USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 849 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 46 SER OG : rot 155:sc= 1.72 USER MOD Set 1.2: A 96 TYR OH : rot 78:sc= 0.774 USER MOD Set 2.1: A 84 MET CE :methyl -107:sc= -1.17 (180deg=-6.32!) USER MOD Set 2.2: A 86 CYS SG : rot 96:sc= -0.864 USER MOD Set 3.1: A 50 ASN : amide:sc= -1.13 K(o=-1.2,f=-0.29) USER MOD Set 3.2: A 69 MET CE :methyl 172:sc= -0.0237 (180deg=0) USER MOD Set 4.1: A 37 GLN : amide:sc= -3.35! C(o=-4!,f=-3.5!) USER MOD Set 4.2: A 74 GLN : amide:sc= -0.65 K(o=-4,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0321 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.108 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -96:sc= 0.0681 USER MOD Single : A 22 ASN : amide:sc= 0.638 K(o=0.64,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.746 K(o=-0.75,f=-3.1) USER MOD Single : A 33 SER OG : rot -8:sc= 0.218 USER MOD Single : A 35 THR OG1 : rot 82:sc= 0.9 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0257 (180deg=-0.238) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.632 X(o=-0.63,f=-0.54) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0653 K(o=-0.065,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -3.99! C(o=-4!,f=-9.9!) USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00155 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 112:sc= 0.659 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.997 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.029 (180deg=-0.514) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -142:sc= 1.42 USER MOD Single : A 94 ASN : amide:sc= -2.44 K(o=-2.4,f=-12!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -59:sc= -0.0288 USER MOD Single : A 102 SER OG : rot 160:sc= 0.968 USER MOD Single : A 107 TYR OH : rot -167:sc= -0.705 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -158:sc= -0.543 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 25:sc= 0.417 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.348 40.833 9.529 1.00 0.00 N ATOM 2 CA GLY A 1 -30.621 39.968 10.439 1.00 0.00 C ATOM 3 C GLY A 1 -29.193 40.425 10.658 1.00 0.00 C ATOM 4 O GLY A 1 -28.600 41.067 9.791 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.948 41.484 10.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.674 41.380 8.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.944 40.255 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.140 39.936 11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.617 38.952 10.044 1.00 0.00 H new ATOM 8 N SER A 2 -28.639 40.097 11.821 1.00 0.00 N ATOM 9 CA SER A 2 -27.273 40.483 12.153 1.00 0.00 C ATOM 10 C SER A 2 -26.601 39.417 13.013 1.00 0.00 C ATOM 11 O SER A 2 -27.219 38.416 13.376 1.00 0.00 O ATOM 12 CB SER A 2 -27.265 41.826 12.886 1.00 0.00 C ATOM 13 OG SER A 2 -25.945 42.323 13.026 1.00 0.00 O ATOM 0 H SER A 2 -29.115 39.565 12.549 1.00 0.00 H new ATOM 0 HA SER A 2 -26.713 40.581 11.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.872 42.547 12.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.719 41.710 13.870 1.00 0.00 H new ATOM 0 HG SER A 2 -25.967 43.183 13.496 1.00 0.00 H new ATOM 19 N SER A 3 -25.331 39.640 13.336 1.00 0.00 N ATOM 20 CA SER A 3 -24.572 38.698 14.150 1.00 0.00 C ATOM 21 C SER A 3 -24.515 37.327 13.483 1.00 0.00 C ATOM 22 O SER A 3 -24.742 36.302 14.124 1.00 0.00 O ATOM 23 CB SER A 3 -25.197 38.575 15.541 1.00 0.00 C ATOM 24 OG SER A 3 -24.957 39.740 16.313 1.00 0.00 O ATOM 0 H SER A 3 -24.806 40.465 13.046 1.00 0.00 H new ATOM 0 HA SER A 3 -23.555 39.078 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.271 38.412 15.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.785 37.705 16.052 1.00 0.00 H new ATOM 0 HG SER A 3 -25.368 39.637 17.197 1.00 0.00 H new ATOM 30 N GLY A 4 -24.209 37.318 12.189 1.00 0.00 N ATOM 31 CA GLY A 4 -24.127 36.068 11.455 1.00 0.00 C ATOM 32 C GLY A 4 -22.696 35.641 11.196 1.00 0.00 C ATOM 33 O GLY A 4 -21.833 36.473 10.920 1.00 0.00 O ATOM 0 H GLY A 4 -24.017 38.153 11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.640 35.287 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.649 36.174 10.504 1.00 0.00 H new ATOM 37 N SER A 5 -22.444 34.339 11.286 1.00 0.00 N ATOM 38 CA SER A 5 -21.106 33.803 11.065 1.00 0.00 C ATOM 39 C SER A 5 -21.125 32.723 9.988 1.00 0.00 C ATOM 40 O SER A 5 -22.188 32.244 9.591 1.00 0.00 O ATOM 41 CB SER A 5 -20.541 33.231 12.367 1.00 0.00 C ATOM 42 OG SER A 5 -21.074 31.945 12.632 1.00 0.00 O ATOM 0 H SER A 5 -23.148 33.636 11.510 1.00 0.00 H new ATOM 0 HA SER A 5 -20.466 34.618 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.455 33.171 12.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.773 33.902 13.194 1.00 0.00 H new ATOM 0 HG SER A 5 -20.696 31.600 13.468 1.00 0.00 H new ATOM 48 N SER A 6 -19.941 32.343 9.518 1.00 0.00 N ATOM 49 CA SER A 6 -19.820 31.323 8.484 1.00 0.00 C ATOM 50 C SER A 6 -19.536 29.956 9.099 1.00 0.00 C ATOM 51 O SER A 6 -19.319 29.839 10.305 1.00 0.00 O ATOM 52 CB SER A 6 -18.708 31.692 7.500 1.00 0.00 C ATOM 53 OG SER A 6 -17.430 31.529 8.090 1.00 0.00 O ATOM 0 H SER A 6 -19.052 32.727 9.837 1.00 0.00 H new ATOM 0 HA SER A 6 -20.768 31.272 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.784 31.067 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.833 32.725 7.176 1.00 0.00 H new ATOM 0 HG SER A 6 -16.737 31.770 7.440 1.00 0.00 H new ATOM 59 N GLY A 7 -19.540 28.924 8.261 1.00 0.00 N ATOM 60 CA GLY A 7 -19.282 27.578 8.740 1.00 0.00 C ATOM 61 C GLY A 7 -17.807 27.229 8.722 1.00 0.00 C ATOM 62 O GLY A 7 -16.968 28.030 9.132 1.00 0.00 O ATOM 0 H GLY A 7 -19.717 28.996 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.663 27.478 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.828 26.865 8.123 1.00 0.00 H new ATOM 66 N ALA A 8 -17.491 26.029 8.246 1.00 0.00 N ATOM 67 CA ALA A 8 -16.107 25.576 8.175 1.00 0.00 C ATOM 68 C ALA A 8 -15.781 25.021 6.793 1.00 0.00 C ATOM 69 O ALA A 8 -15.843 23.813 6.568 1.00 0.00 O ATOM 70 CB ALA A 8 -15.841 24.525 9.243 1.00 0.00 C ATOM 0 H ALA A 8 -18.174 25.353 7.904 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.460 26.435 8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.804 24.195 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.025 24.953 10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.503 23.673 9.088 1.00 0.00 H new ATOM 76 N GLU A 9 -15.435 25.913 5.869 1.00 0.00 N ATOM 77 CA GLU A 9 -15.100 25.511 4.508 1.00 0.00 C ATOM 78 C GLU A 9 -14.003 24.451 4.508 1.00 0.00 C ATOM 79 O GLU A 9 -13.059 24.519 5.296 1.00 0.00 O ATOM 80 CB GLU A 9 -14.653 26.724 3.690 1.00 0.00 C ATOM 81 CG GLU A 9 -15.681 27.842 3.648 1.00 0.00 C ATOM 82 CD GLU A 9 -15.421 28.833 2.530 1.00 0.00 C ATOM 83 OE1 GLU A 9 -15.587 28.455 1.351 1.00 0.00 O ATOM 84 OE2 GLU A 9 -15.051 29.986 2.834 1.00 0.00 O ATOM 0 H GLU A 9 -15.380 26.917 6.038 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.993 25.084 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.724 27.111 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.435 26.404 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.675 27.412 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.679 28.368 4.603 1.00 0.00 H new ATOM 91 N ILE A 10 -14.134 23.472 3.619 1.00 0.00 N ATOM 92 CA ILE A 10 -13.154 22.398 3.515 1.00 0.00 C ATOM 93 C ILE A 10 -11.732 22.940 3.616 1.00 0.00 C ATOM 94 O ILE A 10 -11.375 23.905 2.940 1.00 0.00 O ATOM 95 CB ILE A 10 -13.304 21.625 2.192 1.00 0.00 C ATOM 96 CG1 ILE A 10 -14.709 21.030 2.079 1.00 0.00 C ATOM 97 CG2 ILE A 10 -12.251 20.531 2.095 1.00 0.00 C ATOM 98 CD1 ILE A 10 -15.181 20.860 0.652 1.00 0.00 C ATOM 0 H ILE A 10 -14.909 23.401 2.960 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.341 21.718 4.346 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.156 22.319 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.725 20.060 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.411 21.673 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.370 19.994 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.258 20.978 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.370 19.837 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.184 20.434 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.198 21.831 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.502 20.193 0.121 1.00 0.00 H new ATOM 110 N PHE A 11 -10.924 22.311 4.463 1.00 0.00 N ATOM 111 CA PHE A 11 -9.540 22.729 4.653 1.00 0.00 C ATOM 112 C PHE A 11 -8.576 21.617 4.250 1.00 0.00 C ATOM 113 O PHE A 11 -8.647 20.501 4.764 1.00 0.00 O ATOM 114 CB PHE A 11 -9.300 23.124 6.111 1.00 0.00 C ATOM 115 CG PHE A 11 -7.947 23.731 6.353 1.00 0.00 C ATOM 116 CD1 PHE A 11 -7.713 25.068 6.075 1.00 0.00 C ATOM 117 CD2 PHE A 11 -6.909 22.964 6.857 1.00 0.00 C ATOM 118 CE1 PHE A 11 -6.469 25.629 6.296 1.00 0.00 C ATOM 119 CE2 PHE A 11 -5.663 23.519 7.080 1.00 0.00 C ATOM 120 CZ PHE A 11 -5.443 24.854 6.800 1.00 0.00 C ATOM 0 H PHE A 11 -11.204 21.510 5.029 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.357 23.594 4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.068 23.834 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.412 22.242 6.741 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.512 25.679 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.076 21.920 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.300 26.672 6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.862 22.910 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.471 25.291 6.975 1.00 0.00 H new ATOM 130 N THR A 12 -7.674 21.931 3.324 1.00 0.00 N ATOM 131 CA THR A 12 -6.697 20.959 2.850 1.00 0.00 C ATOM 132 C THR A 12 -5.275 21.418 3.151 1.00 0.00 C ATOM 133 O THR A 12 -5.056 22.545 3.596 1.00 0.00 O ATOM 134 CB THR A 12 -6.836 20.717 1.335 1.00 0.00 C ATOM 135 OG1 THR A 12 -6.768 21.962 0.631 1.00 0.00 O ATOM 136 CG2 THR A 12 -8.150 20.019 1.017 1.00 0.00 C ATOM 0 H THR A 12 -7.600 22.850 2.888 1.00 0.00 H new ATOM 0 HA THR A 12 -6.895 20.027 3.379 1.00 0.00 H new ATOM 0 HB THR A 12 -6.015 20.075 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.855 21.799 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.226 19.859 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.185 19.058 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.982 20.639 1.351 1.00 0.00 H new ATOM 144 N THR A 13 -4.309 20.538 2.906 1.00 0.00 N ATOM 145 CA THR A 13 -2.908 20.852 3.151 1.00 0.00 C ATOM 146 C THR A 13 -2.234 21.381 1.890 1.00 0.00 C ATOM 147 O THR A 13 -2.835 21.404 0.816 1.00 0.00 O ATOM 148 CB THR A 13 -2.135 19.618 3.654 1.00 0.00 C ATOM 149 OG1 THR A 13 -2.186 18.576 2.674 1.00 0.00 O ATOM 150 CG2 THR A 13 -2.713 19.116 4.968 1.00 0.00 C ATOM 0 H THR A 13 -4.472 19.601 2.538 1.00 0.00 H new ATOM 0 HA THR A 13 -2.887 21.623 3.921 1.00 0.00 H new ATOM 0 HB THR A 13 -1.098 19.909 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.691 17.796 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.151 18.244 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.645 19.903 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.758 18.841 4.824 1.00 0.00 H new ATOM 158 N LEU A 14 -0.982 21.805 2.028 1.00 0.00 N ATOM 159 CA LEU A 14 -0.225 22.333 0.898 1.00 0.00 C ATOM 160 C LEU A 14 1.147 21.674 0.806 1.00 0.00 C ATOM 161 O LEU A 14 1.981 21.826 1.699 1.00 0.00 O ATOM 162 CB LEU A 14 -0.068 23.849 1.029 1.00 0.00 C ATOM 163 CG LEU A 14 0.467 24.355 2.368 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.137 25.710 2.198 1.00 0.00 C ATOM 165 CD2 LEU A 14 -0.654 24.438 3.394 1.00 0.00 C ATOM 0 H LEU A 14 -0.470 21.793 2.910 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.777 22.108 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.600 24.194 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.039 24.311 0.850 1.00 0.00 H new ATOM 0 HG LEU A 14 1.212 23.647 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.512 26.054 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.967 25.620 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.413 26.428 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.254 24.800 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.423 25.124 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.089 23.449 3.538 1.00 0.00 H new ATOM 177 N SER A 15 1.375 20.943 -0.280 1.00 0.00 N ATOM 178 CA SER A 15 2.646 20.259 -0.488 1.00 0.00 C ATOM 179 C SER A 15 3.204 19.736 0.832 1.00 0.00 C ATOM 180 O SER A 15 4.343 20.031 1.197 1.00 0.00 O ATOM 181 CB SER A 15 3.656 21.203 -1.144 1.00 0.00 C ATOM 182 OG SER A 15 3.226 21.591 -2.437 1.00 0.00 O ATOM 0 H SER A 15 0.696 20.809 -1.030 1.00 0.00 H new ATOM 0 HA SER A 15 2.470 19.411 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.790 22.087 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.627 20.712 -1.212 1.00 0.00 H new ATOM 0 HG SER A 15 3.888 22.195 -2.834 1.00 0.00 H new ATOM 188 N CYS A 16 2.395 18.959 1.543 1.00 0.00 N ATOM 189 CA CYS A 16 2.806 18.395 2.823 1.00 0.00 C ATOM 190 C CYS A 16 3.013 16.888 2.713 1.00 0.00 C ATOM 191 O CYS A 16 3.996 16.348 3.219 1.00 0.00 O ATOM 192 CB CYS A 16 1.762 18.701 3.898 1.00 0.00 C ATOM 193 SG CYS A 16 2.127 17.970 5.511 1.00 0.00 S ATOM 0 H CYS A 16 1.450 18.705 1.254 1.00 0.00 H new ATOM 0 HA CYS A 16 3.754 18.854 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.679 19.782 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.791 18.341 3.559 1.00 0.00 H new ATOM 0 HG CYS A 16 1.486 16.845 5.633 1.00 0.00 H new ATOM 199 N GLU A 17 2.079 16.215 2.048 1.00 0.00 N ATOM 200 CA GLU A 17 2.158 14.769 1.874 1.00 0.00 C ATOM 201 C GLU A 17 1.285 14.314 0.708 1.00 0.00 C ATOM 202 O GLU A 17 0.221 14.872 0.440 1.00 0.00 O ATOM 203 CB GLU A 17 1.728 14.054 3.156 1.00 0.00 C ATOM 204 CG GLU A 17 0.238 14.152 3.438 1.00 0.00 C ATOM 205 CD GLU A 17 -0.086 14.023 4.913 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.315 14.915 5.690 1.00 0.00 O ATOM 207 OE2 GLU A 17 -0.742 13.029 5.292 1.00 0.00 O ATOM 0 H GLU A 17 1.260 16.647 1.621 1.00 0.00 H new ATOM 0 HA GLU A 17 3.194 14.511 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.008 13.003 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.277 14.475 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.136 15.108 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.285 13.371 2.885 1.00 0.00 H new ATOM 214 N PRO A 18 1.745 13.274 -0.004 1.00 0.00 N ATOM 215 CA PRO A 18 1.023 12.720 -1.153 1.00 0.00 C ATOM 216 C PRO A 18 -0.255 11.997 -0.741 1.00 0.00 C ATOM 217 O PRO A 18 -0.565 11.893 0.446 1.00 0.00 O ATOM 218 CB PRO A 18 2.024 11.732 -1.759 1.00 0.00 C ATOM 219 CG PRO A 18 2.908 11.345 -0.624 1.00 0.00 C ATOM 220 CD PRO A 18 3.006 12.560 0.258 1.00 0.00 C ATOM 0 HA PRO A 18 0.699 13.498 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.518 10.864 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.594 12.191 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.493 10.498 -0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.892 11.042 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.102 12.287 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.873 13.170 0.006 1.00 0.00 H new ATOM 228 N ASP A 19 -0.992 11.500 -1.728 1.00 0.00 N ATOM 229 CA ASP A 19 -2.236 10.785 -1.467 1.00 0.00 C ATOM 230 C ASP A 19 -1.957 9.364 -0.988 1.00 0.00 C ATOM 231 O ASP A 19 -0.879 8.819 -1.227 1.00 0.00 O ATOM 232 CB ASP A 19 -3.103 10.751 -2.726 1.00 0.00 C ATOM 233 CG ASP A 19 -4.145 9.650 -2.682 1.00 0.00 C ATOM 234 OD1 ASP A 19 -3.779 8.477 -2.901 1.00 0.00 O ATOM 235 OD2 ASP A 19 -5.327 9.963 -2.428 1.00 0.00 O ATOM 0 H ASP A 19 -0.750 11.579 -2.716 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.772 11.315 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.600 11.713 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.466 10.609 -3.599 1.00 0.00 H new ATOM 240 N ILE A 20 -2.933 8.771 -0.309 1.00 0.00 N ATOM 241 CA ILE A 20 -2.791 7.414 0.204 1.00 0.00 C ATOM 242 C ILE A 20 -2.869 6.390 -0.923 1.00 0.00 C ATOM 243 O ILE A 20 -3.900 6.224 -1.575 1.00 0.00 O ATOM 244 CB ILE A 20 -3.874 7.092 1.251 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.791 8.074 2.421 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.726 5.660 1.742 1.00 0.00 C ATOM 247 CD1 ILE A 20 -5.052 8.129 3.255 1.00 0.00 C ATOM 0 H ILE A 20 -3.831 9.209 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.811 7.356 0.677 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.853 7.196 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.954 7.794 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.577 9.070 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.498 5.447 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.830 4.974 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.744 5.531 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.921 8.845 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.889 8.438 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.256 7.143 3.672 1.00 0.00 H new ATOM 259 N PRO A 21 -1.753 5.683 -1.158 1.00 0.00 N ATOM 260 CA PRO A 21 -1.670 4.661 -2.205 1.00 0.00 C ATOM 261 C PRO A 21 -2.501 3.425 -1.876 1.00 0.00 C ATOM 262 O PRO A 21 -2.735 3.116 -0.708 1.00 0.00 O ATOM 263 CB PRO A 21 -0.181 4.310 -2.241 1.00 0.00 C ATOM 264 CG PRO A 21 0.320 4.645 -0.879 1.00 0.00 C ATOM 265 CD PRO A 21 -0.488 5.828 -0.420 1.00 0.00 C ATOM 0 HA PRO A 21 -2.060 5.021 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.028 3.255 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.342 4.882 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.197 3.801 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.383 4.884 -0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.648 5.812 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.009 6.769 -0.655 1.00 0.00 H new ATOM 273 N ASN A 22 -2.943 2.721 -2.913 1.00 0.00 N ATOM 274 CA ASN A 22 -3.748 1.518 -2.733 1.00 0.00 C ATOM 275 C ASN A 22 -2.963 0.446 -1.984 1.00 0.00 C ATOM 276 O ASN A 22 -1.733 0.405 -2.016 1.00 0.00 O ATOM 277 CB ASN A 22 -4.205 0.978 -4.090 1.00 0.00 C ATOM 278 CG ASN A 22 -4.533 2.085 -5.073 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.712 2.966 -5.329 1.00 0.00 O ATOM 280 ND2 ASN A 22 -5.738 2.044 -5.629 1.00 0.00 N ATOM 0 H ASN A 22 -2.757 2.963 -3.886 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.624 1.782 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.422 0.345 -4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.084 0.348 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.016 2.762 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.386 1.295 -5.387 1.00 0.00 H new ATOM 287 N PRO A 23 -3.690 -0.444 -1.292 1.00 0.00 N ATOM 288 CA PRO A 23 -3.084 -1.534 -0.522 1.00 0.00 C ATOM 289 C PRO A 23 -2.455 -2.596 -1.417 1.00 0.00 C ATOM 290 O PRO A 23 -2.949 -2.899 -2.504 1.00 0.00 O ATOM 291 CB PRO A 23 -4.266 -2.120 0.254 1.00 0.00 C ATOM 292 CG PRO A 23 -5.463 -1.780 -0.564 1.00 0.00 C ATOM 293 CD PRO A 23 -5.161 -0.455 -1.209 1.00 0.00 C ATOM 0 HA PRO A 23 -2.272 -1.181 0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.164 -3.198 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.335 -1.691 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.652 -2.546 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.356 -1.717 0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.620 -0.374 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.536 0.377 -0.613 1.00 0.00 H new ATOM 301 N PRO A 24 -1.339 -3.178 -0.953 1.00 0.00 N ATOM 302 CA PRO A 24 -0.620 -4.216 -1.696 1.00 0.00 C ATOM 303 C PRO A 24 -1.395 -5.528 -1.757 1.00 0.00 C ATOM 304 O PRO A 24 -2.138 -5.864 -0.835 1.00 0.00 O ATOM 305 CB PRO A 24 0.672 -4.396 -0.895 1.00 0.00 C ATOM 306 CG PRO A 24 0.323 -3.963 0.488 1.00 0.00 C ATOM 307 CD PRO A 24 -0.694 -2.867 0.334 1.00 0.00 C ATOM 0 HA PRO A 24 -0.457 -3.933 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.008 -5.433 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.481 -3.792 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.082 -4.793 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.205 -3.605 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.412 -2.867 1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.225 -1.883 0.321 1.00 0.00 H new ATOM 315 N ARG A 25 -1.217 -6.265 -2.849 1.00 0.00 N ATOM 316 CA ARG A 25 -1.901 -7.539 -3.030 1.00 0.00 C ATOM 317 C ARG A 25 -0.927 -8.705 -2.884 1.00 0.00 C ATOM 318 O ARG A 25 0.290 -8.512 -2.873 1.00 0.00 O ATOM 319 CB ARG A 25 -2.572 -7.591 -4.404 1.00 0.00 C ATOM 320 CG ARG A 25 -1.621 -7.313 -5.557 1.00 0.00 C ATOM 321 CD ARG A 25 -2.365 -7.213 -6.880 1.00 0.00 C ATOM 322 NE ARG A 25 -2.788 -5.845 -7.168 1.00 0.00 N ATOM 323 CZ ARG A 25 -3.596 -5.522 -8.171 1.00 0.00 C ATOM 324 NH1 ARG A 25 -4.066 -6.463 -8.978 1.00 0.00 N ATOM 325 NH2 ARG A 25 -3.936 -4.254 -8.369 1.00 0.00 N ATOM 0 H ARG A 25 -0.605 -6.001 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.664 -7.626 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.020 -8.575 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.384 -6.864 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.082 -6.384 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.877 -8.107 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.723 -7.571 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.238 -7.865 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.444 -5.097 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.807 -7.438 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.686 -6.212 -9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.576 -3.527 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.557 -4.007 -9.140 1.00 0.00 H new ATOM 339 N ILE A 26 -1.469 -9.912 -2.771 1.00 0.00 N ATOM 340 CA ILE A 26 -0.648 -11.108 -2.626 1.00 0.00 C ATOM 341 C ILE A 26 -0.308 -11.710 -3.985 1.00 0.00 C ATOM 342 O ILE A 26 -1.198 -12.069 -4.756 1.00 0.00 O ATOM 343 CB ILE A 26 -1.353 -12.174 -1.766 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.116 -11.900 -0.280 1.00 0.00 C ATOM 345 CG2 ILE A 26 -0.862 -13.564 -2.139 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.306 -12.161 0.163 1.00 0.00 C ATOM 0 H ILE A 26 -2.474 -10.088 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 26 0.271 -10.801 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.425 -12.125 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.370 -10.862 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.791 -12.522 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.369 -14.307 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.078 -13.756 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.213 -13.627 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.401 -11.946 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.558 -13.206 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.986 -11.520 -0.399 1.00 0.00 H new ATOM 358 N ALA A 27 0.985 -11.819 -4.271 1.00 0.00 N ATOM 359 CA ALA A 27 1.443 -12.381 -5.535 1.00 0.00 C ATOM 360 C ALA A 27 2.007 -13.784 -5.340 1.00 0.00 C ATOM 361 O ALA A 27 2.128 -14.553 -6.292 1.00 0.00 O ATOM 362 CB ALA A 27 2.487 -11.474 -6.169 1.00 0.00 C ATOM 0 H ALA A 27 1.734 -11.525 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 27 0.585 -12.452 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.820 -11.906 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.052 -10.492 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.338 -11.373 -5.496 1.00 0.00 H new ATOM 368 N ASN A 28 2.351 -14.111 -4.098 1.00 0.00 N ATOM 369 CA ASN A 28 2.904 -15.422 -3.778 1.00 0.00 C ATOM 370 C ASN A 28 3.113 -15.572 -2.274 1.00 0.00 C ATOM 371 O ASN A 28 3.931 -14.872 -1.678 1.00 0.00 O ATOM 372 CB ASN A 28 4.230 -15.633 -4.512 1.00 0.00 C ATOM 373 CG ASN A 28 4.629 -17.094 -4.577 1.00 0.00 C ATOM 374 OD1 ASN A 28 5.459 -17.558 -3.795 1.00 0.00 O ATOM 375 ND2 ASN A 28 4.037 -17.828 -5.513 1.00 0.00 N ATOM 0 H ASN A 28 2.256 -13.486 -3.297 1.00 0.00 H new ATOM 0 HA ASN A 28 2.191 -16.179 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.149 -15.236 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.014 -15.067 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.265 -18.818 -5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.355 -17.401 -6.140 1.00 0.00 H new ATOM 382 N ARG A 29 2.367 -16.490 -1.668 1.00 0.00 N ATOM 383 CA ARG A 29 2.470 -16.732 -0.233 1.00 0.00 C ATOM 384 C ARG A 29 2.577 -18.226 0.060 1.00 0.00 C ATOM 385 O ARG A 29 1.824 -19.032 -0.488 1.00 0.00 O ATOM 386 CB ARG A 29 1.259 -16.144 0.493 1.00 0.00 C ATOM 387 CG ARG A 29 -0.040 -16.878 0.204 1.00 0.00 C ATOM 388 CD ARG A 29 -1.213 -16.246 0.937 1.00 0.00 C ATOM 389 NE ARG A 29 -2.441 -17.019 0.775 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.650 -16.544 1.052 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.792 -15.305 1.503 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.721 -17.309 0.878 1.00 0.00 N ATOM 0 H ARG A 29 1.685 -17.078 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 29 3.374 -16.243 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.446 -16.162 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.147 -15.098 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.233 -16.869 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.057 -17.922 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.975 -16.162 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.370 -15.234 0.564 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.366 -17.976 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.972 -14.714 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.722 -14.943 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.616 -18.262 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.649 -16.943 1.091 1.00 0.00 H new ATOM 406 N THR A 30 3.517 -18.588 0.927 1.00 0.00 N ATOM 407 CA THR A 30 3.723 -19.983 1.292 1.00 0.00 C ATOM 408 C THR A 30 3.448 -20.211 2.774 1.00 0.00 C ATOM 409 O THR A 30 3.073 -19.286 3.496 1.00 0.00 O ATOM 410 CB THR A 30 5.159 -20.441 0.972 1.00 0.00 C ATOM 411 OG1 THR A 30 6.015 -20.187 2.091 1.00 0.00 O ATOM 412 CG2 THR A 30 5.694 -19.723 -0.257 1.00 0.00 C ATOM 0 H THR A 30 4.148 -17.934 1.390 1.00 0.00 H new ATOM 0 HA THR A 30 3.021 -20.571 0.701 1.00 0.00 H new ATOM 0 HB THR A 30 5.139 -21.511 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.925 -20.482 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.709 -20.062 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.056 -19.943 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.701 -18.648 -0.076 1.00 0.00 H new ATOM 420 N LYS A 31 3.638 -21.447 3.224 1.00 0.00 N ATOM 421 CA LYS A 31 3.412 -21.796 4.621 1.00 0.00 C ATOM 422 C LYS A 31 4.369 -21.035 5.534 1.00 0.00 C ATOM 423 O LYS A 31 4.072 -20.804 6.705 1.00 0.00 O ATOM 424 CB LYS A 31 3.586 -23.303 4.826 1.00 0.00 C ATOM 425 CG LYS A 31 2.733 -24.146 3.894 1.00 0.00 C ATOM 426 CD LYS A 31 2.910 -25.630 4.166 1.00 0.00 C ATOM 427 CE LYS A 31 4.040 -26.219 3.336 1.00 0.00 C ATOM 428 NZ LYS A 31 3.559 -26.722 2.020 1.00 0.00 N ATOM 0 H LYS A 31 3.948 -22.224 2.641 1.00 0.00 H new ATOM 0 HA LYS A 31 2.391 -21.515 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.634 -23.562 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.337 -23.552 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.684 -23.876 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.001 -23.930 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.117 -25.785 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.981 -26.155 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.807 -25.461 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.508 -27.035 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.359 -27.115 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.846 -27.464 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.135 -25.939 1.483 1.00 0.00 H new ATOM 442 N ASN A 32 5.516 -20.646 4.988 1.00 0.00 N ATOM 443 CA ASN A 32 6.516 -19.909 5.753 1.00 0.00 C ATOM 444 C ASN A 32 7.058 -18.732 4.948 1.00 0.00 C ATOM 445 O ASN A 32 8.252 -18.436 4.989 1.00 0.00 O ATOM 446 CB ASN A 32 7.663 -20.836 6.158 1.00 0.00 C ATOM 447 CG ASN A 32 7.170 -22.136 6.764 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.533 -22.945 6.091 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.464 -22.341 8.043 1.00 0.00 N ATOM 0 H ASN A 32 5.777 -20.829 4.019 1.00 0.00 H new ATOM 0 HA ASN A 32 6.037 -19.521 6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.275 -21.055 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.304 -20.324 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.159 -23.197 8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.995 -21.642 8.563 1.00 0.00 H new ATOM 456 N SER A 33 6.172 -18.063 4.218 1.00 0.00 N ATOM 457 CA SER A 33 6.561 -16.919 3.401 1.00 0.00 C ATOM 458 C SER A 33 5.335 -16.135 2.945 1.00 0.00 C ATOM 459 O SER A 33 4.215 -16.647 2.958 1.00 0.00 O ATOM 460 CB SER A 33 7.365 -17.385 2.185 1.00 0.00 C ATOM 461 OG SER A 33 8.604 -17.949 2.578 1.00 0.00 O ATOM 0 H SER A 33 5.179 -18.293 4.175 1.00 0.00 H new ATOM 0 HA SER A 33 7.183 -16.263 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.789 -18.121 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.541 -16.542 1.517 1.00 0.00 H new ATOM 0 HG SER A 33 8.742 -17.800 3.537 1.00 0.00 H new ATOM 467 N LEU A 34 5.555 -14.888 2.542 1.00 0.00 N ATOM 468 CA LEU A 34 4.469 -14.030 2.080 1.00 0.00 C ATOM 469 C LEU A 34 4.989 -12.954 1.134 1.00 0.00 C ATOM 470 O LEU A 34 5.812 -12.120 1.516 1.00 0.00 O ATOM 471 CB LEU A 34 3.765 -13.380 3.273 1.00 0.00 C ATOM 472 CG LEU A 34 2.557 -14.133 3.831 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.128 -13.540 5.164 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.405 -14.106 2.838 1.00 0.00 C ATOM 0 H LEU A 34 6.475 -14.449 2.526 1.00 0.00 H new ATOM 0 HA LEU A 34 3.755 -14.649 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.493 -13.256 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.441 -12.382 2.979 1.00 0.00 H new ATOM 0 HG LEU A 34 2.845 -15.172 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.267 -14.089 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.950 -13.613 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.859 -12.493 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.554 -14.647 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.118 -13.073 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.716 -14.579 1.907 1.00 0.00 H new ATOM 486 N THR A 35 4.504 -12.975 -0.103 1.00 0.00 N ATOM 487 CA THR A 35 4.919 -12.001 -1.105 1.00 0.00 C ATOM 488 C THR A 35 3.807 -10.997 -1.389 1.00 0.00 C ATOM 489 O THR A 35 2.671 -11.377 -1.674 1.00 0.00 O ATOM 490 CB THR A 35 5.324 -12.687 -2.423 1.00 0.00 C ATOM 491 OG1 THR A 35 6.248 -13.749 -2.158 1.00 0.00 O ATOM 492 CG2 THR A 35 5.953 -11.688 -3.382 1.00 0.00 C ATOM 0 H THR A 35 3.822 -13.657 -0.436 1.00 0.00 H new ATOM 0 HA THR A 35 5.783 -11.477 -0.697 1.00 0.00 H new ATOM 0 HB THR A 35 4.425 -13.095 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.755 -14.551 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.231 -12.196 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.237 -10.897 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.842 -11.255 -2.924 1.00 0.00 H new ATOM 500 N LEU A 36 4.141 -9.714 -1.310 1.00 0.00 N ATOM 501 CA LEU A 36 3.171 -8.653 -1.559 1.00 0.00 C ATOM 502 C LEU A 36 3.618 -7.768 -2.718 1.00 0.00 C ATOM 503 O LEU A 36 4.813 -7.574 -2.938 1.00 0.00 O ATOM 504 CB LEU A 36 2.976 -7.806 -0.301 1.00 0.00 C ATOM 505 CG LEU A 36 2.565 -8.565 0.962 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.081 -7.854 2.203 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.052 -8.717 1.023 1.00 0.00 C ATOM 0 H LEU A 36 5.077 -9.383 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 36 2.222 -9.118 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.906 -7.276 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.218 -7.051 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 36 3.010 -9.560 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.779 -8.408 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.169 -7.796 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.666 -6.847 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.777 -9.259 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.587 -7.731 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.706 -9.270 0.149 1.00 0.00 H new ATOM 519 N GLN A 37 2.649 -7.232 -3.454 1.00 0.00 N ATOM 520 CA GLN A 37 2.944 -6.365 -4.589 1.00 0.00 C ATOM 521 C GLN A 37 2.044 -5.134 -4.582 1.00 0.00 C ATOM 522 O GLN A 37 0.920 -5.178 -4.082 1.00 0.00 O ATOM 523 CB GLN A 37 2.770 -7.132 -5.901 1.00 0.00 C ATOM 524 CG GLN A 37 3.967 -7.996 -6.265 1.00 0.00 C ATOM 525 CD GLN A 37 4.944 -7.284 -7.180 1.00 0.00 C ATOM 526 OE1 GLN A 37 5.057 -6.058 -7.153 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.656 -8.051 -7.996 1.00 0.00 N ATOM 0 H GLN A 37 1.654 -7.383 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 37 3.979 -6.035 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.885 -7.764 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.588 -6.421 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.483 -8.298 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.618 -8.907 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.530 -9.063 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.330 -7.628 -8.635 1.00 0.00 H new ATOM 536 N TRP A 38 2.546 -4.038 -5.139 1.00 0.00 N ATOM 537 CA TRP A 38 1.786 -2.794 -5.196 1.00 0.00 C ATOM 538 C TRP A 38 2.356 -1.856 -6.255 1.00 0.00 C ATOM 539 O TRP A 38 3.285 -2.214 -6.980 1.00 0.00 O ATOM 540 CB TRP A 38 1.793 -2.105 -3.831 1.00 0.00 C ATOM 541 CG TRP A 38 3.168 -1.756 -3.348 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.829 -0.576 -3.538 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.052 -2.596 -2.597 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.070 -0.632 -2.951 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.230 -1.860 -2.366 1.00 0.00 C ATOM 546 CE3 TRP A 38 3.961 -3.897 -2.095 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.308 -2.384 -1.657 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.032 -4.416 -1.392 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.192 -3.660 -1.177 1.00 0.00 C ATOM 0 H TRP A 38 3.475 -3.985 -5.557 1.00 0.00 H new ATOM 0 HA TRP A 38 0.759 -3.037 -5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.194 -1.196 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.314 -2.757 -3.101 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.434 0.276 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.760 0.119 -2.951 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.070 -4.486 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.204 -1.804 -1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.974 -5.421 -1.002 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.011 -4.093 -0.621 1.00 0.00 H new ATOM 560 N LYS A 39 1.795 -0.655 -6.339 1.00 0.00 N ATOM 561 CA LYS A 39 2.249 0.336 -7.309 1.00 0.00 C ATOM 562 C LYS A 39 2.393 1.707 -6.658 1.00 0.00 C ATOM 563 O LYS A 39 2.097 1.878 -5.476 1.00 0.00 O ATOM 564 CB LYS A 39 1.269 0.416 -8.482 1.00 0.00 C ATOM 565 CG LYS A 39 -0.127 0.860 -8.079 1.00 0.00 C ATOM 566 CD LYS A 39 -1.181 0.308 -9.024 1.00 0.00 C ATOM 567 CE LYS A 39 -2.571 0.381 -8.411 1.00 0.00 C ATOM 568 NZ LYS A 39 -2.741 -0.599 -7.303 1.00 0.00 N ATOM 0 H LYS A 39 1.025 -0.343 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 39 3.226 0.026 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.661 1.110 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.207 -0.562 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.337 0.526 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.176 1.949 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.164 0.870 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.944 -0.727 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.750 1.388 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.318 0.191 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.754 -0.727 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.324 -1.511 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.264 -0.244 -6.450 1.00 0.00 H new ATOM 582 N ALA A 40 2.848 2.682 -7.438 1.00 0.00 N ATOM 583 CA ALA A 40 3.028 4.040 -6.938 1.00 0.00 C ATOM 584 C ALA A 40 1.762 4.867 -7.128 1.00 0.00 C ATOM 585 O ALA A 40 1.139 4.858 -8.190 1.00 0.00 O ATOM 586 CB ALA A 40 4.206 4.706 -7.633 1.00 0.00 C ATOM 0 H ALA A 40 3.099 2.557 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 40 3.236 3.983 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.329 5.719 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.113 4.133 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.021 4.744 -8.707 1.00 0.00 H new ATOM 592 N PRO A 41 1.369 5.600 -6.075 1.00 0.00 N ATOM 593 CA PRO A 41 0.173 6.447 -6.102 1.00 0.00 C ATOM 594 C PRO A 41 0.342 7.661 -7.009 1.00 0.00 C ATOM 595 O PRO A 41 1.252 7.707 -7.837 1.00 0.00 O ATOM 596 CB PRO A 41 0.016 6.886 -4.644 1.00 0.00 C ATOM 597 CG PRO A 41 1.390 6.805 -4.075 1.00 0.00 C ATOM 598 CD PRO A 41 2.064 5.659 -4.778 1.00 0.00 C ATOM 0 HA PRO A 41 -0.693 5.916 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.382 7.899 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.674 6.236 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.934 7.736 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.357 6.637 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.132 5.836 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.957 4.728 -4.222 1.00 0.00 H new ATOM 606 N SER A 42 -0.539 8.643 -6.847 1.00 0.00 N ATOM 607 CA SER A 42 -0.488 9.856 -7.654 1.00 0.00 C ATOM 608 C SER A 42 0.497 10.861 -7.063 1.00 0.00 C ATOM 609 O SER A 42 0.259 11.427 -5.996 1.00 0.00 O ATOM 610 CB SER A 42 -1.879 10.487 -7.752 1.00 0.00 C ATOM 611 OG SER A 42 -2.613 9.937 -8.832 1.00 0.00 O ATOM 0 H SER A 42 -1.297 8.622 -6.164 1.00 0.00 H new ATOM 0 HA SER A 42 -0.148 9.584 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.421 10.326 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.784 11.565 -7.884 1.00 0.00 H new ATOM 0 HG SER A 42 -3.498 10.355 -8.872 1.00 0.00 H new ATOM 617 N ASP A 43 1.604 11.076 -7.765 1.00 0.00 N ATOM 618 CA ASP A 43 2.627 12.012 -7.313 1.00 0.00 C ATOM 619 C ASP A 43 2.198 13.452 -7.573 1.00 0.00 C ATOM 620 O ASP A 43 2.327 13.957 -8.687 1.00 0.00 O ATOM 621 CB ASP A 43 3.955 11.727 -8.015 1.00 0.00 C ATOM 622 CG ASP A 43 4.436 10.307 -7.790 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.734 9.369 -8.219 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.515 10.135 -7.185 1.00 0.00 O ATOM 0 H ASP A 43 1.816 10.615 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 43 2.758 11.879 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.842 11.904 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.710 12.425 -7.654 1.00 0.00 H new ATOM 629 N ASN A 44 1.686 14.108 -6.537 1.00 0.00 N ATOM 630 CA ASN A 44 1.236 15.491 -6.654 1.00 0.00 C ATOM 631 C ASN A 44 2.193 16.437 -5.935 1.00 0.00 C ATOM 632 O ASN A 44 2.169 16.549 -4.710 1.00 0.00 O ATOM 633 CB ASN A 44 -0.174 15.640 -6.080 1.00 0.00 C ATOM 634 CG ASN A 44 -0.316 14.990 -4.717 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.264 15.663 -3.687 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.495 13.674 -4.705 1.00 0.00 N ATOM 0 H ASN A 44 1.572 13.705 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 44 1.220 15.754 -7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.421 16.699 -6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.892 15.195 -6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.596 13.181 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.532 13.156 -5.583 1.00 0.00 H new ATOM 643 N GLY A 45 3.035 17.117 -6.706 1.00 0.00 N ATOM 644 CA GLY A 45 3.988 18.046 -6.126 1.00 0.00 C ATOM 645 C GLY A 45 5.421 17.579 -6.284 1.00 0.00 C ATOM 646 O GLY A 45 6.125 18.010 -7.197 1.00 0.00 O ATOM 0 H GLY A 45 3.075 17.042 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.873 19.022 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.766 18.176 -5.067 1.00 0.00 H new ATOM 650 N SER A 46 5.856 16.696 -5.391 1.00 0.00 N ATOM 651 CA SER A 46 7.217 16.174 -5.431 1.00 0.00 C ATOM 652 C SER A 46 7.215 14.670 -5.686 1.00 0.00 C ATOM 653 O SER A 46 6.241 13.979 -5.389 1.00 0.00 O ATOM 654 CB SER A 46 7.942 16.480 -4.119 1.00 0.00 C ATOM 655 OG SER A 46 8.499 17.783 -4.135 1.00 0.00 O ATOM 0 H SER A 46 5.285 16.327 -4.630 1.00 0.00 H new ATOM 0 HA SER A 46 7.743 16.663 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.246 16.389 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.731 15.746 -3.956 1.00 0.00 H new ATOM 0 HG SER A 46 8.600 18.107 -3.216 1.00 0.00 H new ATOM 661 N LYS A 47 8.315 14.169 -6.239 1.00 0.00 N ATOM 662 CA LYS A 47 8.443 12.747 -6.535 1.00 0.00 C ATOM 663 C LYS A 47 8.598 11.937 -5.252 1.00 0.00 C ATOM 664 O LYS A 47 9.373 12.301 -4.367 1.00 0.00 O ATOM 665 CB LYS A 47 9.642 12.502 -7.453 1.00 0.00 C ATOM 666 CG LYS A 47 10.980 12.809 -6.803 1.00 0.00 C ATOM 667 CD LYS A 47 12.082 12.958 -7.838 1.00 0.00 C ATOM 668 CE LYS A 47 13.448 13.087 -7.182 1.00 0.00 C ATOM 669 NZ LYS A 47 14.401 13.853 -8.032 1.00 0.00 N ATOM 0 H LYS A 47 9.131 14.727 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 47 7.534 12.423 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.635 11.461 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.534 13.114 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.900 13.727 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.239 12.011 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.077 12.095 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.888 13.836 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.342 13.583 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.853 12.094 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.320 13.919 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.522 13.366 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.027 14.809 -8.197 1.00 0.00 H new ATOM 683 N ILE A 48 7.859 10.836 -5.159 1.00 0.00 N ATOM 684 CA ILE A 48 7.918 9.974 -3.985 1.00 0.00 C ATOM 685 C ILE A 48 9.299 9.348 -3.831 1.00 0.00 C ATOM 686 O ILE A 48 9.666 8.440 -4.577 1.00 0.00 O ATOM 687 CB ILE A 48 6.863 8.854 -4.056 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.454 9.449 -4.065 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.032 7.893 -2.888 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.435 8.581 -4.769 1.00 0.00 C ATOM 0 H ILE A 48 7.213 10.520 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 48 7.710 10.604 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 48 7.007 8.298 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.131 9.613 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.484 10.425 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.279 7.107 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.026 7.447 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.912 8.435 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.459 9.066 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.734 8.438 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.376 7.613 -4.272 1.00 0.00 H new ATOM 702 N GLN A 49 10.061 9.838 -2.858 1.00 0.00 N ATOM 703 CA GLN A 49 11.402 9.325 -2.606 1.00 0.00 C ATOM 704 C GLN A 49 11.412 7.800 -2.614 1.00 0.00 C ATOM 705 O GLN A 49 11.923 7.178 -3.544 1.00 0.00 O ATOM 706 CB GLN A 49 11.926 9.843 -1.266 1.00 0.00 C ATOM 707 CG GLN A 49 12.095 11.353 -1.221 1.00 0.00 C ATOM 708 CD GLN A 49 13.182 11.847 -2.155 1.00 0.00 C ATOM 709 OE1 GLN A 49 14.064 11.086 -2.557 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.126 13.126 -2.507 1.00 0.00 N ATOM 0 H GLN A 49 9.772 10.589 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 49 12.055 9.679 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.240 9.539 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.886 9.372 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.150 11.828 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.331 11.658 -0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.378 13.721 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.831 13.514 -3.134 1.00 0.00 H new ATOM 719 N ASN A 50 10.844 7.204 -1.571 1.00 0.00 N ATOM 720 CA ASN A 50 10.788 5.751 -1.458 1.00 0.00 C ATOM 721 C ASN A 50 9.495 5.307 -0.781 1.00 0.00 C ATOM 722 O ASN A 50 8.692 6.135 -0.349 1.00 0.00 O ATOM 723 CB ASN A 50 11.993 5.234 -0.669 1.00 0.00 C ATOM 724 CG ASN A 50 12.446 6.210 0.400 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.634 6.508 0.519 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.498 6.711 1.184 1.00 0.00 N ATOM 0 H ASN A 50 10.416 7.704 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 50 10.813 5.332 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.738 4.282 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.818 5.042 -1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.743 7.372 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.525 6.435 1.048 1.00 0.00 H new ATOM 733 N PHE A 51 9.299 3.996 -0.692 1.00 0.00 N ATOM 734 CA PHE A 51 8.104 3.441 -0.069 1.00 0.00 C ATOM 735 C PHE A 51 8.380 3.040 1.377 1.00 0.00 C ATOM 736 O PHE A 51 9.522 2.773 1.751 1.00 0.00 O ATOM 737 CB PHE A 51 7.605 2.230 -0.860 1.00 0.00 C ATOM 738 CG PHE A 51 6.918 2.594 -2.144 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.787 3.395 -2.137 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.402 2.136 -3.359 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.152 3.731 -3.318 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.771 2.469 -4.543 1.00 0.00 C ATOM 743 CZ PHE A 51 5.645 3.269 -4.522 1.00 0.00 C ATOM 0 H PHE A 51 9.954 3.297 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 51 7.333 4.211 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.450 1.578 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.916 1.659 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.397 3.761 -1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.283 1.511 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.271 4.355 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.158 2.104 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.151 3.533 -5.446 1.00 0.00 H new ATOM 753 N VAL A 52 7.326 3.000 2.186 1.00 0.00 N ATOM 754 CA VAL A 52 7.454 2.631 3.591 1.00 0.00 C ATOM 755 C VAL A 52 6.391 1.614 3.991 1.00 0.00 C ATOM 756 O VAL A 52 5.252 1.974 4.288 1.00 0.00 O ATOM 757 CB VAL A 52 7.340 3.864 4.507 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.624 3.483 5.952 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.284 4.962 4.042 1.00 0.00 C ATOM 0 H VAL A 52 6.374 3.219 1.893 1.00 0.00 H new ATOM 0 HA VAL A 52 8.442 2.187 3.713 1.00 0.00 H new ATOM 0 HB VAL A 52 6.320 4.245 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.539 4.367 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.904 2.732 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.633 3.077 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.190 5.825 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.310 4.595 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.029 5.253 3.023 1.00 0.00 H new ATOM 769 N LEU A 53 6.771 0.341 3.997 1.00 0.00 N ATOM 770 CA LEU A 53 5.851 -0.731 4.361 1.00 0.00 C ATOM 771 C LEU A 53 5.960 -1.060 5.847 1.00 0.00 C ATOM 772 O LEU A 53 7.006 -0.858 6.461 1.00 0.00 O ATOM 773 CB LEU A 53 6.137 -1.981 3.528 1.00 0.00 C ATOM 774 CG LEU A 53 5.273 -3.205 3.835 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.853 -2.995 3.333 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.880 -4.455 3.216 1.00 0.00 C ATOM 0 H LEU A 53 7.710 0.026 3.754 1.00 0.00 H new ATOM 0 HA LEU A 53 4.836 -0.391 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.012 -1.728 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.183 -2.255 3.668 1.00 0.00 H new ATOM 0 HG LEU A 53 5.238 -3.340 4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.253 -3.876 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.419 -2.124 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.868 -2.834 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.252 -5.316 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.946 -4.331 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.878 -4.615 3.624 1.00 0.00 H new ATOM 788 N GLU A 54 4.871 -1.569 6.416 1.00 0.00 N ATOM 789 CA GLU A 54 4.846 -1.928 7.829 1.00 0.00 C ATOM 790 C GLU A 54 3.898 -3.097 8.077 1.00 0.00 C ATOM 791 O GLU A 54 2.935 -3.297 7.336 1.00 0.00 O ATOM 792 CB GLU A 54 4.422 -0.725 8.675 1.00 0.00 C ATOM 793 CG GLU A 54 5.500 0.338 8.805 1.00 0.00 C ATOM 794 CD GLU A 54 4.969 1.641 9.371 1.00 0.00 C ATOM 795 OE1 GLU A 54 4.226 1.592 10.374 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.296 2.708 8.813 1.00 0.00 O ATOM 0 H GLU A 54 3.996 -1.742 5.921 1.00 0.00 H new ATOM 0 HA GLU A 54 5.852 -2.231 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.532 -0.276 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.143 -1.071 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.297 -0.035 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.941 0.524 7.826 1.00 0.00 H new ATOM 803 N TRP A 55 4.178 -3.867 9.122 1.00 0.00 N ATOM 804 CA TRP A 55 3.351 -5.017 9.468 1.00 0.00 C ATOM 805 C TRP A 55 3.484 -5.359 10.948 1.00 0.00 C ATOM 806 O TRP A 55 4.475 -5.008 11.588 1.00 0.00 O ATOM 807 CB TRP A 55 3.740 -6.226 8.616 1.00 0.00 C ATOM 808 CG TRP A 55 5.035 -6.855 9.034 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.152 -6.210 9.482 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.345 -8.253 9.042 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.139 -7.123 9.767 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.668 -8.383 9.507 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.633 -9.407 8.703 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.292 -9.621 9.639 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.254 -10.635 8.835 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.572 -10.734 9.301 1.00 0.00 C ATOM 0 H TRP A 55 4.972 -3.716 9.745 1.00 0.00 H new ATOM 0 HA TRP A 55 2.312 -4.758 9.266 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.947 -6.972 8.673 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.814 -5.918 7.573 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.246 -5.140 9.596 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.071 -6.899 10.116 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.616 -9.341 8.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.308 -9.700 9.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.714 -11.533 8.575 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.028 -11.708 9.395 1.00 0.00 H new ATOM 827 N ASP A 56 2.481 -6.045 11.485 1.00 0.00 N ATOM 828 CA ASP A 56 2.488 -6.435 12.890 1.00 0.00 C ATOM 829 C ASP A 56 3.171 -7.786 13.075 1.00 0.00 C ATOM 830 O ASP A 56 2.802 -8.563 13.955 1.00 0.00 O ATOM 831 CB ASP A 56 1.059 -6.493 13.432 1.00 0.00 C ATOM 832 CG ASP A 56 0.154 -7.367 12.585 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.677 -8.249 11.873 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.078 -7.168 12.635 1.00 0.00 O ATOM 0 H ASP A 56 1.653 -6.342 10.969 1.00 0.00 H new ATOM 0 HA ASP A 56 3.049 -5.685 13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.076 -6.874 14.453 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.649 -5.484 13.475 1.00 0.00 H new ATOM 839 N GLU A 57 4.168 -8.060 12.239 1.00 0.00 N ATOM 840 CA GLU A 57 4.900 -9.319 12.311 1.00 0.00 C ATOM 841 C GLU A 57 3.959 -10.479 12.623 1.00 0.00 C ATOM 842 O GLU A 57 4.357 -11.466 13.239 1.00 0.00 O ATOM 843 CB GLU A 57 5.996 -9.236 13.375 1.00 0.00 C ATOM 844 CG GLU A 57 7.263 -8.550 12.892 1.00 0.00 C ATOM 845 CD GLU A 57 8.443 -8.785 13.816 1.00 0.00 C ATOM 846 OE1 GLU A 57 9.011 -9.897 13.781 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.797 -7.858 14.573 1.00 0.00 O ATOM 0 H GLU A 57 4.487 -7.428 11.505 1.00 0.00 H new ATOM 0 HA GLU A 57 5.360 -9.499 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.610 -8.699 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.243 -10.244 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.510 -8.912 11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.081 -7.479 12.806 1.00 0.00 H new ATOM 854 N GLY A 58 2.708 -10.351 12.192 1.00 0.00 N ATOM 855 CA GLY A 58 1.729 -11.394 12.434 1.00 0.00 C ATOM 856 C GLY A 58 1.711 -11.847 13.881 1.00 0.00 C ATOM 857 O GLY A 58 1.694 -13.045 14.164 1.00 0.00 O ATOM 0 H GLY A 58 2.355 -9.543 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.739 -11.030 12.158 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.946 -12.248 11.792 1.00 0.00 H new ATOM 861 N LYS A 59 1.717 -10.888 14.800 1.00 0.00 N ATOM 862 CA LYS A 59 1.702 -11.193 16.226 1.00 0.00 C ATOM 863 C LYS A 59 0.283 -11.124 16.781 1.00 0.00 C ATOM 864 O LYS A 59 -0.208 -12.082 17.376 1.00 0.00 O ATOM 865 CB LYS A 59 2.606 -10.220 16.986 1.00 0.00 C ATOM 866 CG LYS A 59 4.088 -10.499 16.803 1.00 0.00 C ATOM 867 CD LYS A 59 4.942 -9.411 17.433 1.00 0.00 C ATOM 868 CE LYS A 59 6.426 -9.695 17.257 1.00 0.00 C ATOM 869 NZ LYS A 59 7.264 -8.524 17.638 1.00 0.00 N ATOM 0 H LYS A 59 1.732 -9.892 14.583 1.00 0.00 H new ATOM 0 HA LYS A 59 2.077 -12.208 16.360 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.392 -9.204 16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.364 -10.266 18.048 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.336 -11.462 17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.317 -10.573 15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.699 -8.449 16.982 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.709 -9.333 18.495 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.706 -10.555 17.865 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.624 -9.961 16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.269 -8.758 17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.015 -7.710 17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.094 -8.286 18.636 1.00 0.00 H new ATOM 883 N GLY A 60 -0.371 -9.983 16.583 1.00 0.00 N ATOM 884 CA GLY A 60 -1.728 -9.812 17.069 1.00 0.00 C ATOM 885 C GLY A 60 -1.804 -8.873 18.257 1.00 0.00 C ATOM 886 O GLY A 60 -2.506 -9.147 19.229 1.00 0.00 O ATOM 0 H GLY A 60 0.015 -9.175 16.095 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.353 -9.426 16.264 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.135 -10.783 17.351 1.00 0.00 H new ATOM 890 N ASN A 61 -1.076 -7.763 18.179 1.00 0.00 N ATOM 891 CA ASN A 61 -1.062 -6.782 19.257 1.00 0.00 C ATOM 892 C ASN A 61 -1.554 -5.425 18.764 1.00 0.00 C ATOM 893 O ASN A 61 -2.316 -4.742 19.448 1.00 0.00 O ATOM 894 CB ASN A 61 0.349 -6.646 19.834 1.00 0.00 C ATOM 895 CG ASN A 61 1.424 -6.863 18.787 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.408 -7.858 18.062 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.365 -5.930 18.703 1.00 0.00 N ATOM 0 H ASN A 61 -0.489 -7.521 17.381 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.735 -7.131 20.040 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.466 -5.654 20.271 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.480 -7.367 20.641 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.114 -6.022 18.017 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.339 -5.122 19.324 1.00 0.00 H new ATOM 904 N GLY A 62 -1.114 -5.040 17.570 1.00 0.00 N ATOM 905 CA GLY A 62 -1.520 -3.766 17.004 1.00 0.00 C ATOM 906 C GLY A 62 -0.369 -2.785 16.898 1.00 0.00 C ATOM 907 O GLY A 62 -0.568 -1.574 16.987 1.00 0.00 O ATOM 0 H GLY A 62 -0.484 -5.587 16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.945 -3.931 16.014 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.307 -3.332 17.621 1.00 0.00 H new ATOM 911 N GLU A 63 0.837 -3.310 16.709 1.00 0.00 N ATOM 912 CA GLU A 63 2.025 -2.471 16.594 1.00 0.00 C ATOM 913 C GLU A 63 2.697 -2.664 15.238 1.00 0.00 C ATOM 914 O GLU A 63 3.346 -3.681 14.993 1.00 0.00 O ATOM 915 CB GLU A 63 3.014 -2.791 17.716 1.00 0.00 C ATOM 916 CG GLU A 63 2.603 -2.230 19.067 1.00 0.00 C ATOM 917 CD GLU A 63 3.243 -2.971 20.226 1.00 0.00 C ATOM 918 OE1 GLU A 63 4.369 -3.482 20.053 1.00 0.00 O ATOM 919 OE2 GLU A 63 2.617 -3.041 21.304 1.00 0.00 O ATOM 0 H GLU A 63 1.018 -4.311 16.632 1.00 0.00 H new ATOM 0 HA GLU A 63 1.713 -1.430 16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.120 -3.873 17.798 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.994 -2.394 17.450 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.878 -1.177 19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.518 -2.281 19.163 1.00 0.00 H new ATOM 926 N PHE A 64 2.538 -1.680 14.359 1.00 0.00 N ATOM 927 CA PHE A 64 3.128 -1.741 13.027 1.00 0.00 C ATOM 928 C PHE A 64 4.539 -1.160 13.030 1.00 0.00 C ATOM 929 O PHE A 64 4.770 -0.064 13.542 1.00 0.00 O ATOM 930 CB PHE A 64 2.255 -0.983 12.024 1.00 0.00 C ATOM 931 CG PHE A 64 1.002 -1.720 11.644 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.004 -1.927 12.574 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.830 -2.203 10.358 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.158 -2.605 12.227 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.322 -2.882 10.005 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.317 -3.081 10.941 1.00 0.00 C ATOM 0 H PHE A 64 2.005 -0.830 14.545 1.00 0.00 H new ATOM 0 HA PHE A 64 3.185 -2.788 12.730 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.984 -0.016 12.448 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.838 -0.785 11.124 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.115 -1.555 13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.605 -2.048 9.622 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.934 -2.762 12.961 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.443 -3.256 8.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.219 -3.609 10.667 1.00 0.00 H new ATOM 946 N CYS A 65 5.479 -1.903 12.456 1.00 0.00 N ATOM 947 CA CYS A 65 6.868 -1.463 12.393 1.00 0.00 C ATOM 948 C CYS A 65 7.429 -1.633 10.985 1.00 0.00 C ATOM 949 O CYS A 65 7.123 -2.608 10.299 1.00 0.00 O ATOM 950 CB CYS A 65 7.719 -2.249 13.392 1.00 0.00 C ATOM 951 SG CYS A 65 7.176 -2.089 15.110 1.00 0.00 S ATOM 0 H CYS A 65 5.305 -2.812 12.028 1.00 0.00 H new ATOM 0 HA CYS A 65 6.900 -0.405 12.652 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.705 -3.303 13.114 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.753 -1.913 13.316 1.00 0.00 H new ATOM 0 HG CYS A 65 7.955 -2.790 15.879 1.00 0.00 H new ATOM 957 N GLN A 66 8.250 -0.678 10.561 1.00 0.00 N ATOM 958 CA GLN A 66 8.851 -0.722 9.233 1.00 0.00 C ATOM 959 C GLN A 66 9.269 -2.143 8.871 1.00 0.00 C ATOM 960 O GLN A 66 9.905 -2.835 9.667 1.00 0.00 O ATOM 961 CB GLN A 66 10.062 0.210 9.168 1.00 0.00 C ATOM 962 CG GLN A 66 10.317 0.781 7.782 1.00 0.00 C ATOM 963 CD GLN A 66 11.216 2.002 7.810 1.00 0.00 C ATOM 964 OE1 GLN A 66 10.770 3.109 8.111 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.491 1.805 7.494 1.00 0.00 N ATOM 0 H GLN A 66 8.514 0.135 11.117 1.00 0.00 H new ATOM 0 HA GLN A 66 8.104 -0.388 8.513 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.916 1.032 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.947 -0.335 9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.772 0.014 7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.365 1.046 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.818 0.870 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.144 2.589 7.495 1.00 0.00 H new ATOM 974 N CYS A 67 8.907 -2.572 7.668 1.00 0.00 N ATOM 975 CA CYS A 67 9.243 -3.912 7.200 1.00 0.00 C ATOM 976 C CYS A 67 10.086 -3.850 5.931 1.00 0.00 C ATOM 977 O CYS A 67 11.091 -4.550 5.806 1.00 0.00 O ATOM 978 CB CYS A 67 7.969 -4.719 6.943 1.00 0.00 C ATOM 979 SG CYS A 67 8.183 -6.507 7.108 1.00 0.00 S ATOM 0 H CYS A 67 8.380 -2.011 6.998 1.00 0.00 H new ATOM 0 HA CYS A 67 9.827 -4.406 7.977 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.197 -4.390 7.639 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.608 -4.498 5.939 1.00 0.00 H new ATOM 0 HG CYS A 67 7.521 -6.930 8.144 1.00 0.00 H new ATOM 985 N TYR A 68 9.668 -3.010 4.991 1.00 0.00 N ATOM 986 CA TYR A 68 10.382 -2.859 3.728 1.00 0.00 C ATOM 987 C TYR A 68 10.288 -1.425 3.217 1.00 0.00 C ATOM 988 O TYR A 68 9.197 -0.917 2.958 1.00 0.00 O ATOM 989 CB TYR A 68 9.821 -3.824 2.682 1.00 0.00 C ATOM 990 CG TYR A 68 10.579 -3.807 1.375 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.314 -2.847 0.406 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.563 -4.752 1.108 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.004 -2.829 -0.790 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.259 -4.741 -0.086 1.00 0.00 C ATOM 995 CZ TYR A 68 11.976 -3.777 -1.031 1.00 0.00 C ATOM 996 OH TYR A 68 12.666 -3.762 -2.221 1.00 0.00 O ATOM 0 H TYR A 68 8.838 -2.423 5.079 1.00 0.00 H new ATOM 0 HA TYR A 68 11.432 -3.094 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.836 -4.835 3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.778 -3.573 2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.555 -2.102 0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.787 -5.508 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.784 -2.076 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.020 -5.483 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 68 13.316 -4.496 -2.232 1.00 0.00 H new ATOM 1006 N MET A 69 11.440 -0.778 3.073 1.00 0.00 N ATOM 1007 CA MET A 69 11.488 0.597 2.590 1.00 0.00 C ATOM 1008 C MET A 69 12.432 0.722 1.398 1.00 0.00 C ATOM 1009 O MET A 69 13.641 0.540 1.530 1.00 0.00 O ATOM 1010 CB MET A 69 11.936 1.538 3.710 1.00 0.00 C ATOM 1011 CG MET A 69 12.373 2.907 3.216 1.00 0.00 C ATOM 1012 SD MET A 69 13.183 3.883 4.498 1.00 0.00 S ATOM 1013 CE MET A 69 12.929 5.542 3.871 1.00 0.00 C ATOM 0 H MET A 69 12.352 -1.183 3.284 1.00 0.00 H new ATOM 0 HA MET A 69 10.485 0.878 2.268 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.117 1.661 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.761 1.076 4.253 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.054 2.785 2.374 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.503 3.450 2.847 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.247 6.267 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.513 5.681 2.961 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.872 5.689 3.649 1.00 0.00 H new ATOM 1023 N GLY A 70 11.869 1.033 0.234 1.00 0.00 N ATOM 1024 CA GLY A 70 12.676 1.176 -0.964 1.00 0.00 C ATOM 1025 C GLY A 70 11.837 1.440 -2.199 1.00 0.00 C ATOM 1026 O GLY A 70 10.607 1.417 -2.139 1.00 0.00 O ATOM 0 H GLY A 70 10.870 1.188 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.383 1.994 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.263 0.270 -1.114 1.00 0.00 H new ATOM 1030 N SER A 71 12.502 1.692 -3.322 1.00 0.00 N ATOM 1031 CA SER A 71 11.810 1.967 -4.575 1.00 0.00 C ATOM 1032 C SER A 71 10.915 0.797 -4.970 1.00 0.00 C ATOM 1033 O SER A 71 9.716 0.966 -5.189 1.00 0.00 O ATOM 1034 CB SER A 71 12.820 2.249 -5.689 1.00 0.00 C ATOM 1035 OG SER A 71 12.195 2.871 -6.799 1.00 0.00 O ATOM 0 H SER A 71 13.520 1.711 -3.389 1.00 0.00 H new ATOM 0 HA SER A 71 11.184 2.848 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.615 2.890 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.286 1.316 -6.006 1.00 0.00 H new ATOM 0 HG SER A 71 12.862 3.042 -7.496 1.00 0.00 H new ATOM 1041 N GLN A 72 11.507 -0.390 -5.058 1.00 0.00 N ATOM 1042 CA GLN A 72 10.764 -1.589 -5.426 1.00 0.00 C ATOM 1043 C GLN A 72 9.408 -1.625 -4.729 1.00 0.00 C ATOM 1044 O GLN A 72 9.241 -1.070 -3.643 1.00 0.00 O ATOM 1045 CB GLN A 72 11.567 -2.842 -5.070 1.00 0.00 C ATOM 1046 CG GLN A 72 12.682 -3.149 -6.056 1.00 0.00 C ATOM 1047 CD GLN A 72 13.800 -3.964 -5.436 1.00 0.00 C ATOM 1048 OE1 GLN A 72 13.592 -5.100 -5.008 1.00 0.00 O ATOM 1049 NE2 GLN A 72 14.995 -3.388 -5.384 1.00 0.00 N ATOM 0 H GLN A 72 12.499 -0.547 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 72 10.598 -1.566 -6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.996 -2.718 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.891 -3.695 -5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.270 -3.692 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.089 -2.214 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.123 -2.445 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.785 -3.889 -4.978 1.00 0.00 H new ATOM 1058 N LYS A 73 8.441 -2.281 -5.361 1.00 0.00 N ATOM 1059 CA LYS A 73 7.098 -2.390 -4.802 1.00 0.00 C ATOM 1060 C LYS A 73 6.742 -3.847 -4.523 1.00 0.00 C ATOM 1061 O LYS A 73 5.575 -4.183 -4.325 1.00 0.00 O ATOM 1062 CB LYS A 73 6.073 -1.778 -5.760 1.00 0.00 C ATOM 1063 CG LYS A 73 6.392 -0.348 -6.158 1.00 0.00 C ATOM 1064 CD LYS A 73 7.204 -0.294 -7.441 1.00 0.00 C ATOM 1065 CE LYS A 73 6.307 -0.190 -8.665 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.909 -1.531 -9.177 1.00 0.00 N ATOM 0 H LYS A 73 8.562 -2.746 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 73 7.078 -1.842 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.016 -2.392 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.089 -1.805 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.465 0.209 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.946 0.139 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.879 0.561 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.824 -1.187 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.414 0.382 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.827 0.359 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.584 -1.444 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.725 -2.174 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.139 -1.912 -8.591 1.00 0.00 H new ATOM 1080 N GLN A 74 7.756 -4.707 -4.508 1.00 0.00 N ATOM 1081 CA GLN A 74 7.549 -6.127 -4.252 1.00 0.00 C ATOM 1082 C GLN A 74 8.491 -6.628 -3.162 1.00 0.00 C ATOM 1083 O GLN A 74 9.707 -6.455 -3.251 1.00 0.00 O ATOM 1084 CB GLN A 74 7.759 -6.934 -5.534 1.00 0.00 C ATOM 1085 CG GLN A 74 7.676 -8.438 -5.328 1.00 0.00 C ATOM 1086 CD GLN A 74 8.441 -9.215 -6.381 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.665 -9.124 -6.468 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.720 -9.985 -7.188 1.00 0.00 N ATOM 0 H GLN A 74 8.728 -4.445 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 74 6.523 -6.262 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.011 -6.635 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.734 -6.687 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.068 -8.688 -4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.630 -8.746 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.707 -10.030 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.180 -10.532 -7.916 1.00 0.00 H new ATOM 1097 N PHE A 75 7.922 -7.248 -2.134 1.00 0.00 N ATOM 1098 CA PHE A 75 8.712 -7.772 -1.025 1.00 0.00 C ATOM 1099 C PHE A 75 8.168 -9.119 -0.560 1.00 0.00 C ATOM 1100 O PHE A 75 6.960 -9.292 -0.396 1.00 0.00 O ATOM 1101 CB PHE A 75 8.716 -6.781 0.140 1.00 0.00 C ATOM 1102 CG PHE A 75 9.363 -7.319 1.383 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.543 -8.042 1.308 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.793 -7.103 2.627 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.140 -8.540 2.451 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.386 -7.597 3.773 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.562 -8.316 3.685 1.00 0.00 C ATOM 0 H PHE A 75 6.917 -7.400 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 75 9.735 -7.914 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.236 -5.874 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.689 -6.497 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.001 -8.218 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.874 -6.541 2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.058 -9.104 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.931 -7.421 4.736 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.028 -8.702 4.579 1.00 0.00 H new ATOM 1117 N LYS A 76 9.068 -10.073 -0.349 1.00 0.00 N ATOM 1118 CA LYS A 76 8.682 -11.406 0.099 1.00 0.00 C ATOM 1119 C LYS A 76 9.192 -11.675 1.511 1.00 0.00 C ATOM 1120 O LYS A 76 10.385 -11.899 1.718 1.00 0.00 O ATOM 1121 CB LYS A 76 9.224 -12.466 -0.862 1.00 0.00 C ATOM 1122 CG LYS A 76 9.202 -13.873 -0.290 1.00 0.00 C ATOM 1123 CD LYS A 76 9.424 -14.918 -1.371 1.00 0.00 C ATOM 1124 CE LYS A 76 9.933 -16.227 -0.785 1.00 0.00 C ATOM 1125 NZ LYS A 76 11.421 -16.283 -0.762 1.00 0.00 N ATOM 0 H LYS A 76 10.072 -9.948 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 76 7.593 -11.457 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.637 -12.447 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.248 -12.209 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.974 -13.968 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.245 -14.053 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.490 -15.096 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.141 -14.542 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.549 -16.345 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.547 -17.061 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.728 -17.190 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.787 -16.196 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.789 -15.502 -0.182 1.00 0.00 H new ATOM 1139 N ILE A 77 8.281 -11.653 2.478 1.00 0.00 N ATOM 1140 CA ILE A 77 8.639 -11.898 3.870 1.00 0.00 C ATOM 1141 C ILE A 77 8.710 -13.392 4.165 1.00 0.00 C ATOM 1142 O ILE A 77 7.695 -14.089 4.147 1.00 0.00 O ATOM 1143 CB ILE A 77 7.632 -11.243 4.834 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.643 -9.722 4.661 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.954 -11.620 6.272 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.314 -9.070 4.969 1.00 0.00 C ATOM 0 H ILE A 77 7.290 -11.468 2.323 1.00 0.00 H new ATOM 0 HA ILE A 77 9.621 -11.452 4.026 1.00 0.00 H new ATOM 0 HB ILE A 77 6.633 -11.610 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.407 -9.296 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.927 -9.483 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.234 -11.150 6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.901 -12.703 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.958 -11.278 6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.395 -7.993 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.550 -9.468 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.037 -9.278 6.003 1.00 0.00 H new ATOM 1158 N THR A 78 9.916 -13.879 4.439 1.00 0.00 N ATOM 1159 CA THR A 78 10.120 -15.291 4.739 1.00 0.00 C ATOM 1160 C THR A 78 10.241 -15.522 6.241 1.00 0.00 C ATOM 1161 O THR A 78 10.089 -14.595 7.036 1.00 0.00 O ATOM 1162 CB THR A 78 11.382 -15.836 4.044 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.512 -15.020 4.370 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.195 -15.874 2.535 1.00 0.00 C ATOM 0 H THR A 78 10.767 -13.316 4.459 1.00 0.00 H new ATOM 0 HA THR A 78 9.247 -15.824 4.361 1.00 0.00 H new ATOM 0 HB THR A 78 11.555 -16.852 4.398 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.310 -15.374 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.099 -16.262 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.352 -16.520 2.289 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.999 -14.867 2.167 1.00 0.00 H new ATOM 1172 N LYS A 79 10.516 -16.764 6.623 1.00 0.00 N ATOM 1173 CA LYS A 79 10.659 -17.118 8.031 1.00 0.00 C ATOM 1174 C LYS A 79 9.333 -16.963 8.768 1.00 0.00 C ATOM 1175 O LYS A 79 9.297 -16.506 9.912 1.00 0.00 O ATOM 1176 CB LYS A 79 11.728 -16.244 8.691 1.00 0.00 C ATOM 1177 CG LYS A 79 13.033 -16.189 7.916 1.00 0.00 C ATOM 1178 CD LYS A 79 13.988 -17.287 8.355 1.00 0.00 C ATOM 1179 CE LYS A 79 13.801 -18.551 7.530 1.00 0.00 C ATOM 1180 NZ LYS A 79 14.137 -19.775 8.308 1.00 0.00 N ATOM 0 H LYS A 79 10.644 -17.543 5.977 1.00 0.00 H new ATOM 0 HA LYS A 79 10.966 -18.162 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.339 -15.232 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.926 -16.622 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.829 -16.288 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.503 -15.217 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.016 -16.937 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.826 -17.512 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.768 -18.611 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.430 -18.501 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.997 -20.615 7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.130 -19.730 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.519 -19.836 9.143 1.00 0.00 H new ATOM 1194 N LEU A 80 8.246 -17.347 8.109 1.00 0.00 N ATOM 1195 CA LEU A 80 6.917 -17.252 8.704 1.00 0.00 C ATOM 1196 C LEU A 80 6.335 -18.639 8.960 1.00 0.00 C ATOM 1197 O LEU A 80 7.004 -19.652 8.756 1.00 0.00 O ATOM 1198 CB LEU A 80 5.984 -16.457 7.790 1.00 0.00 C ATOM 1199 CG LEU A 80 6.461 -15.058 7.396 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.497 -14.424 6.406 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.615 -14.181 8.630 1.00 0.00 C ATOM 0 H LEU A 80 8.258 -17.727 7.163 1.00 0.00 H new ATOM 0 HA LEU A 80 7.009 -16.734 9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.822 -17.034 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.017 -16.364 8.284 1.00 0.00 H new ATOM 0 HG LEU A 80 7.435 -15.149 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.853 -13.429 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.437 -15.042 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.509 -14.345 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.955 -13.189 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.655 -14.097 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.346 -14.627 9.305 1.00 0.00 H new ATOM 1213 N SER A 81 5.085 -18.676 9.409 1.00 0.00 N ATOM 1214 CA SER A 81 4.413 -19.938 9.695 1.00 0.00 C ATOM 1215 C SER A 81 3.024 -19.970 9.065 1.00 0.00 C ATOM 1216 O SER A 81 2.407 -18.936 8.809 1.00 0.00 O ATOM 1217 CB SER A 81 4.304 -20.151 11.206 1.00 0.00 C ATOM 1218 OG SER A 81 5.554 -20.528 11.759 1.00 0.00 O ATOM 0 H SER A 81 4.517 -17.847 9.583 1.00 0.00 H new ATOM 0 HA SER A 81 5.007 -20.743 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.954 -19.235 11.681 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.563 -20.922 11.415 1.00 0.00 H new ATOM 0 HG SER A 81 5.459 -20.657 12.726 1.00 0.00 H new ATOM 1224 N PRO A 82 2.518 -21.186 8.808 1.00 0.00 N ATOM 1225 CA PRO A 82 1.197 -21.383 8.205 1.00 0.00 C ATOM 1226 C PRO A 82 0.065 -21.005 9.154 1.00 0.00 C ATOM 1227 O PRO A 82 0.163 -21.206 10.364 1.00 0.00 O ATOM 1228 CB PRO A 82 1.164 -22.883 7.905 1.00 0.00 C ATOM 1229 CG PRO A 82 2.117 -23.485 8.879 1.00 0.00 C ATOM 1230 CD PRO A 82 3.198 -22.461 9.087 1.00 0.00 C ATOM 0 HA PRO A 82 1.053 -20.755 7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.160 -23.290 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.465 -23.088 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.617 -23.722 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.531 -24.417 8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.591 -22.493 10.103 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.040 -22.623 8.414 1.00 0.00 H new ATOM 1238 N ALA A 83 -1.010 -20.456 8.597 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.162 -20.053 9.394 1.00 0.00 C ATOM 1240 C ALA A 83 -1.805 -18.905 10.332 1.00 0.00 C ATOM 1241 O ALA A 83 -2.240 -18.874 11.483 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.697 -21.237 10.185 1.00 0.00 C ATOM 0 H ALA A 83 -1.107 -20.280 7.597 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.939 -19.704 8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.557 -20.921 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.999 -22.027 9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.919 -21.612 10.850 1.00 0.00 H new ATOM 1248 N MET A 84 -1.010 -17.964 9.834 1.00 0.00 N ATOM 1249 CA MET A 84 -0.596 -16.814 10.629 1.00 0.00 C ATOM 1250 C MET A 84 -1.124 -15.516 10.024 1.00 0.00 C ATOM 1251 O MET A 84 -0.558 -14.992 9.066 1.00 0.00 O ATOM 1252 CB MET A 84 0.930 -16.760 10.730 1.00 0.00 C ATOM 1253 CG MET A 84 1.446 -15.547 11.487 1.00 0.00 C ATOM 1254 SD MET A 84 3.219 -15.301 11.278 1.00 0.00 S ATOM 1255 CE MET A 84 3.238 -14.038 10.008 1.00 0.00 C ATOM 0 H MET A 84 -0.640 -17.975 8.884 1.00 0.00 H new ATOM 0 HA MET A 84 -1.015 -16.925 11.629 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.286 -17.664 11.224 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.353 -16.758 9.725 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.917 -14.658 11.145 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.222 -15.663 12.547 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.557 -14.477 9.063 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.237 -13.621 9.895 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.931 -13.246 10.293 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.212 -15.004 10.590 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.798 -13.773 10.093 1.00 0.00 C ATOM 1267 C GLY A 85 -1.940 -12.560 10.396 1.00 0.00 C ATOM 1268 O GLY A 85 -1.691 -12.243 11.559 1.00 0.00 O ATOM 0 H GLY A 85 -2.698 -15.420 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.943 -13.852 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.784 -13.638 10.538 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.487 -11.881 9.347 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.651 -10.697 9.507 1.00 0.00 C ATOM 1274 C CYS A 86 -1.201 -9.530 8.694 1.00 0.00 C ATOM 1275 O CYS A 86 -1.609 -9.696 7.545 1.00 0.00 O ATOM 1276 CB CYS A 86 0.786 -11.001 9.078 1.00 0.00 C ATOM 1277 SG CYS A 86 0.912 -12.002 7.578 1.00 0.00 S ATOM 0 H CYS A 86 -1.685 -12.130 8.378 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.657 -10.417 10.560 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.313 -10.060 8.920 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.295 -11.519 9.891 1.00 0.00 H new ATOM 0 HG CYS A 86 1.080 -11.224 6.550 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.210 -8.347 9.299 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.710 -7.150 8.633 1.00 0.00 C ATOM 1285 C LYS A 87 -0.564 -6.348 8.023 1.00 0.00 C ATOM 1286 O LYS A 87 0.571 -6.410 8.496 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.487 -6.278 9.622 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.873 -6.809 9.942 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.757 -5.732 10.549 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.986 -6.330 11.216 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.994 -5.288 11.557 1.00 0.00 N ATOM 0 H LYS A 87 -0.876 -8.192 10.250 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.379 -7.463 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.916 -6.195 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.578 -5.272 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.336 -7.191 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.792 -7.647 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.186 -5.161 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.067 -5.034 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.437 -7.068 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.687 -6.857 12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.816 -5.736 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.572 -4.598 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.298 -4.802 10.689 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.870 -5.595 6.972 1.00 0.00 N ATOM 1306 CA PHE A 88 0.134 -4.780 6.298 1.00 0.00 C ATOM 1307 C PHE A 88 -0.440 -3.421 5.909 1.00 0.00 C ATOM 1308 O PHE A 88 -1.644 -3.189 6.020 1.00 0.00 O ATOM 1309 CB PHE A 88 0.656 -5.501 5.053 1.00 0.00 C ATOM 1310 CG PHE A 88 1.152 -6.891 5.330 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.263 -7.946 5.460 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.508 -7.144 5.460 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.716 -9.226 5.715 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.968 -8.422 5.714 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.070 -9.465 5.842 1.00 0.00 C ATOM 0 H PHE A 88 -1.805 -5.532 6.569 1.00 0.00 H new ATOM 0 HA PHE A 88 0.961 -4.621 6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.140 -5.549 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.465 -4.915 4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.797 -7.765 5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.214 -6.333 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.012 -10.039 5.815 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.028 -8.606 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.427 -10.465 6.041 1.00 0.00 H new ATOM 1325 N ARG A 89 0.431 -2.526 5.453 1.00 0.00 N ATOM 1326 CA ARG A 89 0.012 -1.189 5.049 1.00 0.00 C ATOM 1327 C ARG A 89 1.064 -0.535 4.159 1.00 0.00 C ATOM 1328 O ARG A 89 2.262 -0.608 4.438 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.243 -0.318 6.280 1.00 0.00 C ATOM 1330 CG ARG A 89 0.981 -0.138 7.163 1.00 0.00 C ATOM 1331 CD ARG A 89 0.731 0.885 8.261 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.231 0.404 9.248 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.899 1.202 10.073 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.711 2.514 10.029 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.758 0.689 10.945 1.00 0.00 N ATOM 0 H ARG A 89 1.431 -2.703 5.354 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.913 -1.282 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.593 0.662 5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.044 -0.763 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.252 -1.094 7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.827 0.180 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.672 1.121 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.363 1.810 7.817 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.399 -0.600 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.052 2.913 9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.225 3.124 10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.906 -0.320 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.270 1.303 11.578 1.00 0.00 H new ATOM 1349 N LEU A 90 0.610 0.103 3.086 1.00 0.00 N ATOM 1350 CA LEU A 90 1.512 0.770 2.153 1.00 0.00 C ATOM 1351 C LEU A 90 1.339 2.284 2.217 1.00 0.00 C ATOM 1352 O LEU A 90 0.217 2.790 2.247 1.00 0.00 O ATOM 1353 CB LEU A 90 1.260 0.276 0.728 1.00 0.00 C ATOM 1354 CG LEU A 90 2.154 0.876 -0.358 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.556 0.291 -0.280 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.552 0.639 -1.735 1.00 0.00 C ATOM 0 H LEU A 90 -0.377 0.173 2.840 1.00 0.00 H new ATOM 0 HA LEU A 90 2.535 0.527 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.382 -0.807 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.221 0.484 0.471 1.00 0.00 H new ATOM 0 HG LEU A 90 2.222 1.951 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.177 0.730 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.989 0.512 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.508 -0.789 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.201 1.073 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.454 -0.432 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.569 1.107 -1.788 1.00 0.00 H new ATOM 1368 N SER A 91 2.457 3.002 2.236 1.00 0.00 N ATOM 1369 CA SER A 91 2.429 4.459 2.297 1.00 0.00 C ATOM 1370 C SER A 91 3.602 5.058 1.526 1.00 0.00 C ATOM 1371 O SER A 91 4.718 4.542 1.573 1.00 0.00 O ATOM 1372 CB SER A 91 2.467 4.930 3.752 1.00 0.00 C ATOM 1373 OG SER A 91 3.770 4.805 4.295 1.00 0.00 O ATOM 0 H SER A 91 3.394 2.599 2.210 1.00 0.00 H new ATOM 0 HA SER A 91 1.502 4.800 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.144 5.969 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.765 4.345 4.345 1.00 0.00 H new ATOM 0 HG SER A 91 3.709 4.508 5.227 1.00 0.00 H new ATOM 1379 N ALA A 92 3.339 6.151 0.817 1.00 0.00 N ATOM 1380 CA ALA A 92 4.371 6.822 0.037 1.00 0.00 C ATOM 1381 C ALA A 92 4.859 8.083 0.741 1.00 0.00 C ATOM 1382 O ALA A 92 4.073 8.805 1.356 1.00 0.00 O ATOM 1383 CB ALA A 92 3.848 7.159 -1.352 1.00 0.00 C ATOM 0 H ALA A 92 2.420 6.590 0.767 1.00 0.00 H new ATOM 0 HA ALA A 92 5.217 6.142 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.629 7.660 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.556 6.242 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.983 7.817 -1.265 1.00 0.00 H new ATOM 1389 N ARG A 93 6.159 8.343 0.648 1.00 0.00 N ATOM 1390 CA ARG A 93 6.751 9.516 1.279 1.00 0.00 C ATOM 1391 C ARG A 93 7.605 10.296 0.283 1.00 0.00 C ATOM 1392 O ARG A 93 8.368 9.712 -0.485 1.00 0.00 O ATOM 1393 CB ARG A 93 7.601 9.102 2.481 1.00 0.00 C ATOM 1394 CG ARG A 93 8.460 10.226 3.037 1.00 0.00 C ATOM 1395 CD ARG A 93 9.638 9.686 3.833 1.00 0.00 C ATOM 1396 NE ARG A 93 10.541 10.749 4.263 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.511 10.574 5.153 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.703 9.384 5.704 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.293 11.591 5.493 1.00 0.00 N ATOM 0 H ARG A 93 6.822 7.757 0.141 1.00 0.00 H new ATOM 0 HA ARG A 93 5.941 10.161 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.945 8.734 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.246 8.273 2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.826 10.845 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.853 10.868 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.269 9.148 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.188 8.967 3.225 1.00 0.00 H new ATOM 0 HE ARG A 93 10.420 11.677 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.105 8.599 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.449 9.253 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.149 12.508 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.038 11.455 6.177 1.00 0.00 H new ATOM 1413 N ASN A 94 7.470 11.618 0.304 1.00 0.00 N ATOM 1414 CA ASN A 94 8.228 12.477 -0.598 1.00 0.00 C ATOM 1415 C ASN A 94 9.065 13.484 0.186 1.00 0.00 C ATOM 1416 O ASN A 94 9.035 13.507 1.417 1.00 0.00 O ATOM 1417 CB ASN A 94 7.283 13.214 -1.549 1.00 0.00 C ATOM 1418 CG ASN A 94 6.222 14.007 -0.810 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.356 14.284 0.382 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.160 14.375 -1.518 1.00 0.00 N ATOM 0 H ASN A 94 6.843 12.117 0.935 1.00 0.00 H new ATOM 0 HA ASN A 94 8.900 11.847 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.861 13.887 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.800 12.493 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.413 14.910 -1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.092 14.123 -2.504 1.00 0.00 H new ATOM 1427 N ASP A 95 9.811 14.314 -0.535 1.00 0.00 N ATOM 1428 CA ASP A 95 10.655 15.324 0.092 1.00 0.00 C ATOM 1429 C ASP A 95 9.935 15.982 1.265 1.00 0.00 C ATOM 1430 O ASP A 95 10.569 16.452 2.211 1.00 0.00 O ATOM 1431 CB ASP A 95 11.064 16.385 -0.932 1.00 0.00 C ATOM 1432 CG ASP A 95 10.023 17.477 -1.081 1.00 0.00 C ATOM 1433 OD1 ASP A 95 8.927 17.183 -1.603 1.00 0.00 O ATOM 1434 OD2 ASP A 95 10.304 18.624 -0.677 1.00 0.00 O ATOM 0 H ASP A 95 9.848 14.307 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 95 11.551 14.830 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.012 16.830 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.228 15.909 -1.899 1.00 0.00 H new ATOM 1439 N TYR A 96 8.609 16.013 1.196 1.00 0.00 N ATOM 1440 CA TYR A 96 7.803 16.617 2.251 1.00 0.00 C ATOM 1441 C TYR A 96 7.677 15.677 3.445 1.00 0.00 C ATOM 1442 O TYR A 96 8.137 15.985 4.544 1.00 0.00 O ATOM 1443 CB TYR A 96 6.414 16.973 1.719 1.00 0.00 C ATOM 1444 CG TYR A 96 6.439 17.667 0.376 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.434 18.586 0.066 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.469 17.404 -0.583 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.461 19.223 -1.160 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.489 18.035 -1.811 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.487 18.944 -2.095 1.00 0.00 C ATOM 1450 OH TYR A 96 6.509 19.576 -3.318 1.00 0.00 O ATOM 0 H TYR A 96 8.069 15.627 0.421 1.00 0.00 H new ATOM 0 HA TYR A 96 8.303 17.528 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.821 16.062 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.911 17.616 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.199 18.806 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.686 16.694 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.241 19.936 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.727 17.818 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 96 7.183 19.155 -3.892 1.00 0.00 H new ATOM 1460 N GLY A 97 7.049 14.526 3.222 1.00 0.00 N ATOM 1461 CA GLY A 97 6.873 13.557 4.287 1.00 0.00 C ATOM 1462 C GLY A 97 6.037 12.368 3.858 1.00 0.00 C ATOM 1463 O GLY A 97 5.574 12.304 2.719 1.00 0.00 O ATOM 0 H GLY A 97 6.659 14.248 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.850 13.208 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.398 14.042 5.140 1.00 0.00 H new ATOM 1467 N THR A 98 5.843 11.422 4.771 1.00 0.00 N ATOM 1468 CA THR A 98 5.059 10.228 4.481 1.00 0.00 C ATOM 1469 C THR A 98 3.565 10.529 4.514 1.00 0.00 C ATOM 1470 O THR A 98 3.076 11.191 5.430 1.00 0.00 O ATOM 1471 CB THR A 98 5.366 9.097 5.481 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.753 9.123 5.838 1.00 0.00 O ATOM 1473 CG2 THR A 98 5.014 7.741 4.889 1.00 0.00 C ATOM 0 H THR A 98 6.219 11.460 5.719 1.00 0.00 H new ATOM 0 HA THR A 98 5.339 9.903 3.479 1.00 0.00 H new ATOM 0 HB THR A 98 4.759 9.254 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.940 8.402 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.239 6.958 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.952 7.715 4.645 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.598 7.577 3.984 1.00 0.00 H new ATOM 1481 N SER A 99 2.845 10.038 3.511 1.00 0.00 N ATOM 1482 CA SER A 99 1.406 10.258 3.425 1.00 0.00 C ATOM 1483 C SER A 99 0.645 9.176 4.186 1.00 0.00 C ATOM 1484 O SER A 99 1.166 8.089 4.430 1.00 0.00 O ATOM 1485 CB SER A 99 0.959 10.278 1.962 1.00 0.00 C ATOM 1486 OG SER A 99 1.384 9.110 1.282 1.00 0.00 O ATOM 0 H SER A 99 3.234 9.486 2.747 1.00 0.00 H new ATOM 0 HA SER A 99 1.183 11.223 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.127 10.357 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.366 11.159 1.466 1.00 0.00 H new ATOM 0 HG SER A 99 2.361 9.048 1.318 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.594 9.484 4.558 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.408 8.529 5.287 1.00 0.00 C ATOM 1494 C GLY A 100 -1.165 7.101 4.843 1.00 0.00 C ATOM 1495 O GLY A 100 -0.795 6.854 3.695 1.00 0.00 O ATOM 0 H GLY A 100 -1.048 10.377 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.197 8.616 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.461 8.775 5.150 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.370 6.156 5.755 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.168 4.744 5.452 1.00 0.00 C ATOM 1501 C PHE A 101 -2.427 4.132 4.846 1.00 0.00 C ATOM 1502 O PHE A 101 -3.538 4.377 5.316 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.775 3.980 6.718 1.00 0.00 C ATOM 1504 CG PHE A 101 0.627 4.264 7.178 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.702 3.588 6.625 1.00 0.00 C ATOM 1506 CD2 PHE A 101 0.868 5.207 8.164 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.992 3.847 7.047 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.157 5.471 8.590 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.220 4.790 8.030 1.00 0.00 C ATOM 0 H PHE A 101 -1.676 6.343 6.710 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.361 4.667 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.470 4.236 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.879 2.911 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.530 2.850 5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.040 5.742 8.605 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.822 3.312 6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.332 6.208 9.359 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.228 4.994 8.360 1.00 0.00 H new ATOM 1519 N SER A 102 -2.245 3.334 3.798 1.00 0.00 N ATOM 1520 CA SER A 102 -3.367 2.690 3.124 1.00 0.00 C ATOM 1521 C SER A 102 -4.225 1.914 4.118 1.00 0.00 C ATOM 1522 O SER A 102 -3.935 1.885 5.313 1.00 0.00 O ATOM 1523 CB SER A 102 -2.859 1.750 2.029 1.00 0.00 C ATOM 1524 OG SER A 102 -2.007 0.753 2.567 1.00 0.00 O ATOM 0 H SER A 102 -1.332 3.118 3.398 1.00 0.00 H new ATOM 0 HA SER A 102 -3.981 3.468 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.705 1.279 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.321 2.323 1.274 1.00 0.00 H new ATOM 0 HG SER A 102 -1.953 -0.002 1.945 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.284 1.288 3.613 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.186 0.513 4.457 1.00 0.00 C ATOM 1532 C GLU A 103 -5.531 -0.794 4.897 1.00 0.00 C ATOM 1533 O GLU A 103 -5.073 -1.579 4.068 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.489 0.217 3.712 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.518 1.330 3.822 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.092 1.458 5.219 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.023 0.693 5.550 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -8.612 2.322 5.981 1.00 0.00 O ATOM 0 H GLU A 103 -5.538 1.302 2.625 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.410 1.105 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.265 0.043 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.920 -0.705 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.057 2.275 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.327 1.142 3.117 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.491 -1.018 6.207 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.891 -2.228 6.756 1.00 0.00 C ATOM 1547 C GLU A 104 -5.425 -3.470 6.048 1.00 0.00 C ATOM 1548 O GLU A 104 -6.634 -3.698 5.999 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.169 -2.324 8.258 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.420 -1.291 9.083 1.00 0.00 C ATOM 1551 CD GLU A 104 -4.664 -1.445 10.571 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.827 -1.301 11.001 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -3.690 -1.711 11.307 1.00 0.00 O ATOM 0 H GLU A 104 -5.867 -0.378 6.907 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.814 -2.175 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.239 -2.207 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.898 -3.321 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.352 -1.377 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.724 -0.292 8.770 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.515 -4.269 5.501 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.893 -5.488 4.795 1.00 0.00 C ATOM 1562 C VAL A 105 -4.514 -6.727 5.598 1.00 0.00 C ATOM 1563 O VAL A 105 -3.349 -6.922 5.947 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.227 -5.564 3.409 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -4.755 -4.464 2.501 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.714 -5.477 3.540 1.00 0.00 C ATOM 0 H VAL A 105 -3.511 -4.094 5.533 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.975 -5.458 4.668 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.476 -6.525 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.273 -4.534 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.833 -4.577 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.539 -3.492 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.259 -5.532 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.443 -4.532 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.354 -6.304 4.152 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.505 -7.563 5.889 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.276 -8.785 6.651 1.00 0.00 C ATOM 1578 C LEU A 106 -5.028 -9.969 5.721 1.00 0.00 C ATOM 1579 O LEU A 106 -5.890 -10.333 4.921 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.474 -9.077 7.557 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.383 -10.349 8.401 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.246 -10.244 9.405 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.703 -10.612 9.112 1.00 0.00 C ATOM 0 H LEU A 106 -6.475 -7.417 5.609 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.389 -8.638 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.612 -8.229 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.367 -9.140 6.935 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.177 -11.189 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.197 -11.158 9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.304 -10.104 8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.421 -9.394 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.620 -11.521 9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.939 -9.771 9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.496 -10.733 8.374 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.847 -10.565 5.833 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.485 -11.707 5.002 1.00 0.00 C ATOM 1597 C TYR A 107 -3.125 -12.915 5.862 1.00 0.00 C ATOM 1598 O TYR A 107 -2.566 -12.772 6.949 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.311 -11.349 4.089 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.714 -10.552 2.869 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.281 -11.174 1.764 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.527 -9.176 2.821 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.650 -10.450 0.647 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.894 -8.443 1.709 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.455 -9.085 0.624 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.821 -8.359 -0.486 1.00 0.00 O ATOM 0 H TYR A 107 -3.123 -10.276 6.491 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.348 -11.965 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.579 -10.778 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.819 -12.267 3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.436 -12.243 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.087 -8.671 3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.089 -10.950 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.743 -7.374 1.689 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.435 -7.460 -0.431 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.451 -14.103 5.366 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.164 -15.337 6.089 1.00 0.00 C ATOM 1618 C TYR A 108 -2.325 -16.285 5.238 1.00 0.00 C ATOM 1619 O TYR A 108 -2.754 -16.727 4.171 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.466 -16.024 6.504 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.947 -15.630 7.882 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.438 -14.354 8.129 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.909 -16.533 8.937 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.877 -13.989 9.387 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.347 -16.177 10.198 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.830 -14.904 10.418 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.267 -14.545 11.673 1.00 0.00 O ATOM 0 H TYR A 108 -3.914 -14.238 4.467 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.595 -15.080 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.241 -15.785 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.323 -17.104 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.477 -13.635 7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.531 -17.530 8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.255 -12.993 9.562 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.311 -16.892 11.007 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.167 -15.305 12.284 1.00 0.00 H new ATOM 1637 N THR A 109 -1.124 -16.594 5.717 1.00 0.00 N ATOM 1638 CA THR A 109 -0.222 -17.488 5.001 1.00 0.00 C ATOM 1639 C THR A 109 -0.982 -18.658 4.387 1.00 0.00 C ATOM 1640 O THR A 109 -2.086 -18.990 4.820 1.00 0.00 O ATOM 1641 CB THR A 109 0.879 -18.035 5.929 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.289 -18.709 7.046 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.777 -16.912 6.425 1.00 0.00 C ATOM 0 H THR A 109 -0.753 -16.238 6.598 1.00 0.00 H new ATOM 0 HA THR A 109 0.241 -16.902 4.207 1.00 0.00 H new ATOM 0 HB THR A 109 1.486 -18.739 5.359 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.933 -18.745 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.547 -17.323 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.248 -16.420 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.181 -16.187 6.979 1.00 0.00 H new ATOM 1651 N SER A 110 -0.383 -19.281 3.377 1.00 0.00 N ATOM 1652 CA SER A 110 -1.005 -20.414 2.701 1.00 0.00 C ATOM 1653 C SER A 110 -1.795 -21.269 3.688 1.00 0.00 C ATOM 1654 O SER A 110 -2.956 -21.599 3.450 1.00 0.00 O ATOM 1655 CB SER A 110 0.058 -21.267 2.007 1.00 0.00 C ATOM 1656 OG SER A 110 -0.539 -22.252 1.180 1.00 0.00 O ATOM 0 H SER A 110 0.532 -19.021 3.009 1.00 0.00 H new ATOM 0 HA SER A 110 -1.694 -20.025 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.707 -20.629 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.688 -21.749 2.755 1.00 0.00 H new ATOM 0 HG SER A 110 0.161 -22.783 0.746 1.00 0.00 H new ATOM 1662 N GLY A 111 -1.155 -21.623 4.799 1.00 0.00 N ATOM 1663 CA GLY A 111 -1.811 -22.436 5.806 1.00 0.00 C ATOM 1664 C GLY A 111 -1.907 -23.894 5.402 1.00 0.00 C ATOM 1665 O GLY A 111 -1.104 -24.378 4.603 1.00 0.00 O ATOM 0 H GLY A 111 -0.194 -21.361 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.263 -22.358 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.812 -22.046 5.988 1.00 0.00 H new ATOM 1669 N CYS A 112 -2.888 -24.597 5.956 1.00 0.00 N ATOM 1670 CA CYS A 112 -3.084 -26.010 5.651 1.00 0.00 C ATOM 1671 C CYS A 112 -3.534 -26.197 4.206 1.00 0.00 C ATOM 1672 O CYS A 112 -4.621 -25.764 3.824 1.00 0.00 O ATOM 1673 CB CYS A 112 -4.114 -26.621 6.603 1.00 0.00 C ATOM 1674 SG CYS A 112 -4.234 -28.422 6.502 1.00 0.00 S ATOM 0 H CYS A 112 -3.561 -24.212 6.619 1.00 0.00 H new ATOM 0 HA CYS A 112 -2.130 -26.521 5.784 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.859 -26.341 7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -5.092 -26.190 6.389 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.128 -28.845 7.345 1.00 0.00 H new ATOM 1680 N SER A 113 -2.690 -26.843 3.407 1.00 0.00 N ATOM 1681 CA SER A 113 -2.999 -27.082 2.003 1.00 0.00 C ATOM 1682 C SER A 113 -3.676 -28.437 1.819 1.00 0.00 C ATOM 1683 O SER A 113 -3.111 -29.477 2.153 1.00 0.00 O ATOM 1684 CB SER A 113 -1.724 -27.018 1.160 1.00 0.00 C ATOM 1685 OG SER A 113 -0.808 -28.029 1.543 1.00 0.00 O ATOM 0 H SER A 113 -1.787 -27.210 3.709 1.00 0.00 H new ATOM 0 HA SER A 113 -3.686 -26.304 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.975 -27.131 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.258 -26.039 1.273 1.00 0.00 H new ATOM 0 HG SER A 113 -1.296 -28.775 1.951 1.00 0.00 H new ATOM 1691 N GLY A 114 -4.894 -28.415 1.284 1.00 0.00 N ATOM 1692 CA GLY A 114 -5.629 -29.647 1.064 1.00 0.00 C ATOM 1693 C GLY A 114 -7.130 -29.437 1.083 1.00 0.00 C ATOM 1694 O GLY A 114 -7.651 -28.590 1.810 1.00 0.00 O ATOM 0 H GLY A 114 -5.384 -27.567 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -5.337 -30.074 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.357 -30.371 1.832 1.00 0.00 H new ATOM 1698 N PRO A 115 -7.852 -30.221 0.268 1.00 0.00 N ATOM 1699 CA PRO A 115 -9.312 -30.134 0.175 1.00 0.00 C ATOM 1700 C PRO A 115 -10.004 -30.642 1.436 1.00 0.00 C ATOM 1701 O PRO A 115 -9.356 -31.156 2.347 1.00 0.00 O ATOM 1702 CB PRO A 115 -9.646 -31.034 -1.017 1.00 0.00 C ATOM 1703 CG PRO A 115 -8.515 -32.002 -1.089 1.00 0.00 C ATOM 1704 CD PRO A 115 -7.297 -31.251 -0.626 1.00 0.00 C ATOM 0 HA PRO A 115 -9.652 -29.105 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -10.597 -31.546 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -9.732 -30.456 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -8.703 -32.869 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -8.382 -32.372 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -6.598 -31.903 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -6.756 -30.808 -1.462 1.00 0.00 H new ATOM 1712 N SER A 116 -11.324 -30.495 1.481 1.00 0.00 N ATOM 1713 CA SER A 116 -12.104 -30.935 2.631 1.00 0.00 C ATOM 1714 C SER A 116 -13.074 -32.045 2.238 1.00 0.00 C ATOM 1715 O SER A 116 -14.082 -31.798 1.576 1.00 0.00 O ATOM 1716 CB SER A 116 -12.875 -29.759 3.233 1.00 0.00 C ATOM 1717 OG SER A 116 -13.619 -30.164 4.369 1.00 0.00 O ATOM 0 H SER A 116 -11.876 -30.074 0.734 1.00 0.00 H new ATOM 0 HA SER A 116 -11.413 -31.327 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.178 -28.969 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.548 -29.340 2.485 1.00 0.00 H new ATOM 0 HG SER A 116 -14.101 -29.394 4.736 1.00 0.00 H new ATOM 1723 N SER A 117 -12.761 -33.270 2.650 1.00 0.00 N ATOM 1724 CA SER A 117 -13.601 -34.420 2.338 1.00 0.00 C ATOM 1725 C SER A 117 -14.586 -34.696 3.470 1.00 0.00 C ATOM 1726 O SER A 117 -15.777 -34.898 3.237 1.00 0.00 O ATOM 1727 CB SER A 117 -12.737 -35.656 2.085 1.00 0.00 C ATOM 1728 OG SER A 117 -13.533 -36.826 1.998 1.00 0.00 O ATOM 0 H SER A 117 -11.931 -33.491 3.201 1.00 0.00 H new ATOM 0 HA SER A 117 -14.167 -34.191 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.173 -35.526 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.010 -35.766 2.889 1.00 0.00 H new ATOM 0 HG SER A 117 -12.957 -37.602 1.834 1.00 0.00 H new ATOM 1734 N GLY A 118 -14.078 -34.703 4.699 1.00 0.00 N ATOM 1735 CA GLY A 118 -14.925 -34.956 5.850 1.00 0.00 C ATOM 1736 C GLY A 118 -15.012 -36.430 6.193 1.00 0.00 C ATOM 1737 O GLY A 118 -14.562 -37.280 5.426 1.00 0.00 O ATOM 0 H GLY A 118 -13.095 -34.538 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.538 -34.408 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.926 -34.572 5.652 1.00 0.00 H new TER 1741 GLY A 118