USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -159:sc= -0.133 (180deg=-0.285) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -118:sc= 0.237 (180deg=0.00974) USER MOD Set 2.2: A 32 THR OG1 : rot 161:sc= -0.706 USER MOD Set 3.1: A 27 GLN : amide:sc= -0.0844 K(o=-0.17,f=-3.9) USER MOD Set 3.2: A 105 MET CE :methyl 145:sc= -0.0851 (180deg=0) USER MOD Set 4.1: A 16 GLN : amide:sc= -6.85! C(o=-7.3!,f=-11!) USER MOD Set 4.2: A 19 GLN : amide:sc= -0.497 K(o=-7.3,f=-9.7) USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.104 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 170:sc= 0.971 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.688 F(o=-3.6,f=-0.69) USER MOD Single : A 33 SER OG : rot 8:sc= -1.7! USER MOD Single : A 38 MET CE :methyl 159:sc= -0.0124 (180deg=-0.587) USER MOD Single : A 39 SER OG : rot 180:sc= -0.518 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -12.7! C(o=-13!,f=-23!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.35 X(o=-2.4,f=-2.6!) USER MOD Single : A 54 GLN :FLIP amide:sc= -10! C(o=-11!,f=-10!) USER MOD Single : A 55 SER OG : rot -55:sc= 0.362 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 75:sc= 1.18 USER MOD Single : A 68 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.3) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.145) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.000978 F(o=-1.5,f=-0.00098) USER MOD Single : A 72 SER OG : rot -36:sc= 0.966 USER MOD Single : A 78 THR OG1 : rot 174:sc= -0.434 USER MOD Single : A 80 SER OG : rot 130:sc= -1.71! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 146:sc= -1.56! USER MOD Single : A 86 MET CE :methyl 156:sc= -1.85 (180deg=-2.99) USER MOD Single : A 91 ASN :FLIP amide:sc= -2.81! C(o=-5.5!,f=-2.8!) USER MOD Single : A 96 LYS NZ :NH3+ -124:sc= 0.682 (180deg=-0.327) USER MOD Single : A 103 GLN : amide:sc= -4.04! C(o=-4!,f=-11!) USER MOD Single : A 107 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.0064) USER MOD Single : A 108 SER OG : rot -29:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.438 -7.712 -8.040 1.00 0.00 N ATOM 34 CA THR A 3 7.539 -8.626 -8.280 1.00 0.00 C ATOM 35 C THR A 3 8.716 -7.954 -8.985 1.00 0.00 C ATOM 36 O THR A 3 9.752 -8.589 -9.186 1.00 0.00 O ATOM 37 CB THR A 3 7.083 -9.841 -9.106 1.00 0.00 C ATOM 38 OG1 THR A 3 6.487 -9.406 -10.335 1.00 0.00 O ATOM 39 CG2 THR A 3 6.086 -10.674 -8.317 1.00 0.00 C ATOM 0 HA THR A 3 7.875 -8.956 -7.297 1.00 0.00 H new ATOM 0 HB THR A 3 7.956 -10.455 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.999 -8.570 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.773 -11.530 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.553 -11.026 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.216 -10.065 -8.072 1.00 0.00 H new ATOM 47 N ASP A 4 8.580 -6.679 -9.366 1.00 0.00 N ATOM 48 CA ASP A 4 9.677 -5.971 -10.020 1.00 0.00 C ATOM 49 C ASP A 4 10.959 -6.125 -9.206 1.00 0.00 C ATOM 50 O ASP A 4 11.873 -6.843 -9.613 1.00 0.00 O ATOM 51 CB ASP A 4 9.326 -4.491 -10.198 1.00 0.00 C ATOM 52 CG ASP A 4 10.450 -3.698 -10.836 1.00 0.00 C ATOM 53 OD1 ASP A 4 10.968 -4.139 -11.882 1.00 0.00 O ATOM 54 OD2 ASP A 4 10.806 -2.632 -10.291 1.00 0.00 O ATOM 0 H ASP A 4 7.733 -6.126 -9.234 1.00 0.00 H new ATOM 0 HA ASP A 4 9.837 -6.405 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.431 -4.405 -10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.087 -4.059 -9.226 1.00 0.00 H new ATOM 59 N ILE A 5 11.031 -5.455 -8.055 1.00 0.00 N ATOM 60 CA ILE A 5 12.199 -5.585 -7.196 1.00 0.00 C ATOM 61 C ILE A 5 11.767 -6.025 -5.802 1.00 0.00 C ATOM 62 O ILE A 5 11.433 -5.207 -4.946 1.00 0.00 O ATOM 63 CB ILE A 5 12.953 -4.245 -7.092 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.160 -3.650 -8.486 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.287 -4.431 -6.384 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.611 -2.206 -8.469 1.00 0.00 C ATOM 0 H ILE A 5 10.306 -4.829 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 5 12.863 -6.331 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 5 12.352 -3.553 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.900 -4.246 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.227 -3.724 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.803 -3.473 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.115 -4.817 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.900 -5.137 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.737 -1.852 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.861 -1.597 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.560 -2.127 -7.938 1.00 0.00 H new ATOM 78 N LEU A 6 11.795 -7.333 -5.595 1.00 0.00 N ATOM 79 CA LEU A 6 11.418 -7.920 -4.316 1.00 0.00 C ATOM 80 C LEU A 6 11.644 -9.423 -4.293 1.00 0.00 C ATOM 81 O LEU A 6 11.810 -10.053 -5.337 1.00 0.00 O ATOM 82 CB LEU A 6 9.951 -7.618 -4.001 1.00 0.00 C ATOM 83 CG LEU A 6 9.706 -6.359 -3.166 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.765 -5.408 -3.890 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.140 -6.728 -1.803 1.00 0.00 C ATOM 0 H LEU A 6 12.077 -8.013 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 6 12.056 -7.470 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.407 -7.522 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.527 -8.472 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 6 10.661 -5.853 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.604 -4.520 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.205 -5.117 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.811 -5.904 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.971 -5.822 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.196 -7.257 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.847 -7.370 -1.277 1.00 0.00 H new ATOM 97 N SER A 7 11.647 -9.990 -3.097 1.00 0.00 N ATOM 98 CA SER A 7 11.767 -11.431 -2.942 1.00 0.00 C ATOM 99 C SER A 7 10.378 -12.033 -3.123 1.00 0.00 C ATOM 100 O SER A 7 9.448 -11.689 -2.394 1.00 0.00 O ATOM 101 CB SER A 7 12.344 -11.786 -1.573 1.00 0.00 C ATOM 102 OG SER A 7 13.712 -11.425 -1.486 1.00 0.00 O ATOM 0 H SER A 7 11.568 -9.475 -2.220 1.00 0.00 H new ATOM 0 HA SER A 7 12.451 -11.835 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.780 -11.274 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.235 -12.856 -1.395 1.00 0.00 H new ATOM 0 HG SER A 7 14.057 -11.661 -0.600 1.00 0.00 H new ATOM 108 N ALA A 8 10.237 -12.928 -4.088 1.00 0.00 N ATOM 109 CA ALA A 8 8.939 -13.526 -4.388 1.00 0.00 C ATOM 110 C ALA A 8 8.302 -14.195 -3.175 1.00 0.00 C ATOM 111 O ALA A 8 7.147 -13.927 -2.846 1.00 0.00 O ATOM 112 CB ALA A 8 9.071 -14.520 -5.530 1.00 0.00 C ATOM 0 H ALA A 8 11.001 -13.258 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 8 8.276 -12.714 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.097 -14.959 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.441 -14.007 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.770 -15.307 -5.248 1.00 0.00 H new ATOM 118 N GLU A 9 9.052 -15.069 -2.512 1.00 0.00 N ATOM 119 CA GLU A 9 8.530 -15.792 -1.360 1.00 0.00 C ATOM 120 C GLU A 9 8.218 -14.841 -0.220 1.00 0.00 C ATOM 121 O GLU A 9 7.116 -14.847 0.329 1.00 0.00 O ATOM 122 CB GLU A 9 9.542 -16.837 -0.902 1.00 0.00 C ATOM 123 CG GLU A 9 9.812 -17.901 -1.943 1.00 0.00 C ATOM 124 CD GLU A 9 8.598 -18.762 -2.232 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.785 -18.374 -3.097 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.460 -19.826 -1.592 1.00 0.00 O ATOM 0 H GLU A 9 10.018 -15.292 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 9 7.606 -16.288 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.478 -16.340 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.177 -17.313 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.142 -17.424 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.630 -18.536 -1.603 1.00 0.00 H new ATOM 133 N ASP A 10 9.198 -14.021 0.132 1.00 0.00 N ATOM 134 CA ASP A 10 9.013 -13.046 1.189 1.00 0.00 C ATOM 135 C ASP A 10 7.802 -12.187 0.918 1.00 0.00 C ATOM 136 O ASP A 10 7.095 -11.807 1.843 1.00 0.00 O ATOM 137 CB ASP A 10 10.254 -12.177 1.331 1.00 0.00 C ATOM 138 CG ASP A 10 11.487 -12.982 1.692 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.694 -13.246 2.896 1.00 0.00 O ATOM 140 OD2 ASP A 10 12.246 -13.351 0.771 1.00 0.00 O ATOM 0 H ASP A 10 10.123 -14.013 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 10 8.852 -13.582 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.431 -11.646 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.079 -11.422 2.098 1.00 0.00 H new ATOM 145 N ILE A 11 7.554 -11.884 -0.341 1.00 0.00 N ATOM 146 CA ILE A 11 6.399 -11.081 -0.690 1.00 0.00 C ATOM 147 C ILE A 11 5.126 -11.825 -0.274 1.00 0.00 C ATOM 148 O ILE A 11 4.247 -11.264 0.381 1.00 0.00 O ATOM 149 CB ILE A 11 6.416 -10.747 -2.210 1.00 0.00 C ATOM 150 CG1 ILE A 11 7.039 -9.364 -2.425 1.00 0.00 C ATOM 151 CG2 ILE A 11 5.033 -10.814 -2.858 1.00 0.00 C ATOM 152 CD1 ILE A 11 7.090 -8.937 -3.878 1.00 0.00 C ATOM 0 H ILE A 11 8.129 -12.177 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 11 6.426 -10.131 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 11 7.020 -11.511 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.469 -8.627 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.051 -9.364 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.115 -10.571 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.628 -11.820 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.369 -10.099 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.543 -7.949 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.685 -9.652 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.079 -8.903 -4.283 1.00 0.00 H new ATOM 164 N ALA A 12 5.046 -13.091 -0.664 1.00 0.00 N ATOM 165 CA ALA A 12 3.891 -13.912 -0.333 1.00 0.00 C ATOM 166 C ALA A 12 3.686 -13.951 1.162 1.00 0.00 C ATOM 167 O ALA A 12 2.605 -13.659 1.640 1.00 0.00 O ATOM 168 CB ALA A 12 4.060 -15.318 -0.871 1.00 0.00 C ATOM 0 H ALA A 12 5.765 -13.569 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 12 3.012 -13.467 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.185 -15.914 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.167 -15.282 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.950 -15.770 -0.433 1.00 0.00 H new ATOM 174 N ALA A 13 4.733 -14.285 1.901 1.00 0.00 N ATOM 175 CA ALA A 13 4.633 -14.328 3.354 1.00 0.00 C ATOM 176 C ALA A 13 4.332 -12.936 3.870 1.00 0.00 C ATOM 177 O ALA A 13 3.436 -12.727 4.683 1.00 0.00 O ATOM 178 CB ALA A 13 5.916 -14.858 3.969 1.00 0.00 C ATOM 0 H ALA A 13 5.650 -14.527 1.526 1.00 0.00 H new ATOM 0 HA ALA A 13 3.826 -15.004 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.817 -14.881 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.107 -15.866 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.747 -14.208 3.694 1.00 0.00 H new ATOM 184 N ALA A 14 5.113 -11.991 3.373 1.00 0.00 N ATOM 185 CA ALA A 14 4.954 -10.592 3.733 1.00 0.00 C ATOM 186 C ALA A 14 3.493 -10.179 3.610 1.00 0.00 C ATOM 187 O ALA A 14 2.914 -9.620 4.539 1.00 0.00 O ATOM 188 CB ALA A 14 5.816 -9.722 2.832 1.00 0.00 C ATOM 0 H ALA A 14 5.870 -12.170 2.713 1.00 0.00 H new ATOM 0 HA ALA A 14 5.272 -10.458 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.691 -8.675 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.862 -10.005 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.514 -9.862 1.794 1.00 0.00 H new ATOM 194 N LEU A 15 2.904 -10.474 2.462 1.00 0.00 N ATOM 195 CA LEU A 15 1.511 -10.147 2.213 1.00 0.00 C ATOM 196 C LEU A 15 0.595 -11.089 2.990 1.00 0.00 C ATOM 197 O LEU A 15 -0.237 -10.651 3.778 1.00 0.00 O ATOM 198 CB LEU A 15 1.216 -10.235 0.711 1.00 0.00 C ATOM 199 CG LEU A 15 -0.060 -9.524 0.232 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.442 -9.993 -1.165 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.216 -9.743 1.198 1.00 0.00 C ATOM 0 H LEU A 15 3.372 -10.941 1.686 1.00 0.00 H new ATOM 0 HA LEU A 15 1.322 -9.128 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.065 -9.819 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.147 -11.287 0.436 1.00 0.00 H new ATOM 0 HG LEU A 15 0.151 -8.455 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.348 -9.479 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.369 -9.769 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.621 -11.068 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.102 -9.227 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.425 -10.810 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.950 -9.350 2.179 1.00 0.00 H new ATOM 213 N GLN A 16 0.781 -12.387 2.772 1.00 0.00 N ATOM 214 CA GLN A 16 -0.026 -13.442 3.384 1.00 0.00 C ATOM 215 C GLN A 16 0.164 -13.576 4.895 1.00 0.00 C ATOM 216 O GLN A 16 -0.509 -14.392 5.525 1.00 0.00 O ATOM 217 CB GLN A 16 0.358 -14.784 2.760 1.00 0.00 C ATOM 218 CG GLN A 16 -0.039 -14.965 1.301 1.00 0.00 C ATOM 219 CD GLN A 16 -0.162 -13.677 0.513 1.00 0.00 C ATOM 220 OE1 GLN A 16 0.771 -13.274 -0.179 1.00 0.00 O ATOM 221 NE2 GLN A 16 -1.319 -13.033 0.610 1.00 0.00 N ATOM 0 H GLN A 16 1.510 -12.744 2.154 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.065 -13.169 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.438 -14.908 2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.100 -15.581 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.699 -15.603 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.992 -15.492 1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.064 -13.408 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.463 -12.163 0.097 1.00 0.00 H new ATOM 230 N GLU A 17 1.061 -12.800 5.491 1.00 0.00 N ATOM 231 CA GLU A 17 1.344 -12.977 6.911 1.00 0.00 C ATOM 232 C GLU A 17 0.144 -12.701 7.798 1.00 0.00 C ATOM 233 O GLU A 17 -0.483 -13.623 8.321 1.00 0.00 O ATOM 234 CB GLU A 17 2.477 -12.047 7.328 1.00 0.00 C ATOM 235 CG GLU A 17 2.766 -12.034 8.821 1.00 0.00 C ATOM 236 CD GLU A 17 3.987 -11.206 9.168 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.841 -9.979 9.353 1.00 0.00 O ATOM 238 OE2 GLU A 17 5.092 -11.783 9.255 1.00 0.00 O ATOM 0 H GLU A 17 1.592 -12.062 5.030 1.00 0.00 H new ATOM 0 HA GLU A 17 1.620 -14.023 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.384 -12.339 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.234 -11.033 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.900 -11.639 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.914 -13.057 9.168 1.00 0.00 H new ATOM 245 N CYS A 18 -0.169 -11.432 7.964 1.00 0.00 N ATOM 246 CA CYS A 18 -1.262 -10.985 8.803 1.00 0.00 C ATOM 247 C CYS A 18 -2.456 -10.487 7.992 1.00 0.00 C ATOM 248 O CYS A 18 -3.429 -9.991 8.559 1.00 0.00 O ATOM 249 CB CYS A 18 -0.729 -9.878 9.696 1.00 0.00 C ATOM 250 SG CYS A 18 -0.906 -10.201 11.465 1.00 0.00 S ATOM 0 H CYS A 18 0.337 -10.670 7.512 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.627 -11.827 9.392 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.326 -9.721 9.471 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.248 -8.950 9.454 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.421 -9.201 12.139 1.00 0.00 H new ATOM 256 N GLN A 19 -2.384 -10.617 6.672 1.00 0.00 N ATOM 257 CA GLN A 19 -3.422 -10.070 5.805 1.00 0.00 C ATOM 258 C GLN A 19 -4.826 -10.378 6.317 1.00 0.00 C ATOM 259 O GLN A 19 -5.106 -11.451 6.851 1.00 0.00 O ATOM 260 CB GLN A 19 -3.261 -10.623 4.394 1.00 0.00 C ATOM 261 CG GLN A 19 -4.374 -10.222 3.441 1.00 0.00 C ATOM 262 CD GLN A 19 -4.176 -10.783 2.046 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.681 -11.899 1.878 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.541 -10.001 1.035 1.00 0.00 N ATOM 0 H GLN A 19 -1.626 -11.092 6.182 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.303 -8.986 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.309 -10.282 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.215 -11.711 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.329 -10.569 3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.428 -9.135 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.947 -9.084 1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.415 -10.318 0.074 1.00 0.00 H new ATOM 273 N ASP A 20 -5.690 -9.392 6.126 1.00 0.00 N ATOM 274 CA ASP A 20 -7.080 -9.449 6.555 1.00 0.00 C ATOM 275 C ASP A 20 -7.737 -8.092 6.318 1.00 0.00 C ATOM 276 O ASP A 20 -7.069 -7.141 5.913 1.00 0.00 O ATOM 277 CB ASP A 20 -7.166 -9.826 8.035 1.00 0.00 C ATOM 278 CG ASP A 20 -7.682 -11.236 8.246 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.847 -11.502 7.884 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.919 -12.075 8.770 1.00 0.00 O ATOM 0 H ASP A 20 -5.442 -8.518 5.662 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.603 -10.211 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.179 -9.732 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.821 -9.122 8.548 1.00 0.00 H new ATOM 285 N PRO A 21 -9.047 -7.974 6.568 1.00 0.00 N ATOM 286 CA PRO A 21 -9.770 -6.720 6.390 1.00 0.00 C ATOM 287 C PRO A 21 -9.632 -5.786 7.587 1.00 0.00 C ATOM 288 O PRO A 21 -10.615 -5.200 8.033 1.00 0.00 O ATOM 289 CB PRO A 21 -11.207 -7.192 6.249 1.00 0.00 C ATOM 290 CG PRO A 21 -11.285 -8.397 7.110 1.00 0.00 C ATOM 291 CD PRO A 21 -9.942 -9.057 7.014 1.00 0.00 C ATOM 0 HA PRO A 21 -9.397 -6.141 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.911 -6.425 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.448 -7.428 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.515 -8.127 8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.075 -9.068 6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.628 -9.465 7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.953 -9.884 6.304 1.00 0.00 H new ATOM 299 N ASP A 22 -8.399 -5.631 8.072 1.00 0.00 N ATOM 300 CA ASP A 22 -8.128 -4.775 9.239 1.00 0.00 C ATOM 301 C ASP A 22 -6.682 -4.879 9.767 1.00 0.00 C ATOM 302 O ASP A 22 -6.370 -4.285 10.798 1.00 0.00 O ATOM 303 CB ASP A 22 -9.072 -5.145 10.386 1.00 0.00 C ATOM 304 CG ASP A 22 -8.875 -6.573 10.855 1.00 0.00 C ATOM 305 OD1 ASP A 22 -9.495 -7.482 10.266 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.100 -6.781 11.813 1.00 0.00 O ATOM 0 H ASP A 22 -7.573 -6.083 7.680 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.285 -3.752 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.909 -4.465 11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.104 -5.010 10.062 1.00 0.00 H new ATOM 311 N THR A 23 -5.800 -5.616 9.089 1.00 0.00 N ATOM 312 CA THR A 23 -4.431 -5.778 9.564 1.00 0.00 C ATOM 313 C THR A 23 -3.426 -4.882 8.859 1.00 0.00 C ATOM 314 O THR A 23 -2.699 -4.141 9.516 1.00 0.00 O ATOM 315 CB THR A 23 -3.956 -7.221 9.360 1.00 0.00 C ATOM 316 OG1 THR A 23 -4.277 -7.654 8.032 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.585 -8.162 10.370 1.00 0.00 C ATOM 0 H THR A 23 -6.009 -6.104 8.218 1.00 0.00 H new ATOM 0 HA THR A 23 -4.468 -5.503 10.618 1.00 0.00 H new ATOM 0 HB THR A 23 -2.876 -7.243 9.505 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.830 -8.507 7.849 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.226 -9.176 10.195 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.313 -7.849 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.670 -8.138 10.263 1.00 0.00 H new ATOM 325 N PHE A 24 -3.450 -4.949 7.521 1.00 0.00 N ATOM 326 CA PHE A 24 -2.512 -4.231 6.623 1.00 0.00 C ATOM 327 C PHE A 24 -1.692 -5.192 5.779 1.00 0.00 C ATOM 328 O PHE A 24 -0.617 -5.640 6.164 1.00 0.00 O ATOM 329 CB PHE A 24 -1.600 -3.223 7.340 1.00 0.00 C ATOM 330 CG PHE A 24 -0.351 -3.740 8.011 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.305 -4.913 8.758 1.00 0.00 C ATOM 332 CD2 PHE A 24 0.790 -2.976 7.913 1.00 0.00 C ATOM 333 CE1 PHE A 24 0.865 -5.304 9.386 1.00 0.00 C ATOM 334 CE2 PHE A 24 1.962 -3.355 8.546 1.00 0.00 C ATOM 335 CZ PHE A 24 1.999 -4.521 9.285 1.00 0.00 C ATOM 0 H PHE A 24 -4.133 -5.513 7.015 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.151 -3.643 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.299 -2.470 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.197 -2.714 8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.191 -5.524 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.771 -2.065 7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.891 -6.221 9.955 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.846 -2.740 8.462 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.910 -4.820 9.782 1.00 0.00 H new ATOM 345 N GLU A 25 -2.238 -5.486 4.614 1.00 0.00 N ATOM 346 CA GLU A 25 -1.618 -6.405 3.660 1.00 0.00 C ATOM 347 C GLU A 25 -0.578 -5.743 2.744 1.00 0.00 C ATOM 348 O GLU A 25 0.460 -6.344 2.468 1.00 0.00 O ATOM 349 CB GLU A 25 -2.655 -7.153 2.802 1.00 0.00 C ATOM 350 CG GLU A 25 -4.030 -6.542 2.793 1.00 0.00 C ATOM 351 CD GLU A 25 -4.858 -6.879 4.017 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.509 -6.416 5.123 1.00 0.00 O ATOM 353 OE2 GLU A 25 -5.864 -7.605 3.868 1.00 0.00 O ATOM 0 H GLU A 25 -3.126 -5.097 4.296 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.092 -7.124 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.289 -7.202 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.732 -8.179 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.935 -5.459 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.561 -6.879 1.903 1.00 0.00 H new ATOM 360 N PRO A 26 -0.817 -4.506 2.252 1.00 0.00 N ATOM 361 CA PRO A 26 0.117 -3.856 1.333 1.00 0.00 C ATOM 362 C PRO A 26 1.452 -3.492 1.971 1.00 0.00 C ATOM 363 O PRO A 26 2.502 -3.968 1.544 1.00 0.00 O ATOM 364 CB PRO A 26 -0.613 -2.593 0.876 1.00 0.00 C ATOM 365 CG PRO A 26 -1.666 -2.338 1.887 1.00 0.00 C ATOM 366 CD PRO A 26 -1.978 -3.648 2.558 1.00 0.00 C ATOM 0 HA PRO A 26 0.378 -4.532 0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.074 -1.749 0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.048 -2.731 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.326 -1.605 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.559 -1.927 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.106 -3.523 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.903 -4.080 2.175 1.00 0.00 H new ATOM 374 N GLN A 27 1.416 -2.648 2.988 1.00 0.00 N ATOM 375 CA GLN A 27 2.621 -2.218 3.651 1.00 0.00 C ATOM 376 C GLN A 27 3.422 -3.420 4.173 1.00 0.00 C ATOM 377 O GLN A 27 4.645 -3.351 4.293 1.00 0.00 O ATOM 378 CB GLN A 27 2.234 -1.227 4.754 1.00 0.00 C ATOM 379 CG GLN A 27 3.102 -1.269 5.987 1.00 0.00 C ATOM 380 CD GLN A 27 3.227 0.085 6.650 1.00 0.00 C ATOM 381 OE1 GLN A 27 4.166 0.836 6.381 1.00 0.00 O ATOM 382 NE2 GLN A 27 2.271 0.412 7.509 1.00 0.00 N ATOM 0 H GLN A 27 0.558 -2.249 3.369 1.00 0.00 H new ATOM 0 HA GLN A 27 3.284 -1.710 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.265 -0.218 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.202 -1.420 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.684 -1.982 6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.094 -1.632 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.512 -0.242 7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.294 1.318 7.978 1.00 0.00 H new ATOM 391 N LYS A 28 2.729 -4.514 4.477 1.00 0.00 N ATOM 392 CA LYS A 28 3.380 -5.714 4.951 1.00 0.00 C ATOM 393 C LYS A 28 4.133 -6.356 3.804 1.00 0.00 C ATOM 394 O LYS A 28 5.289 -6.756 3.934 1.00 0.00 O ATOM 395 CB LYS A 28 2.342 -6.681 5.487 1.00 0.00 C ATOM 396 CG LYS A 28 1.958 -6.433 6.925 1.00 0.00 C ATOM 397 CD LYS A 28 2.890 -7.143 7.899 1.00 0.00 C ATOM 398 CE LYS A 28 4.292 -6.562 7.871 1.00 0.00 C ATOM 399 NZ LYS A 28 5.138 -7.100 8.971 1.00 0.00 N ATOM 0 H LYS A 28 1.714 -4.586 4.401 1.00 0.00 H new ATOM 0 HA LYS A 28 4.077 -5.462 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.448 -6.619 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.725 -7.697 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.974 -5.361 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.935 -6.772 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.486 -7.066 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.932 -8.204 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.759 -6.786 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.237 -5.477 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.431 -6.322 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.594 -7.798 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.981 -7.557 8.569 1.00 0.00 H new ATOM 413 N PHE A 29 3.445 -6.429 2.675 1.00 0.00 N ATOM 414 CA PHE A 29 3.988 -6.990 1.451 1.00 0.00 C ATOM 415 C PHE A 29 5.326 -6.340 1.146 1.00 0.00 C ATOM 416 O PHE A 29 6.328 -7.010 0.897 1.00 0.00 O ATOM 417 CB PHE A 29 2.983 -6.705 0.325 1.00 0.00 C ATOM 418 CG PHE A 29 3.339 -7.231 -1.037 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.473 -6.796 -1.705 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.505 -8.139 -1.663 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.764 -7.264 -2.972 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.792 -8.613 -2.925 1.00 0.00 C ATOM 423 CZ PHE A 29 3.921 -8.175 -3.581 1.00 0.00 C ATOM 0 H PHE A 29 2.485 -6.097 2.584 1.00 0.00 H new ATOM 0 HA PHE A 29 4.146 -8.064 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.019 -7.126 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.850 -5.626 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.134 -6.086 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.615 -8.482 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.649 -6.919 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.133 -9.326 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.148 -8.543 -4.571 1.00 0.00 H new ATOM 433 N PHE A 30 5.312 -5.019 1.172 1.00 0.00 N ATOM 434 CA PHE A 30 6.487 -4.220 0.888 1.00 0.00 C ATOM 435 C PHE A 30 7.548 -4.329 1.983 1.00 0.00 C ATOM 436 O PHE A 30 8.658 -4.787 1.742 1.00 0.00 O ATOM 437 CB PHE A 30 6.086 -2.753 0.747 1.00 0.00 C ATOM 438 CG PHE A 30 4.738 -2.535 0.124 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.280 -3.363 -0.885 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.927 -1.498 0.556 1.00 0.00 C ATOM 441 CE1 PHE A 30 3.038 -3.160 -1.452 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.685 -1.290 -0.008 1.00 0.00 C ATOM 443 CZ PHE A 30 2.239 -2.121 -1.013 1.00 0.00 C ATOM 0 H PHE A 30 4.481 -4.470 1.392 1.00 0.00 H new ATOM 0 HA PHE A 30 6.916 -4.602 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.096 -2.290 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.837 -2.240 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.900 -4.176 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.271 -0.844 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.690 -3.813 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.063 -0.477 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.267 -1.961 -1.457 1.00 0.00 H new ATOM 453 N GLN A 31 7.162 -3.957 3.199 1.00 0.00 N ATOM 454 CA GLN A 31 8.083 -3.910 4.336 1.00 0.00 C ATOM 455 C GLN A 31 8.782 -5.226 4.627 1.00 0.00 C ATOM 456 O GLN A 31 10.000 -5.334 4.481 1.00 0.00 O ATOM 457 CB GLN A 31 7.326 -3.460 5.587 1.00 0.00 C ATOM 458 CG GLN A 31 8.231 -2.953 6.699 1.00 0.00 C ATOM 459 CD GLN A 31 8.475 -1.454 6.629 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.430 -0.890 5.425 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.698 -0.808 7.653 1.00 0.00 N flip ATOM 0 H GLN A 31 6.207 -3.680 3.427 1.00 0.00 H new ATOM 0 HA GLN A 31 8.863 -3.199 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.625 -2.672 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.735 -4.295 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.785 -3.198 7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.187 -3.474 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.724 -1.279 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.857 0.198 7.597 1.00 0.00 H new ATOM 470 N THR A 32 8.022 -6.215 5.033 1.00 0.00 N ATOM 471 CA THR A 32 8.597 -7.507 5.385 1.00 0.00 C ATOM 472 C THR A 32 9.574 -8.007 4.323 1.00 0.00 C ATOM 473 O THR A 32 10.727 -8.315 4.624 1.00 0.00 O ATOM 474 CB THR A 32 7.504 -8.566 5.607 1.00 0.00 C ATOM 475 OG1 THR A 32 6.552 -8.098 6.569 1.00 0.00 O ATOM 476 CG2 THR A 32 8.111 -9.876 6.087 1.00 0.00 C ATOM 0 H THR A 32 7.008 -6.158 5.130 1.00 0.00 H new ATOM 0 HA THR A 32 9.144 -7.355 6.316 1.00 0.00 H new ATOM 0 HB THR A 32 7.002 -8.740 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.722 -8.613 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.320 -10.610 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.813 -10.247 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.636 -9.711 7.028 1.00 0.00 H new ATOM 484 N SER A 33 9.107 -8.087 3.084 1.00 0.00 N ATOM 485 CA SER A 33 9.929 -8.581 1.986 1.00 0.00 C ATOM 486 C SER A 33 10.893 -7.541 1.411 1.00 0.00 C ATOM 487 O SER A 33 12.111 -7.716 1.463 1.00 0.00 O ATOM 488 CB SER A 33 9.042 -9.144 0.875 1.00 0.00 C ATOM 489 OG SER A 33 9.822 -9.662 -0.188 1.00 0.00 O ATOM 0 H SER A 33 8.162 -7.816 2.813 1.00 0.00 H new ATOM 0 HA SER A 33 10.552 -9.369 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.404 -9.930 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.384 -8.361 0.499 1.00 0.00 H new ATOM 0 HG SER A 33 10.767 -9.663 0.070 1.00 0.00 H new ATOM 495 N GLY A 34 10.341 -6.459 0.867 1.00 0.00 N ATOM 496 CA GLY A 34 11.184 -5.480 0.196 1.00 0.00 C ATOM 497 C GLY A 34 11.583 -4.221 0.963 1.00 0.00 C ATOM 498 O GLY A 34 12.746 -4.061 1.332 1.00 0.00 O ATOM 0 H GLY A 34 9.344 -6.243 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.099 -5.985 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.671 -5.167 -0.713 1.00 0.00 H new ATOM 502 N LEU A 35 10.611 -3.363 1.258 1.00 0.00 N ATOM 503 CA LEU A 35 10.866 -2.066 1.883 1.00 0.00 C ATOM 504 C LEU A 35 11.947 -2.119 2.959 1.00 0.00 C ATOM 505 O LEU A 35 12.797 -1.231 3.026 1.00 0.00 O ATOM 506 CB LEU A 35 9.566 -1.522 2.469 1.00 0.00 C ATOM 507 CG LEU A 35 9.029 -0.267 1.786 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.951 -0.470 0.279 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.666 0.102 2.349 1.00 0.00 C ATOM 0 H LEU A 35 9.625 -3.545 1.071 1.00 0.00 H new ATOM 0 HA LEU A 35 11.240 -1.401 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.806 -2.301 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.724 -1.304 3.525 1.00 0.00 H new ATOM 0 HG LEU A 35 9.717 0.555 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.566 0.435 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.946 -0.686 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.285 -1.304 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.297 0.999 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.969 -0.719 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.753 0.291 3.419 1.00 0.00 H new ATOM 521 N SER A 36 11.899 -3.144 3.802 1.00 0.00 N ATOM 522 CA SER A 36 12.879 -3.317 4.880 1.00 0.00 C ATOM 523 C SER A 36 14.289 -2.846 4.490 1.00 0.00 C ATOM 524 O SER A 36 15.050 -2.393 5.344 1.00 0.00 O ATOM 525 CB SER A 36 12.929 -4.785 5.307 1.00 0.00 C ATOM 526 OG SER A 36 13.339 -5.614 4.233 1.00 0.00 O ATOM 0 H SER A 36 11.189 -3.875 3.763 1.00 0.00 H new ATOM 0 HA SER A 36 12.549 -2.691 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.618 -4.901 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.946 -5.099 5.658 1.00 0.00 H new ATOM 0 HG SER A 36 13.364 -6.547 4.531 1.00 0.00 H new ATOM 532 N LYS A 37 14.637 -2.953 3.206 1.00 0.00 N ATOM 533 CA LYS A 37 15.963 -2.529 2.749 1.00 0.00 C ATOM 534 C LYS A 37 15.945 -1.802 1.394 1.00 0.00 C ATOM 535 O LYS A 37 16.831 -0.995 1.112 1.00 0.00 O ATOM 536 CB LYS A 37 16.889 -3.732 2.664 1.00 0.00 C ATOM 537 CG LYS A 37 16.383 -4.817 1.748 1.00 0.00 C ATOM 538 CD LYS A 37 17.404 -5.926 1.621 1.00 0.00 C ATOM 539 CE LYS A 37 17.067 -7.107 2.516 1.00 0.00 C ATOM 540 NZ LYS A 37 17.053 -6.729 3.954 1.00 0.00 N ATOM 0 H LYS A 37 14.031 -3.323 2.474 1.00 0.00 H new ATOM 0 HA LYS A 37 16.326 -1.812 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.869 -3.403 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.027 -4.146 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.447 -5.220 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.168 -4.399 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.453 -6.258 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.391 -5.543 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.092 -7.507 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.796 -7.902 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.176 -7.581 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.829 -6.063 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.145 -6.278 4.186 1.00 0.00 H new ATOM 554 N MET A 38 14.945 -2.081 0.563 1.00 0.00 N ATOM 555 CA MET A 38 14.845 -1.471 -0.761 1.00 0.00 C ATOM 556 C MET A 38 15.080 0.039 -0.757 1.00 0.00 C ATOM 557 O MET A 38 14.725 0.741 0.189 1.00 0.00 O ATOM 558 CB MET A 38 13.477 -1.761 -1.357 1.00 0.00 C ATOM 559 CG MET A 38 13.222 -3.235 -1.577 1.00 0.00 C ATOM 560 SD MET A 38 14.335 -3.964 -2.792 1.00 0.00 S ATOM 561 CE MET A 38 14.144 -5.704 -2.415 1.00 0.00 C ATOM 0 H MET A 38 14.189 -2.729 0.784 1.00 0.00 H new ATOM 0 HA MET A 38 15.637 -1.915 -1.365 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.708 -1.361 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.384 -1.237 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.330 -3.763 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.192 -3.376 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.450 -6.299 -3.276 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.766 -5.961 -1.557 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.100 -5.913 -2.182 1.00 0.00 H new ATOM 571 N SER A 39 15.687 0.515 -1.844 1.00 0.00 N ATOM 572 CA SER A 39 15.971 1.936 -2.025 1.00 0.00 C ATOM 573 C SER A 39 14.697 2.723 -2.304 1.00 0.00 C ATOM 574 O SER A 39 13.655 2.146 -2.598 1.00 0.00 O ATOM 575 CB SER A 39 16.958 2.147 -3.170 1.00 0.00 C ATOM 576 OG SER A 39 16.917 3.483 -3.639 1.00 0.00 O ATOM 0 H SER A 39 15.994 -0.072 -2.620 1.00 0.00 H new ATOM 0 HA SER A 39 16.411 2.301 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.967 1.907 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.724 1.464 -3.987 1.00 0.00 H new ATOM 0 HG SER A 39 17.559 3.593 -4.371 1.00 0.00 H new ATOM 582 N ALA A 40 14.799 4.044 -2.214 1.00 0.00 N ATOM 583 CA ALA A 40 13.655 4.928 -2.449 1.00 0.00 C ATOM 584 C ALA A 40 13.082 4.779 -3.863 1.00 0.00 C ATOM 585 O ALA A 40 11.866 4.734 -4.048 1.00 0.00 O ATOM 586 CB ALA A 40 14.034 6.379 -2.189 1.00 0.00 C ATOM 0 H ALA A 40 15.664 4.531 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 40 12.876 4.628 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.170 7.019 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.358 6.491 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.845 6.668 -2.857 1.00 0.00 H new ATOM 592 N SER A 41 13.965 4.706 -4.856 1.00 0.00 N ATOM 593 CA SER A 41 13.552 4.605 -6.257 1.00 0.00 C ATOM 594 C SER A 41 12.587 3.451 -6.507 1.00 0.00 C ATOM 595 O SER A 41 11.459 3.664 -6.953 1.00 0.00 O ATOM 596 CB SER A 41 14.781 4.442 -7.152 1.00 0.00 C ATOM 597 OG SER A 41 15.581 5.611 -7.141 1.00 0.00 O ATOM 0 H SER A 41 14.975 4.715 -4.717 1.00 0.00 H new ATOM 0 HA SER A 41 13.025 5.528 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.371 3.591 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.465 4.224 -8.172 1.00 0.00 H new ATOM 0 HG SER A 41 16.361 5.479 -7.720 1.00 0.00 H new ATOM 603 N GLN A 42 13.027 2.234 -6.220 1.00 0.00 N ATOM 604 CA GLN A 42 12.188 1.059 -6.442 1.00 0.00 C ATOM 605 C GLN A 42 10.835 1.215 -5.753 1.00 0.00 C ATOM 606 O GLN A 42 9.839 0.632 -6.177 1.00 0.00 O ATOM 607 CB GLN A 42 12.892 -0.210 -5.968 1.00 0.00 C ATOM 608 CG GLN A 42 12.928 -0.348 -4.467 1.00 0.00 C ATOM 609 CD GLN A 42 11.661 -0.968 -3.907 1.00 0.00 C ATOM 610 OE1 GLN A 42 10.725 -0.266 -3.533 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.626 -2.293 -3.846 1.00 0.00 N ATOM 0 H GLN A 42 13.950 2.032 -5.837 1.00 0.00 H new ATOM 0 HA GLN A 42 12.013 0.971 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.387 -1.077 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.913 -0.215 -6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.784 -0.960 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.076 0.635 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.425 -2.840 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.800 -2.765 -3.478 1.00 0.00 H new ATOM 620 N VAL A 43 10.807 2.032 -4.706 1.00 0.00 N ATOM 621 CA VAL A 43 9.570 2.255 -3.966 1.00 0.00 C ATOM 622 C VAL A 43 8.487 2.745 -4.905 1.00 0.00 C ATOM 623 O VAL A 43 7.349 2.283 -4.845 1.00 0.00 O ATOM 624 CB VAL A 43 9.733 3.270 -2.829 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.465 3.334 -1.996 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.927 2.916 -1.967 1.00 0.00 C ATOM 0 H VAL A 43 11.615 2.545 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 43 9.295 1.298 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 43 9.909 4.254 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.594 4.059 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.630 3.637 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.260 2.352 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.027 3.648 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.784 1.924 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.830 2.921 -2.577 1.00 0.00 H new ATOM 636 N LYS A 44 8.839 3.682 -5.781 1.00 0.00 N ATOM 637 CA LYS A 44 7.886 4.188 -6.763 1.00 0.00 C ATOM 638 C LYS A 44 7.197 3.021 -7.454 1.00 0.00 C ATOM 639 O LYS A 44 6.008 3.077 -7.753 1.00 0.00 O ATOM 640 CB LYS A 44 8.594 5.054 -7.804 1.00 0.00 C ATOM 641 CG LYS A 44 8.775 6.498 -7.387 1.00 0.00 C ATOM 642 CD LYS A 44 10.111 7.062 -7.847 1.00 0.00 C ATOM 643 CE LYS A 44 10.361 6.765 -9.313 1.00 0.00 C ATOM 644 NZ LYS A 44 9.411 7.491 -10.202 1.00 0.00 N ATOM 0 H LYS A 44 9.767 4.102 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 44 7.145 4.799 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.573 4.623 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.025 5.024 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.966 7.099 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.704 6.573 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.128 8.140 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.914 6.636 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.383 7.044 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.271 5.693 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.618 7.259 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.437 7.206 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.514 8.516 -10.057 1.00 0.00 H new ATOM 658 N ASP A 45 7.971 1.967 -7.700 1.00 0.00 N ATOM 659 CA ASP A 45 7.460 0.755 -8.323 1.00 0.00 C ATOM 660 C ASP A 45 6.591 -0.003 -7.327 1.00 0.00 C ATOM 661 O ASP A 45 5.516 -0.495 -7.667 1.00 0.00 O ATOM 662 CB ASP A 45 8.617 -0.126 -8.789 1.00 0.00 C ATOM 663 CG ASP A 45 8.668 -0.268 -10.298 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.007 -1.185 -10.830 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.367 0.537 -10.946 1.00 0.00 O ATOM 0 H ASP A 45 8.965 1.931 -7.473 1.00 0.00 H new ATOM 0 HA ASP A 45 6.858 1.025 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.557 0.297 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.522 -1.114 -8.337 1.00 0.00 H new ATOM 670 N ILE A 46 7.076 -0.091 -6.090 1.00 0.00 N ATOM 671 CA ILE A 46 6.356 -0.755 -5.020 1.00 0.00 C ATOM 672 C ILE A 46 5.018 -0.063 -4.793 1.00 0.00 C ATOM 673 O ILE A 46 3.957 -0.673 -4.924 1.00 0.00 O ATOM 674 CB ILE A 46 7.225 -0.765 -3.738 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.200 -1.938 -3.788 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.395 -0.824 -2.460 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.936 -2.084 -5.102 1.00 0.00 C ATOM 0 H ILE A 46 7.976 0.296 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 46 6.151 -1.790 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 46 7.773 0.177 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.931 -1.822 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.652 -2.859 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.058 -0.829 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.741 0.046 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.792 -1.732 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.607 -2.941 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.217 -2.234 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.515 -1.181 -5.297 1.00 0.00 H new ATOM 689 N PHE A 47 5.083 1.216 -4.454 1.00 0.00 N ATOM 690 CA PHE A 47 3.894 2.020 -4.214 1.00 0.00 C ATOM 691 C PHE A 47 2.798 1.763 -5.239 1.00 0.00 C ATOM 692 O PHE A 47 1.613 1.905 -4.941 1.00 0.00 O ATOM 693 CB PHE A 47 4.278 3.488 -4.256 1.00 0.00 C ATOM 694 CG PHE A 47 3.237 4.383 -3.684 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.822 4.206 -2.386 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.678 5.397 -4.437 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.868 5.023 -1.836 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.718 6.224 -3.893 1.00 0.00 C ATOM 699 CZ PHE A 47 1.313 6.036 -2.587 1.00 0.00 C ATOM 0 H PHE A 47 5.959 1.725 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 47 3.499 1.743 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.210 3.629 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.469 3.777 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.253 3.414 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.995 5.543 -5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.552 4.872 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.285 7.016 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.563 6.682 -2.155 1.00 0.00 H new ATOM 709 N ARG A 48 3.197 1.388 -6.441 1.00 0.00 N ATOM 710 CA ARG A 48 2.237 1.138 -7.504 1.00 0.00 C ATOM 711 C ARG A 48 1.157 0.159 -7.062 1.00 0.00 C ATOM 712 O ARG A 48 0.032 0.213 -7.558 1.00 0.00 O ATOM 713 CB ARG A 48 2.933 0.639 -8.764 1.00 0.00 C ATOM 714 CG ARG A 48 3.983 1.605 -9.280 1.00 0.00 C ATOM 715 CD ARG A 48 3.485 3.050 -9.285 1.00 0.00 C ATOM 716 NE ARG A 48 4.498 3.972 -9.791 1.00 0.00 N ATOM 717 CZ ARG A 48 4.269 5.257 -10.035 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.067 5.771 -9.818 1.00 0.00 N ATOM 719 NH2 ARG A 48 5.243 6.030 -10.497 1.00 0.00 N ATOM 0 H ARG A 48 4.172 1.250 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 48 1.752 2.087 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.402 -0.323 -8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.188 0.470 -9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.877 1.533 -8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.272 1.319 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.588 3.123 -9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.202 3.340 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 48 5.435 3.608 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.316 5.179 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.893 6.758 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.169 5.637 -10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.066 7.017 -10.684 1.00 0.00 H new ATOM 733 N PHE A 49 1.485 -0.742 -6.129 1.00 0.00 N ATOM 734 CA PHE A 49 0.492 -1.691 -5.639 1.00 0.00 C ATOM 735 C PHE A 49 -0.752 -0.926 -5.186 1.00 0.00 C ATOM 736 O PHE A 49 -1.839 -1.128 -5.726 1.00 0.00 O ATOM 737 CB PHE A 49 1.062 -2.546 -4.505 1.00 0.00 C ATOM 738 CG PHE A 49 0.112 -3.611 -4.029 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.118 -4.737 -4.803 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.552 -3.491 -2.816 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.987 -5.723 -4.379 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.424 -4.475 -2.388 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.641 -5.592 -3.169 1.00 0.00 C ATOM 0 H PHE A 49 2.410 -0.830 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 49 0.217 -2.372 -6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.985 -3.017 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.322 -1.899 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.389 -4.845 -5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.386 -2.620 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.155 -6.596 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.935 -4.369 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.321 -6.362 -2.835 1.00 0.00 H new ATOM 753 N ILE A 50 -0.591 -0.048 -4.194 1.00 0.00 N ATOM 754 CA ILE A 50 -1.700 0.777 -3.740 1.00 0.00 C ATOM 755 C ILE A 50 -1.857 1.980 -4.652 1.00 0.00 C ATOM 756 O ILE A 50 -0.885 2.682 -4.907 1.00 0.00 O ATOM 757 CB ILE A 50 -1.531 1.294 -2.301 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.123 1.852 -2.069 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.856 0.206 -1.300 1.00 0.00 C ATOM 760 CD1 ILE A 50 0.031 2.543 -0.726 1.00 0.00 C ATOM 0 H ILE A 50 0.287 0.106 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.580 0.134 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.236 2.113 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.599 1.039 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.117 2.558 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.730 0.593 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.887 -0.119 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.185 -0.640 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.050 2.916 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.668 3.377 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.178 1.833 0.074 1.00 0.00 H new ATOM 772 N ASP A 51 -3.088 2.176 -5.129 1.00 0.00 N ATOM 773 CA ASP A 51 -3.484 3.277 -6.030 1.00 0.00 C ATOM 774 C ASP A 51 -2.297 4.022 -6.668 1.00 0.00 C ATOM 775 O ASP A 51 -1.472 4.625 -5.988 1.00 0.00 O ATOM 776 CB ASP A 51 -4.418 4.243 -5.292 1.00 0.00 C ATOM 777 CG ASP A 51 -5.732 3.588 -4.911 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.630 3.512 -5.777 1.00 0.00 O ATOM 779 OD2 ASP A 51 -5.864 3.152 -3.748 1.00 0.00 O ATOM 0 H ASP A 51 -3.865 1.558 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.015 2.822 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.922 4.610 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.615 5.109 -5.923 1.00 0.00 H new ATOM 784 N ASN A 52 -2.286 4.046 -7.995 1.00 0.00 N ATOM 785 CA ASN A 52 -1.192 4.668 -8.742 1.00 0.00 C ATOM 786 C ASN A 52 -1.455 6.149 -8.963 1.00 0.00 C ATOM 787 O ASN A 52 -0.563 6.985 -8.823 1.00 0.00 O ATOM 788 CB ASN A 52 -0.975 3.942 -10.080 1.00 0.00 C ATOM 789 CG ASN A 52 -1.882 4.431 -11.205 1.00 0.00 C ATOM 790 OD1 ASN A 52 -1.418 5.064 -12.154 1.00 0.00 O ATOM 791 ND2 ASN A 52 -3.177 4.156 -11.100 1.00 0.00 N ATOM 0 H ASN A 52 -3.020 3.643 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.280 4.578 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.064 4.066 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.139 2.874 -9.933 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.826 4.472 -11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.523 3.629 -10.298 1.00 0.00 H new ATOM 798 N ASP A 53 -2.688 6.452 -9.308 1.00 0.00 N ATOM 799 CA ASP A 53 -3.108 7.815 -9.549 1.00 0.00 C ATOM 800 C ASP A 53 -4.611 7.900 -9.400 1.00 0.00 C ATOM 801 O ASP A 53 -5.325 6.950 -9.719 1.00 0.00 O ATOM 802 CB ASP A 53 -2.688 8.274 -10.945 1.00 0.00 C ATOM 803 CG ASP A 53 -1.182 8.328 -11.108 1.00 0.00 C ATOM 804 OD1 ASP A 53 -0.589 9.380 -10.792 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.595 7.318 -11.551 1.00 0.00 O ATOM 0 H ASP A 53 -3.427 5.760 -9.429 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.628 8.471 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.107 7.596 -11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.107 9.261 -11.141 1.00 0.00 H new ATOM 810 N GLN A 54 -5.097 9.028 -8.923 1.00 0.00 N ATOM 811 CA GLN A 54 -6.515 9.212 -8.732 1.00 0.00 C ATOM 812 C GLN A 54 -6.861 10.702 -8.732 1.00 0.00 C ATOM 813 O GLN A 54 -7.603 11.166 -9.598 1.00 0.00 O ATOM 814 CB GLN A 54 -6.937 8.550 -7.422 1.00 0.00 C ATOM 815 CG GLN A 54 -6.576 7.068 -7.361 1.00 0.00 C ATOM 816 CD GLN A 54 -7.148 6.361 -6.145 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.367 6.288 -5.072 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -8.274 5.870 -6.176 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.526 9.831 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.059 8.745 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.462 9.069 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.014 8.662 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.938 6.575 -8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.491 6.965 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.841 5.948 -7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.641 5.384 -5.358 1.00 0.00 H new ATOM 827 N SER A 55 -6.329 11.455 -7.769 1.00 0.00 N ATOM 828 CA SER A 55 -6.579 12.894 -7.712 1.00 0.00 C ATOM 829 C SER A 55 -5.370 13.638 -7.147 1.00 0.00 C ATOM 830 O SER A 55 -5.518 14.541 -6.322 1.00 0.00 O ATOM 831 CB SER A 55 -7.807 13.188 -6.849 1.00 0.00 C ATOM 832 OG SER A 55 -8.202 14.543 -6.969 1.00 0.00 O ATOM 0 H SER A 55 -5.729 11.097 -7.026 1.00 0.00 H new ATOM 0 HA SER A 55 -6.760 13.241 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.630 12.538 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.585 12.962 -5.806 1.00 0.00 H new ATOM 0 HG SER A 55 -7.446 15.125 -6.746 1.00 0.00 H new ATOM 838 N GLY A 56 -4.176 13.258 -7.593 1.00 0.00 N ATOM 839 CA GLY A 56 -2.962 13.899 -7.111 1.00 0.00 C ATOM 840 C GLY A 56 -2.337 13.144 -5.955 1.00 0.00 C ATOM 841 O GLY A 56 -1.126 13.195 -5.743 1.00 0.00 O ATOM 0 H GLY A 56 -4.026 12.518 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.243 13.971 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.191 14.917 -6.797 1.00 0.00 H new ATOM 845 N TYR A 57 -3.179 12.443 -5.211 1.00 0.00 N ATOM 846 CA TYR A 57 -2.737 11.665 -4.059 1.00 0.00 C ATOM 847 C TYR A 57 -3.767 10.594 -3.736 1.00 0.00 C ATOM 848 O TYR A 57 -4.906 10.657 -4.195 1.00 0.00 O ATOM 849 CB TYR A 57 -2.535 12.563 -2.826 1.00 0.00 C ATOM 850 CG TYR A 57 -2.687 14.039 -3.093 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.936 14.610 -3.045 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.599 14.844 -3.399 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.119 15.956 -3.293 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.765 16.194 -3.648 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.029 16.745 -3.594 1.00 0.00 C ATOM 856 OH TYR A 57 -3.202 18.087 -3.842 1.00 0.00 O ATOM 0 H TYR A 57 -4.183 12.396 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.783 11.201 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.251 12.270 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.540 12.381 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.791 13.994 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.611 14.411 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.108 16.387 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.912 16.813 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.334 18.498 -4.037 1.00 0.00 H new ATOM 866 N LEU A 58 -3.362 9.613 -2.948 1.00 0.00 N ATOM 867 CA LEU A 58 -4.257 8.529 -2.565 1.00 0.00 C ATOM 868 C LEU A 58 -4.710 8.742 -1.127 1.00 0.00 C ATOM 869 O LEU A 58 -3.977 8.420 -0.199 1.00 0.00 O ATOM 870 CB LEU A 58 -3.504 7.200 -2.700 1.00 0.00 C ATOM 871 CG LEU A 58 -2.419 7.191 -3.788 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.555 5.944 -3.684 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.042 7.315 -5.167 1.00 0.00 C ATOM 0 H LEU A 58 -2.421 9.543 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.135 8.510 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.043 6.959 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.223 6.410 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.773 8.055 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.795 5.962 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.071 5.917 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.179 5.058 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.257 7.307 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.719 6.478 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.598 8.250 -5.232 1.00 0.00 H new ATOM 885 N ASP A 59 -5.930 9.241 -0.925 1.00 0.00 N ATOM 886 CA ASP A 59 -6.413 9.529 0.416 1.00 0.00 C ATOM 887 C ASP A 59 -7.317 8.431 0.934 1.00 0.00 C ATOM 888 O ASP A 59 -7.809 7.611 0.163 1.00 0.00 O ATOM 889 CB ASP A 59 -7.159 10.865 0.422 1.00 0.00 C ATOM 890 CG ASP A 59 -8.277 10.910 -0.601 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.012 11.313 -1.753 1.00 0.00 O ATOM 892 OD2 ASP A 59 -9.419 10.545 -0.248 1.00 0.00 O ATOM 0 H ASP A 59 -6.594 9.451 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.549 9.587 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.572 11.042 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.454 11.672 0.221 1.00 0.00 H new ATOM 897 N GLY A 60 -7.569 8.449 2.238 1.00 0.00 N ATOM 898 CA GLY A 60 -8.380 7.416 2.853 1.00 0.00 C ATOM 899 C GLY A 60 -9.606 7.037 2.040 1.00 0.00 C ATOM 900 O GLY A 60 -10.051 5.889 2.069 1.00 0.00 O ATOM 0 H GLY A 60 -7.225 9.162 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.767 6.528 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.699 7.756 3.838 1.00 0.00 H new ATOM 904 N ASP A 61 -10.141 8.001 1.303 1.00 0.00 N ATOM 905 CA ASP A 61 -11.319 7.762 0.484 1.00 0.00 C ATOM 906 C ASP A 61 -10.920 7.009 -0.777 1.00 0.00 C ATOM 907 O ASP A 61 -11.583 6.060 -1.196 1.00 0.00 O ATOM 908 CB ASP A 61 -11.989 9.080 0.103 1.00 0.00 C ATOM 909 CG ASP A 61 -13.444 8.899 -0.282 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.714 8.638 -1.474 1.00 0.00 O ATOM 911 OD2 ASP A 61 -14.313 9.016 0.607 1.00 0.00 O ATOM 0 H ASP A 61 -9.778 8.953 1.256 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.027 7.166 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.921 9.774 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.449 9.531 -0.729 1.00 0.00 H new ATOM 916 N GLU A 62 -9.819 7.458 -1.369 1.00 0.00 N ATOM 917 CA GLU A 62 -9.302 6.879 -2.595 1.00 0.00 C ATOM 918 C GLU A 62 -8.635 5.536 -2.329 1.00 0.00 C ATOM 919 O GLU A 62 -8.694 4.623 -3.152 1.00 0.00 O ATOM 920 CB GLU A 62 -8.306 7.844 -3.231 1.00 0.00 C ATOM 921 CG GLU A 62 -8.831 9.261 -3.330 1.00 0.00 C ATOM 922 CD GLU A 62 -9.930 9.407 -4.365 1.00 0.00 C ATOM 923 OE1 GLU A 62 -9.604 9.578 -5.558 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.118 9.350 -3.981 1.00 0.00 O ATOM 0 H GLU A 62 -9.263 8.234 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.134 6.709 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.386 7.844 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.050 7.487 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.210 9.572 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.009 9.932 -3.581 1.00 0.00 H new ATOM 931 N LEU A 63 -8.004 5.428 -1.168 1.00 0.00 N ATOM 932 CA LEU A 63 -7.316 4.203 -0.776 1.00 0.00 C ATOM 933 C LEU A 63 -8.169 2.958 -1.029 1.00 0.00 C ATOM 934 O LEU A 63 -7.658 1.951 -1.509 1.00 0.00 O ATOM 935 CB LEU A 63 -6.890 4.291 0.697 1.00 0.00 C ATOM 936 CG LEU A 63 -5.818 5.351 0.970 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.264 5.242 2.383 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.705 5.258 -0.064 1.00 0.00 C ATOM 0 H LEU A 63 -7.954 6.177 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.426 4.104 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.767 4.510 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.515 3.318 1.015 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.288 6.331 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.507 6.011 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.072 5.379 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.816 4.258 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.951 6.017 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.247 4.270 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.119 5.420 -1.059 1.00 0.00 H new ATOM 950 N LYS A 64 -9.460 3.012 -0.706 1.00 0.00 N ATOM 951 CA LYS A 64 -10.340 1.869 -0.937 1.00 0.00 C ATOM 952 C LYS A 64 -10.421 1.506 -2.410 1.00 0.00 C ATOM 953 O LYS A 64 -10.779 0.381 -2.758 1.00 0.00 O ATOM 954 CB LYS A 64 -11.750 2.201 -0.462 1.00 0.00 C ATOM 955 CG LYS A 64 -11.837 2.632 0.985 1.00 0.00 C ATOM 956 CD LYS A 64 -13.196 3.236 1.303 1.00 0.00 C ATOM 957 CE LYS A 64 -13.312 4.659 0.781 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.625 5.270 1.122 1.00 0.00 N ATOM 0 H LYS A 64 -9.915 3.824 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.924 1.027 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.154 2.995 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.384 1.326 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.658 1.774 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.055 3.361 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.980 2.621 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.354 3.229 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.509 5.266 1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.181 4.661 -0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.664 6.240 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.390 4.706 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.740 5.292 2.155 1.00 0.00 H new ATOM 972 N TYR A 65 -10.093 2.448 -3.272 1.00 0.00 N ATOM 973 CA TYR A 65 -10.159 2.194 -4.703 1.00 0.00 C ATOM 974 C TYR A 65 -9.000 1.321 -5.188 1.00 0.00 C ATOM 975 O TYR A 65 -9.087 0.731 -6.260 1.00 0.00 O ATOM 976 CB TYR A 65 -10.197 3.506 -5.492 1.00 0.00 C ATOM 977 CG TYR A 65 -11.207 4.510 -4.968 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.193 4.131 -4.063 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.167 5.842 -5.368 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.105 5.047 -3.571 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.077 6.762 -4.884 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.042 6.361 -3.985 1.00 0.00 C ATOM 983 OH TYR A 65 -13.947 7.276 -3.498 1.00 0.00 O ATOM 0 H TYR A 65 -9.782 3.385 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.084 1.646 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.206 3.959 -5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.426 3.285 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.247 3.102 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.411 6.163 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.862 4.735 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.032 7.791 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.713 7.508 -2.575 1.00 0.00 H new ATOM 993 N PHE A 66 -7.946 1.201 -4.373 1.00 0.00 N ATOM 994 CA PHE A 66 -6.760 0.409 -4.734 1.00 0.00 C ATOM 995 C PHE A 66 -7.173 -0.938 -5.333 1.00 0.00 C ATOM 996 O PHE A 66 -6.723 -1.320 -6.413 1.00 0.00 O ATOM 997 CB PHE A 66 -5.867 0.240 -3.475 1.00 0.00 C ATOM 998 CG PHE A 66 -5.405 -1.159 -3.146 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.762 -1.953 -4.083 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.620 -1.669 -1.882 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -4.347 -3.233 -3.755 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.213 -2.937 -1.545 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.573 -3.725 -2.483 1.00 0.00 C ATOM 0 H PHE A 66 -7.888 1.643 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.183 0.928 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.985 0.868 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.416 0.627 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.583 -1.570 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.118 -1.059 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.848 -3.845 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.393 -3.317 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.250 -4.722 -2.223 1.00 0.00 H new ATOM 1013 N LEU A 67 -8.027 -1.636 -4.616 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.532 -2.919 -5.068 1.00 0.00 C ATOM 1015 C LEU A 67 -9.447 -2.714 -6.265 1.00 0.00 C ATOM 1016 O LEU A 67 -9.532 -3.551 -7.156 1.00 0.00 O ATOM 1017 CB LEU A 67 -9.291 -3.605 -3.937 1.00 0.00 C ATOM 1018 CG LEU A 67 -8.420 -4.451 -3.011 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -9.258 -5.094 -1.924 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.664 -5.497 -3.808 1.00 0.00 C ATOM 0 H LEU A 67 -8.390 -1.336 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.696 -3.552 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.798 -2.844 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.064 -4.241 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.692 -3.799 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.617 -5.692 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.747 -4.318 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.014 -5.735 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.047 -6.092 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.373 -6.147 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.027 -5.004 -4.543 1.00 0.00 H new ATOM 1032 N GLN A 68 -10.104 -1.566 -6.271 1.00 0.00 N ATOM 1033 CA GLN A 68 -11.043 -1.194 -7.308 1.00 0.00 C ATOM 1034 C GLN A 68 -10.345 -0.748 -8.585 1.00 0.00 C ATOM 1035 O GLN A 68 -10.984 -0.641 -9.633 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.927 -0.069 -6.797 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.854 -0.485 -5.666 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.876 0.584 -5.332 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.617 1.777 -5.490 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -15.045 0.161 -4.868 1.00 0.00 N ATOM 0 H GLN A 68 -9.996 -0.859 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.639 -2.074 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.295 0.750 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.526 0.314 -7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.371 -1.404 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.262 -0.708 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.217 -0.838 -4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.772 0.835 -4.627 1.00 0.00 H new ATOM 1049 N LYS A 69 -9.042 -0.484 -8.516 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.315 -0.043 -9.686 1.00 0.00 C ATOM 1051 C LYS A 69 -7.997 -1.247 -10.552 1.00 0.00 C ATOM 1052 O LYS A 69 -8.328 -1.303 -11.736 1.00 0.00 O ATOM 1053 CB LYS A 69 -7.013 0.638 -9.271 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.183 1.688 -8.197 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.352 2.614 -8.480 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.260 3.223 -9.871 1.00 0.00 C ATOM 1057 NZ LYS A 69 -7.040 4.061 -10.032 1.00 0.00 N ATOM 0 H LYS A 69 -8.480 -0.569 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.925 0.669 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.316 -0.121 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.561 1.101 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.334 1.199 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.268 2.275 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.286 2.061 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.376 3.409 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.254 2.427 -10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.145 3.830 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.163 4.702 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.886 4.620 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.217 3.447 -10.198 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.339 -2.208 -9.916 1.00 0.00 N ATOM 1072 CA PHE A 70 -6.929 -3.443 -10.558 1.00 0.00 C ATOM 1073 C PHE A 70 -8.111 -4.400 -10.739 1.00 0.00 C ATOM 1074 O PHE A 70 -8.257 -5.023 -11.790 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.786 -4.063 -9.720 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.985 -5.492 -9.273 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.798 -6.544 -10.155 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -6.357 -5.773 -7.968 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.980 -7.851 -9.742 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -6.540 -7.077 -7.549 1.00 0.00 C ATOM 1081 CZ PHE A 70 -6.351 -8.118 -8.437 1.00 0.00 C ATOM 0 H PHE A 70 -7.075 -2.148 -8.933 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.562 -3.240 -11.564 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.867 -4.012 -10.304 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.636 -3.445 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.507 -6.341 -11.175 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.506 -4.963 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.832 -8.663 -10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.830 -7.282 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.493 -9.138 -8.113 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.950 -4.514 -9.713 1.00 0.00 N ATOM 1092 CA GLN A 71 -10.097 -5.410 -9.787 1.00 0.00 C ATOM 1093 C GLN A 71 -11.280 -4.729 -10.467 1.00 0.00 C ATOM 1094 O GLN A 71 -11.563 -4.995 -11.634 1.00 0.00 O ATOM 1095 CB GLN A 71 -10.499 -5.921 -8.398 1.00 0.00 C ATOM 1096 CG GLN A 71 -11.593 -6.980 -8.439 1.00 0.00 C ATOM 1097 CD GLN A 71 -12.045 -7.433 -7.060 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -12.132 -6.499 -6.115 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -12.337 -8.610 -6.851 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.859 -4.005 -8.834 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.801 -6.269 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.621 -6.335 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.839 -5.080 -7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.451 -6.585 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.232 -7.844 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.257 -9.296 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.659 -8.899 -5.927 1.00 0.00 H new ATOM 1108 N SER A 72 -11.960 -3.862 -9.701 1.00 0.00 N ATOM 1109 CA SER A 72 -13.144 -3.101 -10.140 1.00 0.00 C ATOM 1110 C SER A 72 -14.379 -3.608 -9.401 1.00 0.00 C ATOM 1111 O SER A 72 -15.506 -3.460 -9.873 1.00 0.00 O ATOM 1112 CB SER A 72 -13.379 -3.162 -11.651 1.00 0.00 C ATOM 1113 OG SER A 72 -14.482 -2.359 -12.030 1.00 0.00 O ATOM 0 H SER A 72 -11.697 -3.665 -8.735 1.00 0.00 H new ATOM 0 HA SER A 72 -12.956 -2.055 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.484 -2.826 -12.175 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.556 -4.194 -11.953 1.00 0.00 H new ATOM 0 HG SER A 72 -15.170 -2.397 -11.333 1.00 0.00 H new ATOM 1119 N ASP A 73 -14.151 -4.212 -8.233 1.00 0.00 N ATOM 1120 CA ASP A 73 -15.232 -4.764 -7.431 1.00 0.00 C ATOM 1121 C ASP A 73 -14.796 -4.939 -5.979 1.00 0.00 C ATOM 1122 O ASP A 73 -15.323 -5.793 -5.266 1.00 0.00 O ATOM 1123 CB ASP A 73 -15.685 -6.107 -8.007 1.00 0.00 C ATOM 1124 CG ASP A 73 -16.973 -6.602 -7.377 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -18.056 -6.221 -7.867 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -16.898 -7.371 -6.396 1.00 0.00 O ATOM 0 H ASP A 73 -13.223 -4.329 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 73 -16.068 -4.065 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.825 -6.009 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.901 -6.848 -7.854 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.833 -4.131 -5.543 1.00 0.00 N ATOM 1132 CA ALA A 74 -13.337 -4.211 -4.182 1.00 0.00 C ATOM 1133 C ALA A 74 -14.454 -3.977 -3.176 1.00 0.00 C ATOM 1134 O ALA A 74 -15.414 -3.257 -3.453 1.00 0.00 O ATOM 1135 CB ALA A 74 -12.241 -3.179 -3.970 1.00 0.00 C ATOM 0 H ALA A 74 -13.384 -3.416 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.936 -5.213 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.873 -3.244 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.422 -3.371 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.641 -2.181 -4.149 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.324 -4.591 -2.008 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.304 -4.418 -0.948 1.00 0.00 C ATOM 1143 C ARG A 75 -15.219 -3.003 -0.364 1.00 0.00 C ATOM 1144 O ARG A 75 -16.060 -2.609 0.444 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.071 -5.452 0.155 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.652 -5.444 0.698 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.981 -6.798 0.524 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.526 -6.704 0.616 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.715 -7.755 0.567 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.214 -8.977 0.444 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.402 -7.585 0.645 1.00 0.00 N ATOM 0 H ARG A 75 -13.550 -5.212 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.299 -4.562 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.766 -5.263 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.298 -6.445 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.069 -4.679 0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.667 -5.177 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.349 -7.485 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.257 -7.218 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.109 -5.779 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.223 -9.112 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.589 -9.782 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.014 -6.647 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.780 -8.393 0.607 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.174 -2.260 -0.771 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.926 -0.887 -0.323 1.00 0.00 C ATOM 1167 C GLU A 76 -13.010 -0.905 0.879 1.00 0.00 C ATOM 1168 O GLU A 76 -13.192 -0.161 1.843 1.00 0.00 O ATOM 1169 CB GLU A 76 -15.212 -0.137 -0.010 1.00 0.00 C ATOM 1170 CG GLU A 76 -16.227 -0.238 -1.129 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.198 0.927 -1.149 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -16.861 1.971 -1.746 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.296 0.794 -0.570 1.00 0.00 O ATOM 0 H GLU A 76 -13.473 -2.604 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.445 -0.351 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.646 -0.534 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.982 0.912 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.704 -0.286 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.785 -1.168 -1.024 1.00 0.00 H new ATOM 1180 N LEU A 77 -12.010 -1.770 0.783 1.00 0.00 N ATOM 1181 CA LEU A 77 -11.015 -1.975 1.832 1.00 0.00 C ATOM 1182 C LEU A 77 -11.587 -1.776 3.230 1.00 0.00 C ATOM 1183 O LEU A 77 -10.884 -1.335 4.133 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.842 -1.037 1.604 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.954 -1.414 0.424 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.956 -0.311 0.160 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.236 -2.728 0.693 1.00 0.00 C ATOM 0 H LEU A 77 -11.863 -2.359 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.683 -3.012 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.224 -0.028 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.233 -1.010 2.508 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.580 -1.543 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.324 -0.586 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.487 0.613 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.336 -0.162 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.607 -2.980 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.616 -2.628 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.970 -3.518 0.849 1.00 0.00 H new ATOM 1199 N THR A 78 -12.860 -2.121 3.394 1.00 0.00 N ATOM 1200 CA THR A 78 -13.556 -1.990 4.673 1.00 0.00 C ATOM 1201 C THR A 78 -13.147 -0.730 5.434 1.00 0.00 C ATOM 1202 O THR A 78 -12.458 0.145 4.912 1.00 0.00 O ATOM 1203 CB THR A 78 -13.297 -3.212 5.576 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.923 -3.237 5.982 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.638 -4.509 4.856 1.00 0.00 C ATOM 0 H THR A 78 -13.440 -2.499 2.645 1.00 0.00 H new ATOM 0 HA THR A 78 -14.616 -1.923 4.430 1.00 0.00 H new ATOM 0 HB THR A 78 -13.938 -3.125 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.788 -3.954 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.445 -5.354 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.691 -4.502 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.023 -4.601 3.961 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.656 -0.603 6.643 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.304 0.517 7.494 1.00 0.00 C ATOM 1215 C GLU A 79 -11.863 0.377 7.988 1.00 0.00 C ATOM 1216 O GLU A 79 -11.066 1.314 7.924 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.264 0.601 8.683 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.724 0.708 8.277 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.661 0.759 9.468 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -17.089 -0.318 9.932 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.968 1.875 9.936 1.00 0.00 O ATOM 0 H GLU A 79 -14.315 -1.261 7.059 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.386 1.435 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.133 -0.282 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.000 1.465 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.864 1.604 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.986 -0.144 7.650 1.00 0.00 H new ATOM 1228 N SER A 80 -11.555 -0.823 8.478 1.00 0.00 N ATOM 1229 CA SER A 80 -10.252 -1.149 9.060 1.00 0.00 C ATOM 1230 C SER A 80 -9.128 -1.411 8.053 1.00 0.00 C ATOM 1231 O SER A 80 -7.959 -1.198 8.372 1.00 0.00 O ATOM 1232 CB SER A 80 -10.401 -2.375 9.938 1.00 0.00 C ATOM 1233 OG SER A 80 -9.428 -2.391 10.968 1.00 0.00 O ATOM 0 H SER A 80 -12.210 -1.605 8.483 1.00 0.00 H new ATOM 0 HA SER A 80 -9.954 -0.261 9.617 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.399 -2.392 10.377 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.305 -3.274 9.330 1.00 0.00 H new ATOM 0 HG SER A 80 -9.867 -2.550 11.830 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.456 -1.871 6.848 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.404 -2.213 5.885 1.00 0.00 C ATOM 1241 C GLU A 81 -7.653 -0.974 5.402 1.00 0.00 C ATOM 1242 O GLU A 81 -6.422 -0.958 5.405 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.950 -3.013 4.702 1.00 0.00 C ATOM 1244 CG GLU A 81 -8.083 -4.207 4.337 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.658 -3.811 4.003 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -6.385 -3.515 2.820 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.814 -3.797 4.925 1.00 0.00 O ATOM 0 H GLU A 81 -10.411 -2.014 6.518 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.693 -2.849 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.955 -3.361 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.036 -2.356 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.075 -4.913 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.522 -4.723 3.484 1.00 0.00 H new ATOM 1254 N THR A 82 -8.379 0.066 4.986 1.00 0.00 N ATOM 1255 CA THR A 82 -7.730 1.290 4.546 1.00 0.00 C ATOM 1256 C THR A 82 -6.866 1.845 5.668 1.00 0.00 C ATOM 1257 O THR A 82 -5.926 2.593 5.413 1.00 0.00 O ATOM 1258 CB THR A 82 -8.728 2.368 4.127 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.501 2.796 5.254 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.646 1.860 3.035 1.00 0.00 C ATOM 0 H THR A 82 -9.398 0.081 4.947 1.00 0.00 H new ATOM 0 HA THR A 82 -7.126 1.031 3.676 1.00 0.00 H new ATOM 0 HB THR A 82 -8.165 3.216 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.135 3.488 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.347 2.646 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.054 1.574 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.199 0.994 3.398 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.162 1.429 6.913 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.402 1.879 8.070 1.00 0.00 C ATOM 1270 C LYS A 83 -4.939 1.604 7.803 1.00 0.00 C ATOM 1271 O LYS A 83 -4.056 2.375 8.172 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.858 1.133 9.317 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.461 1.823 10.605 1.00 0.00 C ATOM 1274 CD LYS A 83 -7.126 3.180 10.745 1.00 0.00 C ATOM 1275 CE LYS A 83 -8.635 3.042 10.783 1.00 0.00 C ATOM 1276 NZ LYS A 83 -9.306 4.321 11.145 1.00 0.00 N ATOM 0 H LYS A 83 -7.921 0.784 7.132 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.560 2.945 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.942 1.023 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.436 0.128 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.734 1.195 11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.378 1.944 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.778 3.667 11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.836 3.819 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.993 2.709 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.910 2.272 11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.336 4.181 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.985 4.627 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.066 5.050 10.443 1.00 0.00 H new ATOM 1290 N SER A 84 -4.713 0.483 7.138 1.00 0.00 N ATOM 1291 CA SER A 84 -3.401 0.060 6.736 1.00 0.00 C ATOM 1292 C SER A 84 -2.772 1.110 5.837 1.00 0.00 C ATOM 1293 O SER A 84 -1.684 1.617 6.105 1.00 0.00 O ATOM 1294 CB SER A 84 -3.569 -1.243 5.978 1.00 0.00 C ATOM 1295 OG SER A 84 -4.331 -2.163 6.741 1.00 0.00 O ATOM 0 H SER A 84 -5.454 -0.162 6.863 1.00 0.00 H new ATOM 0 HA SER A 84 -2.751 -0.075 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.062 -1.055 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.591 -1.669 5.753 1.00 0.00 H new ATOM 0 HG SER A 84 -4.876 -2.714 6.141 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.484 1.424 4.761 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.053 2.420 3.812 1.00 0.00 C ATOM 1303 C LEU A 85 -2.933 3.778 4.508 1.00 0.00 C ATOM 1304 O LEU A 85 -2.014 4.546 4.243 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.063 2.452 2.666 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.285 1.100 1.986 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.375 1.196 0.936 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.992 0.606 1.361 1.00 0.00 C ATOM 0 H LEU A 85 -4.377 0.989 4.530 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.070 2.178 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.017 2.815 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.725 3.170 1.919 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.604 0.385 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.515 0.222 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.307 1.509 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.088 1.926 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.165 -0.357 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.649 1.326 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.233 0.494 2.135 1.00 0.00 H new ATOM 1320 N MET A 86 -3.851 4.038 5.435 1.00 0.00 N ATOM 1321 CA MET A 86 -3.833 5.274 6.199 1.00 0.00 C ATOM 1322 C MET A 86 -2.497 5.369 6.930 1.00 0.00 C ATOM 1323 O MET A 86 -1.768 6.353 6.810 1.00 0.00 O ATOM 1324 CB MET A 86 -4.961 5.300 7.237 1.00 0.00 C ATOM 1325 CG MET A 86 -6.381 5.112 6.708 1.00 0.00 C ATOM 1326 SD MET A 86 -6.660 5.722 5.064 1.00 0.00 S ATOM 1327 CE MET A 86 -6.360 7.449 5.334 1.00 0.00 C ATOM 0 H MET A 86 -4.616 3.406 5.673 1.00 0.00 H new ATOM 0 HA MET A 86 -3.971 6.111 5.515 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.765 4.520 7.972 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.917 6.253 7.764 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.623 4.049 6.730 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.074 5.611 7.386 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.071 7.919 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.267 7.921 5.712 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.558 7.569 6.062 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.190 4.299 7.668 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.958 4.177 8.453 1.00 0.00 C ATOM 1339 C ASP A 87 0.279 3.969 7.575 1.00 0.00 C ATOM 1340 O ASP A 87 1.400 3.906 8.079 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.086 2.997 9.405 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.128 3.226 10.483 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -1.876 4.053 11.384 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -3.194 2.580 10.426 1.00 0.00 O ATOM 0 H ASP A 87 -2.797 3.483 7.738 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.826 5.112 8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.347 2.104 8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.120 2.807 9.873 1.00 0.00 H new ATOM 1349 N ALA A 88 0.075 3.864 6.272 1.00 0.00 N ATOM 1350 CA ALA A 88 1.164 3.608 5.340 1.00 0.00 C ATOM 1351 C ALA A 88 2.102 4.804 5.148 1.00 0.00 C ATOM 1352 O ALA A 88 3.282 4.616 4.850 1.00 0.00 O ATOM 1353 CB ALA A 88 0.587 3.162 4.016 1.00 0.00 C ATOM 0 H ALA A 88 -0.841 3.953 5.832 1.00 0.00 H new ATOM 0 HA ALA A 88 1.781 2.819 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.397 2.968 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.006 2.251 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.059 3.945 3.619 1.00 0.00 H new ATOM 1359 N ALA A 89 1.602 6.031 5.307 1.00 0.00 N ATOM 1360 CA ALA A 89 2.454 7.207 5.121 1.00 0.00 C ATOM 1361 C ALA A 89 1.943 8.431 5.887 1.00 0.00 C ATOM 1362 O ALA A 89 2.341 8.664 7.028 1.00 0.00 O ATOM 1363 CB ALA A 89 2.586 7.528 3.634 1.00 0.00 C ATOM 0 H ALA A 89 0.635 6.234 5.558 1.00 0.00 H new ATOM 0 HA ALA A 89 3.434 6.963 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.222 8.404 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.031 6.678 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.600 7.731 3.217 1.00 0.00 H new ATOM 1369 N ASP A 90 1.063 9.212 5.260 1.00 0.00 N ATOM 1370 CA ASP A 90 0.525 10.409 5.898 1.00 0.00 C ATOM 1371 C ASP A 90 -0.655 10.030 6.782 1.00 0.00 C ATOM 1372 O ASP A 90 -1.806 10.293 6.448 1.00 0.00 O ATOM 1373 CB ASP A 90 0.103 11.442 4.851 1.00 0.00 C ATOM 1374 CG ASP A 90 0.587 12.835 5.198 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.134 13.383 6.224 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.423 13.377 4.445 1.00 0.00 O ATOM 0 H ASP A 90 0.711 9.038 4.319 1.00 0.00 H new ATOM 0 HA ASP A 90 1.303 10.859 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.499 11.153 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.984 11.447 4.765 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.351 9.405 7.908 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.384 8.943 8.838 1.00 0.00 C ATOM 1383 C ASN A 91 -1.612 9.913 9.990 1.00 0.00 C ATOM 1384 O ASN A 91 -2.727 10.389 10.206 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.047 7.554 9.405 1.00 0.00 C ATOM 1386 CG ASN A 91 0.416 7.177 9.250 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.762 6.597 8.105 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.226 7.410 10.146 1.00 0.00 N flip ATOM 0 H ASN A 91 0.603 9.203 8.206 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.304 8.885 8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.311 7.528 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.662 6.806 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.917 7.857 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.207 7.156 10.026 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.548 10.201 10.726 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.630 11.066 11.890 1.00 0.00 C ATOM 1397 C ASP A 92 -0.787 12.543 11.535 1.00 0.00 C ATOM 1398 O ASP A 92 -0.986 13.368 12.427 1.00 0.00 O ATOM 1399 CB ASP A 92 0.617 10.874 12.751 1.00 0.00 C ATOM 1400 CG ASP A 92 0.749 9.454 13.269 1.00 0.00 C ATOM 1401 OD1 ASP A 92 0.104 9.133 14.291 1.00 0.00 O ATOM 1402 OD2 ASP A 92 1.494 8.664 12.653 1.00 0.00 O ATOM 0 H ASP A 92 0.388 9.844 10.534 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.528 10.779 12.438 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.501 11.128 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.583 11.564 13.594 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.702 12.899 10.253 1.00 0.00 N ATOM 1408 CA GLY A 93 -0.830 14.300 9.894 1.00 0.00 C ATOM 1409 C GLY A 93 -1.952 14.595 8.910 1.00 0.00 C ATOM 1410 O GLY A 93 -3.076 14.893 9.312 1.00 0.00 O ATOM 0 H GLY A 93 -0.550 12.258 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.996 14.882 10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.112 14.640 9.465 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.642 14.514 7.618 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.618 14.818 6.571 1.00 0.00 C ATOM 1416 C ASP A 94 -3.674 13.728 6.419 1.00 0.00 C ATOM 1417 O ASP A 94 -4.870 13.996 6.538 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.910 15.039 5.233 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.860 15.507 4.148 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.043 16.735 4.007 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -3.423 14.645 3.440 1.00 0.00 O ATOM 0 H ASP A 94 -0.723 14.241 7.270 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.131 15.731 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.118 15.776 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.433 14.110 4.919 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.237 12.501 6.154 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.178 11.408 5.977 1.00 0.00 C ATOM 1428 C GLY A 95 -4.165 10.829 4.569 1.00 0.00 C ATOM 1429 O GLY A 95 -4.945 9.929 4.262 1.00 0.00 O ATOM 0 H GLY A 95 -2.255 12.244 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.945 10.617 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.183 11.761 6.209 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.281 11.340 3.708 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.196 10.856 2.331 1.00 0.00 C ATOM 1435 C LYS A 96 -1.966 9.968 2.125 1.00 0.00 C ATOM 1436 O LYS A 96 -1.036 9.986 2.927 1.00 0.00 O ATOM 1437 CB LYS A 96 -3.209 12.050 1.347 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.848 12.470 0.788 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.801 12.620 1.879 1.00 0.00 C ATOM 1440 CE LYS A 96 0.073 13.841 1.639 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.711 13.812 0.294 1.00 0.00 N ATOM 0 H LYS A 96 -2.620 12.082 3.939 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.069 10.236 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.862 11.800 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.653 12.908 1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.511 11.730 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.952 13.415 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.292 12.706 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.179 11.726 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.530 14.744 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.846 13.891 2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.743 13.888 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.476 12.918 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.360 14.610 -0.274 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.973 9.201 1.040 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.869 8.307 0.718 1.00 0.00 C ATOM 1457 C ILE A 97 -0.417 8.459 -0.731 1.00 0.00 C ATOM 1458 O ILE A 97 -1.073 7.960 -1.635 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.271 6.832 0.894 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.793 6.551 2.290 1.00 0.00 C ATOM 1461 CG2 ILE A 97 -0.094 5.922 0.590 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.802 6.861 3.388 1.00 0.00 C ATOM 0 H ILE A 97 -2.737 9.182 0.365 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.065 8.580 1.402 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.077 6.629 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.697 7.137 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.077 5.501 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.395 4.882 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.232 6.080 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.727 6.149 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.249 6.634 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.094 6.256 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.536 7.917 3.350 1.00 0.00 H new ATOM 1474 N GLY A 98 0.684 9.157 -0.942 1.00 0.00 N ATOM 1475 CA GLY A 98 1.249 9.299 -2.267 1.00 0.00 C ATOM 1476 C GLY A 98 2.640 8.703 -2.316 1.00 0.00 C ATOM 1477 O GLY A 98 3.214 8.394 -1.276 1.00 0.00 O ATOM 0 H GLY A 98 1.205 9.636 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.609 8.804 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.289 10.353 -2.541 1.00 0.00 H new ATOM 1481 N ALA A 99 3.190 8.531 -3.508 1.00 0.00 N ATOM 1482 CA ALA A 99 4.524 7.951 -3.634 1.00 0.00 C ATOM 1483 C ALA A 99 5.521 8.700 -2.750 1.00 0.00 C ATOM 1484 O ALA A 99 6.314 8.090 -2.033 1.00 0.00 O ATOM 1485 CB ALA A 99 4.972 7.970 -5.084 1.00 0.00 C ATOM 0 H ALA A 99 2.744 8.779 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 99 4.485 6.914 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.968 7.535 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.274 7.391 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.996 8.999 -5.444 1.00 0.00 H new ATOM 1491 N ASP A 100 5.472 10.024 -2.815 1.00 0.00 N ATOM 1492 CA ASP A 100 6.350 10.866 -2.008 1.00 0.00 C ATOM 1493 C ASP A 100 6.151 10.568 -0.525 1.00 0.00 C ATOM 1494 O ASP A 100 7.109 10.333 0.209 1.00 0.00 O ATOM 1495 CB ASP A 100 6.076 12.344 -2.284 1.00 0.00 C ATOM 1496 CG ASP A 100 7.084 13.255 -1.610 1.00 0.00 C ATOM 1497 OD1 ASP A 100 6.846 13.647 -0.449 1.00 0.00 O ATOM 1498 OD2 ASP A 100 8.112 13.574 -2.243 1.00 0.00 O ATOM 0 H ASP A 100 4.833 10.540 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 100 7.383 10.645 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.094 12.519 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.074 12.596 -1.937 1.00 0.00 H new ATOM 1503 N GLU A 101 4.893 10.577 -0.096 1.00 0.00 N ATOM 1504 CA GLU A 101 4.540 10.299 1.288 1.00 0.00 C ATOM 1505 C GLU A 101 4.947 8.878 1.652 1.00 0.00 C ATOM 1506 O GLU A 101 5.588 8.647 2.675 1.00 0.00 O ATOM 1507 CB GLU A 101 3.032 10.497 1.483 1.00 0.00 C ATOM 1508 CG GLU A 101 2.645 11.722 2.303 1.00 0.00 C ATOM 1509 CD GLU A 101 3.624 12.878 2.191 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.598 12.908 2.972 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.415 13.752 1.323 1.00 0.00 O ATOM 0 H GLU A 101 4.093 10.777 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 101 5.072 10.988 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.561 10.570 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.624 9.610 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.660 12.062 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.559 11.433 3.350 1.00 0.00 H new ATOM 1518 N PHE A 102 4.564 7.925 0.812 1.00 0.00 N ATOM 1519 CA PHE A 102 4.917 6.537 1.034 1.00 0.00 C ATOM 1520 C PHE A 102 6.433 6.389 1.107 1.00 0.00 C ATOM 1521 O PHE A 102 6.960 5.731 2.005 1.00 0.00 O ATOM 1522 CB PHE A 102 4.341 5.652 -0.063 1.00 0.00 C ATOM 1523 CG PHE A 102 4.666 4.207 0.150 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.952 3.748 -0.046 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.691 3.314 0.569 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.267 2.426 0.168 1.00 0.00 C ATOM 1527 CE2 PHE A 102 4.000 1.985 0.781 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.292 1.539 0.581 1.00 0.00 C ATOM 0 H PHE A 102 4.009 8.092 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 102 4.489 6.216 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.259 5.778 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.732 5.972 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.720 4.434 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.681 3.661 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.279 2.081 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.233 1.296 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.539 0.501 0.747 1.00 0.00 H new ATOM 1538 N GLN A 103 7.134 7.007 0.153 1.00 0.00 N ATOM 1539 CA GLN A 103 8.594 6.957 0.123 1.00 0.00 C ATOM 1540 C GLN A 103 9.175 7.362 1.468 1.00 0.00 C ATOM 1541 O GLN A 103 10.223 6.863 1.879 1.00 0.00 O ATOM 1542 CB GLN A 103 9.145 7.877 -0.961 1.00 0.00 C ATOM 1543 CG GLN A 103 8.913 7.369 -2.363 1.00 0.00 C ATOM 1544 CD GLN A 103 10.107 6.629 -2.924 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.872 6.006 -2.188 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.273 6.699 -4.238 1.00 0.00 N ATOM 0 H GLN A 103 6.714 7.545 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 103 8.884 5.930 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.685 8.860 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.216 8.008 -0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.047 6.707 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.674 8.210 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.613 7.228 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.061 6.224 -4.679 1.00 0.00 H new ATOM 1555 N GLU A 104 8.490 8.271 2.155 1.00 0.00 N ATOM 1556 CA GLU A 104 8.958 8.731 3.455 1.00 0.00 C ATOM 1557 C GLU A 104 8.956 7.575 4.447 1.00 0.00 C ATOM 1558 O GLU A 104 9.771 7.526 5.369 1.00 0.00 O ATOM 1559 CB GLU A 104 8.088 9.876 3.980 1.00 0.00 C ATOM 1560 CG GLU A 104 8.193 11.149 3.156 1.00 0.00 C ATOM 1561 CD GLU A 104 9.585 11.747 3.181 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.899 12.479 4.144 1.00 0.00 O ATOM 1563 OE2 GLU A 104 10.361 11.486 2.239 1.00 0.00 O ATOM 0 H GLU A 104 7.620 8.698 1.837 1.00 0.00 H new ATOM 0 HA GLU A 104 9.976 9.104 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.048 9.551 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.373 10.095 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.913 10.934 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.480 11.882 3.534 1.00 0.00 H new ATOM 1570 N MET A 105 8.031 6.643 4.242 1.00 0.00 N ATOM 1571 CA MET A 105 7.902 5.482 5.111 1.00 0.00 C ATOM 1572 C MET A 105 9.151 4.606 5.068 1.00 0.00 C ATOM 1573 O MET A 105 9.747 4.318 6.106 1.00 0.00 O ATOM 1574 CB MET A 105 6.673 4.667 4.723 1.00 0.00 C ATOM 1575 CG MET A 105 5.996 3.999 5.907 1.00 0.00 C ATOM 1576 SD MET A 105 7.002 2.690 6.635 1.00 0.00 S ATOM 1577 CE MET A 105 6.088 2.351 8.139 1.00 0.00 C ATOM 0 H MET A 105 7.357 6.671 3.477 1.00 0.00 H new ATOM 0 HA MET A 105 7.785 5.843 6.133 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.956 5.319 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.965 3.903 4.002 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.778 4.749 6.667 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.041 3.583 5.587 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.145 1.287 8.367 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.517 2.922 8.962 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.045 2.638 8.004 1.00 0.00 H new ATOM 1587 N VAL A 106 9.549 4.175 3.871 1.00 0.00 N ATOM 1588 CA VAL A 106 10.728 3.333 3.722 1.00 0.00 C ATOM 1589 C VAL A 106 11.980 4.053 4.203 1.00 0.00 C ATOM 1590 O VAL A 106 12.940 3.424 4.651 1.00 0.00 O ATOM 1591 CB VAL A 106 10.927 2.903 2.254 1.00 0.00 C ATOM 1592 CG1 VAL A 106 11.143 4.110 1.362 1.00 0.00 C ATOM 1593 CG2 VAL A 106 12.085 1.917 2.132 1.00 0.00 C ATOM 0 H VAL A 106 9.073 4.396 2.996 1.00 0.00 H new ATOM 0 HA VAL A 106 10.565 2.446 4.334 1.00 0.00 H new ATOM 0 HB VAL A 106 10.019 2.399 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.281 3.781 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.274 4.766 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.029 4.652 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.208 1.627 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 106 13.002 2.387 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.874 1.032 2.732 1.00 0.00 H new ATOM 1603 N HIS A 107 11.961 5.377 4.108 1.00 0.00 N ATOM 1604 CA HIS A 107 13.091 6.194 4.529 1.00 0.00 C ATOM 1605 C HIS A 107 13.072 6.422 6.037 1.00 0.00 C ATOM 1606 O HIS A 107 14.116 6.410 6.688 1.00 0.00 O ATOM 1607 CB HIS A 107 13.070 7.535 3.794 1.00 0.00 C ATOM 1608 CG HIS A 107 14.337 8.319 3.941 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.251 8.474 2.918 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.842 8.999 4.999 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.262 9.211 3.342 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.037 9.544 4.599 1.00 0.00 N ATOM 0 H HIS A 107 11.172 5.909 3.741 1.00 0.00 H new ATOM 0 HA HIS A 107 14.008 5.662 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.884 7.356 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.238 8.132 4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.389 9.094 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.126 9.493 2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.652 10.114 5.180 1.00 0.00 H new ATOM 1621 N SER A 108 11.879 6.631 6.586 1.00 0.00 N ATOM 1622 CA SER A 108 11.727 6.863 8.019 1.00 0.00 C ATOM 1623 C SER A 108 12.439 5.781 8.824 1.00 0.00 C ATOM 1624 O SER A 108 13.635 5.966 9.133 1.00 0.00 O ATOM 1625 CB SER A 108 10.247 6.907 8.398 1.00 0.00 C ATOM 1626 OG SER A 108 9.607 5.676 8.107 1.00 0.00 O ATOM 1627 OXT SER A 108 11.793 4.760 9.141 1.00 0.00 O ATOM 0 H SER A 108 11.004 6.645 6.061 1.00 0.00 H new ATOM 0 HA SER A 108 12.182 7.825 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.147 7.130 9.460 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.754 7.714 7.856 1.00 0.00 H new ATOM 0 HG SER A 108 10.058 5.243 7.352 1.00 0.00 H new