USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 719 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 90 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-1.9) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 SER OG : rot 71:sc= 0.862 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.02! C(o=-7.6!,f=-3.2!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.756 K(o=-0.63,f=-1.5) USER MOD Set 3.2: A 21 THR OG1 : rot -73:sc= 0.0644 USER MOD Set 3.3: A 31 THR OG1 : rot 180:sc= 0.0631 USER MOD Set 4.1: A 30 ASN : amide:sc= 1.05 X(o=2,f=1.8) USER MOD Set 4.2: A 32 SER OG : rot 7:sc= 0.994 USER MOD Set 5.1: A 7 THR OG1 : rot 3:sc= 0.823 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.12 K(o=-1.3,f=-3.6) USER MOD Single : A 1 LEU N :NH3+ -134:sc= -4.13! (180deg=-7.48!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0361 F(o=-3.1!,f=-0.036) USER MOD Single : A 9 TYR OH : rot -16:sc= 1.18 USER MOD Single : A 11 SER OG : rot 179:sc= -1.3 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.95! C(o=-3.7!,f=-2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=-8.84e-05 USER MOD Single : A 20 SER OG : rot 0:sc= -0.0536 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.881 F(o=-1.9!,f=-0.88) USER MOD Single : A 38 SER OG : rot -2:sc= 1.07 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00394 X(o=-0.0039,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.239 F(o=-1.3,f=-0.24) USER MOD Single : A 61 THR OG1 : rot -119:sc= -3.67! USER MOD Single : A 62 GLN : amide:sc= -4.11! C(o=-4.1!,f=-7.4!) USER MOD Single : A 66 SER OG : rot 69:sc= 0.535 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 150:sc= 0.211 USER MOD Single : A 79 GLN : amide:sc= -0.0986 K(o=-0.099,f=-2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -43:sc=-0.00375 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -82:sc= 0.332 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.902 -1.703 -14.992 1.00 0.00 N ATOM 2 CA LEU A 1 -3.904 -2.349 -13.685 1.00 0.00 C ATOM 3 C LEU A 1 -3.756 -1.302 -12.583 1.00 0.00 C ATOM 4 O LEU A 1 -3.416 -0.149 -12.846 1.00 0.00 O ATOM 5 CB LEU A 1 -2.738 -3.350 -13.582 1.00 0.00 C ATOM 6 CG LEU A 1 -2.993 -4.619 -14.424 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.209 -5.412 -13.885 1.00 0.00 C ATOM 8 CD2 LEU A 1 -3.207 -4.241 -15.900 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.674 -2.090 -15.572 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.039 -0.679 -14.873 1.00 0.00 H new ATOM 0 H3 LEU A 1 -2.992 -1.878 -15.465 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.849 -2.878 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.818 -2.871 -13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -2.591 -3.630 -12.539 1.00 0.00 H new ATOM 0 HG LEU A 1 -2.115 -5.261 -14.348 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.365 -6.300 -14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.020 -5.711 -12.854 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.099 -4.784 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.386 -5.143 -16.484 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.068 -3.577 -15.985 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.319 -3.734 -16.278 1.00 0.00 H new ATOM 22 N GLY A 2 -3.998 -1.724 -11.348 1.00 0.00 N ATOM 23 CA GLY A 2 -3.872 -0.837 -10.206 1.00 0.00 C ATOM 24 C GLY A 2 -5.047 0.110 -10.052 1.00 0.00 C ATOM 25 O GLY A 2 -6.207 -0.291 -10.134 1.00 0.00 O ATOM 0 H GLY A 2 -4.282 -2.675 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.774 -1.434 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.956 -0.255 -10.305 1.00 0.00 H new ATOM 29 N LYS A 3 -4.724 1.383 -9.858 1.00 0.00 N ATOM 30 CA LYS A 3 -5.735 2.430 -9.716 1.00 0.00 C ATOM 31 C LYS A 3 -6.956 1.965 -8.916 1.00 0.00 C ATOM 32 O LYS A 3 -8.092 2.245 -9.297 1.00 0.00 O ATOM 33 CB LYS A 3 -6.177 2.888 -11.113 1.00 0.00 C ATOM 34 CG LYS A 3 -5.046 3.687 -11.802 1.00 0.00 C ATOM 35 CD LYS A 3 -5.045 5.157 -11.333 1.00 0.00 C ATOM 36 CE LYS A 3 -4.130 5.987 -12.236 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.278 7.430 -11.894 1.00 0.00 N ATOM 0 H LYS A 3 -3.763 1.719 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.285 3.254 -9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.441 2.022 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.071 3.506 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.083 3.229 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.174 3.646 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.058 5.558 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.705 5.219 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.093 5.675 -12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.385 5.821 -13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.657 7.997 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.266 7.721 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.014 7.580 -10.899 1.00 0.00 H new ATOM 51 N PHE A 4 -6.728 1.280 -7.799 1.00 0.00 N ATOM 52 CA PHE A 4 -7.846 0.829 -6.974 1.00 0.00 C ATOM 53 C PHE A 4 -8.610 2.041 -6.438 1.00 0.00 C ATOM 54 O PHE A 4 -9.827 1.997 -6.265 1.00 0.00 O ATOM 55 CB PHE A 4 -7.353 -0.055 -5.809 1.00 0.00 C ATOM 56 CG PHE A 4 -6.718 0.787 -4.724 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.502 1.442 -4.979 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.339 0.916 -3.459 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.903 2.225 -3.980 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.734 1.700 -2.454 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.512 2.354 -2.714 1.00 0.00 C ATOM 0 H PHE A 4 -5.803 1.029 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.513 0.227 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.190 -0.618 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.631 -0.783 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.028 1.343 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.275 0.415 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.971 2.732 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.206 1.799 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.044 2.952 -1.946 1.00 0.00 H new ATOM 71 N SER A 5 -7.871 3.119 -6.180 1.00 0.00 N ATOM 72 CA SER A 5 -8.458 4.350 -5.658 1.00 0.00 C ATOM 73 C SER A 5 -9.615 4.838 -6.528 1.00 0.00 C ATOM 74 O SER A 5 -10.543 5.478 -6.032 1.00 0.00 O ATOM 75 CB SER A 5 -7.387 5.438 -5.580 1.00 0.00 C ATOM 76 OG SER A 5 -6.835 5.649 -6.872 1.00 0.00 O ATOM 0 H SER A 5 -6.862 3.164 -6.325 1.00 0.00 H new ATOM 0 HA SER A 5 -8.850 4.136 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.820 6.364 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.604 5.144 -4.881 1.00 0.00 H new ATOM 0 HG SER A 5 -6.149 6.347 -6.825 1.00 0.00 H new ATOM 82 N GLN A 6 -9.560 4.544 -7.824 1.00 0.00 N ATOM 83 CA GLN A 6 -10.619 4.976 -8.734 1.00 0.00 C ATOM 84 C GLN A 6 -11.956 4.351 -8.342 1.00 0.00 C ATOM 85 O GLN A 6 -13.011 4.947 -8.556 1.00 0.00 O ATOM 86 CB GLN A 6 -10.274 4.583 -10.187 1.00 0.00 C ATOM 87 CG GLN A 6 -9.256 5.565 -10.794 1.00 0.00 C ATOM 88 CD GLN A 6 -9.194 5.359 -12.312 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.093 4.931 -12.864 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -10.166 5.588 -13.003 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.806 4.016 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.701 6.061 -8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.867 3.572 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.181 4.574 -10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.544 6.591 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.272 5.405 -10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.029 5.923 -12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.120 5.445 -14.012 1.00 0.00 H new ATOM 99 N THR A 7 -11.906 3.145 -7.776 1.00 0.00 N ATOM 100 CA THR A 7 -13.121 2.433 -7.363 1.00 0.00 C ATOM 101 C THR A 7 -13.018 2.018 -5.896 1.00 0.00 C ATOM 102 O THR A 7 -13.637 1.047 -5.462 1.00 0.00 O ATOM 103 CB THR A 7 -13.342 1.184 -8.247 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.227 0.280 -7.601 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.005 0.496 -8.506 1.00 0.00 C ATOM 0 H THR A 7 -11.040 2.639 -7.592 1.00 0.00 H new ATOM 0 HA THR A 7 -13.971 3.104 -7.484 1.00 0.00 H new ATOM 0 HB THR A 7 -13.781 1.493 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.541 0.674 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.163 -0.384 -9.129 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.334 1.186 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.562 0.194 -7.557 1.00 0.00 H new ATOM 113 N CYS A 8 -12.244 2.788 -5.126 1.00 0.00 N ATOM 114 CA CYS A 8 -12.075 2.525 -3.693 1.00 0.00 C ATOM 115 C CYS A 8 -12.088 3.834 -2.916 1.00 0.00 C ATOM 116 O CYS A 8 -11.533 4.839 -3.360 1.00 0.00 O ATOM 117 CB CYS A 8 -10.770 1.768 -3.427 1.00 0.00 C ATOM 118 SG CYS A 8 -10.935 0.070 -4.031 1.00 0.00 S ATOM 0 H CYS A 8 -11.726 3.597 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.906 1.903 -3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.939 2.265 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.547 1.767 -2.360 1.00 0.00 H new ATOM 123 N TYR A 9 -12.742 3.814 -1.754 1.00 0.00 N ATOM 124 CA TYR A 9 -12.850 5.004 -0.908 1.00 0.00 C ATOM 125 C TYR A 9 -12.691 4.633 0.564 1.00 0.00 C ATOM 126 O TYR A 9 -12.747 3.457 0.926 1.00 0.00 O ATOM 127 CB TYR A 9 -14.210 5.674 -1.129 1.00 0.00 C ATOM 128 CG TYR A 9 -15.322 4.726 -0.732 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.808 3.775 -1.656 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.877 4.793 0.564 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.848 2.893 -1.283 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.915 3.911 0.937 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.401 2.962 0.014 1.00 0.00 C ATOM 134 OH TYR A 9 -18.499 2.190 0.336 1.00 0.00 O ATOM 0 H TYR A 9 -13.205 2.987 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.054 5.698 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.274 6.590 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.319 5.959 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.385 3.721 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.507 5.520 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.219 2.166 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.337 3.963 1.930 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.919 1.860 -0.486 1.00 0.00 H new ATOM 144 N ASN A 10 -12.470 5.646 1.400 1.00 0.00 N ATOM 145 CA ASN A 10 -12.280 5.434 2.832 1.00 0.00 C ATOM 146 C ASN A 10 -11.083 4.522 3.072 1.00 0.00 C ATOM 147 O ASN A 10 -11.144 3.596 3.882 1.00 0.00 O ATOM 148 CB ASN A 10 -13.540 4.826 3.462 1.00 0.00 C ATOM 149 CG ASN A 10 -13.331 4.645 4.965 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.675 5.445 5.600 1.00 0.00 O ATOM 151 ND2 ASN A 10 -13.872 3.621 5.566 1.00 0.00 N ATOM 0 H ASN A 10 -12.418 6.622 1.109 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.091 6.400 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.398 5.474 3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.762 3.865 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.744 3.493 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.423 2.949 5.032 1.00 0.00 H new ATOM 158 N SER A 11 -9.990 4.795 2.356 1.00 0.00 N ATOM 159 CA SER A 11 -8.771 4.000 2.489 1.00 0.00 C ATOM 160 C SER A 11 -7.964 4.453 3.699 1.00 0.00 C ATOM 161 O SER A 11 -7.991 5.624 4.076 1.00 0.00 O ATOM 162 CB SER A 11 -7.917 4.115 1.219 1.00 0.00 C ATOM 163 OG SER A 11 -7.838 5.476 0.828 1.00 0.00 O ATOM 0 H SER A 11 -9.926 5.557 1.681 1.00 0.00 H new ATOM 0 HA SER A 11 -9.058 2.958 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.918 3.719 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.355 3.519 0.418 1.00 0.00 H new ATOM 0 HG SER A 11 -7.279 5.554 0.027 1.00 0.00 H new ATOM 169 N ALA A 12 -7.245 3.511 4.303 1.00 0.00 N ATOM 170 CA ALA A 12 -6.424 3.806 5.475 1.00 0.00 C ATOM 171 C ALA A 12 -5.265 2.824 5.565 1.00 0.00 C ATOM 172 O ALA A 12 -5.348 1.699 5.072 1.00 0.00 O ATOM 173 CB ALA A 12 -7.271 3.722 6.735 1.00 0.00 C ATOM 0 H ALA A 12 -7.214 2.537 4.001 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.024 4.816 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.652 3.943 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.085 4.445 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.684 2.718 6.829 1.00 0.00 H new ATOM 179 N ILE A 13 -4.178 3.261 6.196 1.00 0.00 N ATOM 180 CA ILE A 13 -2.984 2.426 6.356 1.00 0.00 C ATOM 181 C ILE A 13 -2.419 2.607 7.763 1.00 0.00 C ATOM 182 O ILE A 13 -2.363 3.725 8.276 1.00 0.00 O ATOM 183 CB ILE A 13 -1.914 2.803 5.292 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.354 2.262 3.909 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.550 2.200 5.670 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.654 3.013 2.750 1.00 0.00 C ATOM 0 H ILE A 13 -4.097 4.191 6.607 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.257 1.381 6.212 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.820 3.888 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.124 1.198 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.435 2.361 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.189 2.472 4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.238 2.586 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.634 1.114 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.989 2.604 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.905 4.073 2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.574 2.892 2.837 1.00 0.00 H new ATOM 198 N GLN A 14 -2.004 1.501 8.386 1.00 0.00 N ATOM 199 CA GLN A 14 -1.454 1.560 9.742 1.00 0.00 C ATOM 200 C GLN A 14 -0.488 0.400 9.999 1.00 0.00 C ATOM 201 O GLN A 14 -0.888 -0.683 10.423 1.00 0.00 O ATOM 202 CB GLN A 14 -2.606 1.533 10.771 1.00 0.00 C ATOM 203 CG GLN A 14 -2.196 2.255 12.067 1.00 0.00 C ATOM 204 CD GLN A 14 -0.839 1.739 12.555 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.255 2.239 12.049 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.774 0.874 13.406 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.037 0.566 7.980 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.895 2.490 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.490 2.010 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.877 0.501 10.994 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.143 3.329 11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.952 2.094 12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.629 0.483 13.802 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.135 0.539 13.724 1.00 0.00 H new ATOM 215 N GLY A 15 0.786 0.653 9.726 1.00 0.00 N ATOM 216 CA GLY A 15 1.834 -0.346 9.916 1.00 0.00 C ATOM 217 C GLY A 15 2.219 -1.011 8.613 1.00 0.00 C ATOM 218 O GLY A 15 3.204 -0.639 7.993 1.00 0.00 O ATOM 0 H GLY A 15 1.122 1.548 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.712 0.127 10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.492 -1.102 10.623 1.00 0.00 H new ATOM 222 N SER A 16 1.438 -2.000 8.191 1.00 0.00 N ATOM 223 CA SER A 16 1.716 -2.708 6.940 1.00 0.00 C ATOM 224 C SER A 16 0.443 -3.333 6.404 1.00 0.00 C ATOM 225 O SER A 16 0.457 -4.407 5.807 1.00 0.00 O ATOM 226 CB SER A 16 2.759 -3.792 7.173 1.00 0.00 C ATOM 227 OG SER A 16 2.209 -4.809 7.999 1.00 0.00 O ATOM 0 H SER A 16 0.612 -2.330 8.691 1.00 0.00 H new ATOM 0 HA SER A 16 2.100 -1.994 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.078 -4.215 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.644 -3.365 7.644 1.00 0.00 H new ATOM 0 HG SER A 16 2.880 -5.508 8.148 1.00 0.00 H new ATOM 233 N VAL A 17 -0.661 -2.637 6.631 1.00 0.00 N ATOM 234 CA VAL A 17 -1.969 -3.105 6.183 1.00 0.00 C ATOM 235 C VAL A 17 -2.768 -1.969 5.571 1.00 0.00 C ATOM 236 O VAL A 17 -3.007 -0.946 6.206 1.00 0.00 O ATOM 237 CB VAL A 17 -2.769 -3.713 7.355 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.107 -2.630 8.394 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.062 -4.340 6.817 1.00 0.00 C ATOM 0 H VAL A 17 -0.680 -1.744 7.124 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.800 -3.873 5.429 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.164 -4.480 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.671 -3.075 9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.185 -2.197 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.705 -1.849 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.629 -4.770 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.661 -3.573 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.816 -5.123 6.099 1.00 0.00 H new ATOM 249 N LEU A 18 -3.217 -2.183 4.341 1.00 0.00 N ATOM 250 CA LEU A 18 -4.043 -1.212 3.635 1.00 0.00 C ATOM 251 C LEU A 18 -5.477 -1.675 3.813 1.00 0.00 C ATOM 252 O LEU A 18 -5.763 -2.845 3.594 1.00 0.00 O ATOM 253 CB LEU A 18 -3.649 -1.190 2.138 1.00 0.00 C ATOM 254 CG LEU A 18 -3.973 0.164 1.480 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.772 0.045 -0.035 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.424 0.577 1.777 1.00 0.00 C ATOM 0 H LEU A 18 -3.020 -3.030 3.807 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.912 -0.201 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.583 -1.396 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.177 -1.985 1.612 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.307 0.925 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.000 1.000 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.737 -0.226 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.436 -0.723 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.633 1.536 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.105 -0.178 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.564 0.666 2.854 1.00 0.00 H new ATOM 268 N THR A 19 -6.381 -0.781 4.187 1.00 0.00 N ATOM 269 CA THR A 19 -7.784 -1.139 4.369 1.00 0.00 C ATOM 270 C THR A 19 -8.613 -0.091 3.661 1.00 0.00 C ATOM 271 O THR A 19 -8.409 1.101 3.878 1.00 0.00 O ATOM 272 CB THR A 19 -8.164 -1.144 5.864 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.322 -2.050 6.563 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.622 -1.576 6.023 1.00 0.00 C ATOM 0 H THR A 19 -6.169 0.200 4.371 1.00 0.00 H new ATOM 0 HA THR A 19 -7.962 -2.137 3.968 1.00 0.00 H new ATOM 0 HB THR A 19 -8.039 -0.141 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.562 -2.053 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.887 -1.579 7.080 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.268 -0.880 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.751 -2.578 5.614 1.00 0.00 H new ATOM 282 N SER A 20 -9.532 -0.517 2.802 1.00 0.00 N ATOM 283 CA SER A 20 -10.352 0.437 2.066 1.00 0.00 C ATOM 284 C SER A 20 -11.643 -0.195 1.585 1.00 0.00 C ATOM 285 O SER A 20 -11.664 -1.341 1.134 1.00 0.00 O ATOM 286 CB SER A 20 -9.576 0.964 0.853 1.00 0.00 C ATOM 287 OG SER A 20 -10.240 2.107 0.335 1.00 0.00 O ATOM 0 H SER A 20 -9.726 -1.498 2.600 1.00 0.00 H new ATOM 0 HA SER A 20 -10.596 1.255 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.557 1.220 1.142 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.506 0.191 0.087 1.00 0.00 H new ATOM 0 HG SER A 20 -11.038 2.294 0.873 1.00 0.00 H new ATOM 293 N THR A 21 -12.715 0.584 1.657 1.00 0.00 N ATOM 294 CA THR A 21 -14.018 0.132 1.199 1.00 0.00 C ATOM 295 C THR A 21 -14.101 0.336 -0.302 1.00 0.00 C ATOM 296 O THR A 21 -13.887 1.442 -0.796 1.00 0.00 O ATOM 297 CB THR A 21 -15.146 0.914 1.889 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.970 0.839 3.298 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.497 0.306 1.511 1.00 0.00 C ATOM 0 H THR A 21 -12.705 1.534 2.029 1.00 0.00 H new ATOM 0 HA THR A 21 -14.137 -0.923 1.448 1.00 0.00 H new ATOM 0 HB THR A 21 -15.118 1.956 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.210 -0.058 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.296 0.862 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.629 0.357 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.530 -0.735 1.832 1.00 0.00 H new ATOM 307 N CYS A 22 -14.402 -0.739 -1.029 1.00 0.00 N ATOM 308 CA CYS A 22 -14.497 -0.681 -2.489 1.00 0.00 C ATOM 309 C CYS A 22 -15.835 -1.216 -2.961 1.00 0.00 C ATOM 310 O CYS A 22 -16.409 -2.118 -2.351 1.00 0.00 O ATOM 311 CB CYS A 22 -13.363 -1.503 -3.106 1.00 0.00 C ATOM 312 SG CYS A 22 -11.772 -0.912 -2.477 1.00 0.00 S ATOM 0 H CYS A 22 -14.584 -1.661 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.411 0.359 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.492 -2.558 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.389 -1.420 -4.192 1.00 0.00 H new ATOM 317 N GLU A 23 -16.329 -0.644 -4.053 1.00 0.00 N ATOM 318 CA GLU A 23 -17.607 -1.058 -4.610 1.00 0.00 C ATOM 319 C GLU A 23 -17.478 -2.411 -5.302 1.00 0.00 C ATOM 320 O GLU A 23 -16.669 -2.580 -6.214 1.00 0.00 O ATOM 321 CB GLU A 23 -18.107 -0.005 -5.606 1.00 0.00 C ATOM 322 CG GLU A 23 -17.933 1.399 -5.006 1.00 0.00 C ATOM 323 CD GLU A 23 -18.788 2.408 -5.779 1.00 0.00 C ATOM 324 OE1 GLU A 23 -18.400 2.763 -6.880 1.00 0.00 O ATOM 325 OE2 GLU A 23 -19.815 2.808 -5.257 1.00 0.00 O ATOM 0 H GLU A 23 -15.865 0.105 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.326 -1.153 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.552 -0.083 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.156 -0.183 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.223 1.393 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.884 1.693 -5.045 1.00 0.00 H new ATOM 332 N ARG A 24 -18.297 -3.363 -4.869 1.00 0.00 N ATOM 333 CA ARG A 24 -18.280 -4.693 -5.464 1.00 0.00 C ATOM 334 C ARG A 24 -18.803 -4.633 -6.886 1.00 0.00 C ATOM 335 O ARG A 24 -19.598 -3.760 -7.230 1.00 0.00 O ATOM 336 CB ARG A 24 -19.138 -5.684 -4.664 1.00 0.00 C ATOM 337 CG ARG A 24 -18.630 -5.806 -3.208 1.00 0.00 C ATOM 338 CD ARG A 24 -19.055 -7.163 -2.581 1.00 0.00 C ATOM 339 NE ARG A 24 -17.863 -8.069 -2.542 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.805 -9.054 -1.683 1.00 0.00 C ATOM 341 NH1 ARG A 24 -18.846 -9.350 -0.955 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.701 -9.741 -1.552 1.00 0.00 N ATOM 0 H ARG A 24 -18.974 -3.241 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.247 -5.040 -5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.177 -5.354 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.114 -6.662 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.544 -5.717 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.027 -4.985 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.445 -7.009 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.855 -7.616 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.090 -7.917 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.707 -8.813 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.799 -10.118 -0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.886 -9.509 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.655 -10.509 -0.883 1.00 0.00 H new ATOM 356 N THR A 25 -18.358 -5.576 -7.709 1.00 0.00 N ATOM 357 CA THR A 25 -18.791 -5.640 -9.100 1.00 0.00 C ATOM 358 C THR A 25 -20.048 -6.494 -9.206 1.00 0.00 C ATOM 359 O THR A 25 -20.870 -6.304 -10.101 1.00 0.00 O ATOM 360 CB THR A 25 -17.692 -6.259 -9.982 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.493 -5.512 -9.828 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.130 -6.226 -11.445 1.00 0.00 C ATOM 0 H THR A 25 -17.699 -6.305 -7.438 1.00 0.00 H new ATOM 0 HA THR A 25 -18.996 -4.626 -9.443 1.00 0.00 H new ATOM 0 HB THR A 25 -17.521 -7.293 -9.681 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.790 -5.904 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.351 -6.665 -12.068 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.052 -6.796 -11.562 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.301 -5.194 -11.751 1.00 0.00 H new ATOM 370 N ASN A 26 -20.194 -7.433 -8.270 1.00 0.00 N ATOM 371 CA ASN A 26 -21.359 -8.325 -8.235 1.00 0.00 C ATOM 372 C ASN A 26 -22.313 -7.867 -7.123 1.00 0.00 C ATOM 373 O ASN A 26 -23.471 -7.541 -7.376 1.00 0.00 O ATOM 374 CB ASN A 26 -20.876 -9.784 -7.992 1.00 0.00 C ATOM 375 CG ASN A 26 -21.534 -10.753 -8.988 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.695 -11.085 -8.855 1.00 0.00 O ATOM 377 ND2 ASN A 26 -20.833 -11.219 -9.985 1.00 0.00 N ATOM 0 H ASN A 26 -19.519 -7.597 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.894 -8.290 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.792 -9.834 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.116 -10.086 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.260 -11.862 -10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.858 -10.941 -10.097 1.00 0.00 H new ATOM 384 N GLY A 27 -21.813 -7.877 -5.892 1.00 0.00 N ATOM 385 CA GLY A 27 -22.614 -7.487 -4.739 1.00 0.00 C ATOM 386 C GLY A 27 -22.727 -5.977 -4.568 1.00 0.00 C ATOM 387 O GLY A 27 -22.935 -5.238 -5.530 1.00 0.00 O ATOM 0 H GLY A 27 -20.856 -8.151 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.613 -7.910 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.175 -7.916 -3.838 1.00 0.00 H new ATOM 391 N GLY A 28 -22.603 -5.540 -3.313 1.00 0.00 N ATOM 392 CA GLY A 28 -22.696 -4.121 -2.955 1.00 0.00 C ATOM 393 C GLY A 28 -21.338 -3.539 -2.620 1.00 0.00 C ATOM 394 O GLY A 28 -20.521 -3.312 -3.505 1.00 0.00 O ATOM 0 H GLY A 28 -22.436 -6.157 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.137 -3.565 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.363 -4.004 -2.101 1.00 0.00 H new ATOM 398 N TYR A 29 -21.101 -3.279 -1.331 1.00 0.00 N ATOM 399 CA TYR A 29 -19.827 -2.715 -0.873 1.00 0.00 C ATOM 400 C TYR A 29 -19.059 -3.759 -0.064 1.00 0.00 C ATOM 401 O TYR A 29 -19.648 -4.496 0.727 1.00 0.00 O ATOM 402 CB TYR A 29 -20.090 -1.493 0.011 1.00 0.00 C ATOM 403 CG TYR A 29 -20.808 -0.427 -0.786 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.067 0.490 -1.562 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.218 -0.344 -0.751 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.735 1.489 -2.303 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.885 0.656 -1.493 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.142 1.573 -2.268 1.00 0.00 C ATOM 409 OH TYR A 29 -22.787 2.593 -2.936 1.00 0.00 O ATOM 0 H TYR A 29 -21.775 -3.450 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.239 -2.420 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.690 -1.780 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.148 -1.101 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.989 0.427 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.786 -1.045 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.168 2.190 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.963 0.719 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.755 2.505 -2.811 1.00 0.00 H new ATOM 419 N ASN A 30 -17.740 -3.818 -0.265 1.00 0.00 N ATOM 420 CA ASN A 30 -16.888 -4.779 0.451 1.00 0.00 C ATOM 421 C ASN A 30 -15.663 -4.077 1.024 1.00 0.00 C ATOM 422 O ASN A 30 -14.953 -3.366 0.313 1.00 0.00 O ATOM 423 CB ASN A 30 -16.443 -5.891 -0.509 1.00 0.00 C ATOM 424 CG ASN A 30 -15.385 -6.780 0.151 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.700 -7.818 0.700 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.135 -6.411 0.119 1.00 0.00 N ATOM 0 H ASN A 30 -17.237 -3.214 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.461 -5.213 1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.303 -6.494 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.039 -5.452 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.420 -6.993 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.872 -5.540 -0.342 1.00 0.00 H new ATOM 433 N THR A 31 -15.417 -4.295 2.317 1.00 0.00 N ATOM 434 CA THR A 31 -14.267 -3.694 2.998 1.00 0.00 C ATOM 435 C THR A 31 -13.211 -4.746 3.292 1.00 0.00 C ATOM 436 O THR A 31 -13.262 -5.430 4.313 1.00 0.00 O ATOM 437 CB THR A 31 -14.692 -3.036 4.324 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.810 -2.190 4.093 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.532 -2.209 4.883 1.00 0.00 C ATOM 0 H THR A 31 -15.998 -4.883 2.914 1.00 0.00 H new ATOM 0 HA THR A 31 -13.855 -2.934 2.334 1.00 0.00 H new ATOM 0 HB THR A 31 -14.962 -3.810 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 31 -16.083 -1.771 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.835 -1.744 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.674 -2.858 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.259 -1.434 4.166 1.00 0.00 H new ATOM 447 N SER A 32 -12.244 -4.859 2.383 1.00 0.00 N ATOM 448 CA SER A 32 -11.147 -5.817 2.526 1.00 0.00 C ATOM 449 C SER A 32 -9.843 -5.065 2.746 1.00 0.00 C ATOM 450 O SER A 32 -9.788 -3.841 2.617 1.00 0.00 O ATOM 451 CB SER A 32 -11.044 -6.684 1.265 1.00 0.00 C ATOM 452 OG SER A 32 -12.012 -7.721 1.333 1.00 0.00 O ATOM 0 H SER A 32 -12.198 -4.295 1.534 1.00 0.00 H new ATOM 0 HA SER A 32 -11.340 -6.462 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.207 -6.075 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.044 -7.109 1.181 1.00 0.00 H new ATOM 0 HG SER A 32 -12.591 -7.578 2.111 1.00 0.00 H new ATOM 458 N SER A 33 -8.790 -5.806 3.073 1.00 0.00 N ATOM 459 CA SER A 33 -7.478 -5.209 3.306 1.00 0.00 C ATOM 460 C SER A 33 -6.389 -6.090 2.706 1.00 0.00 C ATOM 461 O SER A 33 -6.589 -7.285 2.494 1.00 0.00 O ATOM 462 CB SER A 33 -7.248 -5.029 4.812 1.00 0.00 C ATOM 463 OG SER A 33 -7.702 -6.188 5.497 1.00 0.00 O ATOM 0 H SER A 33 -8.818 -6.820 3.183 1.00 0.00 H new ATOM 0 HA SER A 33 -7.440 -4.232 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.189 -4.865 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.781 -4.148 5.170 1.00 0.00 H new ATOM 0 HG SER A 33 -7.555 -6.078 6.460 1.00 0.00 H new ATOM 469 N ILE A 34 -5.238 -5.485 2.417 1.00 0.00 N ATOM 470 CA ILE A 34 -4.116 -6.217 1.824 1.00 0.00 C ATOM 471 C ILE A 34 -2.803 -5.796 2.475 1.00 0.00 C ATOM 472 O ILE A 34 -2.550 -4.611 2.694 1.00 0.00 O ATOM 473 CB ILE A 34 -4.050 -5.961 0.296 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.851 -6.694 -0.339 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.924 -4.463 0.024 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.972 -8.214 -0.125 1.00 0.00 C ATOM 0 H ILE A 34 -5.057 -4.495 2.582 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.272 -7.282 1.998 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.969 -6.343 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.806 -6.474 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.922 -6.332 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.878 -4.291 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.789 -3.944 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.015 -4.084 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.117 -8.715 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.993 -8.431 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.891 -8.574 -0.587 1.00 0.00 H new ATOM 488 N ASP A 35 -1.971 -6.785 2.779 1.00 0.00 N ATOM 489 CA ASP A 35 -0.679 -6.529 3.399 1.00 0.00 C ATOM 490 C ASP A 35 0.309 -6.060 2.342 1.00 0.00 C ATOM 491 O ASP A 35 0.642 -6.804 1.419 1.00 0.00 O ATOM 492 CB ASP A 35 -0.161 -7.808 4.059 1.00 0.00 C ATOM 493 CG ASP A 35 1.078 -7.494 4.899 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.498 -6.350 4.901 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.593 -8.409 5.522 1.00 0.00 O ATOM 0 H ASP A 35 -2.169 -7.771 2.606 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.790 -5.754 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.937 -8.243 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.083 -8.548 3.297 1.00 0.00 H new ATOM 500 N LEU A 36 0.788 -4.831 2.484 1.00 0.00 N ATOM 501 CA LEU A 36 1.748 -4.290 1.534 1.00 0.00 C ATOM 502 C LEU A 36 3.117 -4.900 1.786 1.00 0.00 C ATOM 503 O LEU A 36 4.051 -4.691 1.017 1.00 0.00 O ATOM 504 CB LEU A 36 1.843 -2.769 1.695 1.00 0.00 C ATOM 505 CG LEU A 36 0.489 -2.101 1.401 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.535 -0.644 1.879 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.186 -2.128 -0.110 1.00 0.00 C ATOM 0 H LEU A 36 0.530 -4.196 3.240 1.00 0.00 H new ATOM 0 HA LEU A 36 1.417 -4.530 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.161 -2.526 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.602 -2.374 1.020 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.295 -2.648 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.422 -0.163 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.731 -0.619 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.328 -0.113 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.776 -1.651 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.968 -1.591 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.152 -3.161 -0.456 1.00 0.00 H new ATOM 519 N ASN A 37 3.225 -5.664 2.869 1.00 0.00 N ATOM 520 CA ASN A 37 4.487 -6.297 3.218 1.00 0.00 C ATOM 521 C ASN A 37 4.841 -7.410 2.251 1.00 0.00 C ATOM 522 O ASN A 37 6.008 -7.767 2.124 1.00 0.00 O ATOM 523 CB ASN A 37 4.439 -6.866 4.636 1.00 0.00 C ATOM 524 CG ASN A 37 5.794 -7.494 4.978 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.846 -6.730 5.091 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.895 -8.693 5.136 1.00 0.00 N flip ATOM 0 H ASN A 37 2.459 -5.857 3.514 1.00 0.00 H new ATOM 0 HA ASN A 37 5.254 -5.524 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.201 -6.076 5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.649 -7.613 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.073 -9.290 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.802 -9.104 5.357 1.00 0.00 H new ATOM 533 N SER A 38 3.848 -7.988 1.584 1.00 0.00 N ATOM 534 CA SER A 38 4.107 -9.082 0.658 1.00 0.00 C ATOM 535 C SER A 38 4.401 -8.567 -0.747 1.00 0.00 C ATOM 536 O SER A 38 4.593 -9.360 -1.668 1.00 0.00 O ATOM 537 CB SER A 38 2.878 -9.991 0.616 1.00 0.00 C ATOM 538 OG SER A 38 3.040 -10.962 -0.408 1.00 0.00 O ATOM 0 H SER A 38 2.867 -7.720 1.666 1.00 0.00 H new ATOM 0 HA SER A 38 4.982 -9.631 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.743 -10.483 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.981 -9.399 0.432 1.00 0.00 H new ATOM 0 HG SER A 38 3.884 -10.803 -0.879 1.00 0.00 H new ATOM 544 N VAL A 39 4.424 -7.241 -0.924 1.00 0.00 N ATOM 545 CA VAL A 39 4.683 -6.659 -2.250 1.00 0.00 C ATOM 546 C VAL A 39 5.548 -5.395 -2.157 1.00 0.00 C ATOM 547 O VAL A 39 5.699 -4.675 -3.143 1.00 0.00 O ATOM 548 CB VAL A 39 3.353 -6.308 -2.965 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.663 -7.594 -3.442 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.423 -5.570 -1.997 1.00 0.00 C ATOM 0 H VAL A 39 4.270 -6.559 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 39 5.223 -7.411 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 39 3.570 -5.670 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.729 -7.341 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.317 -8.122 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.453 -8.234 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.490 -5.326 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.213 -6.207 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.904 -4.652 -1.659 1.00 0.00 H new ATOM 560 N ILE A 40 6.128 -5.133 -0.979 1.00 0.00 N ATOM 561 CA ILE A 40 6.995 -3.951 -0.794 1.00 0.00 C ATOM 562 C ILE A 40 8.254 -4.331 -0.005 1.00 0.00 C ATOM 563 O ILE A 40 8.179 -5.055 0.981 1.00 0.00 O ATOM 564 CB ILE A 40 6.252 -2.809 -0.046 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.083 -2.260 -0.901 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.225 -1.676 0.307 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.555 -1.267 -1.973 1.00 0.00 C ATOM 0 H ILE A 40 6.018 -5.712 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 40 7.273 -3.594 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 40 5.842 -3.220 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.567 -3.091 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.359 -1.770 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.688 -0.885 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.017 -2.063 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.663 -1.274 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.697 -0.913 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.046 -0.420 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.257 -1.762 -2.644 1.00 0.00 H new ATOM 579 N ALA A 41 9.412 -3.824 -0.455 1.00 0.00 N ATOM 580 CA ALA A 41 10.707 -4.103 0.197 1.00 0.00 C ATOM 581 C ALA A 41 11.433 -2.797 0.552 1.00 0.00 C ATOM 582 O ALA A 41 11.257 -1.781 -0.119 1.00 0.00 O ATOM 583 CB ALA A 41 11.574 -4.926 -0.749 1.00 0.00 C ATOM 0 H ALA A 41 9.481 -3.216 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 41 10.525 -4.657 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.532 -5.136 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.070 -5.865 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.740 -4.367 -1.670 1.00 0.00 H new ATOM 589 N ALA A 42 12.245 -2.829 1.621 1.00 0.00 N ATOM 590 CA ALA A 42 12.999 -1.639 2.065 1.00 0.00 C ATOM 591 C ALA A 42 14.491 -1.793 1.782 1.00 0.00 C ATOM 592 O ALA A 42 15.151 -2.664 2.350 1.00 0.00 O ATOM 593 CB ALA A 42 12.817 -1.424 3.561 1.00 0.00 C ATOM 0 H ALA A 42 12.398 -3.660 2.193 1.00 0.00 H new ATOM 0 HA ALA A 42 12.611 -0.785 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.379 -0.543 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.760 -1.277 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.182 -2.297 4.101 1.00 0.00 H new ATOM 599 N VAL A 43 15.019 -0.940 0.902 1.00 0.00 N ATOM 600 CA VAL A 43 16.443 -0.977 0.545 1.00 0.00 C ATOM 601 C VAL A 43 17.062 0.416 0.647 1.00 0.00 C ATOM 602 O VAL A 43 16.758 1.299 -0.155 1.00 0.00 O ATOM 603 CB VAL A 43 16.628 -1.486 -0.896 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.120 -1.541 -1.236 1.00 0.00 C ATOM 605 CG2 VAL A 43 16.023 -2.887 -1.018 1.00 0.00 C ATOM 0 H VAL A 43 14.485 -0.215 0.423 1.00 0.00 H new ATOM 0 HA VAL A 43 16.938 -1.653 1.243 1.00 0.00 H new ATOM 0 HB VAL A 43 16.127 -0.809 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.248 -1.902 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.550 -0.544 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.626 -2.217 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.152 -3.251 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.525 -3.562 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.960 -2.847 -0.779 1.00 0.00 H new ATOM 615 N ASP A 44 17.926 0.604 1.644 1.00 0.00 N ATOM 616 CA ASP A 44 18.591 1.890 1.859 1.00 0.00 C ATOM 617 C ASP A 44 17.568 2.994 2.117 1.00 0.00 C ATOM 618 O ASP A 44 17.819 4.165 1.836 1.00 0.00 O ATOM 619 CB ASP A 44 19.490 2.251 0.648 1.00 0.00 C ATOM 620 CG ASP A 44 20.878 1.622 0.813 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.941 0.435 1.084 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.852 2.343 0.669 1.00 0.00 O ATOM 0 H ASP A 44 18.182 -0.119 2.317 1.00 0.00 H new ATOM 0 HA ASP A 44 19.224 1.800 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.030 1.897 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.581 3.334 0.563 1.00 0.00 H new ATOM 627 N GLY A 45 16.417 2.626 2.666 1.00 0.00 N ATOM 628 CA GLY A 45 15.387 3.603 2.965 1.00 0.00 C ATOM 629 C GLY A 45 14.550 3.933 1.750 1.00 0.00 C ATOM 630 O GLY A 45 14.117 5.071 1.576 1.00 0.00 O ATOM 0 H GLY A 45 16.178 1.665 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.742 3.220 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.850 4.514 3.344 1.00 0.00 H new ATOM 634 N SER A 46 14.325 2.933 0.898 1.00 0.00 N ATOM 635 CA SER A 46 13.536 3.123 -0.323 1.00 0.00 C ATOM 636 C SER A 46 12.532 1.983 -0.498 1.00 0.00 C ATOM 637 O SER A 46 12.908 0.811 -0.520 1.00 0.00 O ATOM 638 CB SER A 46 14.479 3.192 -1.533 1.00 0.00 C ATOM 639 OG SER A 46 13.874 3.970 -2.557 1.00 0.00 O ATOM 0 H SER A 46 14.676 1.984 1.029 1.00 0.00 H new ATOM 0 HA SER A 46 12.979 4.056 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.432 3.633 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.691 2.188 -1.901 1.00 0.00 H new ATOM 0 HG SER A 46 14.475 4.017 -3.330 1.00 0.00 H new ATOM 645 N LEU A 47 11.254 2.340 -0.625 1.00 0.00 N ATOM 646 CA LEU A 47 10.197 1.344 -0.804 1.00 0.00 C ATOM 647 C LEU A 47 10.052 0.986 -2.281 1.00 0.00 C ATOM 648 O LEU A 47 9.777 1.848 -3.115 1.00 0.00 O ATOM 649 CB LEU A 47 8.865 1.893 -0.284 1.00 0.00 C ATOM 650 CG LEU A 47 8.966 2.220 1.215 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.662 2.888 1.665 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.200 0.936 2.039 1.00 0.00 C ATOM 0 H LEU A 47 10.926 3.306 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 47 10.466 0.450 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.592 2.790 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.074 1.162 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 47 9.809 2.891 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.722 3.125 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.508 3.806 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.827 2.210 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.268 1.190 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.369 0.248 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.128 0.462 1.719 1.00 0.00 H new ATOM 664 N LYS A 48 10.240 -0.298 -2.594 1.00 0.00 N ATOM 665 CA LYS A 48 10.135 -0.793 -3.974 1.00 0.00 C ATOM 666 C LYS A 48 9.083 -1.896 -4.055 1.00 0.00 C ATOM 667 O LYS A 48 8.901 -2.648 -3.106 1.00 0.00 O ATOM 668 CB LYS A 48 11.494 -1.356 -4.419 1.00 0.00 C ATOM 669 CG LYS A 48 12.464 -0.209 -4.756 1.00 0.00 C ATOM 670 CD LYS A 48 12.057 0.489 -6.082 1.00 0.00 C ATOM 671 CE LYS A 48 13.292 1.077 -6.778 1.00 0.00 C ATOM 672 NZ LYS A 48 12.886 1.651 -8.092 1.00 0.00 N ATOM 0 H LYS A 48 10.467 -1.019 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 48 9.843 0.030 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.915 -1.976 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.362 -1.997 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.469 0.518 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.478 -0.599 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.566 -0.227 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.336 1.280 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.743 1.849 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.046 0.303 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.719 2.051 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.474 0.903 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.181 2.400 -7.941 1.00 0.00 H new ATOM 686 N TRP A 49 8.403 -1.988 -5.196 1.00 0.00 N ATOM 687 CA TRP A 49 7.375 -3.011 -5.384 1.00 0.00 C ATOM 688 C TRP A 49 8.005 -4.386 -5.540 1.00 0.00 C ATOM 689 O TRP A 49 9.206 -4.549 -5.330 1.00 0.00 O ATOM 690 CB TRP A 49 6.528 -2.684 -6.622 1.00 0.00 C ATOM 691 CG TRP A 49 5.647 -1.525 -6.306 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.796 -0.274 -6.795 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.495 -1.493 -5.423 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.817 0.535 -6.253 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.986 -0.168 -5.406 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.842 -2.476 -4.634 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.875 0.177 -4.634 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.711 -2.133 -3.855 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.230 -0.805 -3.854 1.00 0.00 C ATOM 0 H TRP A 49 8.543 -1.373 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 49 6.735 -3.020 -4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.172 -2.449 -7.469 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.928 -3.548 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.556 0.041 -7.495 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.720 1.530 -6.454 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.210 -3.491 -4.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.510 1.194 -4.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.216 -2.887 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.369 -0.542 -3.257 1.00 0.00 H new ATOM 710 N GLN A 50 7.174 -5.375 -5.905 1.00 0.00 N ATOM 711 CA GLN A 50 7.630 -6.760 -6.087 1.00 0.00 C ATOM 712 C GLN A 50 8.743 -7.100 -5.099 1.00 0.00 C ATOM 713 O GLN A 50 9.887 -7.334 -5.483 1.00 0.00 O ATOM 714 CB GLN A 50 8.107 -6.990 -7.530 1.00 0.00 C ATOM 715 CG GLN A 50 9.049 -5.865 -7.970 1.00 0.00 C ATOM 716 CD GLN A 50 9.636 -6.201 -9.341 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.395 -5.498 -10.302 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.399 -7.251 -9.473 1.00 0.00 N ATOM 0 H GLN A 50 6.178 -5.239 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 50 6.785 -7.421 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.619 -7.950 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.248 -7.036 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.508 -4.920 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.849 -5.740 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.600 -7.840 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.794 -7.483 -10.384 1.00 0.00 H new ATOM 727 N GLY A 51 8.383 -7.128 -3.825 1.00 0.00 N ATOM 728 CA GLY A 51 9.339 -7.435 -2.782 1.00 0.00 C ATOM 729 C GLY A 51 8.664 -7.633 -1.443 1.00 0.00 C ATOM 730 O GLY A 51 7.437 -7.702 -1.362 1.00 0.00 O ATOM 0 H GLY A 51 7.437 -6.942 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.890 -8.337 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.067 -6.627 -2.706 1.00 0.00 H new ATOM 734 N SER A 52 9.467 -7.740 -0.387 1.00 0.00 N ATOM 735 CA SER A 52 8.926 -7.950 0.953 1.00 0.00 C ATOM 736 C SER A 52 9.942 -7.548 2.026 1.00 0.00 C ATOM 737 O SER A 52 11.051 -7.114 1.714 1.00 0.00 O ATOM 738 CB SER A 52 8.539 -9.427 1.115 1.00 0.00 C ATOM 739 OG SER A 52 9.538 -10.236 0.510 1.00 0.00 O ATOM 0 H SER A 52 10.485 -7.685 -0.432 1.00 0.00 H new ATOM 0 HA SER A 52 8.043 -7.323 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.441 -9.677 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.570 -9.615 0.652 1.00 0.00 H new ATOM 0 HG SER A 52 9.299 -11.181 0.611 1.00 0.00 H new ATOM 745 N ASN A 53 9.538 -7.698 3.290 1.00 0.00 N ATOM 746 CA ASN A 53 10.390 -7.361 4.435 1.00 0.00 C ATOM 747 C ASN A 53 10.754 -5.870 4.452 1.00 0.00 C ATOM 748 O ASN A 53 11.929 -5.512 4.536 1.00 0.00 O ATOM 749 CB ASN A 53 11.672 -8.235 4.436 1.00 0.00 C ATOM 750 CG ASN A 53 11.387 -9.596 5.083 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.328 -9.682 6.384 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 11.223 -10.588 4.401 1.00 0.00 N flip ATOM 0 H ASN A 53 8.618 -8.054 3.548 1.00 0.00 H new ATOM 0 HA ASN A 53 9.822 -7.571 5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.025 -8.377 3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.467 -7.725 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.269 -10.521 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.039 -11.488 4.845 1.00 0.00 H new ATOM 759 N PHE A 54 9.735 -4.999 4.410 1.00 0.00 N ATOM 760 CA PHE A 54 9.957 -3.543 4.459 1.00 0.00 C ATOM 761 C PHE A 54 9.478 -3.000 5.803 1.00 0.00 C ATOM 762 O PHE A 54 10.087 -2.103 6.378 1.00 0.00 O ATOM 763 CB PHE A 54 9.223 -2.837 3.286 1.00 0.00 C ATOM 764 CG PHE A 54 7.831 -2.382 3.680 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.656 -1.177 4.387 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.718 -3.155 3.326 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.360 -0.747 4.744 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.416 -2.729 3.674 1.00 0.00 C ATOM 769 CZ PHE A 54 5.238 -1.524 4.387 1.00 0.00 C ATOM 0 H PHE A 54 8.755 -5.273 4.343 1.00 0.00 H new ATOM 0 HA PHE A 54 11.023 -3.341 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.807 -1.977 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.155 -3.518 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.515 -0.581 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.855 -4.080 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.227 0.176 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.559 -3.324 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.245 -1.198 4.659 1.00 0.00 H new ATOM 779 N ILE A 55 8.388 -3.571 6.296 1.00 0.00 N ATOM 780 CA ILE A 55 7.836 -3.152 7.573 1.00 0.00 C ATOM 781 C ILE A 55 8.846 -3.417 8.677 1.00 0.00 C ATOM 782 O ILE A 55 8.984 -2.631 9.614 1.00 0.00 O ATOM 783 CB ILE A 55 6.532 -3.917 7.885 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.897 -3.383 9.185 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.834 -5.410 8.044 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.513 -1.894 9.030 1.00 0.00 C ATOM 0 H ILE A 55 7.873 -4.320 5.834 1.00 0.00 H new ATOM 0 HA ILE A 55 7.614 -2.086 7.518 1.00 0.00 H new ATOM 0 HB ILE A 55 5.834 -3.770 7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.011 -3.969 9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.597 -3.500 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.911 -5.946 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.266 -5.794 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.541 -5.553 8.861 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.067 -1.535 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.405 -1.309 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.796 -1.786 8.216 1.00 0.00 H new ATOM 798 N GLU A 56 9.550 -4.531 8.550 1.00 0.00 N ATOM 799 CA GLU A 56 10.556 -4.909 9.529 1.00 0.00 C ATOM 800 C GLU A 56 11.543 -3.765 9.741 1.00 0.00 C ATOM 801 O GLU A 56 12.060 -3.577 10.842 1.00 0.00 O ATOM 802 CB GLU A 56 11.303 -6.158 9.032 1.00 0.00 C ATOM 803 CG GLU A 56 10.390 -7.418 9.131 1.00 0.00 C ATOM 804 CD GLU A 56 10.724 -8.237 10.389 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.283 -7.671 11.315 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.415 -9.417 10.399 1.00 0.00 O ATOM 0 H GLU A 56 9.443 -5.189 7.778 1.00 0.00 H new ATOM 0 HA GLU A 56 10.068 -5.128 10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.620 -6.012 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.206 -6.309 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.344 -7.113 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.520 -8.037 8.243 1.00 0.00 H new ATOM 813 N ALA A 57 11.811 -3.008 8.672 1.00 0.00 N ATOM 814 CA ALA A 57 12.755 -1.885 8.730 1.00 0.00 C ATOM 815 C ALA A 57 12.051 -0.551 8.493 1.00 0.00 C ATOM 816 O ALA A 57 12.697 0.443 8.162 1.00 0.00 O ATOM 817 CB ALA A 57 13.831 -2.080 7.673 1.00 0.00 C ATOM 0 H ALA A 57 11.388 -3.152 7.755 1.00 0.00 H new ATOM 0 HA ALA A 57 13.199 -1.863 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.534 -1.248 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.362 -3.013 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.369 -2.118 6.686 1.00 0.00 H new ATOM 823 N CYS A 58 10.725 -0.522 8.656 1.00 0.00 N ATOM 824 CA CYS A 58 9.963 0.716 8.449 1.00 0.00 C ATOM 825 C CYS A 58 8.830 0.843 9.458 1.00 0.00 C ATOM 826 O CYS A 58 8.338 -0.152 9.986 1.00 0.00 O ATOM 827 CB CYS A 58 9.376 0.743 7.038 1.00 0.00 C ATOM 828 SG CYS A 58 10.694 0.484 5.829 1.00 0.00 S ATOM 0 H CYS A 58 10.162 -1.328 8.927 1.00 0.00 H new ATOM 0 HA CYS A 58 10.649 1.552 8.584 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.616 -0.032 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.884 1.699 6.856 1.00 0.00 H new ATOM 833 N ARG A 59 8.412 2.086 9.707 1.00 0.00 N ATOM 834 CA ARG A 59 7.321 2.358 10.644 1.00 0.00 C ATOM 835 C ARG A 59 6.580 3.628 10.238 1.00 0.00 C ATOM 836 O ARG A 59 6.937 4.279 9.256 1.00 0.00 O ATOM 837 CB ARG A 59 7.859 2.508 12.079 1.00 0.00 C ATOM 838 CG ARG A 59 8.893 3.674 12.184 1.00 0.00 C ATOM 839 CD ARG A 59 10.325 3.127 12.267 1.00 0.00 C ATOM 840 NE ARG A 59 11.283 4.266 12.371 1.00 0.00 N ATOM 841 CZ ARG A 59 11.326 4.992 13.457 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.629 4.644 14.504 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.066 6.066 13.494 1.00 0.00 N ATOM 0 H ARG A 59 8.812 2.918 9.274 1.00 0.00 H new ATOM 0 HA ARG A 59 6.631 1.515 10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.030 2.693 12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.328 1.575 12.392 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.799 4.329 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.678 4.278 13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.426 2.471 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.549 2.528 11.385 1.00 0.00 H new ATOM 0 HE ARG A 59 11.906 4.479 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.050 3.805 14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.663 5.211 15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.610 6.339 12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.100 6.633 14.341 1.00 0.00 H new ATOM 857 N ASN A 60 5.551 3.974 11.000 1.00 0.00 N ATOM 858 CA ASN A 60 4.770 5.168 10.708 1.00 0.00 C ATOM 859 C ASN A 60 4.257 5.127 9.276 1.00 0.00 C ATOM 860 O ASN A 60 4.486 6.056 8.501 1.00 0.00 O ATOM 861 CB ASN A 60 5.625 6.421 10.902 1.00 0.00 C ATOM 862 CG ASN A 60 6.195 6.443 12.321 1.00 0.00 C ATOM 863 OD1 ASN A 60 7.482 6.318 12.494 1.00 0.00 O flip ATOM 864 ND2 ASN A 60 5.463 6.575 13.281 1.00 0.00 N flip ATOM 0 H ASN A 60 5.240 3.450 11.818 1.00 0.00 H new ATOM 0 HA ASN A 60 3.923 5.199 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.436 6.436 10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.024 7.313 10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.457 6.673 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.854 6.588 14.223 1.00 0.00 H new ATOM 871 N THR A 61 3.535 4.061 8.935 1.00 0.00 N ATOM 872 CA THR A 61 2.963 3.917 7.598 1.00 0.00 C ATOM 873 C THR A 61 1.556 4.511 7.609 1.00 0.00 C ATOM 874 O THR A 61 0.791 4.286 8.546 1.00 0.00 O ATOM 875 CB THR A 61 2.896 2.420 7.195 1.00 0.00 C ATOM 876 OG1 THR A 61 2.510 1.652 8.320 1.00 0.00 O ATOM 877 CG2 THR A 61 4.270 1.943 6.707 1.00 0.00 C ATOM 0 H THR A 61 3.333 3.285 9.566 1.00 0.00 H new ATOM 0 HA THR A 61 3.589 4.439 6.874 1.00 0.00 H new ATOM 0 HB THR A 61 2.169 2.299 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.216 1.006 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.212 0.891 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.574 2.533 5.842 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.002 2.066 7.505 1.00 0.00 H new ATOM 885 N GLN A 62 1.218 5.275 6.574 1.00 0.00 N ATOM 886 CA GLN A 62 -0.103 5.899 6.503 1.00 0.00 C ATOM 887 C GLN A 62 -0.453 6.276 5.067 1.00 0.00 C ATOM 888 O GLN A 62 0.408 6.295 4.189 1.00 0.00 O ATOM 889 CB GLN A 62 -0.144 7.146 7.398 1.00 0.00 C ATOM 890 CG GLN A 62 0.963 8.146 6.997 1.00 0.00 C ATOM 891 CD GLN A 62 0.482 9.040 5.849 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.603 8.685 4.694 1.00 0.00 O ATOM 893 NE2 GLN A 62 -0.060 10.196 6.123 1.00 0.00 N ATOM 0 H GLN A 62 1.829 5.476 5.783 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.840 5.178 6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.120 7.625 7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.017 6.855 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.236 8.760 7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.859 7.605 6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.162 10.494 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.382 10.800 5.367 1.00 0.00 H new ATOM 902 N LEU A 63 -1.731 6.571 4.840 1.00 0.00 N ATOM 903 CA LEU A 63 -2.211 6.947 3.511 1.00 0.00 C ATOM 904 C LEU A 63 -2.030 8.444 3.285 1.00 0.00 C ATOM 905 O LEU A 63 -2.360 9.254 4.150 1.00 0.00 O ATOM 906 CB LEU A 63 -3.699 6.589 3.391 1.00 0.00 C ATOM 907 CG LEU A 63 -4.196 6.772 1.934 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.845 5.543 1.082 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.717 6.956 1.935 1.00 0.00 C ATOM 0 H LEU A 63 -2.454 6.557 5.559 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.636 6.406 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.856 5.557 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.284 7.219 4.061 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.708 7.650 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.203 5.692 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.764 5.405 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.319 4.658 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.069 7.085 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.190 6.077 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.976 7.837 2.521 1.00 0.00 H new ATOM 921 N ALA A 64 -1.507 8.804 2.111 1.00 0.00 N ATOM 922 CA ALA A 64 -1.282 10.212 1.759 1.00 0.00 C ATOM 923 C ALA A 64 -1.946 10.537 0.420 1.00 0.00 C ATOM 924 O ALA A 64 -1.841 9.775 -0.538 1.00 0.00 O ATOM 925 CB ALA A 64 0.219 10.482 1.688 1.00 0.00 C ATOM 0 H ALA A 64 -1.231 8.142 1.386 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.726 10.850 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.389 11.527 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.673 10.272 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.669 9.841 0.930 1.00 0.00 H new ATOM 931 N GLY A 65 -2.619 11.684 0.367 1.00 0.00 N ATOM 932 CA GLY A 65 -3.286 12.122 -0.850 1.00 0.00 C ATOM 933 C GLY A 65 -4.546 11.329 -1.164 1.00 0.00 C ATOM 934 O GLY A 65 -5.631 11.896 -1.290 1.00 0.00 O ATOM 0 H GLY A 65 -2.715 12.325 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.543 13.177 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.593 12.036 -1.687 1.00 0.00 H new ATOM 938 N SER A 66 -4.399 10.012 -1.283 1.00 0.00 N ATOM 939 CA SER A 66 -5.539 9.138 -1.580 1.00 0.00 C ATOM 940 C SER A 66 -5.071 7.721 -1.913 1.00 0.00 C ATOM 941 O SER A 66 -5.681 6.745 -1.478 1.00 0.00 O ATOM 942 CB SER A 66 -6.374 9.711 -2.752 1.00 0.00 C ATOM 943 OG SER A 66 -7.585 10.248 -2.238 1.00 0.00 O ATOM 0 H SER A 66 -3.509 9.525 -1.180 1.00 0.00 H new ATOM 0 HA SER A 66 -6.166 9.093 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.810 10.485 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.588 8.928 -3.480 1.00 0.00 H new ATOM 0 HG SER A 66 -7.389 11.050 -1.710 1.00 0.00 H new ATOM 949 N SER A 67 -4.006 7.616 -2.711 1.00 0.00 N ATOM 950 CA SER A 67 -3.480 6.308 -3.123 1.00 0.00 C ATOM 951 C SER A 67 -1.966 6.241 -2.943 1.00 0.00 C ATOM 952 O SER A 67 -1.305 5.413 -3.563 1.00 0.00 O ATOM 953 CB SER A 67 -3.833 6.059 -4.598 1.00 0.00 C ATOM 954 OG SER A 67 -2.772 6.518 -5.426 1.00 0.00 O ATOM 0 H SER A 67 -3.492 8.414 -3.084 1.00 0.00 H new ATOM 0 HA SER A 67 -3.933 5.541 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.006 4.996 -4.767 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.757 6.577 -4.854 1.00 0.00 H new ATOM 0 HG SER A 67 -2.001 5.920 -5.332 1.00 0.00 H new ATOM 960 N GLU A 68 -1.419 7.106 -2.087 1.00 0.00 N ATOM 961 CA GLU A 68 0.028 7.118 -1.825 1.00 0.00 C ATOM 962 C GLU A 68 0.301 6.583 -0.424 1.00 0.00 C ATOM 963 O GLU A 68 -0.542 6.696 0.467 1.00 0.00 O ATOM 964 CB GLU A 68 0.585 8.544 -1.958 1.00 0.00 C ATOM 965 CG GLU A 68 -0.024 9.223 -3.186 1.00 0.00 C ATOM 966 CD GLU A 68 0.636 10.589 -3.390 1.00 0.00 C ATOM 967 OE1 GLU A 68 0.964 11.220 -2.399 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.803 10.979 -4.534 1.00 0.00 O ATOM 0 H GLU A 68 -1.949 7.804 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 68 0.523 6.481 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.356 9.119 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.671 8.514 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.121 8.601 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.099 9.342 -3.054 1.00 0.00 H new ATOM 975 N LEU A 69 1.487 5.999 -0.234 1.00 0.00 N ATOM 976 CA LEU A 69 1.881 5.439 1.066 1.00 0.00 C ATOM 977 C LEU A 69 3.151 6.111 1.557 1.00 0.00 C ATOM 978 O LEU A 69 4.240 5.860 1.050 1.00 0.00 O ATOM 979 CB LEU A 69 2.089 3.917 0.931 1.00 0.00 C ATOM 980 CG LEU A 69 2.679 3.270 2.219 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.222 3.454 2.320 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.995 3.845 3.474 1.00 0.00 C ATOM 0 H LEU A 69 2.193 5.901 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 69 1.091 5.622 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.135 3.444 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.757 3.719 0.092 1.00 0.00 H new ATOM 0 HG LEU A 69 2.481 2.200 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.585 2.986 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.701 2.988 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.461 4.517 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.420 3.382 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.155 4.922 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.926 3.638 3.432 1.00 0.00 H new ATOM 994 N ALA A 70 2.986 6.951 2.576 1.00 0.00 N ATOM 995 CA ALA A 70 4.109 7.665 3.188 1.00 0.00 C ATOM 996 C ALA A 70 4.574 6.915 4.428 1.00 0.00 C ATOM 997 O ALA A 70 3.756 6.454 5.225 1.00 0.00 O ATOM 998 CB ALA A 70 3.678 9.073 3.567 1.00 0.00 C ATOM 0 H ALA A 70 2.081 7.156 2.999 1.00 0.00 H new ATOM 0 HA ALA A 70 4.931 7.725 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.517 9.600 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.355 9.607 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.853 9.022 4.278 1.00 0.00 H new ATOM 1004 N ALA A 71 5.886 6.779 4.588 1.00 0.00 N ATOM 1005 CA ALA A 71 6.422 6.064 5.739 1.00 0.00 C ATOM 1006 C ALA A 71 7.914 6.314 5.895 1.00 0.00 C ATOM 1007 O ALA A 71 8.555 6.870 5.006 1.00 0.00 O ATOM 1008 CB ALA A 71 6.158 4.577 5.563 1.00 0.00 C ATOM 0 H ALA A 71 6.588 7.148 3.946 1.00 0.00 H new ATOM 0 HA ALA A 71 5.928 6.427 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.556 4.033 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.084 4.404 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.645 4.226 4.653 1.00 0.00 H new ATOM 1014 N GLU A 72 8.461 5.894 7.037 1.00 0.00 N ATOM 1015 CA GLU A 72 9.887 6.068 7.322 1.00 0.00 C ATOM 1016 C GLU A 72 10.608 4.718 7.303 1.00 0.00 C ATOM 1017 O GLU A 72 10.203 3.787 7.991 1.00 0.00 O ATOM 1018 CB GLU A 72 10.057 6.734 8.701 1.00 0.00 C ATOM 1019 CG GLU A 72 9.795 8.250 8.612 1.00 0.00 C ATOM 1020 CD GLU A 72 10.299 8.939 9.885 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.481 8.826 10.167 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.497 9.571 10.552 1.00 0.00 O ATOM 0 H GLU A 72 7.938 5.431 7.780 1.00 0.00 H new ATOM 0 HA GLU A 72 10.326 6.704 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.368 6.283 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.066 6.556 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.299 8.665 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.729 8.437 8.484 1.00 0.00 H new ATOM 1029 N CYS A 73 11.684 4.628 6.506 1.00 0.00 N ATOM 1030 CA CYS A 73 12.472 3.389 6.390 1.00 0.00 C ATOM 1031 C CYS A 73 13.943 3.650 6.710 1.00 0.00 C ATOM 1032 O CYS A 73 14.502 4.677 6.328 1.00 0.00 O ATOM 1033 CB CYS A 73 12.351 2.828 4.978 1.00 0.00 C ATOM 1034 SG CYS A 73 10.689 2.177 4.735 1.00 0.00 S ATOM 0 H CYS A 73 12.029 5.398 5.932 1.00 0.00 H new ATOM 0 HA CYS A 73 12.081 2.666 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.559 3.608 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.088 2.040 4.823 1.00 0.00 H new ATOM 1039 N LYS A 74 14.548 2.711 7.434 1.00 0.00 N ATOM 1040 CA LYS A 74 15.947 2.830 7.845 1.00 0.00 C ATOM 1041 C LYS A 74 16.913 2.594 6.678 1.00 0.00 C ATOM 1042 O LYS A 74 16.792 1.622 5.935 1.00 0.00 O ATOM 1043 CB LYS A 74 16.224 1.826 8.999 1.00 0.00 C ATOM 1044 CG LYS A 74 16.847 2.543 10.204 1.00 0.00 C ATOM 1045 CD LYS A 74 17.189 1.521 11.287 1.00 0.00 C ATOM 1046 CE LYS A 74 17.697 2.251 12.530 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.203 1.259 13.518 1.00 0.00 N ATOM 0 H LYS A 74 14.090 1.856 7.750 1.00 0.00 H new ATOM 0 HA LYS A 74 16.118 3.849 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.294 1.343 9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.894 1.040 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.746 3.078 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.153 3.286 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.309 0.928 11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.948 0.828 10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.491 2.946 12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.894 2.842 12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.548 1.756 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.433 0.613 13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.981 0.714 13.095 1.00 0.00 H new ATOM 1061 N THR A 75 17.871 3.509 6.540 1.00 0.00 N ATOM 1062 CA THR A 75 18.872 3.423 5.480 1.00 0.00 C ATOM 1063 C THR A 75 19.960 2.416 5.845 1.00 0.00 C ATOM 1064 O THR A 75 19.998 1.905 6.965 1.00 0.00 O ATOM 1065 CB THR A 75 19.534 4.794 5.231 1.00 0.00 C ATOM 1066 OG1 THR A 75 20.057 5.290 6.453 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.502 5.786 4.678 1.00 0.00 C ATOM 0 H THR A 75 17.975 4.320 7.151 1.00 0.00 H new ATOM 0 HA THR A 75 18.358 3.099 4.575 1.00 0.00 H new ATOM 0 HB THR A 75 20.338 4.676 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.841 5.849 6.270 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.980 6.750 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.101 5.407 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.691 5.906 5.397 1.00 0.00 H new ATOM 1075 N ALA A 76 20.842 2.134 4.890 1.00 0.00 N ATOM 1076 CA ALA A 76 21.926 1.184 5.118 1.00 0.00 C ATOM 1077 C ALA A 76 22.790 1.623 6.296 1.00 0.00 C ATOM 1078 O ALA A 76 23.417 0.798 6.959 1.00 0.00 O ATOM 1079 CB ALA A 76 22.781 1.069 3.865 1.00 0.00 C ATOM 0 H ALA A 76 20.828 2.547 3.957 1.00 0.00 H new ATOM 0 HA ALA A 76 21.492 0.212 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.589 0.359 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.166 0.721 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.202 2.044 3.621 1.00 0.00 H new ATOM 1085 N ALA A 77 22.821 2.928 6.547 1.00 0.00 N ATOM 1086 CA ALA A 77 23.615 3.475 7.645 1.00 0.00 C ATOM 1087 C ALA A 77 22.848 3.397 8.961 1.00 0.00 C ATOM 1088 O ALA A 77 23.432 3.539 10.035 1.00 0.00 O ATOM 1089 CB ALA A 77 23.970 4.923 7.346 1.00 0.00 C ATOM 0 H ALA A 77 22.308 3.625 6.008 1.00 0.00 H new ATOM 0 HA ALA A 77 24.526 2.884 7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.562 5.329 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.547 4.973 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.056 5.506 7.235 1.00 0.00 H new ATOM 1095 N GLY A 78 21.536 3.168 8.877 1.00 0.00 N ATOM 1096 CA GLY A 78 20.699 3.073 10.069 1.00 0.00 C ATOM 1097 C GLY A 78 19.983 4.380 10.364 1.00 0.00 C ATOM 1098 O GLY A 78 19.820 4.758 11.524 1.00 0.00 O ATOM 0 H GLY A 78 21.034 3.046 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.964 2.279 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.315 2.796 10.924 1.00 0.00 H new ATOM 1102 N GLN A 79 19.563 5.080 9.305 1.00 0.00 N ATOM 1103 CA GLN A 79 18.866 6.369 9.448 1.00 0.00 C ATOM 1104 C GLN A 79 17.520 6.339 8.730 1.00 0.00 C ATOM 1105 O GLN A 79 17.433 5.989 7.554 1.00 0.00 O ATOM 1106 CB GLN A 79 19.752 7.488 8.871 1.00 0.00 C ATOM 1107 CG GLN A 79 20.891 7.836 9.875 1.00 0.00 C ATOM 1108 CD GLN A 79 22.190 8.176 9.133 1.00 0.00 C ATOM 1109 OE1 GLN A 79 22.199 8.341 7.930 1.00 0.00 O ATOM 1110 NE2 GLN A 79 23.299 8.282 9.812 1.00 0.00 N ATOM 0 H GLN A 79 19.692 4.779 8.339 1.00 0.00 H new ATOM 0 HA GLN A 79 18.679 6.558 10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.179 7.171 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.149 8.374 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.590 8.681 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.060 6.993 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.293 8.144 10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.172 8.503 9.332 1.00 0.00 H new ATOM 1119 N PHE A 80 16.472 6.704 9.462 1.00 0.00 N ATOM 1120 CA PHE A 80 15.117 6.717 8.923 1.00 0.00 C ATOM 1121 C PHE A 80 14.884 7.942 8.031 1.00 0.00 C ATOM 1122 O PHE A 80 14.944 9.080 8.494 1.00 0.00 O ATOM 1123 CB PHE A 80 14.117 6.714 10.097 1.00 0.00 C ATOM 1124 CG PHE A 80 13.922 5.299 10.626 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.236 4.345 9.843 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.426 4.934 11.896 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.059 3.029 10.325 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.241 3.620 12.380 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.557 2.668 11.595 1.00 0.00 C ATOM 0 H PHE A 80 16.537 6.997 10.437 1.00 0.00 H new ATOM 0 HA PHE A 80 14.972 5.831 8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.482 7.360 10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.161 7.121 9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.846 4.622 8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.953 5.661 12.496 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.542 2.298 9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.623 3.344 13.352 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.415 1.664 11.966 1.00 0.00 H new ATOM 1139 N VAL A 81 14.592 7.688 6.750 1.00 0.00 N ATOM 1140 CA VAL A 81 14.314 8.758 5.778 1.00 0.00 C ATOM 1141 C VAL A 81 12.835 8.726 5.416 1.00 0.00 C ATOM 1142 O VAL A 81 12.135 7.807 5.812 1.00 0.00 O ATOM 1143 CB VAL A 81 15.143 8.572 4.494 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.622 8.797 4.810 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.947 7.152 3.958 1.00 0.00 C ATOM 0 H VAL A 81 14.541 6.747 6.359 1.00 0.00 H new ATOM 0 HA VAL A 81 14.582 9.713 6.230 1.00 0.00 H new ATOM 0 HB VAL A 81 14.816 9.290 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.212 8.666 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.763 9.808 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.947 8.077 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.534 7.022 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.274 6.432 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.893 6.990 3.735 1.00 0.00 H new ATOM 1155 N SER A 82 12.352 9.712 4.657 1.00 0.00 N ATOM 1156 CA SER A 82 10.935 9.746 4.266 1.00 0.00 C ATOM 1157 C SER A 82 10.727 9.051 2.926 1.00 0.00 C ATOM 1158 O SER A 82 11.200 9.527 1.894 1.00 0.00 O ATOM 1159 CB SER A 82 10.461 11.198 4.155 1.00 0.00 C ATOM 1160 OG SER A 82 10.412 11.778 5.450 1.00 0.00 O ATOM 0 H SER A 82 12.910 10.489 4.303 1.00 0.00 H new ATOM 0 HA SER A 82 10.359 9.224 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.138 11.765 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.476 11.236 3.690 1.00 0.00 H new ATOM 0 HG SER A 82 10.110 12.708 5.381 1.00 0.00 H new ATOM 1166 N THR A 83 10.029 7.913 2.945 1.00 0.00 N ATOM 1167 CA THR A 83 9.772 7.147 1.720 1.00 0.00 C ATOM 1168 C THR A 83 8.315 7.227 1.297 1.00 0.00 C ATOM 1169 O THR A 83 7.406 7.248 2.127 1.00 0.00 O ATOM 1170 CB THR A 83 10.104 5.662 1.922 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.139 5.080 2.789 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.501 5.508 2.532 1.00 0.00 C ATOM 0 H THR A 83 9.633 7.502 3.790 1.00 0.00 H new ATOM 0 HA THR A 83 10.407 7.586 0.951 1.00 0.00 H new ATOM 0 HB THR A 83 10.085 5.158 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.966 5.686 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.723 4.450 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.240 5.950 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.535 6.014 3.497 1.00 0.00 H new ATOM 1180 N LYS A 84 8.110 7.260 -0.018 1.00 0.00 N ATOM 1181 CA LYS A 84 6.769 7.323 -0.594 1.00 0.00 C ATOM 1182 C LYS A 84 6.659 6.371 -1.779 1.00 0.00 C ATOM 1183 O LYS A 84 7.660 6.014 -2.399 1.00 0.00 O ATOM 1184 CB LYS A 84 6.466 8.750 -1.064 1.00 0.00 C ATOM 1185 CG LYS A 84 7.617 9.278 -1.959 1.00 0.00 C ATOM 1186 CD LYS A 84 7.081 10.279 -2.995 1.00 0.00 C ATOM 1187 CE LYS A 84 6.513 11.514 -2.290 1.00 0.00 C ATOM 1188 NZ LYS A 84 5.906 12.421 -3.303 1.00 0.00 N ATOM 0 H LYS A 84 8.861 7.244 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 84 6.050 7.031 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.528 8.766 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.337 9.404 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.375 9.758 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.101 8.444 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.881 10.574 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.306 9.808 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.764 11.216 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.303 12.033 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.519 13.262 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.633 12.713 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.142 11.922 -3.802 1.00 0.00 H new ATOM 1202 N ILE A 85 5.434 5.982 -2.097 1.00 0.00 N ATOM 1203 CA ILE A 85 5.195 5.092 -3.222 1.00 0.00 C ATOM 1204 C ILE A 85 3.707 5.084 -3.550 1.00 0.00 C ATOM 1205 O ILE A 85 2.863 5.083 -2.653 1.00 0.00 O ATOM 1206 CB ILE A 85 5.705 3.665 -2.923 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.690 2.825 -4.211 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.835 2.999 -1.859 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.450 1.493 -4.003 1.00 0.00 C ATOM 0 H ILE A 85 4.593 6.267 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 85 5.749 5.457 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 85 6.726 3.731 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.661 2.620 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.148 3.388 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.208 1.994 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.869 3.587 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.806 2.940 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.428 0.913 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.484 1.703 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.974 0.923 -3.205 1.00 0.00 H new ATOM 1221 N ASN A 86 3.391 5.106 -4.841 1.00 0.00 N ATOM 1222 CA ASN A 86 1.999 5.136 -5.286 1.00 0.00 C ATOM 1223 C ASN A 86 1.392 3.732 -5.276 1.00 0.00 C ATOM 1224 O ASN A 86 1.801 2.863 -6.042 1.00 0.00 O ATOM 1225 CB ASN A 86 1.938 5.759 -6.704 1.00 0.00 C ATOM 1226 CG ASN A 86 0.735 6.706 -6.829 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.350 6.455 -6.150 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.791 7.685 -7.546 1.00 0.00 N flip ATOM 0 H ASN A 86 4.076 5.104 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 86 1.412 5.746 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.859 6.305 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.864 4.969 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.640 7.881 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.011 8.311 -7.617 1.00 0.00 H new ATOM 1235 N LEU A 87 0.390 3.543 -4.423 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.307 2.266 -4.312 1.00 0.00 C ATOM 1237 C LEU A 87 -1.052 1.945 -5.603 1.00 0.00 C ATOM 1238 O LEU A 87 -1.222 0.782 -5.963 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.297 2.354 -3.155 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.553 2.634 -1.837 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.569 2.979 -0.723 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.291 1.403 -1.419 1.00 0.00 C ATOM 0 H LEU A 87 0.040 4.265 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 87 0.418 1.472 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.022 3.145 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.856 1.422 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 87 0.117 3.481 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.036 3.176 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.137 3.864 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.251 2.141 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.810 1.618 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.364 0.543 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.021 1.181 -2.197 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.481 2.985 -6.302 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.201 2.801 -7.555 1.00 0.00 C ATOM 1256 C ASP A 88 -1.300 2.171 -8.608 1.00 0.00 C ATOM 1257 O ASP A 88 -1.776 1.682 -9.632 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.704 4.147 -8.075 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.540 5.126 -8.186 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.409 4.682 -8.086 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.798 6.303 -8.379 1.00 0.00 O ATOM 0 H ASP A 88 -1.345 3.958 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.045 2.139 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.176 4.017 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.464 4.546 -7.403 1.00 0.00 H new ATOM 1266 N ASP A 89 0.002 2.199 -8.360 1.00 0.00 N ATOM 1267 CA ASP A 89 0.958 1.641 -9.307 1.00 0.00 C ATOM 1268 C ASP A 89 0.699 0.151 -9.531 1.00 0.00 C ATOM 1269 O ASP A 89 1.020 -0.387 -10.592 1.00 0.00 O ATOM 1270 CB ASP A 89 2.389 1.862 -8.791 1.00 0.00 C ATOM 1271 CG ASP A 89 3.386 1.775 -9.953 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.184 0.941 -10.821 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.330 2.547 -9.955 1.00 0.00 O ATOM 0 H ASP A 89 0.418 2.598 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 89 0.838 2.151 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.464 2.837 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.632 1.114 -8.036 1.00 0.00 H new ATOM 1278 N HIS A 90 0.116 -0.517 -8.531 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.177 -1.951 -8.642 1.00 0.00 C ATOM 1280 C HIS A 90 -1.469 -2.313 -7.907 1.00 0.00 C ATOM 1281 O HIS A 90 -2.292 -3.062 -8.433 1.00 0.00 O ATOM 1282 CB HIS A 90 0.974 -2.774 -8.065 1.00 0.00 C ATOM 1283 CG HIS A 90 2.220 -2.561 -8.883 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.116 -1.539 -8.615 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.738 -3.242 -9.958 1.00 0.00 C ATOM 1286 CE1 HIS A 90 4.120 -1.634 -9.506 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.940 -2.655 -10.346 1.00 0.00 N ATOM 0 H HIS A 90 -0.160 -0.095 -7.645 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.300 -2.180 -9.701 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.155 -2.485 -7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.709 -3.831 -8.059 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.283 -4.100 -10.430 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.968 -0.966 -9.537 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.552 -2.944 -11.109 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.649 -1.787 -6.694 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.860 -2.085 -5.925 1.00 0.00 C ATOM 1297 C ILE A 91 -4.093 -1.793 -6.771 1.00 0.00 C ATOM 1298 O ILE A 91 -4.343 -0.649 -7.151 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.942 -1.244 -4.628 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.633 -1.385 -3.812 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.162 -1.686 -3.788 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.262 -2.857 -3.600 1.00 0.00 C ATOM 0 H ILE A 91 -0.987 -1.165 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.820 -3.140 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.066 -0.194 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.822 -0.875 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.750 -0.895 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.212 -1.089 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.074 -1.542 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.061 -2.739 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.339 -2.920 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.063 -3.360 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.120 -3.339 -4.567 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.864 -2.842 -7.060 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.084 -2.721 -7.866 1.00 0.00 C ATOM 1316 C ALA A 92 -7.294 -3.137 -7.045 1.00 0.00 C ATOM 1317 O ALA A 92 -7.166 -3.508 -5.878 1.00 0.00 O ATOM 1318 CB ALA A 92 -5.984 -3.622 -9.077 1.00 0.00 C ATOM 0 H ALA A 92 -4.665 -3.792 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.195 -1.683 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.891 -3.531 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.123 -3.330 -9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.866 -4.656 -8.753 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.469 -3.086 -7.669 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.717 -3.470 -7.007 1.00 0.00 C ATOM 1326 C ASN A 93 -10.409 -4.571 -7.799 1.00 0.00 C ATOM 1327 O ASN A 93 -10.761 -4.379 -8.962 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.646 -2.264 -6.914 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.852 -2.607 -6.038 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.705 -3.185 -4.978 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.047 -2.271 -6.439 1.00 0.00 N ATOM 0 H ASN A 93 -8.584 -2.782 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.485 -3.833 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.111 -1.412 -6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.979 -1.972 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.859 -2.493 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.169 -1.786 -7.328 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.605 -5.725 -7.162 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.263 -6.868 -7.804 1.00 0.00 C ATOM 1340 C ILE A 94 -12.589 -7.159 -7.106 1.00 0.00 C ATOM 1341 O ILE A 94 -12.618 -7.514 -5.928 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.372 -8.128 -7.719 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.948 -7.790 -8.219 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.987 -9.286 -8.544 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.984 -7.184 -9.630 1.00 0.00 C ATOM 0 H ILE A 94 -10.317 -5.896 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.435 -6.618 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.312 -8.454 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.475 -7.089 -7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.337 -8.693 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.346 -10.164 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.976 -9.526 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.073 -8.984 -9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.969 -6.957 -9.954 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.435 -7.897 -10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.574 -6.268 -9.618 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.682 -6.995 -7.842 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.017 -7.232 -7.298 1.00 0.00 C ATOM 1359 C ASP A 95 -15.180 -6.585 -5.921 1.00 0.00 C ATOM 1360 O ASP A 95 -15.955 -7.060 -5.090 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.303 -8.737 -7.219 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.485 -9.378 -6.097 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.852 -9.201 -4.947 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -13.507 -10.038 -6.405 1.00 0.00 O ATOM 0 H ASP A 95 -13.672 -6.699 -8.818 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.739 -6.771 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.366 -8.903 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.060 -9.210 -8.170 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.458 -5.486 -5.696 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.534 -4.756 -4.434 1.00 0.00 C ATOM 1371 C GLY A 96 -13.539 -5.242 -3.401 1.00 0.00 C ATOM 1372 O GLY A 96 -13.741 -5.053 -2.201 1.00 0.00 O ATOM 0 H GLY A 96 -13.813 -5.083 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.362 -3.697 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.542 -4.848 -4.029 1.00 0.00 H new ATOM 1376 N THR A 97 -12.456 -5.864 -3.862 1.00 0.00 N ATOM 1377 CA THR A 97 -11.411 -6.375 -2.965 1.00 0.00 C ATOM 1378 C THR A 97 -10.065 -5.791 -3.366 1.00 0.00 C ATOM 1379 O THR A 97 -9.788 -5.633 -4.548 1.00 0.00 O ATOM 1380 CB THR A 97 -11.324 -7.909 -3.048 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.974 -8.288 -4.370 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.678 -8.521 -2.682 1.00 0.00 C ATOM 0 H THR A 97 -12.275 -6.029 -4.852 1.00 0.00 H new ATOM 0 HA THR A 97 -11.664 -6.084 -1.945 1.00 0.00 H new ATOM 0 HB THR A 97 -10.566 -8.269 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.776 -8.291 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.614 -9.608 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.947 -8.228 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.438 -8.164 -3.376 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.216 -5.487 -2.386 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.895 -4.932 -2.683 1.00 0.00 C ATOM 1392 C LEU A 98 -6.908 -6.054 -2.968 1.00 0.00 C ATOM 1393 O LEU A 98 -6.742 -6.966 -2.159 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.383 -4.113 -1.495 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.442 -3.089 -1.053 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.945 -2.334 0.200 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.710 -2.088 -2.195 1.00 0.00 C ATOM 0 H LEU A 98 -9.414 -5.613 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.984 -4.289 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.141 -4.777 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.463 -3.598 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.368 -3.612 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.698 -1.609 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.771 -3.045 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.016 -1.815 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.461 -1.365 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.787 -1.566 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.072 -2.625 -3.072 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.243 -5.977 -4.119 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.258 -6.989 -4.503 1.00 0.00 C ATOM 1411 C LYS A 99 -4.116 -6.344 -5.272 1.00 0.00 C ATOM 1412 O LYS A 99 -4.250 -5.242 -5.799 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.908 -8.066 -5.377 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.900 -8.887 -4.546 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.335 -10.129 -5.338 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.578 -10.749 -4.694 1.00 0.00 C ATOM 1417 NZ LYS A 99 -9.071 -11.868 -5.544 1.00 0.00 N ATOM 0 H LYS A 99 -6.367 -5.228 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.871 -7.450 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.423 -7.602 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.142 -8.720 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.440 -9.187 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.770 -8.280 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.548 -9.856 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.525 -10.858 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.339 -11.115 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.356 -9.995 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.915 -12.290 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.314 -11.506 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.329 -12.591 -5.631 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.988 -7.046 -5.327 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.804 -6.556 -6.031 1.00 0.00 C ATOM 1433 C TYR A 100 -1.768 -7.113 -7.451 1.00 0.00 C ATOM 1434 O TYR A 100 -2.010 -8.300 -7.668 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.549 -6.993 -5.265 1.00 0.00 C ATOM 1436 CG TYR A 100 0.697 -6.638 -6.046 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.291 -5.369 -5.890 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.272 -7.581 -6.924 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.460 -5.044 -6.609 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.441 -7.252 -7.645 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.034 -5.982 -7.487 1.00 0.00 C ATOM 1442 OH TYR A 100 4.265 -5.722 -8.052 1.00 0.00 O ATOM 0 H TYR A 100 -2.867 -7.960 -4.891 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.839 -5.468 -6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.524 -6.509 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.580 -8.068 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.851 -4.646 -5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.819 -8.554 -7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.916 -4.073 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.881 -7.973 -8.318 1.00 0.00 H new ATOM 0 HH TYR A 100 4.522 -6.468 -8.633 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.458 -6.245 -8.415 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.380 -6.643 -9.826 1.00 0.00 C ATOM 1454 C GLU A 101 0.019 -6.372 -10.366 1.00 0.00 C ATOM 1455 O GLU A 101 0.275 -6.742 -11.500 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.398 -5.850 -10.651 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.830 -6.153 -10.172 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.330 -7.475 -10.763 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.507 -8.277 -11.167 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.536 -7.657 -10.805 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.773 -5.700 -9.683 1.00 0.00 O ATOM 0 H GLU A 101 -1.256 -5.259 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.601 -7.708 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.196 -4.783 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.299 -6.106 -11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.852 -6.204 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.496 -5.342 -10.466 1.00 0.00 H new TER 1468 GLU A 101