATOM 760 N ARG A 60 -6.038 8.808 -5.912 1.00 0.00 N ATOM 761 CA ARG A 60 -5.617 7.585 -6.588 1.00 0.00 C ATOM 762 C ARG A 60 -5.406 6.450 -5.591 1.00 0.00 C ATOM 763 O ARG A 60 -5.862 5.328 -5.809 1.00 0.00 O ATOM 764 CB ARG A 60 -4.333 7.828 -7.385 1.00 0.00 C ATOM 765 CG ARG A 60 -3.186 8.369 -6.552 1.00 0.00 C ATOM 766 CD ARG A 60 -2.146 9.056 -7.422 1.00 0.00 C ATOM 767 NE ARG A 60 -2.270 10.511 -7.374 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.556 11.343 -8.131 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.685 10.869 -9.012 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.716 12.653 -8.006 1.00 0.00 N ATOM 0 H ARG A 60 -5.666 8.920 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.411 7.294 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.022 6.892 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.545 8.529 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.570 9.075 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.719 7.554 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.148 8.766 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.253 8.716 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.943 10.914 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.559 9.862 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.142 11.512 -9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.385 13.023 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.170 13.291 -8.585 1.00 0.00 H new ATOM 784 N LEU A 61 -4.717 6.748 -4.493 1.00 0.00 N ATOM 785 CA LEU A 61 -4.451 5.749 -3.462 1.00 0.00 C ATOM 786 C LEU A 61 -5.756 5.176 -2.914 1.00 0.00 C ATOM 787 O LEU A 61 -6.483 5.852 -2.187 1.00 0.00 O ATOM 788 CB LEU A 61 -3.632 6.360 -2.322 1.00 0.00 C ATOM 789 CG LEU A 61 -4.055 7.769 -1.903 1.00 0.00 C ATOM 790 CD1 LEU A 61 -4.012 7.912 -0.390 1.00 0.00 C ATOM 791 CD2 LEU A 61 -3.165 8.809 -2.567 1.00 0.00 C ATOM 0 H LEU A 61 -4.333 7.672 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.878 4.940 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.700 5.704 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.584 6.386 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.081 7.934 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.316 8.921 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.691 7.190 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.998 7.728 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.479 9.806 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.130 8.646 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.248 8.721 -3.650 1.00 0.00 H new ATOM 803 N ARG A 62 -6.048 3.930 -3.270 1.00 0.00 N ATOM 804 CA ARG A 62 -7.265 3.271 -2.812 1.00 0.00 C ATOM 805 C ARG A 62 -7.024 2.535 -1.499 1.00 0.00 C ATOM 806 O ARG A 62 -5.976 1.919 -1.307 1.00 0.00 O ATOM 807 CB ARG A 62 -7.776 2.295 -3.873 1.00 0.00 C ATOM 808 CG ARG A 62 -8.065 2.950 -5.214 1.00 0.00 C ATOM 809 CD ARG A 62 -9.526 3.355 -5.334 1.00 0.00 C ATOM 810 NE ARG A 62 -9.769 4.695 -4.806 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.151 4.948 -3.554 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.338 3.956 -2.692 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.346 6.200 -3.162 1.00 0.00 N ATOM 0 H ARG A 62 -5.459 3.357 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.021 4.038 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.037 1.506 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.685 1.818 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.432 3.829 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.810 2.261 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.827 3.318 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.146 2.637 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.638 5.487 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.189 2.991 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.630 4.159 -1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.204 6.968 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.638 6.395 -2.204 1.00 0.00 H new ATOM 827 N VAL A 63 -7.999 2.605 -0.598 1.00 0.00 N ATOM 828 CA VAL A 63 -7.892 1.948 0.699 1.00 0.00 C ATOM 829 C VAL A 63 -7.923 0.427 0.556 1.00 0.00 C ATOM 830 O VAL A 63 -8.894 -0.222 0.948 1.00 0.00 O ATOM 831 CB VAL A 63 -9.029 2.385 1.644 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.799 1.843 3.046 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.151 3.902 1.665 1.00 0.00 C ATOM 0 H VAL A 63 -8.873 3.111 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.935 2.249 1.125 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.966 1.972 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.612 2.163 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.766 0.754 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.854 2.223 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.958 4.193 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.214 4.338 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.368 4.264 0.660 1.00 0.00 H new ATOM 843 N ASN A 64 -6.854 -0.138 -0.006 1.00 0.00 N ATOM 844 CA ASN A 64 -6.760 -1.586 -0.198 1.00 0.00 C ATOM 845 C ASN A 64 -5.579 -1.963 -1.096 1.00 0.00 C ATOM 846 O ASN A 64 -5.104 -3.098 -1.063 1.00 0.00 O ATOM 847 CB ASN A 64 -8.055 -2.138 -0.804 1.00 0.00 C ATOM 848 CG ASN A 64 -8.605 -1.252 -1.903 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.139 -1.292 -3.042 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.603 -0.444 -1.565 1.00 0.00 N ATOM 0 H ASN A 64 -6.042 0.384 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.601 -2.028 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.869 -3.135 -1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.803 -2.244 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.015 0.177 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.958 -0.444 -0.609 1.00 0.00 H new ATOM 857 N ASP A 65 -5.113 -1.012 -1.901 1.00 0.00 N ATOM 858 CA ASP A 65 -3.996 -1.256 -2.809 1.00 0.00 C ATOM 859 C ASP A 65 -2.746 -1.667 -2.040 1.00 0.00 C ATOM 860 O ASP A 65 -2.495 -1.183 -0.936 1.00 0.00 O ATOM 861 CB ASP A 65 -3.710 -0.008 -3.645 1.00 0.00 C ATOM 862 CG ASP A 65 -4.471 -0.004 -4.957 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.671 -0.351 -4.950 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.867 0.346 -5.992 1.00 0.00 O ATOM 0 H ASP A 65 -5.491 -0.066 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.274 -2.074 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.976 0.879 -3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.641 0.053 -3.848 1.00 0.00 H new ATOM 869 N GLN A 66 -1.963 -2.564 -2.636 1.00 0.00 N ATOM 870 CA GLN A 66 -0.735 -3.044 -2.013 1.00 0.00 C ATOM 871 C GLN A 66 0.472 -2.253 -2.508 1.00 0.00 C ATOM 872 O GLN A 66 0.678 -2.109 -3.713 1.00 0.00 O ATOM 873 CB GLN A 66 -0.541 -4.533 -2.308 1.00 0.00 C ATOM 874 CG GLN A 66 0.305 -5.254 -1.272 1.00 0.00 C ATOM 875 CD GLN A 66 1.775 -4.892 -1.366 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.338 -4.289 -0.453 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.404 -5.258 -2.477 1.00 0.00 N ATOM 0 H GLN A 66 -2.159 -2.972 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.821 -2.901 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.518 -5.014 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.074 -4.643 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.062 -5.011 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.191 -6.330 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.898 -5.757 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.393 -5.040 -2.598 1.00 0.00 H new ATOM 886 N LEU A 67 1.265 -1.743 -1.573 1.00 0.00 N ATOM 887 CA LEU A 67 2.451 -0.966 -1.915 1.00 0.00 C ATOM 888 C LEU A 67 3.536 -1.858 -2.511 1.00 0.00 C ATOM 889 O LEU A 67 3.673 -3.022 -2.134 1.00 0.00 O ATOM 890 CB LEU A 67 2.988 -0.244 -0.678 1.00 0.00 C ATOM 891 CG LEU A 67 2.059 0.824 -0.097 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.501 1.210 1.306 1.00 0.00 C ATOM 893 CD2 LEU A 67 2.024 2.046 -1.002 1.00 0.00 C ATOM 0 H LEU A 67 1.108 -1.854 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 67 2.166 -0.226 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.194 -0.984 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.939 0.223 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 67 1.052 0.411 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.829 1.971 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.476 0.331 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.516 1.605 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.359 2.796 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.028 2.461 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.660 1.758 -1.988 1.00 0.00 H new ATOM 905 N ILE A 68 4.305 -1.304 -3.445 1.00 0.00 N ATOM 906 CA ILE A 68 5.377 -2.050 -4.095 1.00 0.00 C ATOM 907 C ILE A 68 6.673 -1.247 -4.127 1.00 0.00 C ATOM 908 O ILE A 68 7.752 -1.788 -3.892 1.00 0.00 O ATOM 909 CB ILE A 68 4.994 -2.445 -5.537 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.698 -3.259 -5.539 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.123 -3.228 -6.198 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.288 -3.738 -6.914 1.00 0.00 C ATOM 0 H ILE A 68 4.205 -0.342 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 68 5.531 -2.954 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 68 4.830 -1.534 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.819 -4.122 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.896 -2.651 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.833 -3.497 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.023 -2.614 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.321 -4.134 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.362 -4.308 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.134 -2.879 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.072 -4.373 -7.327 1.00 0.00 H new ATOM 924 N ALA A 69 6.567 0.044 -4.426 1.00 0.00 N ATOM 925 CA ALA A 69 7.742 0.906 -4.492 1.00 0.00 C ATOM 926 C ALA A 69 7.434 2.309 -3.982 1.00 0.00 C ATOM 927 O ALA A 69 6.274 2.692 -3.837 1.00 0.00 O ATOM 928 CB ALA A 69 8.268 0.967 -5.918 1.00 0.00 C ATOM 0 H ALA A 69 5.684 0.514 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 69 8.509 0.478 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.145 1.613 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.542 -0.035 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.495 1.367 -6.574 1.00 0.00 H new ATOM 934 N VAL A 70 8.490 3.072 -3.712 1.00 0.00 N ATOM 935 CA VAL A 70 8.346 4.437 -3.218 1.00 0.00 C ATOM 936 C VAL A 70 9.580 5.269 -3.554 1.00 0.00 C ATOM 937 O VAL A 70 10.631 5.120 -2.930 1.00 0.00 O ATOM 938 CB VAL A 70 8.112 4.460 -1.694 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.275 3.809 -0.960 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.892 5.885 -1.204 1.00 0.00 C ATOM 0 H VAL A 70 9.456 2.767 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 70 7.476 4.869 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 70 7.211 3.885 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.089 3.836 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.376 2.773 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.195 4.350 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.729 5.878 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.770 6.489 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.019 6.310 -1.700 1.00 0.00 H new ATOM 950 N ASN A 71 9.445 6.143 -4.545 1.00 0.00 N ATOM 951 CA ASN A 71 10.550 6.997 -4.967 1.00 0.00 C ATOM 952 C ASN A 71 11.729 6.159 -5.447 1.00 0.00 C ATOM 953 O ASN A 71 12.886 6.541 -5.272 1.00 0.00 O ATOM 954 CB ASN A 71 10.990 7.905 -3.819 1.00 0.00 C ATOM 955 CG ASN A 71 9.832 8.663 -3.202 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.131 9.412 -3.883 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.623 8.471 -1.904 1.00 0.00 N ATOM 0 H ASN A 71 8.582 6.279 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 71 10.203 7.615 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.477 7.304 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.731 8.615 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.857 8.953 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.228 7.841 -1.378 1.00 0.00 H new ATOM 964 N GLY A 72 11.429 5.015 -6.053 1.00 0.00 N ATOM 965 CA GLY A 72 12.476 4.142 -6.547 1.00 0.00 C ATOM 966 C GLY A 72 12.866 3.072 -5.545 1.00 0.00 C ATOM 967 O GLY A 72 13.502 2.080 -5.902 1.00 0.00 O ATOM 0 H GLY A 72 10.479 4.677 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.142 3.666 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.354 4.738 -6.796 1.00 0.00 H new ATOM 971 N GLU A 73 12.485 3.269 -4.286 1.00 0.00 N ATOM 972 CA GLU A 73 12.801 2.313 -3.233 1.00 0.00 C ATOM 973 C GLU A 73 11.813 1.151 -3.243 1.00 0.00 C ATOM 974 O GLU A 73 10.681 1.280 -2.778 1.00 0.00 O ATOM 975 CB GLU A 73 12.787 2.999 -1.866 1.00 0.00 C ATOM 976 CG GLU A 73 13.855 2.486 -0.915 1.00 0.00 C ATOM 977 CD GLU A 73 14.240 3.508 0.137 1.00 0.00 C ATOM 978 OE1 GLU A 73 13.407 4.389 0.441 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.371 3.427 0.658 1.00 0.00 O ATOM 0 H GLU A 73 11.957 4.083 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 73 13.800 1.921 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.922 4.071 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.808 2.858 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.495 1.582 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.741 2.207 -1.486 1.00 0.00 H new ATOM 986 N SER A 74 12.250 0.015 -3.778 1.00 0.00 N ATOM 987 CA SER A 74 11.405 -1.170 -3.851 1.00 0.00 C ATOM 988 C SER A 74 10.976 -1.623 -2.459 1.00 0.00 C ATOM 989 O SER A 74 11.731 -1.500 -1.495 1.00 0.00 O ATOM 990 CB SER A 74 12.143 -2.303 -4.565 1.00 0.00 C ATOM 991 OG SER A 74 11.515 -3.551 -4.328 1.00 0.00 O ATOM 0 H SER A 74 13.185 -0.109 -4.167 1.00 0.00 H new ATOM 0 HA SER A 74 10.511 -0.913 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.171 -2.104 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.177 -2.341 -4.221 1.00 0.00 H new ATOM 0 HG SER A 74 12.005 -4.258 -4.797 1.00 0.00 H new ATOM 997 N LEU A 75 9.758 -2.142 -2.363 1.00 0.00 N ATOM 998 CA LEU A 75 9.223 -2.612 -1.089 1.00 0.00 C ATOM 999 C LEU A 75 8.970 -4.120 -1.112 1.00 0.00 C ATOM 1000 O LEU A 75 8.752 -4.734 -0.069 1.00 0.00 O ATOM 1001 CB LEU A 75 7.921 -1.876 -0.757 1.00 0.00 C ATOM 1002 CG LEU A 75 8.090 -0.512 -0.080 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.748 -0.003 0.423 1.00 0.00 C ATOM 1004 CD2 LEU A 75 9.089 -0.595 1.064 1.00 0.00 C ATOM 0 H LEU A 75 9.121 -2.249 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 75 9.966 -2.402 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.357 -1.737 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.319 -2.512 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 75 8.477 0.191 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.883 0.967 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.060 0.099 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.338 -0.710 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.192 0.385 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.735 -1.312 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.057 -0.918 0.679 1.00 0.00 H new ATOM 1016 N LEU A 76 8.998 -4.714 -2.304 1.00 0.00 N ATOM 1017 CA LEU A 76 8.769 -6.149 -2.445 1.00 0.00 C ATOM 1018 C LEU A 76 9.656 -6.938 -1.484 1.00 0.00 C ATOM 1019 O LEU A 76 9.167 -7.749 -0.699 1.00 0.00 O ATOM 1020 CB LEU A 76 9.026 -6.586 -3.891 1.00 0.00 C ATOM 1021 CG LEU A 76 7.769 -6.806 -4.742 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.225 -8.210 -4.537 1.00 0.00 C ATOM 1023 CD2 LEU A 76 6.705 -5.767 -4.414 1.00 0.00 C ATOM 0 H LEU A 76 9.176 -4.226 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 76 7.729 -6.357 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.646 -5.832 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.602 -7.511 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 76 8.044 -6.692 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.333 -8.348 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.981 -8.939 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.970 -8.352 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.823 -5.943 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.434 -5.844 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.096 -4.770 -4.616 1.00 0.00 H new ATOM 1035 N GLY A 77 10.959 -6.683 -1.542 1.00 0.00 N ATOM 1036 CA GLY A 77 11.884 -7.367 -0.659 1.00 0.00 C ATOM 1037 C GLY A 77 11.674 -6.977 0.792 1.00 0.00 C ATOM 1038 O GLY A 77 12.004 -7.737 1.703 1.00 0.00 O ATOM 0 H GLY A 77 11.390 -6.017 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.760 -8.444 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.907 -7.133 -0.953 1.00 0.00 H new ATOM 1042 N LYS A 78 11.116 -5.788 1.000 1.00 0.00 N ATOM 1043 CA LYS A 78 10.850 -5.282 2.341 1.00 0.00 C ATOM 1044 C LYS A 78 9.681 -6.013 2.977 1.00 0.00 C ATOM 1045 O LYS A 78 8.692 -6.327 2.315 1.00 0.00 O ATOM 1046 CB LYS A 78 10.538 -3.788 2.292 1.00 0.00 C ATOM 1047 CG LYS A 78 11.744 -2.920 1.978 1.00 0.00 C ATOM 1048 CD LYS A 78 12.029 -1.934 3.099 1.00 0.00 C ATOM 1049 CE LYS A 78 13.421 -2.118 3.678 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.791 -3.556 3.810 1.00 0.00 N ATOM 0 H LYS A 78 10.838 -5.154 0.251 1.00 0.00 H new ATOM 0 HA LYS A 78 11.743 -5.451 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.769 -3.611 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.121 -3.482 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.617 -3.553 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.570 -2.376 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.925 -0.917 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.288 -2.059 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.147 -1.615 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.472 -1.640 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.374 -3.688 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.928 -4.131 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.330 -3.854 2.972 1.00 0.00 H new ATOM 1064 N ALA A 79 9.794 -6.252 4.272 1.00 0.00 N ATOM 1065 CA ALA A 79 8.743 -6.914 5.015 1.00 0.00 C ATOM 1066 C ALA A 79 7.728 -5.882 5.473 1.00 0.00 C ATOM 1067 O ALA A 79 7.779 -4.728 5.054 1.00 0.00 O ATOM 1068 CB ALA A 79 9.325 -7.666 6.201 1.00 0.00 C ATOM 0 H ALA A 79 10.608 -5.995 4.830 1.00 0.00 H new ATOM 0 HA ALA A 79 8.245 -7.640 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.522 -8.158 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.033 -8.414 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.838 -6.965 6.860 1.00 0.00 H new ATOM 1074 N ASN A 80 6.811 -6.285 6.336 1.00 0.00 N ATOM 1075 CA ASN A 80 5.801 -5.365 6.835 1.00 0.00 C ATOM 1076 C ASN A 80 6.456 -4.203 7.579 1.00 0.00 C ATOM 1077 O ASN A 80 6.132 -3.040 7.342 1.00 0.00 O ATOM 1078 CB ASN A 80 4.822 -6.097 7.758 1.00 0.00 C ATOM 1079 CG ASN A 80 4.395 -7.442 7.202 1.00 0.00 C ATOM 1080 OD1 ASN A 80 4.703 -8.510 7.929 1.00 0.00 O flip ATOM 1081 ND2 ASN A 80 3.793 -7.521 6.130 1.00 0.00 N flip ATOM 0 H ASN A 80 6.744 -7.234 6.704 1.00 0.00 H new ATOM 0 HA ASN A 80 5.249 -4.966 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.286 -6.242 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.940 -5.475 7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.576 -6.675 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.511 -8.433 5.769 1.00 0.00 H new ATOM 1088 N GLN A 81 7.371 -4.530 8.487 1.00 0.00 N ATOM 1089 CA GLN A 81 8.066 -3.522 9.282 1.00 0.00 C ATOM 1090 C GLN A 81 9.040 -2.681 8.453 1.00 0.00 C ATOM 1091 O GLN A 81 9.083 -1.458 8.597 1.00 0.00 O ATOM 1092 CB GLN A 81 8.812 -4.181 10.446 1.00 0.00 C ATOM 1093 CG GLN A 81 9.557 -5.450 10.060 1.00 0.00 C ATOM 1094 CD GLN A 81 11.004 -5.438 10.512 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.714 -4.361 10.199 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.480 -6.388 11.134 1.00 0.00 N flip ATOM 0 H GLN A 81 7.649 -5.490 8.691 1.00 0.00 H new ATOM 0 HA GLN A 81 7.302 -2.847 9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.522 -3.466 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.098 -4.416 11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.051 -6.311 10.497 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.519 -5.574 8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.898 -7.197 11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.456 -6.366 11.430 1.00 0.00 H new ATOM 1105 N GLU A 82 9.839 -3.326 7.605 1.00 0.00 N ATOM 1106 CA GLU A 82 10.815 -2.609 6.794 1.00 0.00 C ATOM 1107 C GLU A 82 10.135 -1.677 5.802 1.00 0.00 C ATOM 1108 O GLU A 82 10.565 -0.539 5.616 1.00 0.00 O ATOM 1109 CB GLU A 82 11.723 -3.589 6.048 1.00 0.00 C ATOM 1110 CG GLU A 82 12.085 -4.827 6.853 1.00 0.00 C ATOM 1111 CD GLU A 82 13.575 -5.108 6.855 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.069 -5.698 5.871 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.248 -4.739 7.841 1.00 0.00 O ATOM 0 H GLU A 82 9.829 -4.336 7.464 1.00 0.00 H new ATOM 0 HA GLU A 82 11.422 -2.006 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.229 -3.898 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.639 -3.073 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.742 -4.701 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.557 -5.689 6.444 1.00 0.00 H new ATOM 1120 N ALA A 83 9.073 -2.156 5.166 1.00 0.00 N ATOM 1121 CA ALA A 83 8.352 -1.345 4.200 1.00 0.00 C ATOM 1122 C ALA A 83 7.639 -0.210 4.908 1.00 0.00 C ATOM 1123 O ALA A 83 7.508 0.891 4.372 1.00 0.00 O ATOM 1124 CB ALA A 83 7.371 -2.197 3.415 1.00 0.00 C ATOM 0 H ALA A 83 8.696 -3.094 5.302 1.00 0.00 H new ATOM 0 HA ALA A 83 9.065 -0.919 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.840 -1.572 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.913 -2.980 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.655 -2.651 4.100 1.00 0.00 H new ATOM 1130 N MET A 84 7.194 -0.485 6.126 1.00 0.00 N ATOM 1131 CA MET A 84 6.509 0.516 6.926 1.00 0.00 C ATOM 1132 C MET A 84 7.476 1.626 7.317 1.00 0.00 C ATOM 1133 O MET A 84 7.082 2.779 7.490 1.00 0.00 O ATOM 1134 CB MET A 84 5.900 -0.115 8.175 1.00 0.00 C ATOM 1135 CG MET A 84 4.396 -0.272 8.074 1.00 0.00 C ATOM 1136 SD MET A 84 3.742 -1.486 9.227 1.00 0.00 S ATOM 1137 CE MET A 84 3.556 -2.884 8.130 1.00 0.00 C ATOM 0 H MET A 84 7.296 -1.393 6.580 1.00 0.00 H new ATOM 0 HA MET A 84 5.703 0.942 6.328 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.353 -1.092 8.342 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.140 0.500 9.042 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.922 0.691 8.260 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.134 -0.565 7.057 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.498 -3.044 7.921 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.085 -2.688 7.197 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.971 -3.775 8.602 1.00 0.00 H new ATOM 1147 N GLU A 85 8.748 1.264 7.447 1.00 0.00 N ATOM 1148 CA GLU A 85 9.784 2.221 7.808 1.00 0.00 C ATOM 1149 C GLU A 85 10.260 2.968 6.571 1.00 0.00 C ATOM 1150 O GLU A 85 10.550 4.160 6.627 1.00 0.00 O ATOM 1151 CB GLU A 85 10.951 1.503 8.510 1.00 0.00 C ATOM 1152 CG GLU A 85 12.168 1.261 7.625 1.00 0.00 C ATOM 1153 CD GLU A 85 13.081 0.182 8.175 1.00 0.00 C ATOM 1154 OE1 GLU A 85 12.613 -0.625 9.004 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.264 0.145 7.775 1.00 0.00 O ATOM 0 H GLU A 85 9.085 0.312 7.307 1.00 0.00 H new ATOM 0 HA GLU A 85 9.370 2.950 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.257 2.093 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.596 0.544 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.836 0.977 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.729 2.190 7.523 1.00 0.00 H new ATOM 1162 N THR A 86 10.315 2.266 5.446 1.00 0.00 N ATOM 1163 CA THR A 86 10.726 2.885 4.196 1.00 0.00 C ATOM 1164 C THR A 86 9.721 3.966 3.825 1.00 0.00 C ATOM 1165 O THR A 86 10.084 5.023 3.309 1.00 0.00 O ATOM 1166 CB THR A 86 10.831 1.836 3.083 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.089 1.188 3.130 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.666 2.409 1.692 1.00 0.00 C ATOM 0 H THR A 86 10.082 1.276 5.375 1.00 0.00 H new ATOM 0 HA THR A 86 11.711 3.335 4.320 1.00 0.00 H new ATOM 0 HB THR A 86 10.013 1.140 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.406 1.022 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.752 1.609 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.686 2.878 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.441 3.154 1.511 1.00 0.00 H new ATOM 1176 N LEU A 87 8.454 3.698 4.125 1.00 0.00 N ATOM 1177 CA LEU A 87 7.391 4.651 3.861 1.00 0.00 C ATOM 1178 C LEU A 87 7.555 5.831 4.800 1.00 0.00 C ATOM 1179 O LEU A 87 7.680 6.974 4.365 1.00 0.00 O ATOM 1180 CB LEU A 87 6.021 3.997 4.060 1.00 0.00 C ATOM 1181 CG LEU A 87 5.623 2.987 2.982 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.391 2.205 3.414 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.373 3.692 1.658 1.00 0.00 C ATOM 0 H LEU A 87 8.142 2.826 4.552 1.00 0.00 H new ATOM 0 HA LEU A 87 7.452 4.991 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.012 3.495 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.264 4.780 4.100 1.00 0.00 H new ATOM 0 HG LEU A 87 6.445 2.284 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.122 1.491 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.606 1.670 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.562 2.893 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.091 2.958 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.568 4.417 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.281 4.207 1.343 1.00 0.00 H new ATOM 1195 N ARG A 88 7.593 5.536 6.096 1.00 0.00 N ATOM 1196 CA ARG A 88 7.785 6.562 7.109 1.00 0.00 C ATOM 1197 C ARG A 88 9.082 7.318 6.827 1.00 0.00 C ATOM 1198 O ARG A 88 9.206 8.504 7.131 1.00 0.00 O ATOM 1199 CB ARG A 88 7.798 5.942 8.516 1.00 0.00 C ATOM 1200 CG ARG A 88 9.183 5.584 9.039 1.00 0.00 C ATOM 1201 CD ARG A 88 9.110 4.946 10.417 1.00 0.00 C ATOM 1202 NE ARG A 88 8.088 3.905 10.486 1.00 0.00 N ATOM 1203 CZ ARG A 88 7.562 3.457 11.623 1.00 0.00 C ATOM 1204 NH1 ARG A 88 7.959 3.952 12.790 1.00 0.00 N ATOM 1205 NH2 ARG A 88 6.633 2.510 11.596 1.00 0.00 N ATOM 0 H ARG A 88 7.493 4.591 6.468 1.00 0.00 H new ATOM 0 HA ARG A 88 6.953 7.265 7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.331 6.640 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.183 5.042 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.669 4.899 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.799 6.482 9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.080 4.519 10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.896 5.714 11.161 1.00 0.00 H new ATOM 0 HE ARG A 88 7.758 3.497 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.672 4.681 12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.551 3.603 13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.322 2.126 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.230 2.166 12.468 1.00 0.00 H new ATOM 1219 N ARG A 89 10.036 6.616 6.212 1.00 0.00 N ATOM 1220 CA ARG A 89 11.312 7.216 5.852 1.00 0.00 C ATOM 1221 C ARG A 89 11.095 8.225 4.741 1.00 0.00 C ATOM 1222 O ARG A 89 11.469 9.392 4.856 1.00 0.00 O ATOM 1223 CB ARG A 89 12.301 6.143 5.391 1.00 0.00 C ATOM 1224 CG ARG A 89 13.382 5.844 6.411 1.00 0.00 C ATOM 1225 CD ARG A 89 14.405 4.860 5.869 1.00 0.00 C ATOM 1226 NE ARG A 89 14.741 3.825 6.842 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.508 4.031 7.911 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.021 5.234 8.145 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.763 3.034 8.746 1.00 0.00 N ATOM 0 H ARG A 89 9.945 5.633 5.955 1.00 0.00 H new ATOM 0 HA ARG A 89 11.728 7.715 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.755 5.226 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.769 6.466 4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.882 6.770 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.928 5.437 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.015 4.394 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.310 5.398 5.585 1.00 0.00 H new ATOM 0 HE ARG A 89 14.366 2.888 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.828 6.004 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.608 5.387 8.965 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.372 2.109 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.351 3.192 9.565 1.00 0.00 H new ATOM 1243 N SER A 90 10.464 7.763 3.668 1.00 0.00 N ATOM 1244 CA SER A 90 10.165 8.619 2.536 1.00 0.00 C ATOM 1245 C SER A 90 9.230 9.742 2.972 1.00 0.00 C ATOM 1246 O SER A 90 9.259 10.845 2.427 1.00 0.00 O ATOM 1247 CB SER A 90 9.529 7.810 1.405 1.00 0.00 C ATOM 1248 OG SER A 90 10.481 6.964 0.784 1.00 0.00 O ATOM 0 H SER A 90 10.151 6.798 3.562 1.00 0.00 H new ATOM 0 HA SER A 90 11.095 9.052 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.708 7.211 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.102 8.487 0.665 1.00 0.00 H new ATOM 0 HG SER A 90 10.593 6.150 1.318 1.00 0.00 H new ATOM 1254 N MET A 91 8.402 9.438 3.967 1.00 0.00 N ATOM 1255 CA MET A 91 7.449 10.396 4.507 1.00 0.00 C ATOM 1256 C MET A 91 8.105 11.294 5.556 1.00 0.00 C ATOM 1257 O MET A 91 7.531 12.303 5.967 1.00 0.00 O ATOM 1258 CB MET A 91 6.271 9.653 5.143 1.00 0.00 C ATOM 1259 CG MET A 91 5.249 9.156 4.134 1.00 0.00 C ATOM 1260 SD MET A 91 4.850 7.411 4.329 1.00 0.00 S ATOM 1261 CE MET A 91 5.248 6.808 2.692 1.00 0.00 C ATOM 0 H MET A 91 8.374 8.524 4.419 1.00 0.00 H new ATOM 0 HA MET A 91 7.096 11.021 3.687 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.652 8.804 5.710 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.776 10.315 5.853 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.336 9.744 4.231 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.631 9.324 3.127 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.801 5.824 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.856 7.498 1.945 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.330 6.734 2.585 1.00 0.00 H new ATOM 1271 N SER A 92 9.298 10.908 6.005 1.00 0.00 N ATOM 1272 CA SER A 92 10.012 11.668 7.026 1.00 0.00 C ATOM 1273 C SER A 92 10.959 12.704 6.427 1.00 0.00 C ATOM 1274 O SER A 92 10.973 13.858 6.855 1.00 0.00 O ATOM 1275 CB SER A 92 10.793 10.719 7.936 1.00 0.00 C ATOM 1276 OG SER A 92 11.575 11.438 8.875 1.00 0.00 O ATOM 0 H SER A 92 9.788 10.076 5.678 1.00 0.00 H new ATOM 0 HA SER A 92 9.263 12.207 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.100 10.063 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.439 10.082 7.332 1.00 0.00 H new ATOM 0 HG SER A 92 12.063 10.808 9.445 1.00 0.00 H new ATOM 1282 N THR A 93 11.766 12.291 5.455 1.00 0.00 N ATOM 1283 CA THR A 93 12.726 13.203 4.836 1.00 0.00 C ATOM 1284 C THR A 93 13.478 12.544 3.681 1.00 0.00 C ATOM 1285 O THR A 93 14.697 12.384 3.735 1.00 0.00 O ATOM 1286 CB THR A 93 13.726 13.682 5.884 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.621 14.632 5.333 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.549 12.552 6.464 1.00 0.00 C ATOM 0 H THR A 93 11.777 11.342 5.081 1.00 0.00 H new ATOM 0 HA THR A 93 12.167 14.047 4.432 1.00 0.00 H new ATOM 0 HB THR A 93 13.129 14.130 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.252 14.926 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.243 12.950 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.888 11.827 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.109 12.063 5.667 1.00 0.00 H new ATOM 1296 N GLU A 94 12.750 12.177 2.637 1.00 0.00 N ATOM 1297 CA GLU A 94 13.342 11.550 1.462 1.00 0.00 C ATOM 1298 C GLU A 94 12.341 11.558 0.326 1.00 0.00 C ATOM 1299 O GLU A 94 12.630 12.020 -0.777 1.00 0.00 O ATOM 1300 CB GLU A 94 13.773 10.114 1.769 1.00 0.00 C ATOM 1301 CG GLU A 94 15.046 10.024 2.589 1.00 0.00 C ATOM 1302 CD GLU A 94 15.849 8.772 2.287 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.807 8.306 1.130 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.518 8.259 3.208 1.00 0.00 O ATOM 0 H GLU A 94 11.740 12.304 2.579 1.00 0.00 H new ATOM 0 HA GLU A 94 14.227 12.117 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.969 9.609 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.917 9.578 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.662 10.902 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.793 10.042 3.649 1.00 0.00 H new ATOM 1311 N GLY A 95 11.143 11.074 0.621 1.00 0.00 N ATOM 1312 CA GLY A 95 10.093 11.066 -0.369 1.00 0.00 C ATOM 1313 C GLY A 95 9.698 12.477 -0.722 1.00 0.00 C ATOM 1314 O GLY A 95 9.321 12.766 -1.856 1.00 0.00 O ATOM 0 H GLY A 95 10.882 10.688 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.430 10.541 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.228 10.523 0.012 1.00 0.00 H new ATOM 1318 N ASN A 96 9.813 13.366 0.262 1.00 0.00 N ATOM 1319 CA ASN A 96 9.495 14.767 0.066 1.00 0.00 C ATOM 1320 C ASN A 96 10.712 15.502 -0.500 1.00 0.00 C ATOM 1321 O ASN A 96 11.047 15.333 -1.672 1.00 0.00 O ATOM 1322 CB ASN A 96 9.032 15.404 1.385 1.00 0.00 C ATOM 1323 CG ASN A 96 8.772 16.894 1.253 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.266 17.311 0.098 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.025 17.662 2.182 1.00 0.00 N flip ATOM 0 H ASN A 96 10.126 13.134 1.205 1.00 0.00 H new ATOM 0 HA ASN A 96 8.677 14.849 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.122 14.909 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.790 15.237 2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.413 17.299 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.846 18.661 2.081 1.00 0.00 H new ATOM 1332 N LYS A 97 11.381 16.307 0.328 1.00 0.00 N ATOM 1333 CA LYS A 97 12.562 17.046 -0.108 1.00 0.00 C ATOM 1334 C LYS A 97 12.309 17.802 -1.419 1.00 0.00 C ATOM 1335 O LYS A 97 13.251 18.266 -2.062 1.00 0.00 O ATOM 1336 CB LYS A 97 13.739 16.080 -0.269 1.00 0.00 C ATOM 1337 CG LYS A 97 13.903 15.121 0.899 1.00 0.00 C ATOM 1338 CD LYS A 97 13.985 15.862 2.224 1.00 0.00 C ATOM 1339 CE LYS A 97 15.180 16.799 2.264 1.00 0.00 C ATOM 1340 NZ LYS A 97 15.533 17.190 3.656 1.00 0.00 N ATOM 0 H LYS A 97 11.123 16.462 1.303 1.00 0.00 H new ATOM 0 HA LYS A 97 12.799 17.789 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.603 15.504 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.657 16.656 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.063 14.427 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.805 14.526 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.069 16.432 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.057 15.143 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.037 16.315 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.960 17.693 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.555 17.371 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.013 18.052 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.278 16.421 4.308 1.00 0.00 H new ATOM 1354 N ARG A 98 11.039 17.919 -1.817 1.00 0.00 N ATOM 1355 CA ARG A 98 10.675 18.611 -3.049 1.00 0.00 C ATOM 1356 C ARG A 98 9.244 19.131 -2.965 1.00 0.00 C ATOM 1357 O ARG A 98 8.953 20.264 -3.353 1.00 0.00 O ATOM 1358 CB ARG A 98 10.794 17.680 -4.268 1.00 0.00 C ATOM 1359 CG ARG A 98 11.798 16.542 -4.117 1.00 0.00 C ATOM 1360 CD ARG A 98 11.154 15.187 -4.371 1.00 0.00 C ATOM 1361 NE ARG A 98 10.935 14.943 -5.794 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.160 13.970 -6.270 1.00 0.00 C ATOM 1363 NH1 ARG A 98 9.530 13.150 -5.439 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.016 13.818 -7.579 1.00 0.00 N ATOM 0 H ARG A 98 10.246 17.541 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 98 11.366 19.445 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.813 17.253 -4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.073 18.277 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.623 16.689 -4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.222 16.561 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.789 14.401 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.202 15.134 -3.843 1.00 0.00 H new ATOM 0 HE ARG A 98 11.403 15.554 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.638 13.263 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.937 12.406 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.499 14.446 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.423 13.073 -7.944 1.00 0.00 H new ATOM 1378 N GLY A 99 8.358 18.281 -2.465 1.00 0.00 N ATOM 1379 CA GLY A 99 6.956 18.636 -2.338 1.00 0.00 C ATOM 1380 C GLY A 99 6.037 17.525 -2.820 1.00 0.00 C ATOM 1381 O GLY A 99 4.858 17.758 -3.082 1.00 0.00 O ATOM 0 H GLY A 99 8.588 17.341 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.733 18.863 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.759 19.542 -2.911 1.00 0.00 H new ATOM 1385 N MET A 100 6.586 16.316 -2.941 1.00 0.00 N ATOM 1386 CA MET A 100 5.826 15.164 -3.398 1.00 0.00 C ATOM 1387 C MET A 100 6.686 13.902 -3.380 1.00 0.00 C ATOM 1388 O MET A 100 7.914 13.978 -3.373 1.00 0.00 O ATOM 1389 CB MET A 100 5.297 15.419 -4.808 1.00 0.00 C ATOM 1390 CG MET A 100 6.353 15.300 -5.896 1.00 0.00 C ATOM 1391 SD MET A 100 5.841 14.223 -7.248 1.00 0.00 S ATOM 1392 CE MET A 100 5.387 12.745 -6.345 1.00 0.00 C ATOM 0 H MET A 100 7.562 16.114 -2.726 1.00 0.00 H new ATOM 0 HA MET A 100 4.986 15.013 -2.720 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.494 14.712 -5.017 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.861 16.417 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.575 16.291 -6.291 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.276 14.916 -5.461 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.270 11.915 -7.041 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.167 12.506 -5.623 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.446 12.914 -5.820 1.00 0.00 H new ATOM 1402 N ILE A 101 6.035 12.741 -3.384 1.00 0.00 N ATOM 1403 CA ILE A 101 6.743 11.463 -3.377 1.00 0.00 C ATOM 1404 C ILE A 101 5.992 10.421 -4.202 1.00 0.00 C ATOM 1405 O ILE A 101 4.764 10.342 -4.152 1.00 0.00 O ATOM 1406 CB ILE A 101 6.980 10.943 -1.930 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.462 9.514 -1.743 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.334 11.870 -0.910 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.673 8.978 -0.343 1.00 0.00 C ATOM 0 H ILE A 101 5.018 12.659 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 101 7.719 11.631 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 101 8.058 10.931 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.398 9.487 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.962 8.858 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.513 11.487 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.765 12.867 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.261 11.921 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.283 7.962 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.738 8.973 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.149 9.612 0.372 1.00 0.00 H new ATOM 1421 N GLN A 102 6.739 9.625 -4.962 1.00 0.00 N ATOM 1422 CA GLN A 102 6.146 8.590 -5.801 1.00 0.00 C ATOM 1423 C GLN A 102 5.972 7.295 -5.017 1.00 0.00 C ATOM 1424 O GLN A 102 6.803 6.950 -4.178 1.00 0.00 O ATOM 1425 CB GLN A 102 7.018 8.342 -7.033 1.00 0.00 C ATOM 1426 CG GLN A 102 6.455 7.288 -7.974 1.00 0.00 C ATOM 1427 CD GLN A 102 7.413 6.135 -8.198 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.886 5.510 -7.249 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.704 5.844 -9.462 1.00 0.00 N ATOM 0 H GLN A 102 7.756 9.678 -5.014 1.00 0.00 H new ATOM 0 HA GLN A 102 5.164 8.934 -6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.137 9.278 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.012 8.034 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.520 6.904 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.219 7.751 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.290 6.388 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.342 5.077 -9.675 1.00 0.00 H new ATOM 1438 N LEU A 103 4.885 6.581 -5.295 1.00 0.00 N ATOM 1439 CA LEU A 103 4.604 5.324 -4.613 1.00 0.00 C ATOM 1440 C LEU A 103 3.925 4.331 -5.549 1.00 0.00 C ATOM 1441 O LEU A 103 2.814 4.569 -6.024 1.00 0.00 O ATOM 1442 CB LEU A 103 3.717 5.574 -3.391 1.00 0.00 C ATOM 1443 CG LEU A 103 4.430 6.192 -2.185 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.558 7.256 -1.535 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.801 5.116 -1.177 1.00 0.00 C ATOM 0 H LEU A 103 4.186 6.852 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 103 5.553 4.897 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.898 6.230 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.273 4.627 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 103 5.347 6.667 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.082 7.683 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.343 8.042 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.624 6.806 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.307 5.573 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.898 4.612 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.465 4.391 -1.647 1.00 0.00 H new ATOM 1457 N ILE A 104 4.595 3.212 -5.806 1.00 0.00 N ATOM 1458 CA ILE A 104 4.053 2.179 -6.679 1.00 0.00 C ATOM 1459 C ILE A 104 3.204 1.197 -5.883 1.00 0.00 C ATOM 1460 O ILE A 104 3.520 0.868 -4.740 1.00 0.00 O ATOM 1461 CB ILE A 104 5.163 1.407 -7.415 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.025 2.369 -8.226 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.563 0.339 -8.321 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.236 3.227 -9.191 1.00 0.00 C ATOM 0 H ILE A 104 5.515 2.998 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 104 3.435 2.684 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 104 5.792 0.914 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.573 3.017 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.766 1.797 -8.785 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.363 -0.196 -8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.983 -0.363 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.913 0.810 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.916 3.885 -9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.709 2.588 -9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.514 3.827 -8.638 1.00 0.00 H new ATOM 1476 N VAL A 105 2.121 0.739 -6.495 1.00 0.00 N ATOM 1477 CA VAL A 105 1.218 -0.200 -5.841 1.00 0.00 C ATOM 1478 C VAL A 105 0.827 -1.346 -6.769 1.00 0.00 C ATOM 1479 O VAL A 105 1.195 -1.363 -7.944 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.062 0.504 -5.354 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.270 1.547 -4.298 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.803 1.136 -6.523 1.00 0.00 C ATOM 0 H VAL A 105 1.846 1.001 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 105 1.759 -0.605 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.714 -0.243 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.647 2.034 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.752 1.064 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.943 2.292 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.705 1.629 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.159 1.870 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.077 0.363 -7.241 1.00 0.00 H new ATOM 1492 N ALA A 106 0.074 -2.297 -6.227 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.380 -3.450 -6.992 1.00 0.00 C ATOM 1494 C ALA A 106 -1.851 -3.736 -6.715 1.00 0.00 C ATOM 1495 O ALA A 106 -2.280 -3.769 -5.560 1.00 0.00 O ATOM 1496 CB ALA A 106 0.470 -4.670 -6.666 1.00 0.00 C ATOM 0 H ALA A 106 -0.236 -2.290 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.271 -3.223 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.119 -5.524 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.511 -4.466 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.390 -4.896 -5.603 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.621 -3.936 -7.778 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.046 -4.215 -7.646 1.00 0.00 C ATOM 1504 C ARG A 107 -4.470 -5.350 -8.574 1.00 0.00 C ATOM 1505 O ARG A 107 -4.281 -5.272 -9.787 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.859 -2.959 -7.953 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.354 -3.135 -7.758 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.115 -1.872 -8.127 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.706 -1.230 -6.954 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.878 -1.581 -6.426 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.583 -2.573 -6.955 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -9.343 -0.940 -5.362 1.00 0.00 N ATOM 0 H ARG A 107 -2.283 -3.910 -8.740 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.237 -4.523 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.512 -2.147 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.669 -2.657 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.707 -3.966 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.559 -3.394 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.441 -1.173 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.901 -2.117 -8.841 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.190 -0.468 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.229 -3.072 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.479 -2.836 -6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.804 -0.179 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.240 -1.208 -4.957 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.041 -6.402 -7.996 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.487 -7.549 -8.777 1.00 0.00 C ATOM 1528 C ARG A 108 -6.672 -7.183 -9.666 1.00 0.00 C ATOM 1529 O ARG A 108 -7.402 -6.232 -9.389 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.852 -8.716 -7.861 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.550 -10.074 -8.474 1.00 0.00 C ATOM 1532 CD ARG A 108 -4.164 -10.567 -8.093 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.030 -10.762 -6.650 1.00 0.00 N ATOM 1534 CZ ARG A 108 -3.089 -11.521 -6.090 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -2.197 -12.151 -6.844 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.040 -11.648 -4.771 1.00 0.00 N ATOM 0 H ARG A 108 -5.205 -6.483 -6.993 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.662 -7.855 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.306 -8.618 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.913 -8.662 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.297 -10.796 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.627 -10.009 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.959 -11.507 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.418 -9.849 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.695 -10.290 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.229 -12.056 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.479 -12.730 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.722 -11.165 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.320 -12.229 -4.341 1.00 0.00 H new ATOM 1550 N ILE A 109 -6.838 -7.940 -10.745 1.00 0.00 N ATOM 1551 CA ILE A 109 -7.913 -7.701 -11.698 1.00 0.00 C ATOM 1552 C ILE A 109 -9.039 -8.731 -11.541 1.00 0.00 C ATOM 1553 O ILE A 109 -9.938 -8.551 -10.719 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.366 -7.724 -13.150 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.415 -6.542 -13.420 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.502 -7.728 -14.159 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.557 -5.380 -12.461 1.00 0.00 C ATOM 0 H ILE A 109 -6.237 -8.729 -10.981 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.327 -6.714 -11.490 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.795 -8.645 -13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.388 -6.904 -13.380 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.586 -6.181 -14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.092 -7.744 -15.169 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.122 -8.611 -14.005 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.108 -6.832 -14.028 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.848 -4.597 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.571 -4.985 -12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.354 -5.720 -11.445 1.00 0.00 H new ATOM 1569 N SER A 110 -8.991 -9.805 -12.329 1.00 0.00 N ATOM 1570 CA SER A 110 -10.014 -10.843 -12.266 1.00 0.00 C ATOM 1571 C SER A 110 -9.565 -12.097 -13.011 1.00 0.00 C ATOM 1572 O SER A 110 -9.370 -13.152 -12.407 1.00 0.00 O ATOM 1573 CB SER A 110 -11.327 -10.328 -12.858 1.00 0.00 C ATOM 1574 OG SER A 110 -11.968 -9.427 -11.970 1.00 0.00 O ATOM 0 H SER A 110 -8.256 -9.977 -13.016 1.00 0.00 H new ATOM 0 HA SER A 110 -10.170 -11.101 -11.219 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.131 -9.830 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.989 -11.168 -13.069 1.00 0.00 H new ATOM 0 HG SER A 110 -11.405 -9.291 -11.179 1.00 0.00 H new TER 1580 SER A 110