USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 926 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 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Set 2.1: A 56 THR OG1 : rot -90:sc= 0.463 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= 0.992 F(o=0.096,f=1.5) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -90:sc= 0.597 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.079) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000349) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.6) USER MOD Single : A 41 MET CE :methyl -163:sc= 0 (180deg=-0.0307) USER MOD Single : A 43 ASN :FLIP amide:sc= -3.58 F(o=-4.5,f=-3.6) USER MOD Single : A 45 SER OG : rot 84:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot -74:sc= 1.09 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -8:sc= 0.36! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -74:sc= 0.0952 USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -1.27 (180deg=-4.49!) USER MOD Single : A 98 MET CE :methyl -149:sc= -0.205 (180deg=-1.18) USER MOD Single : A 99 THR OG1 : rot -123:sc= -3.92! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 108 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.3!) USER MOD Single : A 109 MET CE :methyl -115:sc= -0.0738 (180deg=-2.58!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.4 USER MOD Single : A 112 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.39) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 8.317 5.391 -5.661 1.00 13.00 N ATOM 2 CA GLY A 2 7.340 4.321 -5.601 1.00 45.03 C ATOM 3 C GLY A 2 7.443 3.510 -4.324 1.00 11.55 C ATOM 4 O GLY A 2 8.367 2.716 -4.159 1.00 10.32 O ATOM 0 HA2 GLY A 2 6.338 4.744 -5.679 1.00 45.03 H new ATOM 0 HA3 GLY A 2 7.476 3.661 -6.458 1.00 45.03 H new ATOM 8 N ASN A 3 6.492 3.713 -3.418 1.00 15.30 N ATOM 9 CA ASN A 3 6.482 2.997 -2.148 1.00 44.24 C ATOM 10 C ASN A 3 5.897 1.599 -2.317 1.00 43.02 C ATOM 11 O ASN A 3 6.350 0.644 -1.685 1.00 61.45 O ATOM 12 CB ASN A 3 5.677 3.776 -1.105 1.00 1.11 C ATOM 13 CG ASN A 3 6.512 4.163 0.100 1.00 33.14 C ATOM 14 OD1 ASN A 3 6.663 3.382 1.040 1.00 1.45 O ATOM 15 ND2 ASN A 3 7.059 5.372 0.077 1.00 2.13 N ATOM 0 H ASN A 3 5.719 4.367 -3.540 1.00 15.30 H new ATOM 0 HA ASN A 3 7.512 2.902 -1.805 1.00 44.24 H new ATOM 0 HB2 ASN A 3 5.268 4.676 -1.564 1.00 1.11 H new ATOM 0 HB3 ASN A 3 4.831 3.172 -0.778 1.00 1.11 H new ATOM 0 HD21 ASN A 3 7.632 5.688 0.860 1.00 2.13 H new ATOM 0 HD22 ASN A 3 6.907 5.986 -0.723 1.00 2.13 H new ATOM 22 N LEU A 4 4.888 1.485 -3.173 1.00 24.54 N ATOM 23 CA LEU A 4 4.241 0.202 -3.428 1.00 11.13 C ATOM 24 C LEU A 4 5.271 -0.870 -3.767 1.00 30.44 C ATOM 25 O LEU A 4 6.448 -0.573 -3.978 1.00 54.34 O ATOM 26 CB LEU A 4 3.232 0.336 -4.570 1.00 73.35 C ATOM 27 CG LEU A 4 3.622 1.283 -5.704 1.00 11.23 C ATOM 28 CD1 LEU A 4 5.042 1.001 -6.171 1.00 74.35 C ATOM 29 CD2 LEU A 4 2.643 1.161 -6.862 1.00 32.35 C ATOM 0 H LEU A 4 4.500 2.265 -3.703 1.00 24.54 H new ATOM 0 HA LEU A 4 3.717 -0.099 -2.521 1.00 11.13 H new ATOM 0 HB2 LEU A 4 3.060 -0.654 -4.993 1.00 73.35 H new ATOM 0 HB3 LEU A 4 2.284 0.674 -4.152 1.00 73.35 H new ATOM 0 HG LEU A 4 3.582 2.305 -5.328 1.00 11.23 H new ATOM 0 HD11 LEU A 4 5.302 1.685 -6.979 1.00 74.35 H new ATOM 0 HD12 LEU A 4 5.733 1.142 -5.340 1.00 74.35 H new ATOM 0 HD13 LEU A 4 5.110 -0.026 -6.529 1.00 74.35 H new ATOM 0 HD21 LEU A 4 2.937 1.843 -7.660 1.00 32.35 H new ATOM 0 HD22 LEU A 4 2.650 0.138 -7.238 1.00 32.35 H new ATOM 0 HD23 LEU A 4 1.640 1.415 -6.519 1.00 32.35 H new ATOM 41 N LYS A 5 4.822 -2.120 -3.821 1.00 4.22 N ATOM 42 CA LYS A 5 5.703 -3.237 -4.139 1.00 53.43 C ATOM 43 C LYS A 5 6.136 -3.191 -5.601 1.00 4.01 C ATOM 44 O LYS A 5 5.374 -2.769 -6.471 1.00 43.24 O ATOM 45 CB LYS A 5 5.002 -4.565 -3.846 1.00 44.52 C ATOM 46 CG LYS A 5 4.458 -4.667 -2.432 1.00 54.34 C ATOM 47 CD LYS A 5 3.421 -5.771 -2.310 1.00 12.40 C ATOM 48 CE LYS A 5 2.116 -5.249 -1.728 1.00 63.32 C ATOM 49 NZ LYS A 5 1.021 -6.251 -1.837 1.00 65.11 N ATOM 0 H LYS A 5 3.852 -2.384 -3.648 1.00 4.22 H new ATOM 0 HA LYS A 5 6.591 -3.155 -3.513 1.00 53.43 H new ATOM 0 HB2 LYS A 5 4.182 -4.697 -4.552 1.00 44.52 H new ATOM 0 HB3 LYS A 5 5.704 -5.382 -4.016 1.00 44.52 H new ATOM 0 HG2 LYS A 5 5.277 -4.859 -1.739 1.00 54.34 H new ATOM 0 HG3 LYS A 5 4.012 -3.715 -2.143 1.00 54.34 H new ATOM 0 HD2 LYS A 5 3.234 -6.206 -3.292 1.00 12.40 H new ATOM 0 HD3 LYS A 5 3.810 -6.568 -1.677 1.00 12.40 H new ATOM 0 HE2 LYS A 5 2.265 -4.986 -0.681 1.00 63.32 H new ATOM 0 HE3 LYS A 5 1.826 -4.336 -2.248 1.00 63.32 H new ATOM 0 HZ1 LYS A 5 0.149 -5.858 -1.430 1.00 65.11 H new ATOM 0 HZ2 LYS A 5 0.861 -6.483 -2.838 1.00 65.11 H new ATOM 0 HZ3 LYS A 5 1.287 -7.113 -1.320 1.00 65.11 H new ATOM 63 N SER A 6 7.363 -3.627 -5.864 1.00 64.24 N ATOM 64 CA SER A 6 7.898 -3.633 -7.221 1.00 44.13 C ATOM 65 C SER A 6 7.201 -4.689 -8.075 1.00 12.22 C ATOM 66 O SER A 6 7.291 -4.668 -9.303 1.00 12.41 O ATOM 67 CB SER A 6 9.405 -3.894 -7.196 1.00 43.23 C ATOM 68 OG SER A 6 10.133 -2.696 -7.402 1.00 1.41 O ATOM 0 H SER A 6 8.006 -3.981 -5.156 1.00 64.24 H new ATOM 0 HA SER A 6 7.713 -2.654 -7.663 1.00 44.13 H new ATOM 0 HB2 SER A 6 9.685 -4.334 -6.239 1.00 43.23 H new ATOM 0 HB3 SER A 6 9.665 -4.618 -7.968 1.00 43.23 H new ATOM 0 HG SER A 6 11.094 -2.889 -7.380 1.00 1.41 H new ATOM 74 N ARG A 7 6.508 -5.611 -7.415 1.00 25.12 N ATOM 75 CA ARG A 7 5.797 -6.676 -8.112 1.00 22.25 C ATOM 76 C ARG A 7 4.511 -6.150 -8.742 1.00 4.54 C ATOM 77 O ARG A 7 4.393 -6.075 -9.966 1.00 12.22 O ATOM 78 CB ARG A 7 5.474 -7.820 -7.148 1.00 10.24 C ATOM 79 CG ARG A 7 6.124 -9.140 -7.529 1.00 33.24 C ATOM 80 CD ARG A 7 5.090 -10.243 -7.690 1.00 30.01 C ATOM 81 NE ARG A 7 5.634 -11.556 -7.356 1.00 20.10 N ATOM 82 CZ ARG A 7 6.470 -12.226 -8.141 1.00 63.51 C ATOM 83 NH1 ARG A 7 6.856 -11.709 -9.300 1.00 71.33 N ATOM 84 NH2 ARG A 7 6.923 -13.417 -7.769 1.00 51.13 N ATOM 0 H ARG A 7 6.424 -5.642 -6.399 1.00 25.12 H new ATOM 0 HA ARG A 7 6.444 -7.050 -8.906 1.00 22.25 H new ATOM 0 HB2 ARG A 7 5.798 -7.541 -6.145 1.00 10.24 H new ATOM 0 HB3 ARG A 7 4.393 -7.955 -7.107 1.00 10.24 H new ATOM 0 HG2 ARG A 7 6.677 -9.019 -8.461 1.00 33.24 H new ATOM 0 HG3 ARG A 7 6.846 -9.425 -6.764 1.00 33.24 H new ATOM 0 HD2 ARG A 7 4.233 -10.032 -7.050 1.00 30.01 H new ATOM 0 HD3 ARG A 7 4.727 -10.252 -8.718 1.00 30.01 H new ATOM 0 HE ARG A 7 5.357 -11.982 -6.472 1.00 20.10 H new ATOM 0 HH11 ARG A 7 6.511 -10.794 -9.591 1.00 71.33 H new ATOM 0 HH12 ARG A 7 7.498 -12.226 -9.901 1.00 71.33 H new ATOM 0 HH21 ARG A 7 6.629 -13.819 -6.879 1.00 51.13 H new ATOM 0 HH22 ARG A 7 7.565 -13.930 -8.373 1.00 51.13 H new ATOM 98 N ASP A 8 3.551 -5.787 -7.899 1.00 61.44 N ATOM 99 CA ASP A 8 2.273 -5.268 -8.373 1.00 10.15 C ATOM 100 C ASP A 8 2.477 -4.012 -9.216 1.00 44.35 C ATOM 101 O ASP A 8 1.746 -3.773 -10.178 1.00 33.51 O ATOM 102 CB ASP A 8 1.354 -4.959 -7.190 1.00 24.14 C ATOM 103 CG ASP A 8 -0.112 -4.968 -7.580 1.00 55.00 C ATOM 104 OD1 ASP A 8 -0.496 -5.801 -8.426 1.00 43.05 O ATOM 105 OD2 ASP A 8 -0.874 -4.141 -7.036 1.00 71.02 O ATOM 0 H ASP A 8 3.633 -5.842 -6.884 1.00 61.44 H new ATOM 0 HA ASP A 8 1.806 -6.031 -8.996 1.00 10.15 H new ATOM 0 HB2 ASP A 8 1.522 -5.692 -6.401 1.00 24.14 H new ATOM 0 HB3 ASP A 8 1.612 -3.983 -6.778 1.00 24.14 H new ATOM 110 N TRP A 9 3.472 -3.214 -8.848 1.00 74.10 N ATOM 111 CA TRP A 9 3.770 -1.982 -9.570 1.00 75.40 C ATOM 112 C TRP A 9 4.267 -2.284 -10.980 1.00 55.51 C ATOM 113 O TRP A 9 3.720 -1.783 -11.963 1.00 12.40 O ATOM 114 CB TRP A 9 4.817 -1.162 -8.812 1.00 64.24 C ATOM 115 CG TRP A 9 5.293 0.039 -9.570 1.00 20.15 C ATOM 116 CD1 TRP A 9 6.589 0.412 -9.784 1.00 52.50 C ATOM 117 CD2 TRP A 9 4.478 1.026 -10.211 1.00 43.13 C ATOM 118 NE1 TRP A 9 6.628 1.572 -10.521 1.00 74.42 N ATOM 119 CE2 TRP A 9 5.347 1.968 -10.796 1.00 2.42 C ATOM 120 CE3 TRP A 9 3.099 1.204 -10.351 1.00 13.04 C ATOM 121 CZ2 TRP A 9 4.880 3.071 -11.507 1.00 55.33 C ATOM 122 CZ3 TRP A 9 2.637 2.300 -11.056 1.00 60.33 C ATOM 123 CH2 TRP A 9 3.525 3.222 -11.627 1.00 75.45 C ATOM 0 H TRP A 9 4.086 -3.397 -8.054 1.00 74.10 H new ATOM 0 HA TRP A 9 2.850 -1.403 -9.645 1.00 75.40 H new ATOM 0 HB2 TRP A 9 4.395 -0.838 -7.860 1.00 64.24 H new ATOM 0 HB3 TRP A 9 5.671 -1.800 -8.582 1.00 64.24 H new ATOM 0 HD1 TRP A 9 7.455 -0.125 -9.427 1.00 52.50 H new ATOM 0 HE1 TRP A 9 7.475 2.059 -10.815 1.00 74.42 H new ATOM 0 HE3 TRP A 9 2.407 0.498 -9.916 1.00 13.04 H new ATOM 0 HZ2 TRP A 9 5.563 3.782 -11.948 1.00 55.33 H new ATOM 0 HZ3 TRP A 9 1.573 2.448 -11.169 1.00 60.33 H new ATOM 0 HH2 TRP A 9 3.132 4.068 -12.172 1.00 75.45 H new ATOM 134 N LYS A 10 5.306 -3.106 -11.073 1.00 34.10 N ATOM 135 CA LYS A 10 5.877 -3.477 -12.362 1.00 21.23 C ATOM 136 C LYS A 10 4.795 -3.988 -13.309 1.00 41.40 C ATOM 137 O LYS A 10 4.814 -3.694 -14.504 1.00 32.31 O ATOM 138 CB LYS A 10 6.955 -4.547 -12.178 1.00 0.51 C ATOM 139 CG LYS A 10 7.522 -5.071 -13.487 1.00 10.51 C ATOM 140 CD LYS A 10 8.988 -5.446 -13.349 1.00 71.32 C ATOM 141 CE LYS A 10 9.738 -5.255 -14.658 1.00 41.31 C ATOM 142 NZ LYS A 10 10.576 -6.438 -14.995 1.00 61.53 N ATOM 0 H LYS A 10 5.771 -3.529 -10.269 1.00 34.10 H new ATOM 0 HA LYS A 10 6.329 -2.587 -12.800 1.00 21.23 H new ATOM 0 HB2 LYS A 10 7.767 -4.134 -11.580 1.00 0.51 H new ATOM 0 HB3 LYS A 10 6.536 -5.380 -11.614 1.00 0.51 H new ATOM 0 HG2 LYS A 10 6.951 -5.942 -13.809 1.00 10.51 H new ATOM 0 HG3 LYS A 10 7.411 -4.313 -14.262 1.00 10.51 H new ATOM 0 HD2 LYS A 10 9.449 -4.836 -12.572 1.00 71.32 H new ATOM 0 HD3 LYS A 10 9.070 -6.485 -13.030 1.00 71.32 H new ATOM 0 HE2 LYS A 10 9.025 -5.074 -15.462 1.00 41.31 H new ATOM 0 HE3 LYS A 10 10.370 -4.370 -14.588 1.00 41.31 H new ATOM 0 HZ1 LYS A 10 11.071 -6.268 -15.894 1.00 61.53 H new ATOM 0 HZ2 LYS A 10 11.274 -6.596 -14.240 1.00 61.53 H new ATOM 0 HZ3 LYS A 10 9.970 -7.278 -15.087 1.00 61.53 H new ATOM 156 N MET A 11 3.853 -4.751 -12.766 1.00 74.44 N ATOM 157 CA MET A 11 2.762 -5.300 -13.563 1.00 30.11 C ATOM 158 C MET A 11 1.816 -4.196 -14.024 1.00 31.22 C ATOM 159 O MET A 11 1.289 -4.241 -15.135 1.00 2.10 O ATOM 160 CB MET A 11 1.989 -6.346 -12.756 1.00 40.23 C ATOM 161 CG MET A 11 2.802 -7.588 -12.433 1.00 33.43 C ATOM 162 SD MET A 11 2.059 -8.586 -11.128 1.00 63.12 S ATOM 163 CE MET A 11 0.795 -9.459 -12.049 1.00 64.34 C ATOM 0 H MET A 11 3.823 -5.003 -11.778 1.00 74.44 H new ATOM 0 HA MET A 11 3.193 -5.776 -14.444 1.00 30.11 H new ATOM 0 HB2 MET A 11 1.646 -5.894 -11.825 1.00 40.23 H new ATOM 0 HB3 MET A 11 1.100 -6.639 -13.314 1.00 40.23 H new ATOM 0 HG2 MET A 11 2.906 -8.194 -13.333 1.00 33.43 H new ATOM 0 HG3 MET A 11 3.806 -7.291 -12.131 1.00 33.43 H new ATOM 0 HE1 MET A 11 0.246 -10.119 -11.378 1.00 64.34 H new ATOM 0 HE2 MET A 11 0.107 -8.740 -12.494 1.00 64.34 H new ATOM 0 HE3 MET A 11 1.262 -10.050 -12.837 1.00 64.34 H new ATOM 173 N ALA A 12 1.607 -3.206 -13.163 1.00 3.24 N ATOM 174 CA ALA A 12 0.726 -2.088 -13.484 1.00 71.13 C ATOM 175 C ALA A 12 1.241 -1.312 -14.691 1.00 20.21 C ATOM 176 O ALA A 12 0.492 -1.037 -15.630 1.00 75.33 O ATOM 177 CB ALA A 12 0.585 -1.166 -12.282 1.00 51.31 C ATOM 0 H ALA A 12 2.035 -3.154 -12.238 1.00 3.24 H new ATOM 0 HA ALA A 12 -0.255 -2.491 -13.736 1.00 71.13 H new ATOM 0 HB1 ALA A 12 -0.075 -0.336 -12.535 1.00 51.31 H new ATOM 0 HB2 ALA A 12 0.164 -1.722 -11.444 1.00 51.31 H new ATOM 0 HB3 ALA A 12 1.565 -0.778 -12.004 1.00 51.31 H new ATOM 183 N ILE A 13 2.522 -0.961 -14.659 1.00 24.22 N ATOM 184 CA ILE A 13 3.136 -0.216 -15.752 1.00 73.12 C ATOM 185 C ILE A 13 3.403 -1.119 -16.951 1.00 63.11 C ATOM 186 O ILE A 13 3.393 -0.669 -18.097 1.00 12.23 O ATOM 187 CB ILE A 13 4.459 0.439 -15.313 1.00 72.24 C ATOM 188 CG1 ILE A 13 4.187 1.571 -14.320 1.00 31.51 C ATOM 189 CG2 ILE A 13 5.219 0.961 -16.524 1.00 71.13 C ATOM 190 CD1 ILE A 13 3.412 2.725 -14.915 1.00 50.34 C ATOM 0 H ILE A 13 3.154 -1.180 -13.889 1.00 24.22 H new ATOM 0 HA ILE A 13 2.430 0.564 -16.038 1.00 73.12 H new ATOM 0 HB ILE A 13 5.074 -0.313 -14.819 1.00 72.24 H new ATOM 0 HG12 ILE A 13 3.633 1.172 -13.470 1.00 31.51 H new ATOM 0 HG13 ILE A 13 5.137 1.942 -13.936 1.00 31.51 H new ATOM 0 HG21 ILE A 13 6.152 1.421 -16.198 1.00 71.13 H new ATOM 0 HG22 ILE A 13 5.439 0.134 -17.200 1.00 71.13 H new ATOM 0 HG23 ILE A 13 4.611 1.702 -17.043 1.00 71.13 H new ATOM 0 HD11 ILE A 13 3.256 3.490 -14.154 1.00 50.34 H new ATOM 0 HD12 ILE A 13 3.974 3.150 -15.747 1.00 50.34 H new ATOM 0 HD13 ILE A 13 2.447 2.368 -15.274 1.00 50.34 H new ATOM 202 N LYS A 14 3.639 -2.399 -16.680 1.00 21.13 N ATOM 203 CA LYS A 14 3.906 -3.368 -17.737 1.00 42.01 C ATOM 204 C LYS A 14 2.724 -3.466 -18.696 1.00 21.02 C ATOM 205 O LYS A 14 2.894 -3.405 -19.914 1.00 55.11 O ATOM 206 CB LYS A 14 4.201 -4.743 -17.132 1.00 3.43 C ATOM 207 CG LYS A 14 4.328 -5.847 -18.168 1.00 53.13 C ATOM 208 CD LYS A 14 5.400 -6.853 -17.780 1.00 10.42 C ATOM 209 CE LYS A 14 4.807 -8.233 -17.540 1.00 33.52 C ATOM 210 NZ LYS A 14 5.031 -9.142 -18.699 1.00 53.33 N ATOM 0 H LYS A 14 3.651 -2.789 -15.738 1.00 21.13 H new ATOM 0 HA LYS A 14 4.778 -3.028 -18.296 1.00 42.01 H new ATOM 0 HB2 LYS A 14 5.125 -4.687 -16.557 1.00 3.43 H new ATOM 0 HB3 LYS A 14 3.406 -5.002 -16.433 1.00 3.43 H new ATOM 0 HG2 LYS A 14 3.371 -6.357 -18.277 1.00 53.13 H new ATOM 0 HG3 LYS A 14 4.570 -5.412 -19.138 1.00 53.13 H new ATOM 0 HD2 LYS A 14 6.150 -6.910 -18.569 1.00 10.42 H new ATOM 0 HD3 LYS A 14 5.911 -6.513 -16.879 1.00 10.42 H new ATOM 0 HE2 LYS A 14 5.252 -8.669 -16.645 1.00 33.52 H new ATOM 0 HE3 LYS A 14 3.737 -8.141 -17.352 1.00 33.52 H new ATOM 0 HZ1 LYS A 14 4.612 -10.072 -18.497 1.00 53.33 H new ATOM 0 HZ2 LYS A 14 4.585 -8.739 -19.548 1.00 53.33 H new ATOM 0 HZ3 LYS A 14 6.052 -9.250 -18.863 1.00 53.33 H new ATOM 224 N ARG A 15 1.526 -3.616 -18.139 1.00 23.42 N ATOM 225 CA ARG A 15 0.316 -3.721 -18.947 1.00 75.41 C ATOM 226 C ARG A 15 -0.110 -2.352 -19.468 1.00 64.12 C ATOM 227 O ARG A 15 -0.628 -2.234 -20.580 1.00 43.43 O ATOM 228 CB ARG A 15 -0.816 -4.342 -18.127 1.00 33.21 C ATOM 229 CG ARG A 15 -0.936 -5.848 -18.296 1.00 22.35 C ATOM 230 CD ARG A 15 0.021 -6.590 -17.378 1.00 33.41 C ATOM 231 NE ARG A 15 0.219 -7.975 -17.796 1.00 11.15 N ATOM 232 CZ ARG A 15 0.679 -8.928 -16.992 1.00 2.34 C ATOM 233 NH1 ARG A 15 0.986 -8.645 -15.733 1.00 33.42 N ATOM 234 NH2 ARG A 15 0.832 -10.164 -17.446 1.00 44.00 N ATOM 0 H ARG A 15 1.367 -3.667 -17.133 1.00 23.42 H new ATOM 0 HA ARG A 15 0.533 -4.363 -19.801 1.00 75.41 H new ATOM 0 HB2 ARG A 15 -0.656 -4.115 -17.073 1.00 33.21 H new ATOM 0 HB3 ARG A 15 -1.759 -3.876 -18.414 1.00 33.21 H new ATOM 0 HG2 ARG A 15 -1.959 -6.158 -18.084 1.00 22.35 H new ATOM 0 HG3 ARG A 15 -0.730 -6.116 -19.332 1.00 22.35 H new ATOM 0 HD2 ARG A 15 0.982 -6.075 -17.364 1.00 33.41 H new ATOM 0 HD3 ARG A 15 -0.366 -6.571 -16.359 1.00 33.41 H new ATOM 0 HE ARG A 15 -0.008 -8.225 -18.758 1.00 11.15 H new ATOM 0 HH11 ARG A 15 0.869 -7.695 -15.381 1.00 33.42 H new ATOM 0 HH12 ARG A 15 1.339 -9.377 -15.117 1.00 33.42 H new ATOM 0 HH21 ARG A 15 0.597 -10.385 -18.414 1.00 44.00 H new ATOM 0 HH22 ARG A 15 1.185 -10.894 -16.828 1.00 44.00 H new ATOM 248 N CYS A 16 0.111 -1.322 -18.660 1.00 1.02 N ATOM 249 CA CYS A 16 -0.252 0.039 -19.040 1.00 75.01 C ATOM 250 C CYS A 16 0.358 0.408 -20.388 1.00 44.34 C ATOM 251 O CYS A 16 -0.300 1.017 -21.232 1.00 70.11 O ATOM 252 CB CYS A 16 0.211 1.029 -17.970 1.00 14.15 C ATOM 253 SG CYS A 16 -1.128 1.698 -16.954 1.00 64.21 S ATOM 0 H CYS A 16 0.540 -1.403 -17.738 1.00 1.02 H new ATOM 0 HA CYS A 16 -1.337 0.089 -19.127 1.00 75.01 H new ATOM 0 HB2 CYS A 16 0.933 0.534 -17.320 1.00 14.15 H new ATOM 0 HB3 CYS A 16 0.732 1.855 -18.455 1.00 14.15 H new ATOM 0 HG CYS A 16 -1.583 2.788 -17.498 1.00 64.21 H new ATOM 259 N SER A 17 1.619 0.037 -20.584 1.00 31.10 N ATOM 260 CA SER A 17 2.319 0.334 -21.828 1.00 14.14 C ATOM 261 C SER A 17 1.595 -0.285 -23.020 1.00 53.34 C ATOM 262 O SER A 17 1.763 0.151 -24.157 1.00 34.14 O ATOM 263 CB SER A 17 3.757 -0.184 -21.765 1.00 14.20 C ATOM 264 OG SER A 17 4.669 0.779 -22.266 1.00 42.14 O ATOM 0 H SER A 17 2.177 -0.470 -19.897 1.00 31.10 H new ATOM 0 HA SER A 17 2.336 1.416 -21.957 1.00 14.14 H new ATOM 0 HB2 SER A 17 4.013 -0.430 -20.735 1.00 14.20 H new ATOM 0 HB3 SER A 17 3.841 -1.104 -22.343 1.00 14.20 H new ATOM 0 HG SER A 17 5.581 0.424 -22.213 1.00 42.14 H new ATOM 270 N ASN A 18 0.789 -1.307 -22.748 1.00 3.43 N ATOM 271 CA ASN A 18 0.039 -1.988 -23.798 1.00 14.41 C ATOM 272 C ASN A 18 -1.379 -1.432 -23.902 1.00 34.24 C ATOM 273 O ASN A 18 -2.303 -2.133 -24.314 1.00 14.02 O ATOM 274 CB ASN A 18 -0.010 -3.493 -23.524 1.00 14.14 C ATOM 275 CG ASN A 18 0.141 -4.315 -24.788 1.00 34.40 C ATOM 276 OD1 ASN A 18 -0.803 -4.463 -25.563 1.00 2.13 O ATOM 277 ND2 ASN A 18 1.335 -4.857 -25.001 1.00 22.35 N ATOM 0 H ASN A 18 0.639 -1.681 -21.811 1.00 3.43 H new ATOM 0 HA ASN A 18 0.549 -1.814 -24.746 1.00 14.41 H new ATOM 0 HB2 ASN A 18 0.783 -3.758 -22.824 1.00 14.14 H new ATOM 0 HB3 ASN A 18 -0.956 -3.741 -23.043 1.00 14.14 H new ATOM 0 HD21 ASN A 18 1.497 -5.422 -25.834 1.00 22.35 H new ATOM 0 HD22 ASN A 18 2.090 -4.708 -24.331 1.00 22.35 H new ATOM 284 N VAL A 19 -1.541 -0.168 -23.526 1.00 13.10 N ATOM 285 CA VAL A 19 -2.845 0.483 -23.579 1.00 54.32 C ATOM 286 C VAL A 19 -2.928 1.453 -24.752 1.00 32.30 C ATOM 287 O VAL A 19 -1.946 2.109 -25.099 1.00 0.34 O ATOM 288 CB VAL A 19 -3.144 1.246 -22.275 1.00 33.02 C ATOM 289 CG1 VAL A 19 -4.490 1.950 -22.364 1.00 30.33 C ATOM 290 CG2 VAL A 19 -3.105 0.301 -21.084 1.00 55.13 C ATOM 0 H VAL A 19 -0.786 0.426 -23.182 1.00 13.10 H new ATOM 0 HA VAL A 19 -3.587 -0.305 -23.709 1.00 54.32 H new ATOM 0 HB VAL A 19 -2.374 2.004 -22.134 1.00 33.02 H new ATOM 0 HG11 VAL A 19 -4.684 2.484 -21.433 1.00 30.33 H new ATOM 0 HG12 VAL A 19 -4.476 2.658 -23.192 1.00 30.33 H new ATOM 0 HG13 VAL A 19 -5.276 1.213 -22.530 1.00 30.33 H new ATOM 0 HG21 VAL A 19 -3.318 0.857 -20.171 1.00 55.13 H new ATOM 0 HG22 VAL A 19 -3.853 -0.481 -21.216 1.00 55.13 H new ATOM 0 HG23 VAL A 19 -2.116 -0.151 -21.010 1.00 55.13 H new ATOM 300 N ALA A 20 -4.106 1.538 -25.360 1.00 1.34 N ATOM 301 CA ALA A 20 -4.320 2.430 -26.493 1.00 32.34 C ATOM 302 C ALA A 20 -4.836 3.788 -26.033 1.00 25.04 C ATOM 303 O ALA A 20 -5.912 3.888 -25.444 1.00 64.13 O ATOM 304 CB ALA A 20 -5.288 1.802 -27.484 1.00 64.33 C ATOM 0 H ALA A 20 -4.928 0.999 -25.087 1.00 1.34 H new ATOM 0 HA ALA A 20 -3.361 2.585 -26.988 1.00 32.34 H new ATOM 0 HB1 ALA A 20 -5.438 2.479 -28.325 1.00 64.33 H new ATOM 0 HB2 ALA A 20 -4.877 0.859 -27.846 1.00 64.33 H new ATOM 0 HB3 ALA A 20 -6.243 1.617 -26.992 1.00 64.33 H new ATOM 310 N VAL A 21 -4.062 4.834 -26.307 1.00 43.33 N ATOM 311 CA VAL A 21 -4.443 6.188 -25.921 1.00 25.33 C ATOM 312 C VAL A 21 -5.514 6.745 -26.853 1.00 63.42 C ATOM 313 O VAL A 21 -6.296 7.613 -26.468 1.00 22.52 O ATOM 314 CB VAL A 21 -3.229 7.136 -25.930 1.00 30.05 C ATOM 315 CG1 VAL A 21 -2.515 7.078 -27.271 1.00 22.44 C ATOM 316 CG2 VAL A 21 -3.661 8.559 -25.607 1.00 64.32 C ATOM 0 H VAL A 21 -3.168 4.770 -26.794 1.00 43.33 H new ATOM 0 HA VAL A 21 -4.842 6.128 -24.908 1.00 25.33 H new ATOM 0 HB VAL A 21 -2.530 6.809 -25.160 1.00 30.05 H new ATOM 0 HG11 VAL A 21 -1.660 7.754 -27.258 1.00 22.44 H new ATOM 0 HG12 VAL A 21 -2.170 6.061 -27.456 1.00 22.44 H new ATOM 0 HG13 VAL A 21 -3.202 7.377 -28.062 1.00 22.44 H new ATOM 0 HG21 VAL A 21 -2.790 9.215 -25.618 1.00 64.32 H new ATOM 0 HG22 VAL A 21 -4.381 8.899 -26.352 1.00 64.32 H new ATOM 0 HG23 VAL A 21 -4.122 8.584 -24.620 1.00 64.32 H new ATOM 326 N GLY A 22 -5.544 6.236 -28.082 1.00 34.23 N ATOM 327 CA GLY A 22 -6.524 6.694 -29.050 1.00 71.02 C ATOM 328 C GLY A 22 -6.373 8.167 -29.375 1.00 63.01 C ATOM 329 O GLY A 22 -5.639 8.888 -28.699 1.00 64.22 O ATOM 0 H GLY A 22 -4.908 5.516 -28.424 1.00 34.23 H new ATOM 0 HA2 GLY A 22 -6.426 6.111 -29.966 1.00 71.02 H new ATOM 0 HA3 GLY A 22 -7.526 6.511 -28.662 1.00 71.02 H new ATOM 333 N VAL A 23 -7.069 8.616 -30.415 1.00 62.45 N ATOM 334 CA VAL A 23 -7.009 10.012 -30.830 1.00 30.31 C ATOM 335 C VAL A 23 -8.007 10.297 -31.947 1.00 75.41 C ATOM 336 O VAL A 23 -8.610 11.368 -31.996 1.00 43.13 O ATOM 337 CB VAL A 23 -5.596 10.395 -31.309 1.00 54.11 C ATOM 338 CG1 VAL A 23 -5.153 9.489 -32.447 1.00 72.14 C ATOM 339 CG2 VAL A 23 -5.555 11.855 -31.732 1.00 15.12 C ATOM 0 H VAL A 23 -7.681 8.033 -30.985 1.00 62.45 H new ATOM 0 HA VAL A 23 -7.264 10.613 -29.957 1.00 30.31 H new ATOM 0 HB VAL A 23 -4.902 10.261 -30.480 1.00 54.11 H new ATOM 0 HG11 VAL A 23 -4.153 9.775 -32.772 1.00 72.14 H new ATOM 0 HG12 VAL A 23 -5.141 8.454 -32.105 1.00 72.14 H new ATOM 0 HG13 VAL A 23 -5.847 9.587 -33.282 1.00 72.14 H new ATOM 0 HG21 VAL A 23 -4.549 12.109 -32.067 1.00 15.12 H new ATOM 0 HG22 VAL A 23 -6.261 12.018 -32.546 1.00 15.12 H new ATOM 0 HG23 VAL A 23 -5.825 12.487 -30.886 1.00 15.12 H new ATOM 349 N GLY A 24 -8.174 9.330 -32.844 1.00 21.13 N ATOM 350 CA GLY A 24 -9.100 9.496 -33.950 1.00 74.22 C ATOM 351 C GLY A 24 -8.677 8.721 -35.182 1.00 12.30 C ATOM 352 O GLY A 24 -9.490 8.452 -36.065 1.00 71.03 O ATOM 0 H GLY A 24 -7.685 8.435 -32.825 1.00 21.13 H new ATOM 0 HA2 GLY A 24 -10.092 9.168 -33.641 1.00 74.22 H new ATOM 0 HA3 GLY A 24 -9.177 10.554 -34.199 1.00 74.22 H new ATOM 356 N GLY A 25 -7.398 8.362 -35.242 1.00 64.20 N ATOM 357 CA GLY A 25 -6.890 7.618 -36.381 1.00 73.21 C ATOM 358 C GLY A 25 -5.449 7.184 -36.194 1.00 51.43 C ATOM 359 O GLY A 25 -4.741 7.710 -35.335 1.00 30.41 O ATOM 0 H GLY A 25 -6.705 8.573 -34.524 1.00 64.20 H new ATOM 0 HA2 GLY A 25 -7.513 6.738 -36.544 1.00 73.21 H new ATOM 0 HA3 GLY A 25 -6.967 8.234 -37.277 1.00 73.21 H new ATOM 363 N LYS A 26 -5.015 6.220 -36.998 1.00 32.12 N ATOM 364 CA LYS A 26 -3.649 5.714 -36.918 1.00 31.11 C ATOM 365 C LYS A 26 -3.378 5.094 -35.551 1.00 65.41 C ATOM 366 O LYS A 26 -4.204 5.186 -34.643 1.00 71.23 O ATOM 367 CB LYS A 26 -2.650 6.841 -37.186 1.00 30.24 C ATOM 368 CG LYS A 26 -1.551 6.461 -38.164 1.00 50.11 C ATOM 369 CD LYS A 26 -1.831 7.005 -39.555 1.00 31.14 C ATOM 370 CE LYS A 26 -1.426 6.012 -40.633 1.00 30.34 C ATOM 371 NZ LYS A 26 -1.941 6.408 -41.973 1.00 63.02 N ATOM 0 H LYS A 26 -5.589 5.773 -37.713 1.00 32.12 H new ATOM 0 HA LYS A 26 -3.529 4.942 -37.678 1.00 31.11 H new ATOM 0 HB2 LYS A 26 -3.187 7.706 -37.574 1.00 30.24 H new ATOM 0 HB3 LYS A 26 -2.196 7.145 -36.243 1.00 30.24 H new ATOM 0 HG2 LYS A 26 -0.596 6.846 -37.807 1.00 50.11 H new ATOM 0 HG3 LYS A 26 -1.461 5.376 -38.208 1.00 50.11 H new ATOM 0 HD2 LYS A 26 -2.892 7.235 -39.650 1.00 31.14 H new ATOM 0 HD3 LYS A 26 -1.289 7.940 -39.697 1.00 31.14 H new ATOM 0 HE2 LYS A 26 -0.339 5.938 -40.669 1.00 30.34 H new ATOM 0 HE3 LYS A 26 -1.805 5.023 -40.376 1.00 30.34 H new ATOM 0 HZ1 LYS A 26 -1.644 5.706 -42.680 1.00 63.02 H new ATOM 0 HZ2 LYS A 26 -2.980 6.454 -41.946 1.00 63.02 H new ATOM 0 HZ3 LYS A 26 -1.560 7.341 -42.230 1.00 63.02 H new ATOM 385 N SER A 27 -2.216 4.463 -35.412 1.00 24.01 N ATOM 386 CA SER A 27 -1.838 3.826 -34.157 1.00 51.23 C ATOM 387 C SER A 27 -1.507 4.870 -33.096 1.00 31.43 C ATOM 388 O SER A 27 -0.892 5.897 -33.388 1.00 43.00 O ATOM 389 CB SER A 27 -0.638 2.902 -34.372 1.00 52.13 C ATOM 390 OG SER A 27 -1.045 1.546 -34.447 1.00 73.12 O ATOM 0 H SER A 27 -1.521 4.380 -36.153 1.00 24.01 H new ATOM 0 HA SER A 27 -2.685 3.235 -33.808 1.00 51.23 H new ATOM 0 HB2 SER A 27 -0.120 3.181 -35.290 1.00 52.13 H new ATOM 0 HB3 SER A 27 0.072 3.027 -33.555 1.00 52.13 H new ATOM 0 HG SER A 27 -0.260 0.976 -34.586 1.00 73.12 H new ATOM 396 N LYS A 28 -1.918 4.601 -31.861 1.00 13.23 N ATOM 397 CA LYS A 28 -1.665 5.515 -30.754 1.00 22.11 C ATOM 398 C LYS A 28 -1.765 4.790 -29.416 1.00 1.01 C ATOM 399 O LYS A 28 -2.861 4.494 -28.939 1.00 62.52 O ATOM 400 CB LYS A 28 -2.657 6.680 -30.790 1.00 22.42 C ATOM 401 CG LYS A 28 -2.031 8.023 -30.452 1.00 24.20 C ATOM 402 CD LYS A 28 -1.495 8.716 -31.693 1.00 62.53 C ATOM 403 CE LYS A 28 -1.478 10.227 -31.524 1.00 54.22 C ATOM 404 NZ LYS A 28 -0.503 10.659 -30.483 1.00 64.21 N ATOM 0 H LYS A 28 -2.428 3.757 -31.602 1.00 13.23 H new ATOM 0 HA LYS A 28 -0.653 5.904 -30.862 1.00 22.11 H new ATOM 0 HB2 LYS A 28 -3.103 6.736 -31.783 1.00 22.42 H new ATOM 0 HB3 LYS A 28 -3.466 6.479 -30.088 1.00 22.42 H new ATOM 0 HG2 LYS A 28 -2.772 8.660 -29.970 1.00 24.20 H new ATOM 0 HG3 LYS A 28 -1.221 7.878 -29.737 1.00 24.20 H new ATOM 0 HD2 LYS A 28 -0.486 8.361 -31.902 1.00 62.53 H new ATOM 0 HD3 LYS A 28 -2.110 8.452 -32.553 1.00 62.53 H new ATOM 0 HE2 LYS A 28 -1.225 10.696 -32.475 1.00 54.22 H new ATOM 0 HE3 LYS A 28 -2.475 10.573 -31.253 1.00 54.22 H new ATOM 0 HZ1 LYS A 28 -0.510 11.696 -30.410 1.00 64.21 H new ATOM 0 HZ2 LYS A 28 -0.768 10.246 -29.566 1.00 64.21 H new ATOM 0 HZ3 LYS A 28 0.450 10.337 -30.745 1.00 64.21 H new ATOM 418 N LYS A 29 -0.615 4.508 -28.813 1.00 31.34 N ATOM 419 CA LYS A 29 -0.573 3.820 -27.528 1.00 1.01 C ATOM 420 C LYS A 29 0.079 4.696 -26.463 1.00 74.13 C ATOM 421 O LYS A 29 1.000 5.460 -26.752 1.00 1.44 O ATOM 422 CB LYS A 29 0.193 2.502 -27.657 1.00 23.50 C ATOM 423 CG LYS A 29 1.670 2.684 -27.963 1.00 70.02 C ATOM 424 CD LYS A 29 2.245 1.472 -28.678 1.00 4.35 C ATOM 425 CE LYS A 29 3.482 1.837 -29.485 1.00 1.25 C ATOM 426 NZ LYS A 29 4.706 1.180 -28.951 1.00 12.22 N ATOM 0 H LYS A 29 0.301 4.745 -29.194 1.00 31.34 H new ATOM 0 HA LYS A 29 -1.598 3.610 -27.223 1.00 1.01 H new ATOM 0 HB2 LYS A 29 0.089 1.939 -26.729 1.00 23.50 H new ATOM 0 HB3 LYS A 29 -0.262 1.903 -28.446 1.00 23.50 H new ATOM 0 HG2 LYS A 29 1.808 3.571 -28.581 1.00 70.02 H new ATOM 0 HG3 LYS A 29 2.217 2.853 -27.035 1.00 70.02 H new ATOM 0 HD2 LYS A 29 2.499 0.704 -27.948 1.00 4.35 H new ATOM 0 HD3 LYS A 29 1.490 1.046 -29.339 1.00 4.35 H new ATOM 0 HE2 LYS A 29 3.337 1.544 -30.525 1.00 1.25 H new ATOM 0 HE3 LYS A 29 3.616 2.919 -29.474 1.00 1.25 H new ATOM 0 HZ1 LYS A 29 5.527 1.454 -29.528 1.00 12.22 H new ATOM 0 HZ2 LYS A 29 4.859 1.479 -27.967 1.00 12.22 H new ATOM 0 HZ3 LYS A 29 4.588 0.147 -28.985 1.00 12.22 H new ATOM 440 N PHE A 30 -0.403 4.579 -25.231 1.00 40.43 N ATOM 441 CA PHE A 30 0.132 5.361 -24.122 1.00 72.45 C ATOM 442 C PHE A 30 1.636 5.145 -23.983 1.00 14.13 C ATOM 443 O PHE A 30 2.230 4.346 -24.706 1.00 35.11 O ATOM 444 CB PHE A 30 -0.570 4.982 -22.817 1.00 41.34 C ATOM 445 CG PHE A 30 -1.486 6.054 -22.296 1.00 60.22 C ATOM 446 CD1 PHE A 30 -2.844 6.015 -22.567 1.00 54.20 C ATOM 447 CD2 PHE A 30 -0.987 7.099 -21.537 1.00 14.44 C ATOM 448 CE1 PHE A 30 -3.689 6.999 -22.089 1.00 61.01 C ATOM 449 CE2 PHE A 30 -1.827 8.087 -21.056 1.00 63.33 C ATOM 450 CZ PHE A 30 -3.179 8.037 -21.334 1.00 43.34 C ATOM 0 H PHE A 30 -1.164 3.950 -24.975 1.00 40.43 H new ATOM 0 HA PHE A 30 -0.050 6.415 -24.332 1.00 72.45 H new ATOM 0 HB2 PHE A 30 -1.144 4.069 -22.974 1.00 41.34 H new ATOM 0 HB3 PHE A 30 0.182 4.759 -22.061 1.00 41.34 H new ATOM 0 HD1 PHE A 30 -3.247 5.206 -23.159 1.00 54.20 H new ATOM 0 HD2 PHE A 30 0.070 7.143 -21.318 1.00 14.44 H new ATOM 0 HE1 PHE A 30 -4.746 6.956 -22.306 1.00 61.01 H new ATOM 0 HE2 PHE A 30 -1.426 8.896 -20.464 1.00 63.33 H new ATOM 0 HZ PHE A 30 -3.837 8.809 -20.961 1.00 43.34 H new ATOM 460 N GLY A 31 2.248 5.868 -23.048 1.00 53.35 N ATOM 461 CA GLY A 31 3.678 5.743 -22.831 1.00 44.32 C ATOM 462 C GLY A 31 4.074 6.040 -21.398 1.00 64.12 C ATOM 463 O GLY A 31 3.249 6.477 -20.597 1.00 4.54 O ATOM 0 H GLY A 31 1.779 6.537 -22.438 1.00 53.35 H new ATOM 0 HA2 GLY A 31 3.995 4.733 -23.091 1.00 44.32 H new ATOM 0 HA3 GLY A 31 4.205 6.424 -23.499 1.00 44.32 H new ATOM 467 N GLU A 32 5.341 5.799 -21.075 1.00 14.40 N ATOM 468 CA GLU A 32 5.844 6.042 -19.728 1.00 1.12 C ATOM 469 C GLU A 32 5.691 7.511 -19.346 1.00 31.24 C ATOM 470 O GLU A 32 5.290 7.836 -18.230 1.00 62.12 O ATOM 471 CB GLU A 32 7.313 5.627 -19.625 1.00 64.21 C ATOM 472 CG GLU A 32 7.508 4.148 -19.337 1.00 21.45 C ATOM 473 CD GLU A 32 8.842 3.853 -18.679 1.00 14.24 C ATOM 474 OE1 GLU A 32 9.870 4.377 -19.159 1.00 41.31 O ATOM 475 OE2 GLU A 32 8.859 3.100 -17.683 1.00 60.33 O ATOM 0 H GLU A 32 6.037 5.436 -21.727 1.00 14.40 H new ATOM 0 HA GLU A 32 5.255 5.441 -19.035 1.00 1.12 H new ATOM 0 HB2 GLU A 32 7.819 5.877 -20.558 1.00 64.21 H new ATOM 0 HB3 GLU A 32 7.792 6.208 -18.837 1.00 64.21 H new ATOM 0 HG2 GLU A 32 6.703 3.798 -18.691 1.00 21.45 H new ATOM 0 HG3 GLU A 32 7.435 3.587 -20.269 1.00 21.45 H new ATOM 482 N GLY A 33 6.017 8.397 -20.284 1.00 45.30 N ATOM 483 CA GLY A 33 5.909 9.822 -20.027 1.00 33.51 C ATOM 484 C GLY A 33 4.471 10.282 -19.901 1.00 2.41 C ATOM 485 O GLY A 33 4.150 11.108 -19.048 1.00 44.33 O ATOM 0 H GLY A 33 6.353 8.153 -21.216 1.00 45.30 H new ATOM 0 HA2 GLY A 33 6.446 10.064 -19.110 1.00 33.51 H new ATOM 0 HA3 GLY A 33 6.393 10.371 -20.834 1.00 33.51 H new ATOM 489 N ASN A 34 3.603 9.747 -20.755 1.00 14.44 N ATOM 490 CA ASN A 34 2.191 10.111 -20.735 1.00 24.20 C ATOM 491 C ASN A 34 1.567 9.797 -19.380 1.00 41.52 C ATOM 492 O ASN A 34 0.916 10.648 -18.771 1.00 62.51 O ATOM 493 CB ASN A 34 1.437 9.368 -21.841 1.00 13.41 C ATOM 494 CG ASN A 34 1.852 9.821 -23.227 1.00 44.00 C ATOM 495 OD1 ASN A 34 2.194 9.004 -24.083 1.00 41.15 O ATOM 496 ND2 ASN A 34 1.823 11.129 -23.457 1.00 55.14 N ATOM 0 H ASN A 34 3.853 9.061 -21.468 1.00 14.44 H new ATOM 0 HA ASN A 34 2.115 11.184 -20.909 1.00 24.20 H new ATOM 0 HB2 ASN A 34 1.616 8.297 -21.743 1.00 13.41 H new ATOM 0 HB3 ASN A 34 0.366 9.525 -21.716 1.00 13.41 H new ATOM 0 HD21 ASN A 34 2.091 11.492 -24.372 1.00 55.14 H new ATOM 0 HD22 ASN A 34 1.533 11.770 -22.719 1.00 55.14 H new ATOM 503 N PHE A 35 1.769 8.570 -18.911 1.00 51.42 N ATOM 504 CA PHE A 35 1.226 8.143 -17.626 1.00 21.11 C ATOM 505 C PHE A 35 1.852 8.933 -16.481 1.00 63.25 C ATOM 506 O PHE A 35 1.151 9.438 -15.605 1.00 43.32 O ATOM 507 CB PHE A 35 1.465 6.646 -17.419 1.00 24.24 C ATOM 508 CG PHE A 35 0.423 5.777 -18.064 1.00 42.50 C ATOM 509 CD1 PHE A 35 -0.916 5.918 -17.733 1.00 13.11 C ATOM 510 CD2 PHE A 35 0.781 4.819 -18.999 1.00 52.50 C ATOM 511 CE1 PHE A 35 -1.878 5.120 -18.323 1.00 31.24 C ATOM 512 CE2 PHE A 35 -0.177 4.019 -19.593 1.00 4.21 C ATOM 513 CZ PHE A 35 -1.507 4.169 -19.254 1.00 64.10 C ATOM 0 H PHE A 35 2.305 7.854 -19.401 1.00 51.42 H new ATOM 0 HA PHE A 35 0.153 8.335 -17.632 1.00 21.11 H new ATOM 0 HB2 PHE A 35 2.444 6.384 -17.820 1.00 24.24 H new ATOM 0 HB3 PHE A 35 1.491 6.435 -16.350 1.00 24.24 H new ATOM 0 HD1 PHE A 35 -1.211 6.660 -17.006 1.00 13.11 H new ATOM 0 HD2 PHE A 35 1.820 4.696 -19.267 1.00 52.50 H new ATOM 0 HE1 PHE A 35 -2.918 5.240 -18.057 1.00 31.24 H new ATOM 0 HE2 PHE A 35 0.115 3.277 -20.322 1.00 4.21 H new ATOM 0 HZ PHE A 35 -2.257 3.544 -19.716 1.00 64.10 H new ATOM 523 N ARG A 36 3.177 9.033 -16.495 1.00 3.45 N ATOM 524 CA ARG A 36 3.899 9.760 -15.458 1.00 62.32 C ATOM 525 C ARG A 36 3.413 11.203 -15.366 1.00 13.14 C ATOM 526 O ARG A 36 3.513 11.837 -14.315 1.00 24.52 O ATOM 527 CB ARG A 36 5.403 9.733 -15.739 1.00 1.10 C ATOM 528 CG ARG A 36 6.094 8.478 -15.234 1.00 35.20 C ATOM 529 CD ARG A 36 7.428 8.802 -14.577 1.00 4.12 C ATOM 530 NE ARG A 36 7.869 7.738 -13.681 1.00 32.42 N ATOM 531 CZ ARG A 36 7.321 7.502 -12.494 1.00 32.42 C ATOM 532 NH1 ARG A 36 6.316 8.251 -12.063 1.00 21.30 N ATOM 533 NH2 ARG A 36 7.779 6.514 -11.735 1.00 21.24 N ATOM 0 H ARG A 36 3.772 8.620 -17.213 1.00 3.45 H new ATOM 0 HA ARG A 36 3.706 9.269 -14.504 1.00 62.32 H new ATOM 0 HB2 ARG A 36 5.565 9.819 -16.813 1.00 1.10 H new ATOM 0 HB3 ARG A 36 5.866 10.604 -15.276 1.00 1.10 H new ATOM 0 HG2 ARG A 36 5.449 7.969 -14.518 1.00 35.20 H new ATOM 0 HG3 ARG A 36 6.254 7.790 -16.064 1.00 35.20 H new ATOM 0 HD2 ARG A 36 8.182 8.963 -15.348 1.00 4.12 H new ATOM 0 HD3 ARG A 36 7.340 9.734 -14.018 1.00 4.12 H new ATOM 0 HE ARG A 36 8.640 7.143 -13.983 1.00 32.42 H new ATOM 0 HH11 ARG A 36 5.961 9.011 -12.643 1.00 21.30 H new ATOM 0 HH12 ARG A 36 5.897 8.067 -11.151 1.00 21.30 H new ATOM 0 HH21 ARG A 36 8.552 5.935 -12.063 1.00 21.24 H new ATOM 0 HH22 ARG A 36 7.358 6.334 -10.824 1.00 21.24 H new ATOM 547 N TRP A 37 2.889 11.717 -16.473 1.00 22.50 N ATOM 548 CA TRP A 37 2.389 13.086 -16.518 1.00 43.12 C ATOM 549 C TRP A 37 1.042 13.197 -15.811 1.00 14.11 C ATOM 550 O TRP A 37 0.885 13.982 -14.877 1.00 55.22 O ATOM 551 CB TRP A 37 2.257 13.556 -17.968 1.00 42.31 C ATOM 552 CG TRP A 37 1.549 14.870 -18.105 1.00 54.04 C ATOM 553 CD1 TRP A 37 2.109 16.114 -18.036 1.00 43.14 C ATOM 554 CD2 TRP A 37 0.149 15.069 -18.330 1.00 34.23 C ATOM 555 NE1 TRP A 37 1.141 17.074 -18.206 1.00 20.12 N ATOM 556 CE2 TRP A 37 -0.069 16.460 -18.389 1.00 20.51 C ATOM 557 CE3 TRP A 37 -0.941 14.209 -18.491 1.00 12.04 C ATOM 558 CZ2 TRP A 37 -1.332 17.006 -18.601 1.00 72.03 C ATOM 559 CZ3 TRP A 37 -2.193 14.753 -18.700 1.00 22.13 C ATOM 560 CH2 TRP A 37 -2.380 16.140 -18.754 1.00 4.23 C ATOM 0 H TRP A 37 2.799 11.206 -17.351 1.00 22.50 H new ATOM 0 HA TRP A 37 3.105 13.724 -16.000 1.00 43.12 H new ATOM 0 HB2 TRP A 37 3.251 13.640 -18.407 1.00 42.31 H new ATOM 0 HB3 TRP A 37 1.719 12.800 -18.540 1.00 42.31 H new ATOM 0 HD1 TRP A 37 3.158 16.313 -17.872 1.00 43.14 H new ATOM 0 HE1 TRP A 37 1.298 18.082 -18.197 1.00 20.12 H new ATOM 0 HE3 TRP A 37 -0.806 13.138 -18.453 1.00 12.04 H new ATOM 0 HZ2 TRP A 37 -1.479 18.075 -18.643 1.00 72.03 H new ATOM 0 HZ3 TRP A 37 -3.042 14.098 -18.824 1.00 22.13 H new ATOM 0 HH2 TRP A 37 -3.372 16.534 -18.920 1.00 4.23 H new ATOM 571 N ALA A 38 0.075 12.406 -16.262 1.00 40.45 N ATOM 572 CA ALA A 38 -1.258 12.414 -15.670 1.00 32.24 C ATOM 573 C ALA A 38 -1.212 11.978 -14.209 1.00 73.43 C ATOM 574 O ALA A 38 -1.862 12.577 -13.352 1.00 65.31 O ATOM 575 CB ALA A 38 -2.192 11.512 -16.462 1.00 3.43 C ATOM 0 H ALA A 38 0.189 11.751 -17.036 1.00 40.45 H new ATOM 0 HA ALA A 38 -1.639 13.435 -15.706 1.00 32.24 H new ATOM 0 HB1 ALA A 38 -3.183 11.527 -16.009 1.00 3.43 H new ATOM 0 HB2 ALA A 38 -2.257 11.869 -17.490 1.00 3.43 H new ATOM 0 HB3 ALA A 38 -1.806 10.493 -16.455 1.00 3.43 H new ATOM 581 N ILE A 39 -0.440 10.932 -13.933 1.00 53.14 N ATOM 582 CA ILE A 39 -0.310 10.417 -12.575 1.00 24.02 C ATOM 583 C ILE A 39 0.291 11.466 -11.645 1.00 61.22 C ATOM 584 O ILE A 39 -0.288 11.797 -10.610 1.00 30.41 O ATOM 585 CB ILE A 39 0.564 9.150 -12.535 1.00 31.44 C ATOM 586 CG1 ILE A 39 -0.119 8.009 -13.293 1.00 32.31 C ATOM 587 CG2 ILE A 39 0.843 8.744 -11.095 1.00 12.34 C ATOM 588 CD1 ILE A 39 -1.385 7.515 -12.629 1.00 25.23 C ATOM 0 H ILE A 39 0.104 10.425 -14.631 1.00 53.14 H new ATOM 0 HA ILE A 39 -1.315 10.166 -12.235 1.00 24.02 H new ATOM 0 HB ILE A 39 1.515 9.367 -13.022 1.00 31.44 H new ATOM 0 HG12 ILE A 39 -0.355 8.345 -14.303 1.00 32.31 H new ATOM 0 HG13 ILE A 39 0.580 7.178 -13.389 1.00 32.31 H new ATOM 0 HG21 ILE A 39 1.462 7.847 -11.083 1.00 12.34 H new ATOM 0 HG22 ILE A 39 1.366 9.552 -10.584 1.00 12.34 H new ATOM 0 HG23 ILE A 39 -0.099 8.542 -10.585 1.00 12.34 H new ATOM 0 HD11 ILE A 39 -1.815 6.707 -13.221 1.00 25.23 H new ATOM 0 HD12 ILE A 39 -1.152 7.148 -11.629 1.00 25.23 H new ATOM 0 HD13 ILE A 39 -2.102 8.333 -12.558 1.00 25.23 H new ATOM 600 N ARG A 40 1.455 11.985 -12.021 1.00 35.43 N ATOM 601 CA ARG A 40 2.135 12.996 -11.221 1.00 51.45 C ATOM 602 C ARG A 40 1.284 14.257 -11.102 1.00 52.34 C ATOM 603 O ARG A 40 1.071 14.772 -10.004 1.00 42.24 O ATOM 604 CB ARG A 40 3.491 13.341 -11.839 1.00 63.53 C ATOM 605 CG ARG A 40 4.330 14.277 -10.985 1.00 42.11 C ATOM 606 CD ARG A 40 5.777 13.816 -10.910 1.00 42.13 C ATOM 607 NE ARG A 40 6.596 14.405 -11.966 1.00 43.01 N ATOM 608 CZ ARG A 40 7.922 14.334 -11.994 1.00 61.52 C ATOM 609 NH1 ARG A 40 8.576 13.701 -11.030 1.00 43.30 N ATOM 610 NH2 ARG A 40 8.596 14.894 -12.990 1.00 13.02 N ATOM 0 H ARG A 40 1.947 11.722 -12.875 1.00 35.43 H new ATOM 0 HA ARG A 40 2.292 12.587 -10.223 1.00 51.45 H new ATOM 0 HB2 ARG A 40 4.048 12.420 -12.008 1.00 63.53 H new ATOM 0 HB3 ARG A 40 3.330 13.800 -12.815 1.00 63.53 H new ATOM 0 HG2 ARG A 40 4.289 15.284 -11.399 1.00 42.11 H new ATOM 0 HG3 ARG A 40 3.911 14.328 -9.980 1.00 42.11 H new ATOM 0 HD2 ARG A 40 6.192 14.083 -9.938 1.00 42.13 H new ATOM 0 HD3 ARG A 40 5.815 12.729 -10.985 1.00 42.13 H new ATOM 0 HE ARG A 40 6.124 14.898 -12.724 1.00 43.01 H new ATOM 0 HH11 ARG A 40 8.061 13.267 -10.264 1.00 43.30 H new ATOM 0 HH12 ARG A 40 9.594 13.648 -11.054 1.00 43.30 H new ATOM 0 HH21 ARG A 40 8.096 15.379 -13.735 1.00 13.02 H new ATOM 0 HH22 ARG A 40 9.614 14.839 -13.011 1.00 13.02 H new ATOM 624 N MET A 41 0.801 14.749 -12.237 1.00 61.21 N ATOM 625 CA MET A 41 -0.027 15.949 -12.260 1.00 41.11 C ATOM 626 C MET A 41 -1.276 15.763 -11.404 1.00 50.22 C ATOM 627 O MET A 41 -1.701 16.681 -10.703 1.00 53.21 O ATOM 628 CB MET A 41 -0.426 16.293 -13.696 1.00 61.51 C ATOM 629 CG MET A 41 0.717 16.856 -14.526 1.00 74.11 C ATOM 630 SD MET A 41 1.068 18.582 -14.143 1.00 3.41 S ATOM 631 CE MET A 41 2.635 18.429 -13.290 1.00 23.40 C ATOM 0 H MET A 41 0.969 14.335 -13.154 1.00 61.21 H new ATOM 0 HA MET A 41 0.557 16.771 -11.847 1.00 41.11 H new ATOM 0 HB2 MET A 41 -0.810 15.396 -14.182 1.00 61.51 H new ATOM 0 HB3 MET A 41 -1.240 17.018 -13.675 1.00 61.51 H new ATOM 0 HG2 MET A 41 1.613 16.260 -14.354 1.00 74.11 H new ATOM 0 HG3 MET A 41 0.472 16.765 -15.584 1.00 74.11 H new ATOM 0 HE1 MET A 41 2.837 19.344 -12.733 1.00 23.40 H new ATOM 0 HE2 MET A 41 2.593 17.586 -12.600 1.00 23.40 H new ATOM 0 HE3 MET A 41 3.430 18.264 -14.017 1.00 23.40 H new ATOM 641 N ALA A 42 -1.859 14.571 -11.466 1.00 42.12 N ATOM 642 CA ALA A 42 -3.057 14.265 -10.695 1.00 43.34 C ATOM 643 C ALA A 42 -2.801 14.414 -9.199 1.00 13.22 C ATOM 644 O ALA A 42 -3.614 14.988 -8.475 1.00 32.25 O ATOM 645 CB ALA A 42 -3.545 12.859 -11.011 1.00 24.04 C ATOM 0 H ALA A 42 -1.521 13.801 -12.043 1.00 42.12 H new ATOM 0 HA ALA A 42 -3.831 14.978 -10.977 1.00 43.34 H new ATOM 0 HB1 ALA A 42 -4.440 12.645 -10.427 1.00 24.04 H new ATOM 0 HB2 ALA A 42 -3.778 12.785 -12.073 1.00 24.04 H new ATOM 0 HB3 ALA A 42 -2.767 12.139 -10.759 1.00 24.04 H new ATOM 651 N ASN A 43 -1.667 13.892 -8.743 1.00 44.11 N ATOM 652 CA ASN A 43 -1.305 13.965 -7.333 1.00 53.30 C ATOM 653 C ASN A 43 -1.133 15.416 -6.890 1.00 62.35 C ATOM 654 O ASN A 43 -1.761 15.862 -5.929 1.00 62.30 O ATOM 655 CB ASN A 43 -0.014 13.186 -7.074 1.00 11.53 C ATOM 656 CG ASN A 43 0.029 11.871 -7.829 1.00 44.41 C ATOM 657 OD1 ASN A 43 1.207 11.511 -8.323 1.00 53.23 O flip ATOM 658 ND2 ASN A 43 -0.987 11.189 -7.967 1.00 61.33 N flip ATOM 0 H ASN A 43 -0.983 13.414 -9.330 1.00 44.11 H new ATOM 0 HA ASN A 43 -2.113 13.519 -6.753 1.00 53.30 H new ATOM 0 HB2 ASN A 43 0.840 13.797 -7.365 1.00 11.53 H new ATOM 0 HB3 ASN A 43 0.082 12.992 -6.006 1.00 11.53 H new ATOM 0 HD21 ASN A 43 -1.872 11.506 -7.570 1.00 61.33 H new ATOM 0 HD22 ASN A 43 -0.944 10.308 -8.478 1.00 61.33 H new ATOM 665 N VAL A 44 -0.279 16.148 -7.597 1.00 24.52 N ATOM 666 CA VAL A 44 -0.026 17.548 -7.280 1.00 73.31 C ATOM 667 C VAL A 44 -1.307 18.371 -7.364 1.00 22.41 C ATOM 668 O VAL A 44 -1.565 19.224 -6.515 1.00 45.11 O ATOM 669 CB VAL A 44 1.026 18.157 -8.227 1.00 61.01 C ATOM 670 CG1 VAL A 44 1.265 19.620 -7.888 1.00 14.21 C ATOM 671 CG2 VAL A 44 2.323 17.366 -8.160 1.00 71.02 C ATOM 0 H VAL A 44 0.250 15.794 -8.394 1.00 24.52 H new ATOM 0 HA VAL A 44 0.355 17.577 -6.259 1.00 73.31 H new ATOM 0 HB VAL A 44 0.647 18.103 -9.248 1.00 61.01 H new ATOM 0 HG11 VAL A 44 2.011 20.034 -8.567 1.00 14.21 H new ATOM 0 HG12 VAL A 44 0.332 20.175 -7.992 1.00 14.21 H new ATOM 0 HG13 VAL A 44 1.623 19.702 -6.862 1.00 14.21 H new ATOM 0 HG21 VAL A 44 3.055 17.810 -8.835 1.00 71.02 H new ATOM 0 HG22 VAL A 44 2.710 17.387 -7.141 1.00 71.02 H new ATOM 0 HG23 VAL A 44 2.135 16.334 -8.456 1.00 71.02 H new ATOM 681 N SER A 45 -2.106 18.109 -8.393 1.00 32.55 N ATOM 682 CA SER A 45 -3.359 18.827 -8.591 1.00 23.34 C ATOM 683 C SER A 45 -4.286 18.643 -7.394 1.00 52.22 C ATOM 684 O SER A 45 -5.140 19.486 -7.117 1.00 34.50 O ATOM 685 CB SER A 45 -4.053 18.345 -9.867 1.00 54.25 C ATOM 686 OG SER A 45 -3.332 18.741 -11.020 1.00 22.30 O ATOM 0 H SER A 45 -1.908 17.404 -9.103 1.00 32.55 H new ATOM 0 HA SER A 45 -3.129 19.888 -8.690 1.00 23.34 H new ATOM 0 HB2 SER A 45 -4.145 17.259 -9.847 1.00 54.25 H new ATOM 0 HB3 SER A 45 -5.064 18.750 -9.910 1.00 54.25 H new ATOM 0 HG SER A 45 -2.614 18.097 -11.194 1.00 22.30 H new ATOM 692 N THR A 46 -4.111 17.532 -6.684 1.00 50.34 N ATOM 693 CA THR A 46 -4.931 17.234 -5.516 1.00 4.23 C ATOM 694 C THR A 46 -4.145 17.435 -4.226 1.00 73.41 C ATOM 695 O THR A 46 -4.326 16.701 -3.256 1.00 72.43 O ATOM 696 CB THR A 46 -5.466 15.790 -5.559 1.00 13.15 C ATOM 697 OG1 THR A 46 -4.416 14.890 -5.928 1.00 71.20 O ATOM 698 CG2 THR A 46 -6.616 15.667 -6.546 1.00 2.52 C ATOM 0 H THR A 46 -3.409 16.824 -6.898 1.00 50.34 H new ATOM 0 HA THR A 46 -5.773 17.926 -5.536 1.00 4.23 H new ATOM 0 HB THR A 46 -5.833 15.533 -4.565 1.00 13.15 H new ATOM 0 HG1 THR A 46 -4.224 14.986 -6.884 1.00 71.20 H new ATOM 0 HG21 THR A 46 -6.976 14.638 -6.558 1.00 2.52 H new ATOM 0 HG22 THR A 46 -7.426 16.332 -6.246 1.00 2.52 H new ATOM 0 HG23 THR A 46 -6.271 15.943 -7.543 1.00 2.52 H new ATOM 706 N GLY A 47 -3.269 18.436 -4.221 1.00 63.13 N ATOM 707 CA GLY A 47 -2.468 18.716 -3.044 1.00 72.12 C ATOM 708 C GLY A 47 -1.740 17.489 -2.534 1.00 61.23 C ATOM 709 O GLY A 47 -1.841 17.143 -1.357 1.00 72.12 O ATOM 0 H GLY A 47 -3.100 19.058 -5.012 1.00 63.13 H new ATOM 0 HA2 GLY A 47 -1.742 19.494 -3.279 1.00 72.12 H new ATOM 0 HA3 GLY A 47 -3.111 19.107 -2.255 1.00 72.12 H new ATOM 713 N ARG A 48 -1.005 16.827 -3.422 1.00 73.31 N ATOM 714 CA ARG A 48 -0.258 15.629 -3.054 1.00 65.12 C ATOM 715 C ARG A 48 1.151 15.667 -3.637 1.00 73.24 C ATOM 716 O ARG A 48 1.410 16.367 -4.615 1.00 12.53 O ATOM 717 CB ARG A 48 -0.990 14.378 -3.544 1.00 60.04 C ATOM 718 CG ARG A 48 -1.256 13.360 -2.446 1.00 42.01 C ATOM 719 CD ARG A 48 -2.578 12.640 -2.663 1.00 34.44 C ATOM 720 NE ARG A 48 -3.160 12.176 -1.407 1.00 40.44 N ATOM 721 CZ ARG A 48 -4.359 11.610 -1.317 1.00 11.32 C ATOM 722 NH1 ARG A 48 -5.098 11.440 -2.404 1.00 24.00 N ATOM 723 NH2 ARG A 48 -4.821 11.215 -0.138 1.00 60.52 N ATOM 0 H ARG A 48 -0.911 17.099 -4.400 1.00 73.31 H new ATOM 0 HA ARG A 48 -0.182 15.597 -1.967 1.00 65.12 H new ATOM 0 HB2 ARG A 48 -1.939 14.674 -3.991 1.00 60.04 H new ATOM 0 HB3 ARG A 48 -0.400 13.907 -4.330 1.00 60.04 H new ATOM 0 HG2 ARG A 48 -0.445 12.633 -2.418 1.00 42.01 H new ATOM 0 HG3 ARG A 48 -1.268 13.862 -1.478 1.00 42.01 H new ATOM 0 HD2 ARG A 48 -3.278 13.310 -3.161 1.00 34.44 H new ATOM 0 HD3 ARG A 48 -2.423 11.790 -3.327 1.00 34.44 H new ATOM 0 HE ARG A 48 -2.617 12.293 -0.552 1.00 40.44 H new ATOM 0 HH11 ARG A 48 -4.747 11.744 -3.312 1.00 24.00 H new ATOM 0 HH12 ARG A 48 -6.018 11.005 -2.332 1.00 24.00 H new ATOM 0 HH21 ARG A 48 -4.256 11.346 0.701 1.00 60.52 H new ATOM 0 HH22 ARG A 48 -5.741 10.781 -0.070 1.00 60.52 H new ATOM 737 N GLU A 49 2.059 14.909 -3.027 1.00 4.25 N ATOM 738 CA GLU A 49 3.442 14.859 -3.485 1.00 33.32 C ATOM 739 C GLU A 49 3.511 14.552 -4.978 1.00 0.33 C ATOM 740 O GLU A 49 2.565 14.040 -5.576 1.00 43.31 O ATOM 741 CB GLU A 49 4.224 13.803 -2.700 1.00 41.04 C ATOM 742 CG GLU A 49 4.927 14.355 -1.472 1.00 73.15 C ATOM 743 CD GLU A 49 4.138 14.129 -0.197 1.00 73.40 C ATOM 744 OE1 GLU A 49 3.543 15.101 0.313 1.00 34.13 O ATOM 745 OE2 GLU A 49 4.116 12.980 0.293 1.00 24.54 O ATOM 0 H GLU A 49 1.861 14.323 -2.216 1.00 4.25 H new ATOM 0 HA GLU A 49 3.890 15.837 -3.312 1.00 33.32 H new ATOM 0 HB2 GLU A 49 3.541 13.011 -2.392 1.00 41.04 H new ATOM 0 HB3 GLU A 49 4.964 13.347 -3.358 1.00 41.04 H new ATOM 0 HG2 GLU A 49 5.906 13.886 -1.377 1.00 73.15 H new ATOM 0 HG3 GLU A 49 5.097 15.423 -1.605 1.00 73.15 H new ATOM 752 N PRO A 50 4.656 14.873 -5.596 1.00 32.44 N ATOM 753 CA PRO A 50 4.877 14.642 -7.026 1.00 63.10 C ATOM 754 C PRO A 50 4.998 13.159 -7.362 1.00 41.44 C ATOM 755 O PRO A 50 4.358 12.669 -8.291 1.00 51.42 O ATOM 756 CB PRO A 50 6.200 15.362 -7.303 1.00 41.40 C ATOM 757 CG PRO A 50 6.903 15.380 -5.990 1.00 54.03 C ATOM 758 CD PRO A 50 5.827 15.487 -4.945 1.00 52.10 C ATOM 0 HA PRO A 50 4.045 15.004 -7.630 1.00 63.10 H new ATOM 0 HB2 PRO A 50 6.785 14.838 -8.058 1.00 41.40 H new ATOM 0 HB3 PRO A 50 6.031 16.372 -7.675 1.00 41.40 H new ATOM 0 HG2 PRO A 50 7.493 14.474 -5.851 1.00 54.03 H new ATOM 0 HG3 PRO A 50 7.592 16.222 -5.928 1.00 54.03 H new ATOM 0 HD2 PRO A 50 6.101 14.960 -4.031 1.00 52.10 H new ATOM 0 HD3 PRO A 50 5.636 16.524 -4.670 1.00 52.10 H new ATOM 766 N GLY A 51 5.824 12.449 -6.598 1.00 3.10 N ATOM 767 CA GLY A 51 6.013 11.030 -6.831 1.00 41.14 C ATOM 768 C GLY A 51 4.991 10.181 -6.098 1.00 23.15 C ATOM 769 O GLY A 51 5.342 9.406 -5.210 1.00 52.14 O ATOM 0 H GLY A 51 6.365 12.832 -5.823 1.00 3.10 H new ATOM 0 HA2 GLY A 51 5.948 10.829 -7.900 1.00 41.14 H new ATOM 0 HA3 GLY A 51 7.015 10.743 -6.513 1.00 41.14 H new ATOM 773 N ASP A 52 3.725 10.329 -6.472 1.00 54.24 N ATOM 774 CA ASP A 52 2.649 9.571 -5.843 1.00 22.11 C ATOM 775 C ASP A 52 2.147 8.469 -6.772 1.00 0.13 C ATOM 776 O ASP A 52 1.597 8.746 -7.839 1.00 51.22 O ATOM 777 CB ASP A 52 1.495 10.501 -5.464 1.00 20.31 C ATOM 778 CG ASP A 52 1.254 10.542 -3.968 1.00 70.41 C ATOM 779 OD1 ASP A 52 0.151 10.149 -3.534 1.00 45.52 O ATOM 780 OD2 ASP A 52 2.168 10.967 -3.231 1.00 22.42 O ATOM 0 H ASP A 52 3.418 10.966 -7.207 1.00 54.24 H new ATOM 0 HA ASP A 52 3.044 9.108 -4.939 1.00 22.11 H new ATOM 0 HB2 ASP A 52 1.710 11.508 -5.822 1.00 20.31 H new ATOM 0 HB3 ASP A 52 0.586 10.171 -5.967 1.00 20.31 H new ATOM 785 N ILE A 53 2.341 7.221 -6.360 1.00 0.10 N ATOM 786 CA ILE A 53 1.908 6.079 -7.155 1.00 52.24 C ATOM 787 C ILE A 53 0.784 5.320 -6.458 1.00 71.54 C ATOM 788 O ILE A 53 0.984 4.241 -5.898 1.00 44.40 O ATOM 789 CB ILE A 53 3.074 5.110 -7.429 1.00 4.31 C ATOM 790 CG1 ILE A 53 4.254 5.862 -8.047 1.00 23.40 C ATOM 791 CG2 ILE A 53 2.619 3.982 -8.344 1.00 61.01 C ATOM 792 CD1 ILE A 53 3.979 6.379 -9.441 1.00 4.33 C ATOM 0 H ILE A 53 2.795 6.975 -5.480 1.00 0.10 H new ATOM 0 HA ILE A 53 1.544 6.474 -8.104 1.00 52.24 H new ATOM 0 HB ILE A 53 3.399 4.676 -6.483 1.00 4.31 H new ATOM 0 HG12 ILE A 53 4.517 6.701 -7.403 1.00 23.40 H new ATOM 0 HG13 ILE A 53 5.120 5.200 -8.078 1.00 23.40 H new ATOM 0 HG21 ILE A 53 3.453 3.305 -8.529 1.00 61.01 H new ATOM 0 HG22 ILE A 53 1.805 3.434 -7.869 1.00 61.01 H new ATOM 0 HG23 ILE A 53 2.273 4.398 -9.290 1.00 61.01 H new ATOM 0 HD11 ILE A 53 4.859 6.901 -9.816 1.00 4.33 H new ATOM 0 HD12 ILE A 53 3.745 5.543 -10.100 1.00 4.33 H new ATOM 0 HD13 ILE A 53 3.134 7.066 -9.414 1.00 4.33 H new ATOM 804 N PRO A 54 -0.428 5.892 -6.494 1.00 22.01 N ATOM 805 CA PRO A 54 -1.609 5.286 -5.873 1.00 65.12 C ATOM 806 C PRO A 54 -2.072 4.032 -6.609 1.00 51.10 C ATOM 807 O PRO A 54 -2.492 4.099 -7.763 1.00 5.33 O ATOM 808 CB PRO A 54 -2.668 6.386 -5.974 1.00 5.43 C ATOM 809 CG PRO A 54 -2.243 7.216 -7.136 1.00 63.50 C ATOM 810 CD PRO A 54 -0.739 7.177 -7.144 1.00 71.14 C ATOM 0 HA PRO A 54 -1.410 4.960 -4.852 1.00 65.12 H new ATOM 0 HB2 PRO A 54 -3.662 5.966 -6.130 1.00 5.43 H new ATOM 0 HB3 PRO A 54 -2.712 6.978 -5.060 1.00 5.43 H new ATOM 0 HG2 PRO A 54 -2.649 6.821 -8.067 1.00 63.50 H new ATOM 0 HG3 PRO A 54 -2.606 8.239 -7.039 1.00 63.50 H new ATOM 0 HD2 PRO A 54 -0.341 7.221 -8.158 1.00 71.14 H new ATOM 0 HD3 PRO A 54 -0.312 8.018 -6.597 1.00 71.14 H new ATOM 818 N GLU A 55 -1.991 2.891 -5.933 1.00 34.12 N ATOM 819 CA GLU A 55 -2.402 1.623 -6.525 1.00 72.12 C ATOM 820 C GLU A 55 -3.632 1.064 -5.815 1.00 2.44 C ATOM 821 O GLU A 55 -3.672 -0.109 -5.446 1.00 70.45 O ATOM 822 CB GLU A 55 -1.257 0.609 -6.457 1.00 22.12 C ATOM 823 CG GLU A 55 -1.375 -0.511 -7.478 1.00 52.15 C ATOM 824 CD GLU A 55 -1.102 -0.042 -8.893 1.00 42.23 C ATOM 825 OE1 GLU A 55 0.073 -0.081 -9.314 1.00 32.04 O ATOM 826 OE2 GLU A 55 -2.063 0.363 -9.580 1.00 32.14 O ATOM 0 H GLU A 55 -1.645 2.818 -4.976 1.00 34.12 H new ATOM 0 HA GLU A 55 -2.657 1.805 -7.569 1.00 72.12 H new ATOM 0 HB2 GLU A 55 -0.312 1.130 -6.609 1.00 22.12 H new ATOM 0 HB3 GLU A 55 -1.225 0.176 -5.457 1.00 22.12 H new ATOM 0 HG2 GLU A 55 -0.675 -1.306 -7.222 1.00 52.15 H new ATOM 0 HG3 GLU A 55 -2.376 -0.939 -7.428 1.00 52.15 H new ATOM 833 N THR A 56 -4.636 1.915 -5.627 1.00 51.04 N ATOM 834 CA THR A 56 -5.867 1.509 -4.961 1.00 74.12 C ATOM 835 C THR A 56 -7.075 2.225 -5.554 1.00 52.41 C ATOM 836 O THR A 56 -7.082 3.450 -5.682 1.00 44.00 O ATOM 837 CB THR A 56 -5.807 1.794 -3.448 1.00 64.13 C ATOM 838 OG1 THR A 56 -5.930 3.201 -3.210 1.00 51.33 O ATOM 839 CG2 THR A 56 -4.504 1.285 -2.852 1.00 31.33 C ATOM 0 H THR A 56 -4.620 2.890 -5.927 1.00 51.04 H new ATOM 0 HA THR A 56 -5.972 0.435 -5.117 1.00 74.12 H new ATOM 0 HB THR A 56 -6.635 1.271 -2.969 1.00 64.13 H new ATOM 0 HG1 THR A 56 -5.040 3.612 -3.213 1.00 51.33 H new ATOM 0 HG21 THR A 56 -4.485 1.498 -1.783 1.00 31.33 H new ATOM 0 HG22 THR A 56 -4.428 0.209 -3.009 1.00 31.33 H new ATOM 0 HG23 THR A 56 -3.664 1.783 -3.336 1.00 31.33 H new ATOM 847 N LEU A 57 -8.095 1.454 -5.914 1.00 24.43 N ATOM 848 CA LEU A 57 -9.310 2.016 -6.494 1.00 63.25 C ATOM 849 C LEU A 57 -9.873 3.124 -5.611 1.00 11.33 C ATOM 850 O LEU A 57 -10.515 4.055 -6.099 1.00 23.03 O ATOM 851 CB LEU A 57 -10.360 0.920 -6.687 1.00 21.12 C ATOM 852 CG LEU A 57 -10.721 0.583 -8.134 1.00 0.14 C ATOM 853 CD1 LEU A 57 -9.467 0.286 -8.941 1.00 23.54 C ATOM 854 CD2 LEU A 57 -11.681 -0.597 -8.184 1.00 41.01 C ATOM 0 H LEU A 57 -8.105 0.439 -5.815 1.00 24.43 H new ATOM 0 HA LEU A 57 -9.056 2.443 -7.464 1.00 63.25 H new ATOM 0 HB2 LEU A 57 -10.001 0.012 -6.202 1.00 21.12 H new ATOM 0 HB3 LEU A 57 -11.270 1.221 -6.167 1.00 21.12 H new ATOM 0 HG LEU A 57 -11.217 1.448 -8.575 1.00 0.14 H new ATOM 0 HD11 LEU A 57 -9.743 0.048 -9.968 1.00 23.54 H new ATOM 0 HD12 LEU A 57 -8.814 1.159 -8.934 1.00 23.54 H new ATOM 0 HD13 LEU A 57 -8.943 -0.562 -8.500 1.00 23.54 H new ATOM 0 HD21 LEU A 57 -11.927 -0.822 -9.222 1.00 41.01 H new ATOM 0 HD22 LEU A 57 -11.212 -1.467 -7.725 1.00 41.01 H new ATOM 0 HD23 LEU A 57 -12.593 -0.348 -7.641 1.00 41.01 H new ATOM 866 N ASP A 58 -9.626 3.021 -4.310 1.00 30.00 N ATOM 867 CA ASP A 58 -10.105 4.017 -3.359 1.00 51.33 C ATOM 868 C ASP A 58 -9.380 5.345 -3.552 1.00 53.21 C ATOM 869 O ASP A 58 -10.011 6.395 -3.668 1.00 20.03 O ATOM 870 CB ASP A 58 -9.911 3.519 -1.926 1.00 40.23 C ATOM 871 CG ASP A 58 -10.971 2.518 -1.513 1.00 54.43 C ATOM 872 OD1 ASP A 58 -10.640 1.319 -1.389 1.00 12.30 O ATOM 873 OD2 ASP A 58 -12.132 2.932 -1.312 1.00 35.21 O ATOM 0 H ASP A 58 -9.096 2.257 -3.890 1.00 30.00 H new ATOM 0 HA ASP A 58 -11.168 4.175 -3.540 1.00 51.33 H new ATOM 0 HB2 ASP A 58 -8.927 3.060 -1.834 1.00 40.23 H new ATOM 0 HB3 ASP A 58 -9.932 4.368 -1.243 1.00 40.23 H new ATOM 878 N GLN A 59 -8.053 5.290 -3.583 1.00 23.32 N ATOM 879 CA GLN A 59 -7.242 6.489 -3.760 1.00 23.23 C ATOM 880 C GLN A 59 -7.489 7.116 -5.129 1.00 11.32 C ATOM 881 O GLN A 59 -7.625 8.334 -5.250 1.00 33.12 O ATOM 882 CB GLN A 59 -5.758 6.157 -3.599 1.00 71.44 C ATOM 883 CG GLN A 59 -5.337 5.935 -2.155 1.00 44.21 C ATOM 884 CD GLN A 59 -3.895 5.485 -2.029 1.00 5.01 C ATOM 885 OE1 GLN A 59 -3.524 4.466 -2.796 1.00 2.21 O flip ATOM 886 NE2 GLN A 59 -3.123 6.046 -1.251 1.00 2.32 N flip ATOM 0 H GLN A 59 -7.516 4.428 -3.488 1.00 23.32 H new ATOM 0 HA GLN A 59 -7.531 7.208 -2.993 1.00 23.23 H new ATOM 0 HB2 GLN A 59 -5.530 5.261 -4.177 1.00 71.44 H new ATOM 0 HB3 GLN A 59 -5.165 6.968 -4.021 1.00 71.44 H new ATOM 0 HG2 GLN A 59 -5.475 6.859 -1.594 1.00 44.21 H new ATOM 0 HG3 GLN A 59 -5.988 5.187 -1.702 1.00 44.21 H new ATOM 0 HE21 GLN A 59 -3.451 6.825 -0.680 1.00 2.32 H new ATOM 0 HE22 GLN A 59 -2.156 5.731 -1.177 1.00 2.32 H new ATOM 895 N LEU A 60 -7.545 6.277 -6.157 1.00 63.03 N ATOM 896 CA LEU A 60 -7.776 6.749 -7.518 1.00 52.45 C ATOM 897 C LEU A 60 -9.171 7.348 -7.657 1.00 43.12 C ATOM 898 O LEU A 60 -9.397 8.235 -8.481 1.00 72.14 O ATOM 899 CB LEU A 60 -7.600 5.600 -8.513 1.00 35.21 C ATOM 900 CG LEU A 60 -6.217 5.475 -9.155 1.00 42.33 C ATOM 901 CD1 LEU A 60 -5.864 6.745 -9.913 1.00 64.10 C ATOM 902 CD2 LEU A 60 -5.164 5.171 -8.100 1.00 52.33 C ATOM 0 H LEU A 60 -7.434 5.266 -6.074 1.00 63.03 H new ATOM 0 HA LEU A 60 -7.044 7.527 -7.736 1.00 52.45 H new ATOM 0 HB2 LEU A 60 -7.827 4.665 -8.001 1.00 35.21 H new ATOM 0 HB3 LEU A 60 -8.338 5.717 -9.307 1.00 35.21 H new ATOM 0 HG LEU A 60 -6.240 4.648 -9.864 1.00 42.33 H new ATOM 0 HD11 LEU A 60 -4.877 6.638 -10.363 1.00 64.10 H new ATOM 0 HD12 LEU A 60 -6.603 6.919 -10.696 1.00 64.10 H new ATOM 0 HD13 LEU A 60 -5.859 7.590 -9.225 1.00 64.10 H new ATOM 0 HD21 LEU A 60 -4.187 5.086 -8.575 1.00 52.33 H new ATOM 0 HD22 LEU A 60 -5.141 5.976 -7.366 1.00 52.33 H new ATOM 0 HD23 LEU A 60 -5.408 4.233 -7.602 1.00 52.33 H new ATOM 914 N ARG A 61 -10.104 6.860 -6.846 1.00 63.33 N ATOM 915 CA ARG A 61 -11.477 7.348 -6.879 1.00 32.30 C ATOM 916 C ARG A 61 -11.590 8.698 -6.177 1.00 65.13 C ATOM 917 O ARG A 61 -12.419 9.533 -6.544 1.00 61.45 O ATOM 918 CB ARG A 61 -12.416 6.337 -6.218 1.00 71.21 C ATOM 919 CG ARG A 61 -13.836 6.850 -6.040 1.00 63.52 C ATOM 920 CD ARG A 61 -14.096 7.282 -4.605 1.00 43.11 C ATOM 921 NE ARG A 61 -14.313 6.140 -3.720 1.00 24.32 N ATOM 922 CZ ARG A 61 -15.449 5.453 -3.672 1.00 15.15 C ATOM 923 NH1 ARG A 61 -16.465 5.791 -4.453 1.00 52.14 N ATOM 924 NH2 ARG A 61 -15.569 4.426 -2.840 1.00 34.23 N ATOM 0 H ARG A 61 -9.934 6.127 -6.158 1.00 63.33 H new ATOM 0 HA ARG A 61 -11.767 7.474 -7.922 1.00 32.30 H new ATOM 0 HB2 ARG A 61 -12.440 5.429 -6.820 1.00 71.21 H new ATOM 0 HB3 ARG A 61 -12.013 6.063 -5.243 1.00 71.21 H new ATOM 0 HG2 ARG A 61 -14.007 7.692 -6.711 1.00 63.52 H new ATOM 0 HG3 ARG A 61 -14.544 6.070 -6.320 1.00 63.52 H new ATOM 0 HD2 ARG A 61 -13.249 7.865 -4.243 1.00 43.11 H new ATOM 0 HD3 ARG A 61 -14.969 7.935 -4.575 1.00 43.11 H new ATOM 0 HE ARG A 61 -13.551 5.855 -3.105 1.00 24.32 H new ATOM 0 HH11 ARG A 61 -16.376 6.580 -5.093 1.00 52.14 H new ATOM 0 HH12 ARG A 61 -17.336 5.262 -4.414 1.00 52.14 H new ATOM 0 HH21 ARG A 61 -14.789 4.164 -2.237 1.00 34.23 H new ATOM 0 HH22 ARG A 61 -16.441 3.899 -2.803 1.00 34.23 H new ATOM 938 N LEU A 62 -10.754 8.906 -5.167 1.00 44.15 N ATOM 939 CA LEU A 62 -10.760 10.155 -4.413 1.00 51.42 C ATOM 940 C LEU A 62 -10.049 11.260 -5.185 1.00 31.45 C ATOM 941 O LEU A 62 -10.464 12.420 -5.155 1.00 34.52 O ATOM 942 CB LEU A 62 -10.091 9.955 -3.052 1.00 60.30 C ATOM 943 CG LEU A 62 -10.926 10.341 -1.830 1.00 50.20 C ATOM 944 CD1 LEU A 62 -11.304 11.813 -1.885 1.00 61.32 C ATOM 945 CD2 LEU A 62 -12.172 9.472 -1.740 1.00 53.12 C ATOM 0 H LEU A 62 -10.063 8.226 -4.851 1.00 44.15 H new ATOM 0 HA LEU A 62 -11.797 10.454 -4.260 1.00 51.42 H new ATOM 0 HB2 LEU A 62 -9.810 8.906 -2.958 1.00 60.30 H new ATOM 0 HB3 LEU A 62 -9.168 10.535 -3.034 1.00 60.30 H new ATOM 0 HG LEU A 62 -10.325 10.174 -0.936 1.00 50.20 H new ATOM 0 HD11 LEU A 62 -11.898 12.069 -1.008 1.00 61.32 H new ATOM 0 HD12 LEU A 62 -10.399 12.421 -1.901 1.00 61.32 H new ATOM 0 HD13 LEU A 62 -11.886 12.006 -2.786 1.00 61.32 H new ATOM 0 HD21 LEU A 62 -12.754 9.760 -0.865 1.00 53.12 H new ATOM 0 HD22 LEU A 62 -12.775 9.607 -2.638 1.00 53.12 H new ATOM 0 HD23 LEU A 62 -11.880 8.425 -1.653 1.00 53.12 H new ATOM 957 N VAL A 63 -8.975 10.894 -5.878 1.00 22.02 N ATOM 958 CA VAL A 63 -8.206 11.855 -6.662 1.00 42.44 C ATOM 959 C VAL A 63 -8.945 12.236 -7.941 1.00 15.21 C ATOM 960 O VAL A 63 -8.844 13.369 -8.412 1.00 21.53 O ATOM 961 CB VAL A 63 -6.820 11.296 -7.031 1.00 14.11 C ATOM 962 CG1 VAL A 63 -6.956 10.092 -7.950 1.00 62.10 C ATOM 963 CG2 VAL A 63 -5.966 12.376 -7.678 1.00 73.00 C ATOM 0 H VAL A 63 -8.617 9.939 -5.913 1.00 22.02 H new ATOM 0 HA VAL A 63 -8.078 12.742 -6.041 1.00 42.44 H new ATOM 0 HB VAL A 63 -6.324 10.970 -6.117 1.00 14.11 H new ATOM 0 HG11 VAL A 63 -5.966 9.711 -8.200 1.00 62.10 H new ATOM 0 HG12 VAL A 63 -7.528 9.313 -7.447 1.00 62.10 H new ATOM 0 HG13 VAL A 63 -7.472 10.388 -8.864 1.00 62.10 H new ATOM 0 HG21 VAL A 63 -4.990 11.964 -7.933 1.00 73.00 H new ATOM 0 HG22 VAL A 63 -6.456 12.734 -8.583 1.00 73.00 H new ATOM 0 HG23 VAL A 63 -5.840 13.205 -6.982 1.00 73.00 H new ATOM 973 N ILE A 64 -9.688 11.285 -8.495 1.00 43.51 N ATOM 974 CA ILE A 64 -10.445 11.522 -9.718 1.00 14.45 C ATOM 975 C ILE A 64 -11.738 12.278 -9.426 1.00 73.32 C ATOM 976 O ILE A 64 -12.212 13.060 -10.251 1.00 31.42 O ATOM 977 CB ILE A 64 -10.785 10.203 -10.435 1.00 52.03 C ATOM 978 CG1 ILE A 64 -11.333 10.484 -11.835 1.00 3.50 C ATOM 979 CG2 ILE A 64 -11.788 9.400 -9.619 1.00 34.45 C ATOM 980 CD1 ILE A 64 -11.709 9.234 -12.600 1.00 11.50 C ATOM 0 H ILE A 64 -9.782 10.343 -8.117 1.00 43.51 H new ATOM 0 HA ILE A 64 -9.812 12.126 -10.369 1.00 14.45 H new ATOM 0 HB ILE A 64 -9.872 9.615 -10.534 1.00 52.03 H new ATOM 0 HG12 ILE A 64 -12.210 11.126 -11.751 1.00 3.50 H new ATOM 0 HG13 ILE A 64 -10.586 11.037 -12.404 1.00 3.50 H new ATOM 0 HG21 ILE A 64 -12.019 8.470 -10.139 1.00 34.45 H new ATOM 0 HG22 ILE A 64 -11.363 9.173 -8.641 1.00 34.45 H new ATOM 0 HG23 ILE A 64 -12.702 9.981 -9.492 1.00 34.45 H new ATOM 0 HD11 ILE A 64 -12.090 9.510 -13.583 1.00 11.50 H new ATOM 0 HD12 ILE A 64 -10.830 8.600 -12.716 1.00 11.50 H new ATOM 0 HD13 ILE A 64 -12.479 8.690 -12.053 1.00 11.50 H new ATOM 992 N CYS A 65 -12.303 12.039 -8.247 1.00 64.20 N ATOM 993 CA CYS A 65 -13.541 12.696 -7.846 1.00 12.44 C ATOM 994 C CYS A 65 -13.285 14.153 -7.471 1.00 4.24 C ATOM 995 O CYS A 65 -14.092 15.033 -7.774 1.00 24.40 O ATOM 996 CB CYS A 65 -14.176 11.958 -6.668 1.00 52.34 C ATOM 997 SG CYS A 65 -15.807 12.583 -6.197 1.00 61.33 S ATOM 0 H CYS A 65 -11.923 11.395 -7.553 1.00 64.20 H new ATOM 0 HA CYS A 65 -14.228 12.672 -8.692 1.00 12.44 H new ATOM 0 HB2 CYS A 65 -14.263 10.901 -6.920 1.00 52.34 H new ATOM 0 HB3 CYS A 65 -13.510 12.027 -5.808 1.00 52.34 H new ATOM 0 HG CYS A 65 -16.263 11.894 -5.193 1.00 61.33 H new ATOM 1003 N ASP A 66 -12.160 14.399 -6.809 1.00 44.51 N ATOM 1004 CA ASP A 66 -11.799 15.749 -6.391 1.00 20.23 C ATOM 1005 C ASP A 66 -11.256 16.555 -7.568 1.00 72.52 C ATOM 1006 O ASP A 66 -11.680 17.685 -7.808 1.00 52.51 O ATOM 1007 CB ASP A 66 -10.761 15.698 -5.270 1.00 55.02 C ATOM 1008 CG ASP A 66 -11.396 15.587 -3.898 1.00 51.53 C ATOM 1009 OD1 ASP A 66 -12.125 14.601 -3.659 1.00 54.52 O ATOM 1010 OD2 ASP A 66 -11.164 16.485 -3.062 1.00 12.53 O ATOM 0 H ASP A 66 -11.482 13.682 -6.550 1.00 44.51 H new ATOM 0 HA ASP A 66 -12.698 16.241 -6.021 1.00 20.23 H new ATOM 0 HB2 ASP A 66 -10.099 14.847 -5.431 1.00 55.02 H new ATOM 0 HB3 ASP A 66 -10.143 16.595 -5.310 1.00 55.02 H new ATOM 1015 N LEU A 67 -10.314 15.965 -8.297 1.00 44.32 N ATOM 1016 CA LEU A 67 -9.712 16.628 -9.448 1.00 52.23 C ATOM 1017 C LEU A 67 -10.772 16.996 -10.481 1.00 45.23 C ATOM 1018 O LEU A 67 -10.777 18.107 -11.011 1.00 22.21 O ATOM 1019 CB LEU A 67 -8.654 15.726 -10.085 1.00 71.43 C ATOM 1020 CG LEU A 67 -8.017 16.245 -11.374 1.00 44.23 C ATOM 1021 CD1 LEU A 67 -6.994 17.327 -11.067 1.00 70.23 C ATOM 1022 CD2 LEU A 67 -7.373 15.103 -12.148 1.00 53.35 C ATOM 0 H LEU A 67 -9.951 15.030 -8.111 1.00 44.32 H new ATOM 0 HA LEU A 67 -9.237 17.545 -9.100 1.00 52.23 H new ATOM 0 HB2 LEU A 67 -7.863 15.557 -9.355 1.00 71.43 H new ATOM 0 HB3 LEU A 67 -9.109 14.757 -10.293 1.00 71.43 H new ATOM 0 HG LEU A 67 -8.801 16.681 -11.993 1.00 44.23 H new ATOM 0 HD11 LEU A 67 -6.552 17.684 -11.997 1.00 70.23 H new ATOM 0 HD12 LEU A 67 -7.484 18.156 -10.556 1.00 70.23 H new ATOM 0 HD13 LEU A 67 -6.212 16.918 -10.427 1.00 70.23 H new ATOM 0 HD21 LEU A 67 -6.925 15.491 -13.063 1.00 53.35 H new ATOM 0 HD22 LEU A 67 -6.602 14.637 -11.535 1.00 53.35 H new ATOM 0 HD23 LEU A 67 -8.131 14.362 -12.402 1.00 53.35 H new ATOM 1034 N GLN A 68 -11.669 16.056 -10.761 1.00 62.52 N ATOM 1035 CA GLN A 68 -12.735 16.282 -11.730 1.00 22.21 C ATOM 1036 C GLN A 68 -13.704 17.351 -11.235 1.00 35.31 C ATOM 1037 O GLN A 68 -13.901 18.374 -11.890 1.00 54.45 O ATOM 1038 CB GLN A 68 -13.490 14.980 -12.003 1.00 41.20 C ATOM 1039 CG GLN A 68 -14.508 15.091 -13.127 1.00 60.22 C ATOM 1040 CD GLN A 68 -14.755 13.768 -13.824 1.00 34.30 C ATOM 1041 OE1 GLN A 68 -14.451 13.610 -15.006 1.00 24.52 O ATOM 1042 NE2 GLN A 68 -15.308 12.807 -13.093 1.00 12.53 N ATOM 0 H GLN A 68 -11.679 15.131 -10.331 1.00 62.52 H new ATOM 0 HA GLN A 68 -12.280 16.631 -12.657 1.00 22.21 H new ATOM 0 HB2 GLN A 68 -12.772 14.198 -12.250 1.00 41.20 H new ATOM 0 HB3 GLN A 68 -14.000 14.668 -11.092 1.00 41.20 H new ATOM 0 HG2 GLN A 68 -15.449 15.466 -12.724 1.00 60.22 H new ATOM 0 HG3 GLN A 68 -14.160 15.822 -13.857 1.00 60.22 H new ATOM 0 HE21 GLN A 68 -15.544 12.981 -12.116 1.00 12.53 H new ATOM 0 HE22 GLN A 68 -15.497 11.895 -13.508 1.00 12.53 H new ATOM 1051 N GLU A 69 -14.305 17.105 -10.074 1.00 34.33 N ATOM 1052 CA GLU A 69 -15.253 18.047 -9.492 1.00 5.50 C ATOM 1053 C GLU A 69 -14.620 19.426 -9.327 1.00 63.23 C ATOM 1054 O GLU A 69 -15.310 20.446 -9.359 1.00 65.42 O ATOM 1055 CB GLU A 69 -15.748 17.535 -8.138 1.00 2.22 C ATOM 1056 CG GLU A 69 -16.896 18.349 -7.562 1.00 73.42 C ATOM 1057 CD GLU A 69 -16.461 19.239 -6.414 1.00 43.51 C ATOM 1058 OE1 GLU A 69 -17.115 19.195 -5.351 1.00 40.44 O ATOM 1059 OE2 GLU A 69 -15.470 19.979 -6.579 1.00 13.34 O ATOM 0 H GLU A 69 -14.152 16.263 -9.520 1.00 34.33 H new ATOM 0 HA GLU A 69 -16.101 18.136 -10.171 1.00 5.50 H new ATOM 0 HB2 GLU A 69 -16.067 16.498 -8.246 1.00 2.22 H new ATOM 0 HB3 GLU A 69 -14.918 17.542 -7.431 1.00 2.22 H new ATOM 0 HG2 GLU A 69 -17.331 18.964 -8.349 1.00 73.42 H new ATOM 0 HG3 GLU A 69 -17.678 17.673 -7.217 1.00 73.42 H new ATOM 1066 N ARG A 70 -13.304 19.448 -9.150 1.00 74.11 N ATOM 1067 CA ARG A 70 -12.577 20.700 -8.977 1.00 21.03 C ATOM 1068 C ARG A 70 -12.609 21.528 -10.259 1.00 70.51 C ATOM 1069 O ARG A 70 -13.180 22.618 -10.291 1.00 73.10 O ATOM 1070 CB ARG A 70 -11.128 20.422 -8.574 1.00 35.14 C ATOM 1071 CG ARG A 70 -10.912 20.383 -7.070 1.00 71.04 C ATOM 1072 CD ARG A 70 -9.490 19.972 -6.722 1.00 61.52 C ATOM 1073 NE ARG A 70 -9.092 20.441 -5.397 1.00 40.10 N ATOM 1074 CZ ARG A 70 -9.581 19.946 -4.265 1.00 60.31 C ATOM 1075 NH1 ARG A 70 -10.480 18.972 -4.297 1.00 22.23 N ATOM 1076 NH2 ARG A 70 -9.170 20.426 -3.099 1.00 12.20 N ATOM 0 H ARG A 70 -12.719 18.613 -9.123 1.00 74.11 H new ATOM 0 HA ARG A 70 -13.065 21.268 -8.185 1.00 21.03 H new ATOM 0 HB2 ARG A 70 -10.817 19.469 -9.002 1.00 35.14 H new ATOM 0 HB3 ARG A 70 -10.486 21.190 -9.005 1.00 35.14 H new ATOM 0 HG2 ARG A 70 -11.122 21.365 -6.646 1.00 71.04 H new ATOM 0 HG3 ARG A 70 -11.615 19.683 -6.618 1.00 71.04 H new ATOM 0 HD2 ARG A 70 -9.407 18.886 -6.762 1.00 61.52 H new ATOM 0 HD3 ARG A 70 -8.804 20.372 -7.469 1.00 61.52 H new ATOM 0 HE ARG A 70 -8.401 21.189 -5.338 1.00 40.10 H new ATOM 0 HH11 ARG A 70 -10.798 18.601 -5.192 1.00 22.23 H new ATOM 0 HH12 ARG A 70 -10.854 18.594 -3.426 1.00 22.23 H new ATOM 0 HH21 ARG A 70 -8.478 21.175 -3.071 1.00 12.20 H new ATOM 0 HH22 ARG A 70 -9.545 20.046 -2.230 1.00 12.20 H new ATOM 1090 N ARG A 71 -11.993 21.002 -11.312 1.00 34.14 N ATOM 1091 CA ARG A 71 -11.949 21.694 -12.596 1.00 74.21 C ATOM 1092 C ARG A 71 -13.353 21.878 -13.161 1.00 4.51 C ATOM 1093 O ARG A 71 -13.726 22.974 -13.578 1.00 13.13 O ATOM 1094 CB ARG A 71 -11.086 20.915 -13.589 1.00 12.13 C ATOM 1095 CG ARG A 71 -10.994 21.568 -14.958 1.00 23.34 C ATOM 1096 CD ARG A 71 -10.573 23.025 -14.855 1.00 34.31 C ATOM 1097 NE ARG A 71 -9.321 23.181 -14.116 1.00 3.44 N ATOM 1098 CZ ARG A 71 -8.540 24.250 -14.213 1.00 33.22 C ATOM 1099 NH1 ARG A 71 -8.878 25.252 -15.012 1.00 21.14 N ATOM 1100 NH2 ARG A 71 -7.417 24.319 -13.509 1.00 25.00 N ATOM 0 H ARG A 71 -11.518 20.100 -11.302 1.00 34.14 H new ATOM 0 HA ARG A 71 -11.508 22.678 -12.436 1.00 74.21 H new ATOM 0 HB2 ARG A 71 -10.082 20.808 -13.179 1.00 12.13 H new ATOM 0 HB3 ARG A 71 -11.493 19.910 -13.702 1.00 12.13 H new ATOM 0 HG2 ARG A 71 -10.278 21.024 -15.574 1.00 23.34 H new ATOM 0 HG3 ARG A 71 -11.960 21.502 -15.459 1.00 23.34 H new ATOM 0 HD2 ARG A 71 -10.458 23.441 -15.856 1.00 34.31 H new ATOM 0 HD3 ARG A 71 -11.359 23.596 -14.361 1.00 34.31 H new ATOM 0 HE ARG A 71 -9.032 22.428 -13.492 1.00 3.44 H new ATOM 0 HH11 ARG A 71 -9.740 25.203 -15.555 1.00 21.14 H new ATOM 0 HH12 ARG A 71 -8.276 26.072 -15.084 1.00 21.14 H new ATOM 0 HH21 ARG A 71 -7.153 23.550 -12.893 1.00 25.00 H new ATOM 0 HH22 ARG A 71 -6.818 25.141 -13.584 1.00 25.00 H new ATOM 1114 N GLU A 72 -14.128 20.798 -13.173 1.00 73.02 N ATOM 1115 CA GLU A 72 -15.491 20.841 -13.690 1.00 53.33 C ATOM 1116 C GLU A 72 -16.266 22.008 -13.083 1.00 54.11 C ATOM 1117 O GLU A 72 -16.978 22.727 -13.784 1.00 1.23 O ATOM 1118 CB GLU A 72 -16.215 19.526 -13.394 1.00 55.01 C ATOM 1119 CG GLU A 72 -15.737 18.363 -14.248 1.00 52.43 C ATOM 1120 CD GLU A 72 -16.502 18.245 -15.551 1.00 24.11 C ATOM 1121 OE1 GLU A 72 -16.896 17.115 -15.908 1.00 51.32 O ATOM 1122 OE2 GLU A 72 -16.706 19.282 -16.217 1.00 54.51 O ATOM 0 H GLU A 72 -13.835 19.883 -12.831 1.00 73.02 H new ATOM 0 HA GLU A 72 -15.438 20.983 -14.769 1.00 53.33 H new ATOM 0 HB2 GLU A 72 -16.078 19.274 -12.342 1.00 55.01 H new ATOM 0 HB3 GLU A 72 -17.284 19.666 -13.551 1.00 55.01 H new ATOM 0 HG2 GLU A 72 -14.676 18.487 -14.464 1.00 52.43 H new ATOM 0 HG3 GLU A 72 -15.841 17.436 -13.684 1.00 52.43 H new ATOM 1129 N LYS A 73 -16.122 22.190 -11.775 1.00 33.31 N ATOM 1130 CA LYS A 73 -16.806 23.268 -11.072 1.00 74.13 C ATOM 1131 C LYS A 73 -16.266 24.628 -11.503 1.00 21.41 C ATOM 1132 O LYS A 73 -17.003 25.614 -11.547 1.00 33.23 O ATOM 1133 CB LYS A 73 -16.645 23.101 -9.558 1.00 3.11 C ATOM 1134 CG LYS A 73 -17.205 24.262 -8.756 1.00 44.53 C ATOM 1135 CD LYS A 73 -16.919 24.104 -7.272 1.00 61.42 C ATOM 1136 CE LYS A 73 -18.163 24.359 -6.434 1.00 34.30 C ATOM 1137 NZ LYS A 73 -17.848 24.414 -4.979 1.00 43.41 N ATOM 0 H LYS A 73 -15.537 21.604 -11.180 1.00 33.31 H new ATOM 0 HA LYS A 73 -17.865 23.219 -11.327 1.00 74.13 H new ATOM 0 HB2 LYS A 73 -17.142 22.182 -9.247 1.00 3.11 H new ATOM 0 HB3 LYS A 73 -15.587 22.986 -9.324 1.00 3.11 H new ATOM 0 HG2 LYS A 73 -16.771 25.196 -9.114 1.00 44.53 H new ATOM 0 HG3 LYS A 73 -18.281 24.330 -8.915 1.00 44.53 H new ATOM 0 HD2 LYS A 73 -16.548 23.098 -7.077 1.00 61.42 H new ATOM 0 HD3 LYS A 73 -16.132 24.797 -6.976 1.00 61.42 H new ATOM 0 HE2 LYS A 73 -18.623 25.298 -6.742 1.00 34.30 H new ATOM 0 HE3 LYS A 73 -18.893 23.571 -6.618 1.00 34.30 H new ATOM 0 HZ1 LYS A 73 -18.721 24.589 -4.441 1.00 43.41 H new ATOM 0 HZ2 LYS A 73 -17.433 23.509 -4.679 1.00 43.41 H new ATOM 0 HZ3 LYS A 73 -17.170 25.182 -4.799 1.00 43.41 H new ATOM 1151 N PHE A 74 -14.976 24.673 -11.823 1.00 45.43 N ATOM 1152 CA PHE A 74 -14.339 25.911 -12.253 1.00 0.44 C ATOM 1153 C PHE A 74 -14.426 26.071 -13.768 1.00 34.15 C ATOM 1154 O PHE A 74 -13.913 27.037 -14.332 1.00 54.41 O ATOM 1155 CB PHE A 74 -12.875 25.938 -11.808 1.00 63.42 C ATOM 1156 CG PHE A 74 -12.620 26.841 -10.636 1.00 63.43 C ATOM 1157 CD1 PHE A 74 -13.327 26.682 -9.456 1.00 41.22 C ATOM 1158 CD2 PHE A 74 -11.673 27.849 -10.715 1.00 24.41 C ATOM 1159 CE1 PHE A 74 -13.094 27.510 -8.374 1.00 11.55 C ATOM 1160 CE2 PHE A 74 -11.435 28.681 -9.637 1.00 4.23 C ATOM 1161 CZ PHE A 74 -12.148 28.513 -8.466 1.00 64.52 C ATOM 0 H PHE A 74 -14.353 23.866 -11.792 1.00 45.43 H new ATOM 0 HA PHE A 74 -14.868 26.743 -11.788 1.00 0.44 H new ATOM 0 HB2 PHE A 74 -12.563 24.926 -11.551 1.00 63.42 H new ATOM 0 HB3 PHE A 74 -12.255 26.259 -12.645 1.00 63.42 H new ATOM 0 HD1 PHE A 74 -14.070 25.901 -9.380 1.00 41.22 H new ATOM 0 HD2 PHE A 74 -11.114 27.986 -11.629 1.00 24.41 H new ATOM 0 HE1 PHE A 74 -13.650 27.373 -7.458 1.00 11.55 H new ATOM 0 HE2 PHE A 74 -10.692 29.462 -9.710 1.00 4.23 H new ATOM 0 HZ PHE A 74 -11.966 29.164 -7.624 1.00 64.52 H new ATOM 1171 N GLY A 75 -15.077 25.114 -14.421 1.00 4.52 N ATOM 1172 CA GLY A 75 -15.219 25.167 -15.865 1.00 44.04 C ATOM 1173 C GLY A 75 -14.751 23.892 -16.539 1.00 23.04 C ATOM 1174 O GLY A 75 -14.736 22.826 -15.925 1.00 13.02 O ATOM 0 H GLY A 75 -15.508 24.303 -13.977 1.00 4.52 H new ATOM 0 HA2 GLY A 75 -16.264 25.346 -16.118 1.00 44.04 H new ATOM 0 HA3 GLY A 75 -14.648 26.011 -16.253 1.00 44.04 H new ATOM 1178 N SER A 76 -14.371 24.001 -17.808 1.00 34.03 N ATOM 1179 CA SER A 76 -13.905 22.848 -18.569 1.00 75.45 C ATOM 1180 C SER A 76 -12.462 23.043 -19.023 1.00 24.22 C ATOM 1181 O SER A 76 -12.022 24.167 -19.263 1.00 73.11 O ATOM 1182 CB SER A 76 -14.807 22.612 -19.781 1.00 62.23 C ATOM 1183 OG SER A 76 -15.976 21.900 -19.417 1.00 51.44 O ATOM 0 H SER A 76 -14.377 24.877 -18.331 1.00 34.03 H new ATOM 0 HA SER A 76 -13.947 21.974 -17.919 1.00 75.45 H new ATOM 0 HB2 SER A 76 -15.084 23.569 -20.224 1.00 62.23 H new ATOM 0 HB3 SER A 76 -14.260 22.055 -20.542 1.00 62.23 H new ATOM 0 HG SER A 76 -16.536 21.764 -20.210 1.00 51.44 H new ATOM 1189 N SER A 77 -11.730 21.939 -19.140 1.00 24.23 N ATOM 1190 CA SER A 77 -10.335 21.988 -19.564 1.00 42.45 C ATOM 1191 C SER A 77 -9.869 20.621 -20.055 1.00 13.14 C ATOM 1192 O SER A 77 -10.046 19.610 -19.375 1.00 40.32 O ATOM 1193 CB SER A 77 -9.448 22.459 -18.411 1.00 33.42 C ATOM 1194 OG SER A 77 -8.990 21.363 -17.638 1.00 75.21 O ATOM 0 H SER A 77 -12.080 21.000 -18.947 1.00 24.23 H new ATOM 0 HA SER A 77 -10.254 22.697 -20.388 1.00 42.45 H new ATOM 0 HB2 SER A 77 -8.595 23.011 -18.806 1.00 33.42 H new ATOM 0 HB3 SER A 77 -10.006 23.147 -17.776 1.00 33.42 H new ATOM 0 HG SER A 77 -9.449 20.546 -17.925 1.00 75.21 H new ATOM 1200 N LYS A 78 -9.270 20.598 -21.240 1.00 1.32 N ATOM 1201 CA LYS A 78 -8.775 19.357 -21.824 1.00 44.10 C ATOM 1202 C LYS A 78 -7.624 18.789 -21.000 1.00 10.10 C ATOM 1203 O LYS A 78 -7.320 17.599 -21.082 1.00 14.21 O ATOM 1204 CB LYS A 78 -8.315 19.595 -23.265 1.00 4.31 C ATOM 1205 CG LYS A 78 -8.067 18.315 -24.043 1.00 25.33 C ATOM 1206 CD LYS A 78 -8.126 18.553 -25.543 1.00 75.22 C ATOM 1207 CE LYS A 78 -9.333 17.871 -26.168 1.00 10.24 C ATOM 1208 NZ LYS A 78 -9.193 17.741 -27.645 1.00 73.21 N ATOM 0 H LYS A 78 -9.115 21.426 -21.816 1.00 1.32 H new ATOM 0 HA LYS A 78 -9.591 18.634 -21.824 1.00 44.10 H new ATOM 0 HB2 LYS A 78 -9.069 20.186 -23.785 1.00 4.31 H new ATOM 0 HB3 LYS A 78 -7.399 20.186 -23.252 1.00 4.31 H new ATOM 0 HG2 LYS A 78 -7.091 17.909 -23.776 1.00 25.33 H new ATOM 0 HG3 LYS A 78 -8.810 17.568 -23.763 1.00 25.33 H new ATOM 0 HD2 LYS A 78 -8.169 19.624 -25.741 1.00 75.22 H new ATOM 0 HD3 LYS A 78 -7.214 18.179 -26.008 1.00 75.22 H new ATOM 0 HE2 LYS A 78 -9.461 16.882 -25.727 1.00 10.24 H new ATOM 0 HE3 LYS A 78 -10.233 18.442 -25.937 1.00 10.24 H new ATOM 0 HZ1 LYS A 78 -10.036 17.271 -28.034 1.00 73.21 H new ATOM 0 HZ2 LYS A 78 -9.097 18.686 -28.069 1.00 73.21 H new ATOM 0 HZ3 LYS A 78 -8.349 17.175 -27.865 1.00 73.21 H new ATOM 1222 N GLU A 79 -6.991 19.647 -20.206 1.00 21.23 N ATOM 1223 CA GLU A 79 -5.874 19.228 -19.368 1.00 54.02 C ATOM 1224 C GLU A 79 -6.349 18.300 -18.253 1.00 1.22 C ATOM 1225 O GLU A 79 -5.952 17.136 -18.189 1.00 40.34 O ATOM 1226 CB GLU A 79 -5.173 20.448 -18.766 1.00 70.11 C ATOM 1227 CG GLU A 79 -4.200 21.122 -19.719 1.00 53.35 C ATOM 1228 CD GLU A 79 -2.912 20.341 -19.887 1.00 62.53 C ATOM 1229 OE1 GLU A 79 -1.920 20.682 -19.210 1.00 62.50 O ATOM 1230 OE2 GLU A 79 -2.896 19.389 -20.695 1.00 64.14 O ATOM 0 H GLU A 79 -7.232 20.635 -20.126 1.00 21.23 H new ATOM 0 HA GLU A 79 -5.167 18.684 -19.995 1.00 54.02 H new ATOM 0 HB2 GLU A 79 -5.926 21.173 -18.456 1.00 70.11 H new ATOM 0 HB3 GLU A 79 -4.636 20.142 -17.868 1.00 70.11 H new ATOM 0 HG2 GLU A 79 -4.676 21.244 -20.692 1.00 53.35 H new ATOM 0 HG3 GLU A 79 -3.969 22.121 -19.350 1.00 53.35 H new ATOM 1237 N ILE A 80 -7.200 18.824 -17.378 1.00 53.10 N ATOM 1238 CA ILE A 80 -7.729 18.044 -16.266 1.00 50.23 C ATOM 1239 C ILE A 80 -8.481 16.814 -16.767 1.00 54.11 C ATOM 1240 O ILE A 80 -8.388 15.736 -16.180 1.00 12.04 O ATOM 1241 CB ILE A 80 -8.673 18.886 -15.386 1.00 60.45 C ATOM 1242 CG1 ILE A 80 -7.899 20.017 -14.708 1.00 50.43 C ATOM 1243 CG2 ILE A 80 -9.354 18.005 -14.348 1.00 2.43 C ATOM 1244 CD1 ILE A 80 -7.212 19.596 -13.428 1.00 51.12 C ATOM 0 H ILE A 80 -7.538 19.786 -17.417 1.00 53.10 H new ATOM 0 HA ILE A 80 -6.875 17.727 -15.668 1.00 50.23 H new ATOM 0 HB ILE A 80 -9.442 19.327 -16.020 1.00 60.45 H new ATOM 0 HG12 ILE A 80 -7.152 20.402 -15.402 1.00 50.43 H new ATOM 0 HG13 ILE A 80 -8.584 20.836 -14.491 1.00 50.43 H new ATOM 0 HG21 ILE A 80 -10.018 18.613 -13.734 1.00 2.43 H new ATOM 0 HG22 ILE A 80 -9.933 17.231 -14.851 1.00 2.43 H new ATOM 0 HG23 ILE A 80 -8.599 17.539 -13.715 1.00 2.43 H new ATOM 0 HD11 ILE A 80 -6.683 20.448 -13.002 1.00 51.12 H new ATOM 0 HD12 ILE A 80 -7.956 19.238 -12.716 1.00 51.12 H new ATOM 0 HD13 ILE A 80 -6.501 18.798 -13.642 1.00 51.12 H new ATOM 1256 N ASP A 81 -9.223 16.984 -17.854 1.00 5.10 N ATOM 1257 CA ASP A 81 -9.989 15.888 -18.437 1.00 51.11 C ATOM 1258 C ASP A 81 -9.081 14.710 -18.774 1.00 35.24 C ATOM 1259 O ASP A 81 -9.378 13.566 -18.433 1.00 64.14 O ATOM 1260 CB ASP A 81 -10.721 16.360 -19.693 1.00 22.53 C ATOM 1261 CG ASP A 81 -12.166 15.903 -19.728 1.00 44.11 C ATOM 1262 OD1 ASP A 81 -12.875 16.102 -18.719 1.00 11.52 O ATOM 1263 OD2 ASP A 81 -12.589 15.349 -20.764 1.00 33.41 O ATOM 0 H ASP A 81 -9.311 17.871 -18.350 1.00 5.10 H new ATOM 0 HA ASP A 81 -10.723 15.559 -17.701 1.00 51.11 H new ATOM 0 HB2 ASP A 81 -10.686 17.448 -19.743 1.00 22.53 H new ATOM 0 HB3 ASP A 81 -10.203 15.984 -20.575 1.00 22.53 H new ATOM 1268 N MET A 82 -7.971 14.999 -19.446 1.00 31.40 N ATOM 1269 CA MET A 82 -7.019 13.962 -19.830 1.00 34.23 C ATOM 1270 C MET A 82 -6.490 13.228 -18.601 1.00 1.35 C ATOM 1271 O MET A 82 -6.503 12.000 -18.548 1.00 45.14 O ATOM 1272 CB MET A 82 -5.855 14.573 -20.613 1.00 5.33 C ATOM 1273 CG MET A 82 -5.819 14.154 -22.074 1.00 72.11 C ATOM 1274 SD MET A 82 -4.493 14.957 -22.994 1.00 12.51 S ATOM 1275 CE MET A 82 -4.683 14.188 -24.601 1.00 11.33 C ATOM 0 H MET A 82 -7.709 15.941 -19.736 1.00 31.40 H new ATOM 0 HA MET A 82 -7.538 13.244 -20.465 1.00 34.23 H new ATOM 0 HB2 MET A 82 -5.921 15.660 -20.557 1.00 5.33 H new ATOM 0 HB3 MET A 82 -4.917 14.285 -20.138 1.00 5.33 H new ATOM 0 HG2 MET A 82 -5.695 13.073 -22.135 1.00 72.11 H new ATOM 0 HG3 MET A 82 -6.775 14.392 -22.540 1.00 72.11 H new ATOM 0 HE1 MET A 82 -3.931 14.583 -25.284 1.00 11.33 H new ATOM 0 HE2 MET A 82 -4.556 13.110 -24.506 1.00 11.33 H new ATOM 0 HE3 MET A 82 -5.677 14.403 -24.992 1.00 11.33 H new ATOM 1285 N ALA A 83 -6.024 13.990 -17.617 1.00 0.40 N ATOM 1286 CA ALA A 83 -5.493 13.412 -16.389 1.00 24.02 C ATOM 1287 C ALA A 83 -6.479 12.425 -15.775 1.00 45.43 C ATOM 1288 O ALA A 83 -6.083 11.402 -15.218 1.00 72.40 O ATOM 1289 CB ALA A 83 -5.153 14.510 -15.393 1.00 12.13 C ATOM 0 H ALA A 83 -6.004 15.009 -17.647 1.00 0.40 H new ATOM 0 HA ALA A 83 -4.582 12.867 -16.638 1.00 24.02 H new ATOM 0 HB1 ALA A 83 -4.758 14.064 -14.481 1.00 12.13 H new ATOM 0 HB2 ALA A 83 -4.405 15.175 -15.826 1.00 12.13 H new ATOM 0 HB3 ALA A 83 -6.052 15.079 -15.158 1.00 12.13 H new ATOM 1295 N ILE A 84 -7.767 12.739 -15.881 1.00 34.32 N ATOM 1296 CA ILE A 84 -8.810 11.878 -15.337 1.00 15.31 C ATOM 1297 C ILE A 84 -8.851 10.538 -16.062 1.00 13.35 C ATOM 1298 O ILE A 84 -8.743 9.481 -15.442 1.00 71.42 O ATOM 1299 CB ILE A 84 -10.195 12.544 -15.431 1.00 22.32 C ATOM 1300 CG1 ILE A 84 -10.214 13.849 -14.633 1.00 14.34 C ATOM 1301 CG2 ILE A 84 -11.274 11.596 -14.932 1.00 75.14 C ATOM 1302 CD1 ILE A 84 -11.154 14.890 -15.199 1.00 13.40 C ATOM 0 H ILE A 84 -8.112 13.583 -16.338 1.00 34.32 H new ATOM 0 HA ILE A 84 -8.567 11.712 -14.288 1.00 15.31 H new ATOM 0 HB ILE A 84 -10.399 12.777 -16.476 1.00 22.32 H new ATOM 0 HG12 ILE A 84 -10.502 13.632 -13.604 1.00 14.34 H new ATOM 0 HG13 ILE A 84 -9.205 14.261 -14.602 1.00 14.34 H new ATOM 0 HG21 ILE A 84 -12.247 12.082 -15.005 1.00 75.14 H new ATOM 0 HG22 ILE A 84 -11.273 10.692 -15.540 1.00 75.14 H new ATOM 0 HG23 ILE A 84 -11.076 11.334 -13.893 1.00 75.14 H new ATOM 0 HD11 ILE A 84 -11.116 15.788 -14.583 1.00 13.40 H new ATOM 0 HD12 ILE A 84 -10.854 15.136 -16.218 1.00 13.40 H new ATOM 0 HD13 ILE A 84 -12.171 14.497 -15.205 1.00 13.40 H new ATOM 1314 N VAL A 85 -9.007 10.590 -17.381 1.00 2.14 N ATOM 1315 CA VAL A 85 -9.060 9.380 -18.193 1.00 20.02 C ATOM 1316 C VAL A 85 -7.875 8.469 -17.899 1.00 75.31 C ATOM 1317 O VAL A 85 -7.982 7.244 -17.982 1.00 54.21 O ATOM 1318 CB VAL A 85 -9.075 9.714 -19.697 1.00 43.54 C ATOM 1319 CG1 VAL A 85 -9.095 8.439 -20.526 1.00 31.34 C ATOM 1320 CG2 VAL A 85 -10.267 10.597 -20.034 1.00 41.13 C ATOM 0 H VAL A 85 -9.099 11.457 -17.910 1.00 2.14 H new ATOM 0 HA VAL A 85 -9.985 8.865 -17.933 1.00 20.02 H new ATOM 0 HB VAL A 85 -8.165 10.263 -19.939 1.00 43.54 H new ATOM 0 HG11 VAL A 85 -9.105 8.694 -21.586 1.00 31.34 H new ATOM 0 HG12 VAL A 85 -8.207 7.847 -20.304 1.00 31.34 H new ATOM 0 HG13 VAL A 85 -9.987 7.861 -20.283 1.00 31.34 H new ATOM 0 HG21 VAL A 85 -10.262 10.823 -21.100 1.00 41.13 H new ATOM 0 HG22 VAL A 85 -11.190 10.076 -19.778 1.00 41.13 H new ATOM 0 HG23 VAL A 85 -10.204 11.525 -19.466 1.00 41.13 H new ATOM 1330 N THR A 86 -6.741 9.073 -17.552 1.00 45.31 N ATOM 1331 CA THR A 86 -5.534 8.316 -17.246 1.00 51.33 C ATOM 1332 C THR A 86 -5.666 7.589 -15.913 1.00 70.22 C ATOM 1333 O THR A 86 -5.494 6.371 -15.839 1.00 43.42 O ATOM 1334 CB THR A 86 -4.295 9.229 -17.199 1.00 54.01 C ATOM 1335 OG1 THR A 86 -4.056 9.798 -18.492 1.00 45.44 O ATOM 1336 CG2 THR A 86 -3.067 8.453 -16.746 1.00 5.02 C ATOM 0 H THR A 86 -6.635 10.085 -17.476 1.00 45.31 H new ATOM 0 HA THR A 86 -5.407 7.586 -18.045 1.00 51.33 H new ATOM 0 HB THR A 86 -4.486 10.027 -16.481 1.00 54.01 H new ATOM 0 HG1 THR A 86 -3.684 9.114 -19.087 1.00 45.44 H new ATOM 0 HG21 THR A 86 -2.205 9.119 -16.721 1.00 5.02 H new ATOM 0 HG22 THR A 86 -3.241 8.046 -15.750 1.00 5.02 H new ATOM 0 HG23 THR A 86 -2.875 7.637 -17.443 1.00 5.02 H new ATOM 1344 N LEU A 87 -5.971 8.341 -14.861 1.00 51.04 N ATOM 1345 CA LEU A 87 -6.127 7.766 -13.529 1.00 3.13 C ATOM 1346 C LEU A 87 -7.077 6.574 -13.557 1.00 23.52 C ATOM 1347 O LEU A 87 -6.937 5.634 -12.774 1.00 34.05 O ATOM 1348 CB LEU A 87 -6.647 8.824 -12.554 1.00 13.03 C ATOM 1349 CG LEU A 87 -5.647 9.903 -12.138 1.00 31.41 C ATOM 1350 CD1 LEU A 87 -6.347 11.014 -11.372 1.00 3.52 C ATOM 1351 CD2 LEU A 87 -4.528 9.300 -11.302 1.00 73.40 C ATOM 0 H LEU A 87 -6.115 9.350 -14.904 1.00 51.04 H new ATOM 0 HA LEU A 87 -5.150 7.419 -13.193 1.00 3.13 H new ATOM 0 HB2 LEU A 87 -7.511 9.312 -13.006 1.00 13.03 H new ATOM 0 HB3 LEU A 87 -7.000 8.319 -11.655 1.00 13.03 H new ATOM 0 HG LEU A 87 -5.210 10.332 -13.040 1.00 31.41 H new ATOM 0 HD11 LEU A 87 -5.619 11.772 -11.084 1.00 3.52 H new ATOM 0 HD12 LEU A 87 -7.111 11.466 -12.004 1.00 3.52 H new ATOM 0 HD13 LEU A 87 -6.813 10.601 -10.477 1.00 3.52 H new ATOM 0 HD21 LEU A 87 -3.826 10.083 -11.015 1.00 73.40 H new ATOM 0 HD22 LEU A 87 -4.949 8.844 -10.406 1.00 73.40 H new ATOM 0 HD23 LEU A 87 -4.007 8.541 -11.885 1.00 73.40 H new ATOM 1363 N LYS A 88 -8.044 6.616 -14.468 1.00 72.12 N ATOM 1364 CA LYS A 88 -9.017 5.538 -14.602 1.00 62.52 C ATOM 1365 C LYS A 88 -8.384 4.313 -15.256 1.00 52.31 C ATOM 1366 O LYS A 88 -8.290 3.249 -14.643 1.00 54.32 O ATOM 1367 CB LYS A 88 -10.217 6.006 -15.428 1.00 44.44 C ATOM 1368 CG LYS A 88 -11.233 6.801 -14.626 1.00 3.13 C ATOM 1369 CD LYS A 88 -12.646 6.577 -15.139 1.00 42.42 C ATOM 1370 CE LYS A 88 -13.597 7.654 -14.640 1.00 2.04 C ATOM 1371 NZ LYS A 88 -14.982 7.450 -15.147 1.00 63.05 N ATOM 0 H LYS A 88 -8.175 7.385 -15.125 1.00 72.12 H new ATOM 0 HA LYS A 88 -9.356 5.262 -13.604 1.00 62.52 H new ATOM 0 HB2 LYS A 88 -9.861 6.618 -16.257 1.00 44.44 H new ATOM 0 HB3 LYS A 88 -10.710 5.136 -15.863 1.00 44.44 H new ATOM 0 HG2 LYS A 88 -11.176 6.512 -13.576 1.00 3.13 H new ATOM 0 HG3 LYS A 88 -10.990 7.862 -14.679 1.00 3.13 H new ATOM 0 HD2 LYS A 88 -12.642 6.570 -16.229 1.00 42.42 H new ATOM 0 HD3 LYS A 88 -13.001 5.598 -14.816 1.00 42.42 H new ATOM 0 HE2 LYS A 88 -13.606 7.654 -13.550 1.00 2.04 H new ATOM 0 HE3 LYS A 88 -13.235 8.632 -14.956 1.00 2.04 H new ATOM 0 HZ1 LYS A 88 -15.664 7.777 -14.434 1.00 63.05 H new ATOM 0 HZ2 LYS A 88 -15.113 7.991 -16.025 1.00 63.05 H new ATOM 0 HZ3 LYS A 88 -15.137 6.439 -15.337 1.00 63.05 H new ATOM 1385 N VAL A 89 -7.950 4.470 -16.503 1.00 40.52 N ATOM 1386 CA VAL A 89 -7.325 3.378 -17.238 1.00 72.42 C ATOM 1387 C VAL A 89 -6.148 2.797 -16.462 1.00 33.13 C ATOM 1388 O VAL A 89 -5.824 1.616 -16.595 1.00 1.34 O ATOM 1389 CB VAL A 89 -6.834 3.842 -18.622 1.00 62.24 C ATOM 1390 CG1 VAL A 89 -5.793 4.940 -18.479 1.00 20.23 C ATOM 1391 CG2 VAL A 89 -6.277 2.666 -19.411 1.00 51.41 C ATOM 0 H VAL A 89 -8.020 5.344 -17.025 1.00 40.52 H new ATOM 0 HA VAL A 89 -8.086 2.608 -17.370 1.00 72.42 H new ATOM 0 HB VAL A 89 -7.683 4.249 -19.172 1.00 62.24 H new ATOM 0 HG11 VAL A 89 -5.458 5.255 -19.467 1.00 20.23 H new ATOM 0 HG12 VAL A 89 -6.231 5.790 -17.956 1.00 20.23 H new ATOM 0 HG13 VAL A 89 -4.943 4.563 -17.911 1.00 20.23 H new ATOM 0 HG21 VAL A 89 -5.935 3.012 -20.386 1.00 51.41 H new ATOM 0 HG22 VAL A 89 -5.440 2.227 -18.868 1.00 51.41 H new ATOM 0 HG23 VAL A 89 -7.056 1.916 -19.545 1.00 51.41 H new ATOM 1401 N PHE A 90 -5.510 3.634 -15.650 1.00 3.53 N ATOM 1402 CA PHE A 90 -4.367 3.205 -14.852 1.00 25.25 C ATOM 1403 C PHE A 90 -4.809 2.273 -13.728 1.00 51.23 C ATOM 1404 O PHE A 90 -4.323 1.148 -13.612 1.00 21.12 O ATOM 1405 CB PHE A 90 -3.641 4.418 -14.269 1.00 34.45 C ATOM 1406 CG PHE A 90 -2.184 4.170 -13.996 1.00 10.31 C ATOM 1407 CD1 PHE A 90 -1.788 3.131 -13.171 1.00 55.22 C ATOM 1408 CD2 PHE A 90 -1.212 4.977 -14.564 1.00 23.34 C ATOM 1409 CE1 PHE A 90 -0.450 2.900 -12.917 1.00 35.44 C ATOM 1410 CE2 PHE A 90 0.128 4.750 -14.316 1.00 12.41 C ATOM 1411 CZ PHE A 90 0.511 3.711 -13.490 1.00 2.10 C ATOM 0 H PHE A 90 -5.765 4.614 -15.527 1.00 3.53 H new ATOM 0 HA PHE A 90 -3.683 2.661 -15.504 1.00 25.25 H new ATOM 0 HB2 PHE A 90 -3.736 5.255 -14.961 1.00 34.45 H new ATOM 0 HB3 PHE A 90 -4.131 4.714 -13.341 1.00 34.45 H new ATOM 0 HD1 PHE A 90 -2.534 2.493 -12.721 1.00 55.22 H new ATOM 0 HD2 PHE A 90 -1.505 5.793 -15.208 1.00 23.34 H new ATOM 0 HE1 PHE A 90 -0.155 2.086 -12.271 1.00 35.44 H new ATOM 0 HE2 PHE A 90 0.876 5.385 -14.768 1.00 12.41 H new ATOM 0 HZ PHE A 90 1.558 3.533 -13.293 1.00 2.10 H new ATOM 1421 N ALA A 91 -5.733 2.750 -12.901 1.00 42.42 N ATOM 1422 CA ALA A 91 -6.241 1.961 -11.786 1.00 45.32 C ATOM 1423 C ALA A 91 -6.697 0.582 -12.252 1.00 3.20 C ATOM 1424 O ALA A 91 -6.538 -0.409 -11.540 1.00 61.44 O ATOM 1425 CB ALA A 91 -7.386 2.693 -11.100 1.00 75.12 C ATOM 0 H ALA A 91 -6.145 3.679 -12.982 1.00 42.42 H new ATOM 0 HA ALA A 91 -5.430 1.825 -11.070 1.00 45.32 H new ATOM 0 HB1 ALA A 91 -7.756 2.092 -10.269 1.00 75.12 H new ATOM 0 HB2 ALA A 91 -7.031 3.653 -10.724 1.00 75.12 H new ATOM 0 HB3 ALA A 91 -8.192 2.859 -11.815 1.00 75.12 H new ATOM 1431 N VAL A 92 -7.266 0.527 -13.453 1.00 45.12 N ATOM 1432 CA VAL A 92 -7.744 -0.731 -14.015 1.00 51.10 C ATOM 1433 C VAL A 92 -6.603 -1.522 -14.644 1.00 1.54 C ATOM 1434 O VAL A 92 -6.528 -2.741 -14.504 1.00 63.31 O ATOM 1435 CB VAL A 92 -8.836 -0.492 -15.075 1.00 71.33 C ATOM 1436 CG1 VAL A 92 -9.377 -1.817 -15.592 1.00 73.15 C ATOM 1437 CG2 VAL A 92 -9.956 0.364 -14.503 1.00 72.55 C ATOM 0 H VAL A 92 -7.407 1.338 -14.055 1.00 45.12 H new ATOM 0 HA VAL A 92 -8.167 -1.305 -13.191 1.00 51.10 H new ATOM 0 HB VAL A 92 -8.393 0.044 -15.914 1.00 71.33 H new ATOM 0 HG11 VAL A 92 -10.147 -1.629 -16.340 1.00 73.15 H new ATOM 0 HG12 VAL A 92 -8.567 -2.390 -16.042 1.00 73.15 H new ATOM 0 HG13 VAL A 92 -9.805 -2.383 -14.765 1.00 73.15 H new ATOM 0 HG21 VAL A 92 -10.718 0.523 -15.266 1.00 72.55 H new ATOM 0 HG22 VAL A 92 -10.400 -0.143 -13.646 1.00 72.55 H new ATOM 0 HG23 VAL A 92 -9.553 1.326 -14.187 1.00 72.55 H new ATOM 1447 N ALA A 93 -5.716 -0.817 -15.339 1.00 11.23 N ATOM 1448 CA ALA A 93 -4.576 -1.452 -15.989 1.00 33.23 C ATOM 1449 C ALA A 93 -3.686 -2.156 -14.971 1.00 75.41 C ATOM 1450 O ALA A 93 -2.902 -3.037 -15.321 1.00 21.11 O ATOM 1451 CB ALA A 93 -3.773 -0.422 -16.772 1.00 52.45 C ATOM 0 H ALA A 93 -5.765 0.194 -15.466 1.00 11.23 H new ATOM 0 HA ALA A 93 -4.956 -2.203 -16.681 1.00 33.23 H new ATOM 0 HB1 ALA A 93 -2.925 -0.910 -17.252 1.00 52.45 H new ATOM 0 HB2 ALA A 93 -4.408 0.033 -17.532 1.00 52.45 H new ATOM 0 HB3 ALA A 93 -3.411 0.350 -16.093 1.00 52.45 H new ATOM 1457 N GLY A 94 -3.813 -1.761 -13.707 1.00 34.40 N ATOM 1458 CA GLY A 94 -3.012 -2.365 -12.658 1.00 53.44 C ATOM 1459 C GLY A 94 -3.799 -3.365 -11.833 1.00 74.31 C ATOM 1460 O GLY A 94 -3.506 -4.562 -11.850 1.00 21.34 O ATOM 0 H GLY A 94 -4.456 -1.034 -13.391 1.00 34.40 H new ATOM 0 HA2 GLY A 94 -2.151 -2.863 -13.103 1.00 53.44 H new ATOM 0 HA3 GLY A 94 -2.625 -1.583 -12.004 1.00 53.44 H new ATOM 1464 N LEU A 95 -4.797 -2.876 -11.106 1.00 42.41 N ATOM 1465 CA LEU A 95 -5.627 -3.736 -10.269 1.00 54.00 C ATOM 1466 C LEU A 95 -6.360 -4.774 -11.112 1.00 73.41 C ATOM 1467 O LEU A 95 -6.383 -5.959 -10.775 1.00 32.43 O ATOM 1468 CB LEU A 95 -6.636 -2.896 -9.484 1.00 31.15 C ATOM 1469 CG LEU A 95 -6.085 -2.146 -8.270 1.00 61.44 C ATOM 1470 CD1 LEU A 95 -5.412 -3.112 -7.306 1.00 64.32 C ATOM 1471 CD2 LEU A 95 -5.111 -1.063 -8.708 1.00 33.24 C ATOM 0 H LEU A 95 -5.052 -1.889 -11.079 1.00 42.41 H new ATOM 0 HA LEU A 95 -4.975 -4.258 -9.569 1.00 54.00 H new ATOM 0 HB2 LEU A 95 -7.080 -2.169 -10.164 1.00 31.15 H new ATOM 0 HB3 LEU A 95 -7.440 -3.551 -9.147 1.00 31.15 H new ATOM 0 HG LEU A 95 -6.918 -1.670 -7.753 1.00 61.44 H new ATOM 0 HD11 LEU A 95 -5.026 -2.561 -6.449 1.00 64.32 H new ATOM 0 HD12 LEU A 95 -6.137 -3.851 -6.966 1.00 64.32 H new ATOM 0 HD13 LEU A 95 -4.590 -3.617 -7.812 1.00 64.32 H new ATOM 0 HD21 LEU A 95 -4.730 -0.540 -7.831 1.00 33.24 H new ATOM 0 HD22 LEU A 95 -4.281 -1.517 -9.249 1.00 33.24 H new ATOM 0 HD23 LEU A 95 -5.623 -0.354 -9.358 1.00 33.24 H new ATOM 1483 N LEU A 96 -6.956 -4.323 -12.210 1.00 23.23 N ATOM 1484 CA LEU A 96 -7.687 -5.214 -13.104 1.00 45.20 C ATOM 1485 C LEU A 96 -6.746 -5.879 -14.102 1.00 35.14 C ATOM 1486 O LEU A 96 -7.180 -6.616 -14.986 1.00 42.34 O ATOM 1487 CB LEU A 96 -8.774 -4.438 -13.851 1.00 64.02 C ATOM 1488 CG LEU A 96 -10.218 -4.771 -13.471 1.00 70.30 C ATOM 1489 CD1 LEU A 96 -10.683 -3.892 -12.320 1.00 24.53 C ATOM 1490 CD2 LEU A 96 -11.137 -4.609 -14.673 1.00 75.21 C ATOM 0 H LEU A 96 -6.947 -3.346 -12.503 1.00 23.23 H new ATOM 0 HA LEU A 96 -8.153 -5.992 -12.499 1.00 45.20 H new ATOM 0 HB2 LEU A 96 -8.612 -3.373 -13.684 1.00 64.02 H new ATOM 0 HB3 LEU A 96 -8.650 -4.616 -14.919 1.00 64.02 H new ATOM 0 HG LEU A 96 -10.257 -5.811 -13.146 1.00 70.30 H new ATOM 0 HD11 LEU A 96 -11.712 -4.143 -12.063 1.00 24.53 H new ATOM 0 HD12 LEU A 96 -10.042 -4.058 -11.454 1.00 24.53 H new ATOM 0 HD13 LEU A 96 -10.628 -2.845 -12.617 1.00 24.53 H new ATOM 0 HD21 LEU A 96 -12.160 -4.850 -14.384 1.00 75.21 H new ATOM 0 HD22 LEU A 96 -11.093 -3.579 -15.028 1.00 75.21 H new ATOM 0 HD23 LEU A 96 -10.817 -5.281 -15.469 1.00 75.21 H new ATOM 1502 N ASN A 97 -5.451 -5.615 -13.953 1.00 21.13 N ATOM 1503 CA ASN A 97 -4.446 -6.189 -14.840 1.00 62.04 C ATOM 1504 C ASN A 97 -4.800 -5.931 -16.302 1.00 55.11 C ATOM 1505 O ASN A 97 -4.621 -6.798 -17.156 1.00 23.42 O ATOM 1506 CB ASN A 97 -4.318 -7.693 -14.592 1.00 20.44 C ATOM 1507 CG ASN A 97 -2.882 -8.174 -14.687 1.00 11.21 C ATOM 1508 OD1 ASN A 97 -2.020 -7.740 -13.923 1.00 75.14 O ATOM 1509 ND2 ASN A 97 -2.620 -9.075 -15.627 1.00 52.40 N ATOM 0 H ASN A 97 -5.074 -5.007 -13.226 1.00 21.13 H new ATOM 0 HA ASN A 97 -3.491 -5.709 -14.626 1.00 62.04 H new ATOM 0 HB2 ASN A 97 -4.714 -7.931 -13.604 1.00 20.44 H new ATOM 0 HB3 ASN A 97 -4.928 -8.231 -15.318 1.00 20.44 H new ATOM 0 HD21 ASN A 97 -1.672 -9.436 -15.738 1.00 52.40 H new ATOM 0 HD22 ASN A 97 -3.366 -9.406 -16.238 1.00 52.40 H new ATOM 1516 N MET A 98 -5.302 -4.733 -16.581 1.00 41.44 N ATOM 1517 CA MET A 98 -5.679 -4.360 -17.939 1.00 0.42 C ATOM 1518 C MET A 98 -6.824 -5.232 -18.444 1.00 62.33 C ATOM 1519 O MET A 98 -6.635 -6.411 -18.744 1.00 53.14 O ATOM 1520 CB MET A 98 -4.476 -4.483 -18.877 1.00 45.33 C ATOM 1521 CG MET A 98 -4.233 -3.241 -19.718 1.00 33.43 C ATOM 1522 SD MET A 98 -4.739 -3.455 -21.436 1.00 33.00 S ATOM 1523 CE MET A 98 -3.669 -4.800 -21.939 1.00 24.13 C ATOM 0 H MET A 98 -5.457 -4.004 -15.885 1.00 41.44 H new ATOM 0 HA MET A 98 -6.015 -3.323 -17.925 1.00 0.42 H new ATOM 0 HB2 MET A 98 -3.584 -4.692 -18.286 1.00 45.33 H new ATOM 0 HB3 MET A 98 -4.627 -5.336 -19.538 1.00 45.33 H new ATOM 0 HG2 MET A 98 -4.777 -2.402 -19.285 1.00 33.43 H new ATOM 0 HG3 MET A 98 -3.174 -2.986 -19.684 1.00 33.43 H new ATOM 0 HE1 MET A 98 -3.437 -4.703 -23.000 1.00 24.13 H new ATOM 0 HE2 MET A 98 -2.746 -4.766 -21.361 1.00 24.13 H new ATOM 0 HE3 MET A 98 -4.172 -5.751 -21.763 1.00 24.13 H new ATOM 1533 N THR A 99 -8.013 -4.645 -18.537 1.00 5.45 N ATOM 1534 CA THR A 99 -9.189 -5.368 -19.005 1.00 70.34 C ATOM 1535 C THR A 99 -9.892 -4.610 -20.125 1.00 72.34 C ATOM 1536 O THR A 99 -11.077 -4.824 -20.385 1.00 32.24 O ATOM 1537 CB THR A 99 -10.189 -5.614 -17.860 1.00 41.23 C ATOM 1538 OG1 THR A 99 -9.486 -5.936 -16.655 1.00 62.24 O ATOM 1539 CG2 THR A 99 -11.148 -6.742 -18.211 1.00 11.20 C ATOM 0 H THR A 99 -8.187 -3.670 -18.294 1.00 5.45 H new ATOM 0 HA THR A 99 -8.839 -6.328 -19.385 1.00 70.34 H new ATOM 0 HB THR A 99 -10.766 -4.702 -17.710 1.00 41.23 H new ATOM 0 HG1 THR A 99 -9.791 -6.805 -16.320 1.00 62.24 H new ATOM 0 HG21 THR A 99 -11.844 -6.897 -17.387 1.00 11.20 H new ATOM 0 HG22 THR A 99 -11.704 -6.480 -19.111 1.00 11.20 H new ATOM 0 HG23 THR A 99 -10.584 -7.658 -18.386 1.00 11.20 H new ATOM 1547 N VAL A 100 -9.155 -3.723 -20.786 1.00 61.31 N ATOM 1548 CA VAL A 100 -9.708 -2.934 -21.881 1.00 42.20 C ATOM 1549 C VAL A 100 -8.707 -2.802 -23.023 1.00 1.31 C ATOM 1550 O VAL A 100 -7.627 -3.391 -22.987 1.00 23.53 O ATOM 1551 CB VAL A 100 -10.118 -1.528 -21.407 1.00 10.41 C ATOM 1552 CG1 VAL A 100 -11.192 -1.618 -20.333 1.00 3.31 C ATOM 1553 CG2 VAL A 100 -8.906 -0.763 -20.897 1.00 5.43 C ATOM 0 H VAL A 100 -8.174 -3.533 -20.583 1.00 61.31 H new ATOM 0 HA VAL A 100 -10.593 -3.462 -22.237 1.00 42.20 H new ATOM 0 HB VAL A 100 -10.532 -0.984 -22.256 1.00 10.41 H new ATOM 0 HG11 VAL A 100 -11.469 -0.614 -20.010 1.00 3.31 H new ATOM 0 HG12 VAL A 100 -12.069 -2.124 -20.737 1.00 3.31 H new ATOM 0 HG13 VAL A 100 -10.809 -2.180 -19.481 1.00 3.31 H new ATOM 0 HG21 VAL A 100 -9.214 0.229 -20.566 1.00 5.43 H new ATOM 0 HG22 VAL A 100 -8.461 -1.302 -20.061 1.00 5.43 H new ATOM 0 HG23 VAL A 100 -8.173 -0.666 -21.698 1.00 5.43 H new ATOM 1563 N SER A 101 -9.074 -2.023 -24.037 1.00 75.40 N ATOM 1564 CA SER A 101 -8.209 -1.815 -25.192 1.00 31.01 C ATOM 1565 C SER A 101 -7.776 -0.355 -25.291 1.00 43.14 C ATOM 1566 O SER A 101 -6.667 -0.052 -25.731 1.00 24.25 O ATOM 1567 CB SER A 101 -8.928 -2.234 -26.475 1.00 25.45 C ATOM 1568 OG SER A 101 -9.679 -3.419 -26.276 1.00 20.04 O ATOM 0 H SER A 101 -9.964 -1.526 -24.081 1.00 75.40 H new ATOM 0 HA SER A 101 -7.319 -2.431 -25.065 1.00 31.01 H new ATOM 0 HB2 SER A 101 -9.589 -1.432 -26.803 1.00 25.45 H new ATOM 0 HB3 SER A 101 -8.198 -2.391 -27.269 1.00 25.45 H new ATOM 0 HG SER A 101 -10.130 -3.664 -27.111 1.00 20.04 H new ATOM 1574 N THR A 102 -8.660 0.547 -24.877 1.00 4.42 N ATOM 1575 CA THR A 102 -8.372 1.975 -24.920 1.00 41.41 C ATOM 1576 C THR A 102 -8.697 2.641 -23.587 1.00 25.44 C ATOM 1577 O THR A 102 -9.482 2.119 -22.797 1.00 54.40 O ATOM 1578 CB THR A 102 -9.167 2.675 -26.038 1.00 40.30 C ATOM 1579 OG1 THR A 102 -10.541 2.806 -25.655 1.00 74.10 O ATOM 1580 CG2 THR A 102 -9.071 1.896 -27.341 1.00 51.14 C ATOM 0 H THR A 102 -9.582 0.314 -24.508 1.00 4.42 H new ATOM 0 HA THR A 102 -7.306 2.077 -25.124 1.00 41.41 H new ATOM 0 HB THR A 102 -8.737 3.665 -26.193 1.00 40.30 H new ATOM 0 HG1 THR A 102 -11.039 3.254 -26.371 1.00 74.10 H new ATOM 0 HG21 THR A 102 -9.640 2.410 -28.115 1.00 51.14 H new ATOM 0 HG22 THR A 102 -8.027 1.824 -27.646 1.00 51.14 H new ATOM 0 HG23 THR A 102 -9.477 0.895 -27.197 1.00 51.14 H new ATOM 1588 N ALA A 103 -8.087 3.797 -23.345 1.00 73.51 N ATOM 1589 CA ALA A 103 -8.312 4.536 -22.109 1.00 42.24 C ATOM 1590 C ALA A 103 -9.794 4.842 -21.916 1.00 24.14 C ATOM 1591 O ALA A 103 -10.307 4.792 -20.799 1.00 43.22 O ATOM 1592 CB ALA A 103 -7.501 5.822 -22.107 1.00 35.44 C ATOM 0 H ALA A 103 -7.433 4.242 -23.989 1.00 73.51 H new ATOM 0 HA ALA A 103 -7.984 3.913 -21.277 1.00 42.24 H new ATOM 0 HB1 ALA A 103 -7.679 6.363 -21.178 1.00 35.44 H new ATOM 0 HB2 ALA A 103 -6.441 5.584 -22.190 1.00 35.44 H new ATOM 0 HB3 ALA A 103 -7.801 6.443 -22.951 1.00 35.44 H new ATOM 1598 N ALA A 104 -10.475 5.162 -23.012 1.00 61.14 N ATOM 1599 CA ALA A 104 -11.897 5.476 -22.963 1.00 64.03 C ATOM 1600 C ALA A 104 -12.711 4.270 -22.507 1.00 21.41 C ATOM 1601 O ALA A 104 -13.558 4.378 -21.622 1.00 1.45 O ATOM 1602 CB ALA A 104 -12.379 5.956 -24.325 1.00 54.22 C ATOM 0 H ALA A 104 -10.064 5.210 -23.944 1.00 61.14 H new ATOM 0 HA ALA A 104 -12.042 6.275 -22.236 1.00 64.03 H new ATOM 0 HB1 ALA A 104 -13.443 6.187 -24.274 1.00 54.22 H new ATOM 0 HB2 ALA A 104 -11.827 6.851 -24.612 1.00 54.22 H new ATOM 0 HB3 ALA A 104 -12.213 5.174 -25.066 1.00 54.22 H new ATOM 1608 N ALA A 105 -12.447 3.119 -23.119 1.00 53.44 N ATOM 1609 CA ALA A 105 -13.154 1.892 -22.774 1.00 60.11 C ATOM 1610 C ALA A 105 -13.047 1.596 -21.282 1.00 15.54 C ATOM 1611 O ALA A 105 -14.031 1.229 -20.641 1.00 51.41 O ATOM 1612 CB ALA A 105 -12.611 0.724 -23.585 1.00 54.11 C ATOM 0 H ALA A 105 -11.749 3.012 -23.855 1.00 53.44 H new ATOM 0 HA ALA A 105 -14.208 2.030 -23.015 1.00 60.11 H new ATOM 0 HB1 ALA A 105 -13.148 -0.186 -23.317 1.00 54.11 H new ATOM 0 HB2 ALA A 105 -12.746 0.925 -24.648 1.00 54.11 H new ATOM 0 HB3 ALA A 105 -11.550 0.595 -23.372 1.00 54.11 H new ATOM 1618 N ALA A 106 -11.847 1.760 -20.735 1.00 2.22 N ATOM 1619 CA ALA A 106 -11.613 1.514 -19.319 1.00 74.24 C ATOM 1620 C ALA A 106 -12.334 2.543 -18.455 1.00 54.04 C ATOM 1621 O ALA A 106 -12.751 2.244 -17.337 1.00 11.41 O ATOM 1622 CB ALA A 106 -10.120 1.523 -19.020 1.00 5.24 C ATOM 0 H ALA A 106 -11.022 2.063 -21.252 1.00 2.22 H new ATOM 0 HA ALA A 106 -12.015 0.530 -19.076 1.00 74.24 H new ATOM 0 HB1 ALA A 106 -9.961 1.338 -17.958 1.00 5.24 H new ATOM 0 HB2 ALA A 106 -9.628 0.744 -19.602 1.00 5.24 H new ATOM 0 HB3 ALA A 106 -9.702 2.494 -19.286 1.00 5.24 H new ATOM 1628 N GLU A 107 -12.475 3.755 -18.981 1.00 11.53 N ATOM 1629 CA GLU A 107 -13.144 4.828 -18.256 1.00 51.41 C ATOM 1630 C GLU A 107 -14.631 4.527 -18.088 1.00 23.21 C ATOM 1631 O GLU A 107 -15.171 4.610 -16.987 1.00 3.43 O ATOM 1632 CB GLU A 107 -12.962 6.160 -18.988 1.00 11.20 C ATOM 1633 CG GLU A 107 -13.816 7.285 -18.427 1.00 64.43 C ATOM 1634 CD GLU A 107 -13.029 8.562 -18.211 1.00 54.00 C ATOM 1635 OE1 GLU A 107 -13.227 9.519 -18.987 1.00 3.15 O ATOM 1636 OE2 GLU A 107 -12.215 8.605 -17.265 1.00 74.24 O ATOM 0 H GLU A 107 -12.135 4.018 -19.906 1.00 11.53 H new ATOM 0 HA GLU A 107 -12.691 4.900 -17.267 1.00 51.41 H new ATOM 0 HB2 GLU A 107 -11.913 6.452 -18.938 1.00 11.20 H new ATOM 0 HB3 GLU A 107 -13.205 6.022 -20.042 1.00 11.20 H new ATOM 0 HG2 GLU A 107 -14.643 7.483 -19.109 1.00 64.43 H new ATOM 0 HG3 GLU A 107 -14.253 6.967 -17.480 1.00 64.43 H new ATOM 1643 N ASN A 108 -15.285 4.178 -19.192 1.00 41.45 N ATOM 1644 CA ASN A 108 -16.710 3.865 -19.168 1.00 55.25 C ATOM 1645 C ASN A 108 -16.990 2.671 -18.261 1.00 32.32 C ATOM 1646 O ASN A 108 -17.963 2.665 -17.509 1.00 41.35 O ATOM 1647 CB ASN A 108 -17.213 3.574 -20.583 1.00 72.20 C ATOM 1648 CG ASN A 108 -18.727 3.603 -20.676 1.00 22.44 C ATOM 1649 OD1 ASN A 108 -19.396 4.247 -19.869 1.00 42.35 O ATOM 1650 ND2 ASN A 108 -19.272 2.905 -21.665 1.00 60.22 N ATOM 0 H ASN A 108 -14.852 4.105 -20.113 1.00 41.45 H new ATOM 0 HA ASN A 108 -17.240 4.731 -18.772 1.00 55.25 H new ATOM 0 HB2 ASN A 108 -16.795 4.308 -21.272 1.00 72.20 H new ATOM 0 HB3 ASN A 108 -16.851 2.596 -20.900 1.00 72.20 H new ATOM 0 HD21 ASN A 108 -20.285 2.888 -21.779 1.00 60.22 H new ATOM 0 HD22 ASN A 108 -18.677 2.386 -22.311 1.00 60.22 H new ATOM 1657 N MET A 109 -16.129 1.662 -18.338 1.00 75.54 N ATOM 1658 CA MET A 109 -16.282 0.462 -17.522 1.00 30.54 C ATOM 1659 C MET A 109 -15.986 0.760 -16.056 1.00 20.32 C ATOM 1660 O MET A 109 -16.714 0.322 -15.165 1.00 15.22 O ATOM 1661 CB MET A 109 -15.355 -0.646 -18.027 1.00 54.51 C ATOM 1662 CG MET A 109 -15.769 -2.037 -17.575 1.00 3.35 C ATOM 1663 SD MET A 109 -14.357 -3.106 -17.239 1.00 61.02 S ATOM 1664 CE MET A 109 -13.678 -2.321 -15.779 1.00 43.33 C ATOM 0 H MET A 109 -15.318 1.651 -18.957 1.00 75.54 H new ATOM 0 HA MET A 109 -17.316 0.126 -17.604 1.00 30.54 H new ATOM 0 HB2 MET A 109 -15.330 -0.619 -19.116 1.00 54.51 H new ATOM 0 HB3 MET A 109 -14.341 -0.447 -17.680 1.00 54.51 H new ATOM 0 HG2 MET A 109 -16.380 -1.956 -16.676 1.00 3.35 H new ATOM 0 HG3 MET A 109 -16.391 -2.495 -18.344 1.00 3.35 H new ATOM 0 HE1 MET A 109 -12.690 -1.922 -16.007 1.00 43.33 H new ATOM 0 HE2 MET A 109 -14.334 -1.509 -15.464 1.00 43.33 H new ATOM 0 HE3 MET A 109 -13.597 -3.054 -14.976 1.00 43.33 H new ATOM 1674 N TYR A 110 -14.915 1.507 -15.813 1.00 24.24 N ATOM 1675 CA TYR A 110 -14.522 1.861 -14.455 1.00 34.23 C ATOM 1676 C TYR A 110 -15.682 2.504 -13.702 1.00 0.25 C ATOM 1677 O TYR A 110 -15.916 2.211 -12.529 1.00 12.15 O ATOM 1678 CB TYR A 110 -13.324 2.813 -14.479 1.00 44.44 C ATOM 1679 CG TYR A 110 -12.826 3.194 -13.104 1.00 51.20 C ATOM 1680 CD1 TYR A 110 -11.972 2.358 -12.396 1.00 20.54 C ATOM 1681 CD2 TYR A 110 -13.210 4.392 -12.511 1.00 64.24 C ATOM 1682 CE1 TYR A 110 -11.514 2.702 -11.139 1.00 40.22 C ATOM 1683 CE2 TYR A 110 -12.756 4.744 -11.255 1.00 41.14 C ATOM 1684 CZ TYR A 110 -11.909 3.896 -10.573 1.00 51.05 C ATOM 1685 OH TYR A 110 -11.456 4.244 -9.320 1.00 21.31 O ATOM 0 H TYR A 110 -14.303 1.879 -16.539 1.00 24.24 H new ATOM 0 HA TYR A 110 -14.239 0.945 -13.936 1.00 34.23 H new ATOM 0 HB2 TYR A 110 -12.511 2.346 -15.034 1.00 44.44 H new ATOM 0 HB3 TYR A 110 -13.601 3.718 -15.020 1.00 44.44 H new ATOM 0 HD1 TYR A 110 -11.661 1.422 -12.836 1.00 20.54 H new ATOM 0 HD2 TYR A 110 -13.874 5.058 -13.041 1.00 64.24 H new ATOM 0 HE1 TYR A 110 -10.851 2.040 -10.603 1.00 40.22 H new ATOM 0 HE2 TYR A 110 -13.063 5.679 -10.809 1.00 41.14 H new ATOM 0 HH TYR A 110 -11.827 5.115 -9.068 1.00 21.31 H new ATOM 1695 N SER A 111 -16.408 3.384 -14.386 1.00 33.32 N ATOM 1696 CA SER A 111 -17.542 4.073 -13.782 1.00 4.44 C ATOM 1697 C SER A 111 -18.804 3.221 -13.871 1.00 42.31 C ATOM 1698 O SER A 111 -19.665 3.276 -12.993 1.00 4.54 O ATOM 1699 CB SER A 111 -17.773 5.420 -14.472 1.00 52.12 C ATOM 1700 OG SER A 111 -18.864 6.111 -13.888 1.00 71.04 O ATOM 0 H SER A 111 -16.231 3.636 -15.358 1.00 33.32 H new ATOM 0 HA SER A 111 -17.314 4.245 -12.730 1.00 4.44 H new ATOM 0 HB2 SER A 111 -16.872 6.029 -14.399 1.00 52.12 H new ATOM 0 HB3 SER A 111 -17.965 5.261 -15.533 1.00 52.12 H new ATOM 0 HG SER A 111 -18.990 6.969 -14.345 1.00 71.04 H new ATOM 1706 N GLN A 112 -18.905 2.432 -14.936 1.00 10.23 N ATOM 1707 CA GLN A 112 -20.062 1.569 -15.139 1.00 25.12 C ATOM 1708 C GLN A 112 -20.215 0.582 -13.986 1.00 24.23 C ATOM 1709 O GLN A 112 -21.319 0.129 -13.686 1.00 14.34 O ATOM 1710 CB GLN A 112 -19.932 0.810 -16.462 1.00 40.23 C ATOM 1711 CG GLN A 112 -20.996 -0.258 -16.657 1.00 2.30 C ATOM 1712 CD GLN A 112 -22.405 0.293 -16.540 1.00 32.23 C ATOM 1713 OE1 GLN A 112 -23.188 -0.150 -15.699 1.00 23.42 O ATOM 1714 NE2 GLN A 112 -22.733 1.264 -17.383 1.00 33.34 N ATOM 0 H GLN A 112 -18.200 2.373 -15.671 1.00 10.23 H new ATOM 0 HA GLN A 112 -20.951 2.198 -15.174 1.00 25.12 H new ATOM 0 HB2 GLN A 112 -19.987 1.521 -17.286 1.00 40.23 H new ATOM 0 HB3 GLN A 112 -18.948 0.344 -16.509 1.00 40.23 H new ATOM 0 HG2 GLN A 112 -20.870 -0.717 -17.638 1.00 2.30 H new ATOM 0 HG3 GLN A 112 -20.855 -1.045 -15.916 1.00 2.30 H new ATOM 0 HE21 GLN A 112 -22.052 1.600 -18.064 1.00 33.34 H new ATOM 0 HE22 GLN A 112 -23.666 1.674 -17.350 1.00 33.34 H new ATOM 1723 N MET A 113 -19.098 0.252 -13.345 1.00 44.42 N ATOM 1724 CA MET A 113 -19.109 -0.680 -12.224 1.00 61.31 C ATOM 1725 C MET A 113 -19.379 0.049 -10.912 1.00 33.12 C ATOM 1726 O MET A 113 -19.840 -0.549 -9.942 1.00 41.31 O ATOM 1727 CB MET A 113 -17.776 -1.426 -12.141 1.00 21.24 C ATOM 1728 CG MET A 113 -17.799 -2.788 -12.817 1.00 33.34 C ATOM 1729 SD MET A 113 -18.308 -4.109 -11.701 1.00 43.21 S ATOM 1730 CE MET A 113 -16.876 -5.181 -11.767 1.00 24.54 C ATOM 0 H MET A 113 -18.175 0.616 -13.583 1.00 44.42 H new ATOM 0 HA MET A 113 -19.911 -1.399 -12.390 1.00 61.31 H new ATOM 0 HB2 MET A 113 -16.998 -0.815 -12.599 1.00 21.24 H new ATOM 0 HB3 MET A 113 -17.505 -1.554 -11.093 1.00 21.24 H new ATOM 0 HG2 MET A 113 -18.479 -2.755 -13.669 1.00 33.34 H new ATOM 0 HG3 MET A 113 -16.807 -3.011 -13.209 1.00 33.34 H new ATOM 0 HE1 MET A 113 -17.040 -6.047 -11.125 1.00 24.54 H new ATOM 0 HE2 MET A 113 -16.718 -5.514 -12.793 1.00 24.54 H new ATOM 0 HE3 MET A 113 -15.997 -4.636 -11.423 1.00 24.54 H new ATOM 1740 N GLY A 114 -19.087 1.346 -10.890 1.00 1.21 N ATOM 1741 CA GLY A 114 -19.304 2.136 -9.692 1.00 54.13 C ATOM 1742 C GLY A 114 -18.008 2.518 -9.006 1.00 63.00 C ATOM 1743 O GLY A 114 -17.981 2.749 -7.796 1.00 21.22 O ATOM 0 H GLY A 114 -18.704 1.864 -11.681 1.00 1.21 H new ATOM 0 HA2 GLY A 114 -19.854 3.040 -9.952 1.00 54.13 H new ATOM 0 HA3 GLY A 114 -19.927 1.573 -8.997 1.00 54.13 H new ATOM 1747 N LEU A 115 -16.929 2.584 -9.779 1.00 53.31 N ATOM 1748 CA LEU A 115 -15.622 2.941 -9.238 1.00 71.44 C ATOM 1749 C LEU A 115 -15.365 4.438 -9.374 1.00 61.31 C ATOM 1750 O LEU A 115 -14.614 5.022 -8.594 1.00 13.13 O ATOM 1751 CB LEU A 115 -14.521 2.156 -9.955 1.00 72.22 C ATOM 1752 CG LEU A 115 -14.813 0.678 -10.218 1.00 3.12 C ATOM 1753 CD1 LEU A 115 -13.612 0.003 -10.862 1.00 31.14 C ATOM 1754 CD2 LEU A 115 -15.196 -0.029 -8.927 1.00 55.33 C ATOM 0 H LEU A 115 -16.933 2.395 -10.781 1.00 53.31 H new ATOM 0 HA LEU A 115 -15.613 2.685 -8.178 1.00 71.44 H new ATOM 0 HB2 LEU A 115 -14.319 2.641 -10.910 1.00 72.22 H new ATOM 0 HB3 LEU A 115 -13.608 2.226 -9.363 1.00 72.22 H new ATOM 0 HG LEU A 115 -15.654 0.611 -10.908 1.00 3.12 H new ATOM 0 HD11 LEU A 115 -13.838 -1.048 -11.042 1.00 31.14 H new ATOM 0 HD12 LEU A 115 -13.384 0.492 -11.809 1.00 31.14 H new ATOM 0 HD13 LEU A 115 -12.751 0.080 -10.197 1.00 31.14 H new ATOM 0 HD21 LEU A 115 -15.400 -1.079 -9.134 1.00 55.33 H new ATOM 0 HD22 LEU A 115 -14.376 0.047 -8.213 1.00 55.33 H new ATOM 0 HD23 LEU A 115 -16.087 0.438 -8.507 1.00 55.33 H new ATOM 1766 N ASP A 116 -15.996 5.053 -10.368 1.00 44.20 N ATOM 1767 CA ASP A 116 -15.840 6.483 -10.605 1.00 74.33 C ATOM 1768 C ASP A 116 -16.430 7.292 -9.454 1.00 73.22 C ATOM 1769 O ASP A 116 -15.706 7.964 -8.717 1.00 24.20 O ATOM 1770 CB ASP A 116 -16.510 6.880 -11.921 1.00 53.50 C ATOM 1771 CG ASP A 116 -16.760 8.373 -12.015 1.00 20.11 C ATOM 1772 OD1 ASP A 116 -15.911 9.149 -11.527 1.00 64.32 O ATOM 1773 OD2 ASP A 116 -17.803 8.765 -12.579 1.00 13.30 O ATOM 0 H ASP A 116 -16.621 4.583 -11.023 1.00 44.20 H new ATOM 0 HA ASP A 116 -14.774 6.701 -10.670 1.00 74.33 H new ATOM 0 HB2 ASP A 116 -15.882 6.566 -12.755 1.00 53.50 H new ATOM 0 HB3 ASP A 116 -17.457 6.349 -12.018 1.00 53.50 H new ATOM 1778 N THR A 117 -17.749 7.225 -9.305 1.00 71.13 N ATOM 1779 CA THR A 117 -18.437 7.952 -8.246 1.00 72.54 C ATOM 1780 C THR A 117 -19.597 7.139 -7.685 1.00 40.30 C ATOM 1781 O THR A 117 -20.041 6.167 -8.297 1.00 34.31 O ATOM 1782 CB THR A 117 -18.969 9.307 -8.748 1.00 2.22 C ATOM 1783 OG1 THR A 117 -19.468 9.171 -10.084 1.00 11.21 O ATOM 1784 CG2 THR A 117 -17.876 10.364 -8.715 1.00 43.12 C ATOM 0 H THR A 117 -18.363 6.674 -9.905 1.00 71.13 H new ATOM 0 HA THR A 117 -17.706 8.128 -7.457 1.00 72.54 H new ATOM 0 HB THR A 117 -19.777 9.623 -8.088 1.00 2.22 H new ATOM 0 HG1 THR A 117 -19.806 10.036 -10.397 1.00 11.21 H new ATOM 0 HG21 THR A 117 -18.276 11.312 -9.074 1.00 43.12 H new ATOM 0 HG22 THR A 117 -17.518 10.485 -7.693 1.00 43.12 H new ATOM 0 HG23 THR A 117 -17.050 10.053 -9.355 1.00 43.12 H new ATOM 1792 N ARG A 118 -20.087 7.542 -6.517 1.00 11.51 N ATOM 1793 CA ARG A 118 -21.197 6.851 -5.873 1.00 44.25 C ATOM 1794 C ARG A 118 -22.036 7.820 -5.045 1.00 33.31 C ATOM 1795 O ARG A 118 -22.014 7.803 -3.814 1.00 71.54 O ATOM 1796 CB ARG A 118 -20.675 5.721 -4.983 1.00 23.14 C ATOM 1797 CG ARG A 118 -20.422 4.423 -5.731 1.00 2.05 C ATOM 1798 CD ARG A 118 -19.891 3.340 -4.805 1.00 13.31 C ATOM 1799 NE ARG A 118 -20.947 2.436 -4.358 1.00 13.55 N ATOM 1800 CZ ARG A 118 -20.715 1.234 -3.840 1.00 14.44 C ATOM 1801 NH1 ARG A 118 -19.471 0.796 -3.706 1.00 51.52 N ATOM 1802 NH2 ARG A 118 -21.729 0.470 -3.455 1.00 23.55 N ATOM 0 H ARG A 118 -19.732 8.345 -5.997 1.00 11.51 H new ATOM 0 HA ARG A 118 -21.829 6.427 -6.653 1.00 44.25 H new ATOM 0 HB2 ARG A 118 -19.748 6.043 -4.508 1.00 23.14 H new ATOM 0 HB3 ARG A 118 -21.395 5.536 -4.185 1.00 23.14 H new ATOM 0 HG2 ARG A 118 -21.348 4.084 -6.196 1.00 2.05 H new ATOM 0 HG3 ARG A 118 -19.707 4.599 -6.535 1.00 2.05 H new ATOM 0 HD2 ARG A 118 -19.119 2.769 -5.321 1.00 13.31 H new ATOM 0 HD3 ARG A 118 -19.419 3.803 -3.938 1.00 13.31 H new ATOM 0 HE ARG A 118 -21.915 2.744 -4.448 1.00 13.55 H new ATOM 0 HH11 ARG A 118 -18.690 1.382 -4.001 1.00 51.52 H new ATOM 0 HH12 ARG A 118 -19.295 -0.127 -3.308 1.00 51.52 H new ATOM 0 HH21 ARG A 118 -22.687 0.805 -3.556 1.00 23.55 H new ATOM 0 HH22 ARG A 118 -21.550 -0.452 -3.058 1.00 23.55 H new ATOM 1816 N PRO A 119 -22.792 8.687 -5.734 1.00 12.41 N ATOM 1817 CA PRO A 119 -23.651 9.680 -5.082 1.00 40.13 C ATOM 1818 C PRO A 119 -24.847 9.042 -4.383 1.00 12.14 C ATOM 1819 O PRO A 119 -25.894 9.670 -4.227 1.00 21.20 O ATOM 1820 CB PRO A 119 -24.118 10.561 -6.244 1.00 51.44 C ATOM 1821 CG PRO A 119 -24.033 9.683 -7.444 1.00 73.32 C ATOM 1822 CD PRO A 119 -22.867 8.764 -7.202 1.00 12.15 C ATOM 0 HA PRO A 119 -23.123 10.226 -4.300 1.00 40.13 H new ATOM 0 HB2 PRO A 119 -25.136 10.918 -6.086 1.00 51.44 H new ATOM 0 HB3 PRO A 119 -23.485 11.442 -6.352 1.00 51.44 H new ATOM 0 HG2 PRO A 119 -24.955 9.117 -7.580 1.00 73.32 H new ATOM 0 HG3 PRO A 119 -23.885 10.272 -8.349 1.00 73.32 H new ATOM 0 HD2 PRO A 119 -23.029 7.783 -7.648 1.00 12.15 H new ATOM 0 HD3 PRO A 119 -21.947 9.161 -7.631 1.00 12.15 H new TER 1830 PRO A 119