USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 964 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 24 ASN : amide:sc= 0.767 K(o=0.34,f=-6.2!) USER MOD Set 1.2: A 107 MET CE :methyl -169:sc= -0.422 (180deg=-0.536) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.378 (180deg=-0.506) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.23 (180deg=0.705) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc=-0.00341 (180deg=-0.162) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.52) USER MOD Single : A 33 TYR OH : rot -25:sc= 0.555 USER MOD Single : A 39 GLN : amide:sc= 1.03 K(o=1,f=-0.0019) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 TYR OH : rot 130:sc=-0.00393 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 78:sc= 0.499 USER MOD Single : A 74 SER OG : rot -23:sc= 0.288 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0417 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -134:sc=0.000727 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.8) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.678) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 109 ASN : amide:sc= 0.481 X(o=0.48,f=0.1) USER MOD Single : A 114 TYR OH : rot 122:sc= 0.113 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 119 GLN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.024 -11.583 -7.786 1.00 24.12 N ATOM 2 CA MET A 1 -5.129 -10.346 -8.587 1.00 41.14 C ATOM 3 C MET A 1 -3.729 -9.997 -9.090 1.00 25.03 C ATOM 4 O MET A 1 -2.827 -9.902 -8.261 1.00 13.44 O ATOM 5 CB MET A 1 -5.679 -9.221 -7.690 1.00 53.21 C ATOM 6 CG MET A 1 -6.028 -7.903 -8.393 1.00 51.15 C ATOM 7 SD MET A 1 -7.780 -7.741 -8.845 1.00 1.25 S ATOM 8 CE MET A 1 -7.982 -5.930 -8.860 1.00 0.00 C ATOM 0 H1 MET A 1 -5.853 -11.665 -7.163 1.00 24.12 H new ATOM 0 H2 MET A 1 -4.985 -12.406 -8.421 1.00 24.12 H new ATOM 0 H3 MET A 1 -4.159 -11.551 -7.209 1.00 24.12 H new ATOM 0 HA MET A 1 -5.801 -10.476 -9.435 1.00 41.14 H new ATOM 0 HB2 MET A 1 -6.574 -9.589 -7.189 1.00 53.21 H new ATOM 0 HB3 MET A 1 -4.943 -9.011 -6.914 1.00 53.21 H new ATOM 0 HG2 MET A 1 -5.754 -7.073 -7.741 1.00 51.15 H new ATOM 0 HG3 MET A 1 -5.422 -7.814 -9.295 1.00 51.15 H new ATOM 0 HE1 MET A 1 -9.040 -5.683 -8.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.585 -5.512 -7.935 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.442 -5.511 -9.709 1.00 0.00 H new ATOM 18 N GLY A 2 -3.496 -9.774 -10.389 1.00 24.23 N ATOM 19 CA GLY A 2 -2.159 -9.550 -10.962 1.00 3.13 C ATOM 20 C GLY A 2 -2.064 -8.261 -11.777 1.00 41.31 C ATOM 21 O GLY A 2 -1.802 -8.279 -12.982 1.00 74.45 O ATOM 0 H GLY A 2 -4.242 -9.743 -11.084 1.00 24.23 H new ATOM 0 HA2 GLY A 2 -1.426 -9.518 -10.156 1.00 3.13 H new ATOM 0 HA3 GLY A 2 -1.897 -10.395 -11.598 1.00 3.13 H new ATOM 25 N ILE A 3 -2.235 -7.125 -11.108 1.00 31.52 N ATOM 26 CA ILE A 3 -2.029 -5.782 -11.629 1.00 72.41 C ATOM 27 C ILE A 3 -0.522 -5.521 -11.756 1.00 65.41 C ATOM 28 O ILE A 3 0.312 -6.212 -11.150 1.00 0.30 O ATOM 29 CB ILE A 3 -2.718 -4.716 -10.726 1.00 60.12 C ATOM 30 CG1 ILE A 3 -4.035 -5.213 -10.104 1.00 42.00 C ATOM 31 CG2 ILE A 3 -3.049 -3.451 -11.546 1.00 1.14 C ATOM 32 CD1 ILE A 3 -4.657 -4.224 -9.109 1.00 53.44 C ATOM 0 H ILE A 3 -2.538 -7.119 -10.134 1.00 31.52 H new ATOM 0 HA ILE A 3 -2.488 -5.703 -12.615 1.00 72.41 H new ATOM 0 HB ILE A 3 -2.008 -4.504 -9.927 1.00 60.12 H new ATOM 0 HG12 ILE A 3 -4.751 -5.412 -10.901 1.00 42.00 H new ATOM 0 HG13 ILE A 3 -3.852 -6.160 -9.596 1.00 42.00 H new ATOM 0 HG21 ILE A 3 -3.530 -2.715 -10.902 1.00 1.14 H new ATOM 0 HG22 ILE A 3 -2.130 -3.031 -11.953 1.00 1.14 H new ATOM 0 HG23 ILE A 3 -3.722 -3.713 -12.363 1.00 1.14 H new ATOM 0 HD11 ILE A 3 -5.582 -4.641 -8.711 1.00 53.44 H new ATOM 0 HD12 ILE A 3 -3.959 -4.043 -8.291 1.00 53.44 H new ATOM 0 HD13 ILE A 3 -4.872 -3.284 -9.617 1.00 53.44 H new ATOM 44 N THR A 4 -0.182 -4.493 -12.518 1.00 15.11 N ATOM 45 CA THR A 4 1.118 -3.822 -12.556 1.00 55.33 C ATOM 46 C THR A 4 1.136 -2.723 -11.471 1.00 23.44 C ATOM 47 O THR A 4 0.080 -2.233 -11.064 1.00 22.34 O ATOM 48 CB THR A 4 1.283 -3.205 -13.967 1.00 13.43 C ATOM 49 OG1 THR A 4 0.909 -4.147 -14.961 1.00 71.45 O ATOM 50 CG2 THR A 4 2.713 -2.744 -14.265 1.00 33.54 C ATOM 0 H THR A 4 -0.846 -4.075 -13.170 1.00 15.11 H new ATOM 0 HA THR A 4 1.937 -4.515 -12.362 1.00 55.33 H new ATOM 0 HB THR A 4 0.634 -2.329 -13.986 1.00 13.43 H new ATOM 0 HG1 THR A 4 1.016 -3.746 -15.849 1.00 71.45 H new ATOM 0 HG21 THR A 4 2.758 -2.322 -15.269 1.00 33.54 H new ATOM 0 HG22 THR A 4 3.010 -1.986 -13.540 1.00 33.54 H new ATOM 0 HG23 THR A 4 3.391 -3.595 -14.199 1.00 33.54 H new ATOM 58 N ILE A 5 2.314 -2.282 -11.023 1.00 5.32 N ATOM 59 CA ILE A 5 2.520 -1.078 -10.233 1.00 24.43 C ATOM 60 C ILE A 5 3.613 -0.258 -10.908 1.00 31.43 C ATOM 61 O ILE A 5 4.749 -0.724 -11.052 1.00 12.33 O ATOM 62 CB ILE A 5 2.918 -1.466 -8.796 1.00 1.55 C ATOM 63 CG1 ILE A 5 1.856 -2.304 -8.069 1.00 24.33 C ATOM 64 CG2 ILE A 5 3.340 -0.247 -7.976 1.00 0.12 C ATOM 65 CD1 ILE A 5 0.708 -1.471 -7.507 1.00 23.45 C ATOM 0 H ILE A 5 3.184 -2.780 -11.212 1.00 5.32 H new ATOM 0 HA ILE A 5 1.607 -0.485 -10.175 1.00 24.43 H new ATOM 0 HB ILE A 5 3.787 -2.116 -8.896 1.00 1.55 H new ATOM 0 HG12 ILE A 5 1.453 -3.045 -8.759 1.00 24.33 H new ATOM 0 HG13 ILE A 5 2.331 -2.852 -7.255 1.00 24.33 H new ATOM 0 HG21 ILE A 5 3.613 -0.563 -6.969 1.00 0.12 H new ATOM 0 HG22 ILE A 5 4.196 0.232 -8.451 1.00 0.12 H new ATOM 0 HG23 ILE A 5 2.512 0.460 -7.923 1.00 0.12 H new ATOM 0 HD11 ILE A 5 -0.006 -2.126 -7.007 1.00 23.45 H new ATOM 0 HD12 ILE A 5 1.100 -0.747 -6.792 1.00 23.45 H new ATOM 0 HD13 ILE A 5 0.209 -0.944 -8.320 1.00 23.45 H new ATOM 77 N THR A 6 3.269 0.962 -11.298 1.00 24.42 N ATOM 78 CA THR A 6 4.186 1.933 -11.841 1.00 54.42 C ATOM 79 C THR A 6 4.744 2.770 -10.706 1.00 44.44 C ATOM 80 O THR A 6 3.987 3.345 -9.940 1.00 21.24 O ATOM 81 CB THR A 6 3.423 2.793 -12.849 1.00 73.03 C ATOM 82 OG1 THR A 6 2.085 3.045 -12.448 1.00 13.41 O ATOM 83 CG2 THR A 6 3.355 2.030 -14.166 1.00 63.54 C ATOM 0 H THR A 6 2.311 1.306 -11.240 1.00 24.42 H new ATOM 0 HA THR A 6 5.022 1.452 -12.349 1.00 54.42 H new ATOM 0 HB THR A 6 3.948 3.745 -12.932 1.00 73.03 H new ATOM 0 HG1 THR A 6 1.640 3.599 -13.123 1.00 13.41 H new ATOM 0 HG21 THR A 6 2.814 2.624 -14.903 1.00 63.54 H new ATOM 0 HG22 THR A 6 4.365 1.836 -14.527 1.00 63.54 H new ATOM 0 HG23 THR A 6 2.837 1.084 -14.012 1.00 63.54 H new ATOM 91 N ASP A 7 6.065 2.854 -10.594 1.00 60.51 N ATOM 92 CA ASP A 7 6.776 3.679 -9.610 1.00 41.33 C ATOM 93 C ASP A 7 6.340 5.146 -9.638 1.00 21.32 C ATOM 94 O ASP A 7 6.380 5.820 -8.602 1.00 0.45 O ATOM 95 CB ASP A 7 8.293 3.577 -9.800 1.00 63.22 C ATOM 96 CG ASP A 7 8.735 3.352 -11.240 1.00 45.04 C ATOM 97 OD1 ASP A 7 8.878 4.347 -11.980 1.00 43.53 O ATOM 98 OD2 ASP A 7 8.849 2.169 -11.652 1.00 53.50 O ATOM 0 H ASP A 7 6.696 2.334 -11.204 1.00 60.51 H new ATOM 0 HA ASP A 7 6.510 3.282 -8.631 1.00 41.33 H new ATOM 0 HB2 ASP A 7 8.755 4.492 -9.430 1.00 63.22 H new ATOM 0 HB3 ASP A 7 8.669 2.759 -9.186 1.00 63.22 H new ATOM 103 N GLU A 8 5.897 5.623 -10.802 1.00 61.10 N ATOM 104 CA GLU A 8 5.461 6.993 -11.005 1.00 13.44 C ATOM 105 C GLU A 8 4.163 7.318 -10.267 1.00 43.11 C ATOM 106 O GLU A 8 3.990 8.407 -9.728 1.00 30.11 O ATOM 107 CB GLU A 8 5.374 7.254 -12.499 1.00 43.40 C ATOM 108 CG GLU A 8 4.205 6.599 -13.226 1.00 71.21 C ATOM 109 CD GLU A 8 2.996 7.486 -13.510 1.00 10.35 C ATOM 110 OE1 GLU A 8 3.113 8.707 -13.730 1.00 65.20 O ATOM 111 OE2 GLU A 8 1.894 6.927 -13.697 1.00 71.04 O ATOM 0 H GLU A 8 5.832 5.051 -11.644 1.00 61.10 H new ATOM 0 HA GLU A 8 6.195 7.670 -10.568 1.00 13.44 H new ATOM 0 HB2 GLU A 8 5.316 8.331 -12.657 1.00 43.40 H new ATOM 0 HB3 GLU A 8 6.300 6.913 -12.962 1.00 43.40 H new ATOM 0 HG2 GLU A 8 4.570 6.206 -14.175 1.00 71.21 H new ATOM 0 HG3 GLU A 8 3.871 5.746 -12.635 1.00 71.21 H new ATOM 118 N LEU A 9 3.249 6.361 -10.206 1.00 31.44 N ATOM 119 CA LEU A 9 1.965 6.442 -9.556 1.00 55.55 C ATOM 120 C LEU A 9 2.196 6.601 -8.058 1.00 14.25 C ATOM 121 O LEU A 9 1.606 7.482 -7.445 1.00 71.02 O ATOM 122 CB LEU A 9 1.202 5.181 -9.991 1.00 23.05 C ATOM 123 CG LEU A 9 -0.048 4.916 -9.174 1.00 22.55 C ATOM 124 CD1 LEU A 9 -1.098 6.026 -9.241 1.00 53.23 C ATOM 125 CD2 LEU A 9 -0.638 3.582 -9.642 1.00 15.42 C ATOM 0 H LEU A 9 3.402 5.451 -10.640 1.00 31.44 H new ATOM 0 HA LEU A 9 1.357 7.303 -9.833 1.00 55.55 H new ATOM 0 HB2 LEU A 9 0.926 5.278 -11.041 1.00 23.05 H new ATOM 0 HB3 LEU A 9 1.866 4.320 -9.914 1.00 23.05 H new ATOM 0 HG LEU A 9 0.244 4.881 -8.125 1.00 22.55 H new ATOM 0 HD11 LEU A 9 -1.957 5.752 -8.628 1.00 53.23 H new ATOM 0 HD12 LEU A 9 -0.668 6.956 -8.869 1.00 53.23 H new ATOM 0 HD13 LEU A 9 -1.418 6.162 -10.274 1.00 53.23 H new ATOM 0 HD21 LEU A 9 -1.541 3.363 -9.071 1.00 15.42 H new ATOM 0 HD22 LEU A 9 -0.885 3.645 -10.702 1.00 15.42 H new ATOM 0 HD23 LEU A 9 0.091 2.787 -9.486 1.00 15.42 H new ATOM 137 N LEU A 10 3.110 5.854 -7.432 1.00 53.52 N ATOM 138 CA LEU A 10 3.461 6.080 -6.056 1.00 31.25 C ATOM 139 C LEU A 10 3.999 7.469 -5.773 1.00 22.10 C ATOM 140 O LEU A 10 3.833 7.948 -4.646 1.00 3.25 O ATOM 141 CB LEU A 10 4.490 5.033 -5.681 1.00 64.32 C ATOM 142 CG LEU A 10 3.925 3.616 -5.689 1.00 60.40 C ATOM 143 CD1 LEU A 10 2.550 3.440 -5.038 1.00 24.15 C ATOM 144 CD2 LEU A 10 3.951 2.938 -7.039 1.00 73.32 C ATOM 0 H LEU A 10 3.615 5.086 -7.874 1.00 53.52 H new ATOM 0 HA LEU A 10 2.554 6.002 -5.456 1.00 31.25 H new ATOM 0 HB2 LEU A 10 5.328 5.089 -6.376 1.00 64.32 H new ATOM 0 HB3 LEU A 10 4.883 5.256 -4.689 1.00 64.32 H new ATOM 0 HG LEU A 10 4.638 3.106 -5.042 1.00 60.40 H new ATOM 0 HD11 LEU A 10 2.248 2.394 -5.102 1.00 24.15 H new ATOM 0 HD12 LEU A 10 2.602 3.740 -3.991 1.00 24.15 H new ATOM 0 HD13 LEU A 10 1.820 4.060 -5.557 1.00 24.15 H new ATOM 0 HD21 LEU A 10 3.531 1.936 -6.951 1.00 73.32 H new ATOM 0 HD22 LEU A 10 3.361 3.518 -7.749 1.00 73.32 H new ATOM 0 HD23 LEU A 10 4.980 2.870 -7.392 1.00 73.32 H new ATOM 156 N TRP A 11 4.622 8.128 -6.754 1.00 22.04 N ATOM 157 CA TRP A 11 5.161 9.446 -6.491 1.00 33.15 C ATOM 158 C TRP A 11 4.027 10.439 -6.235 1.00 75.41 C ATOM 159 O TRP A 11 4.234 11.358 -5.450 1.00 32.11 O ATOM 160 CB TRP A 11 6.129 9.889 -7.596 1.00 22.04 C ATOM 161 CG TRP A 11 7.563 9.573 -7.295 1.00 64.02 C ATOM 162 CD1 TRP A 11 8.341 8.632 -7.880 1.00 22.02 C ATOM 163 CD2 TRP A 11 8.391 10.192 -6.272 1.00 61.33 C ATOM 164 NE1 TRP A 11 9.601 8.661 -7.315 1.00 10.54 N ATOM 165 CE2 TRP A 11 9.682 9.593 -6.297 1.00 21.42 C ATOM 166 CE3 TRP A 11 8.154 11.185 -5.303 1.00 62.43 C ATOM 167 CZ2 TRP A 11 10.693 9.977 -5.400 1.00 34.14 C ATOM 168 CZ3 TRP A 11 9.156 11.562 -4.393 1.00 23.43 C ATOM 169 CH2 TRP A 11 10.423 10.955 -4.429 1.00 12.35 C ATOM 0 H TRP A 11 4.758 7.778 -7.702 1.00 22.04 H new ATOM 0 HA TRP A 11 5.760 9.411 -5.581 1.00 33.15 H new ATOM 0 HB2 TRP A 11 5.847 9.405 -8.531 1.00 22.04 H new ATOM 0 HB3 TRP A 11 6.026 10.963 -7.749 1.00 22.04 H new ATOM 0 HD1 TRP A 11 8.025 7.963 -8.666 1.00 22.02 H new ATOM 0 HE1 TRP A 11 10.376 8.068 -7.612 1.00 10.54 H new ATOM 0 HE3 TRP A 11 7.187 11.664 -5.258 1.00 62.43 H new ATOM 0 HZ2 TRP A 11 11.671 9.523 -5.457 1.00 34.14 H new ATOM 0 HZ3 TRP A 11 8.950 12.326 -3.658 1.00 23.43 H new ATOM 0 HH2 TRP A 11 11.183 11.238 -3.716 1.00 12.35 H new ATOM 180 N ALA A 12 2.821 10.224 -6.778 1.00 53.55 N ATOM 181 CA ALA A 12 1.668 11.075 -6.499 1.00 21.34 C ATOM 182 C ALA A 12 1.343 11.117 -4.998 1.00 11.04 C ATOM 183 O ALA A 12 0.988 12.171 -4.473 1.00 64.12 O ATOM 184 CB ALA A 12 0.466 10.596 -7.322 1.00 0.20 C ATOM 0 H ALA A 12 2.623 9.457 -7.420 1.00 53.55 H new ATOM 0 HA ALA A 12 1.910 12.097 -6.792 1.00 21.34 H new ATOM 0 HB1 ALA A 12 -0.394 11.232 -7.113 1.00 0.20 H new ATOM 0 HB2 ALA A 12 0.707 10.649 -8.384 1.00 0.20 H new ATOM 0 HB3 ALA A 12 0.229 9.566 -7.055 1.00 0.20 H new ATOM 190 N ILE A 13 1.489 10.004 -4.271 1.00 41.41 N ATOM 191 CA ILE A 13 1.305 9.999 -2.822 1.00 63.45 C ATOM 192 C ILE A 13 2.328 10.952 -2.193 1.00 12.14 C ATOM 193 O ILE A 13 1.996 11.785 -1.353 1.00 71.15 O ATOM 194 CB ILE A 13 1.453 8.564 -2.274 1.00 14.34 C ATOM 195 CG1 ILE A 13 0.282 7.673 -2.737 1.00 41.24 C ATOM 196 CG2 ILE A 13 1.489 8.554 -0.743 1.00 25.23 C ATOM 197 CD1 ILE A 13 0.624 6.783 -3.928 1.00 23.34 C ATOM 0 H ILE A 13 1.734 9.096 -4.666 1.00 41.41 H new ATOM 0 HA ILE A 13 0.303 10.343 -2.567 1.00 63.45 H new ATOM 0 HB ILE A 13 2.393 8.173 -2.663 1.00 14.34 H new ATOM 0 HG12 ILE A 13 -0.037 7.045 -1.905 1.00 41.24 H new ATOM 0 HG13 ILE A 13 -0.564 8.308 -3.000 1.00 41.24 H new ATOM 0 HG21 ILE A 13 1.594 7.529 -0.388 1.00 25.23 H new ATOM 0 HG22 ILE A 13 2.335 9.147 -0.395 1.00 25.23 H new ATOM 0 HG23 ILE A 13 0.564 8.979 -0.355 1.00 25.23 H new ATOM 0 HD11 ILE A 13 -0.247 6.185 -4.197 1.00 23.34 H new ATOM 0 HD12 ILE A 13 0.914 7.404 -4.775 1.00 23.34 H new ATOM 0 HD13 ILE A 13 1.450 6.122 -3.663 1.00 23.34 H new ATOM 209 N LEU A 14 3.604 10.796 -2.542 1.00 33.14 N ATOM 210 CA LEU A 14 4.709 11.552 -1.988 1.00 3.50 C ATOM 211 C LEU A 14 4.612 13.043 -2.349 1.00 40.21 C ATOM 212 O LEU A 14 4.967 13.884 -1.521 1.00 2.32 O ATOM 213 CB LEU A 14 5.995 10.868 -2.476 1.00 22.34 C ATOM 214 CG LEU A 14 6.409 9.637 -1.649 1.00 25.11 C ATOM 215 CD1 LEU A 14 5.303 8.673 -1.213 1.00 43.12 C ATOM 216 CD2 LEU A 14 7.496 8.828 -2.366 1.00 42.42 C ATOM 0 H LEU A 14 3.899 10.115 -3.242 1.00 33.14 H new ATOM 0 HA LEU A 14 4.696 11.549 -0.898 1.00 3.50 H new ATOM 0 HB2 LEU A 14 5.860 10.565 -3.514 1.00 22.34 H new ATOM 0 HB3 LEU A 14 6.808 11.594 -2.458 1.00 22.34 H new ATOM 0 HG LEU A 14 6.770 10.095 -0.728 1.00 25.11 H new ATOM 0 HD11 LEU A 14 5.739 7.855 -0.640 1.00 43.12 H new ATOM 0 HD12 LEU A 14 4.580 9.205 -0.595 1.00 43.12 H new ATOM 0 HD13 LEU A 14 4.802 8.272 -2.094 1.00 43.12 H new ATOM 0 HD21 LEU A 14 7.768 7.965 -1.758 1.00 42.42 H new ATOM 0 HD22 LEU A 14 7.120 8.488 -3.331 1.00 42.42 H new ATOM 0 HD23 LEU A 14 8.374 9.455 -2.520 1.00 42.42 H new ATOM 228 N LYS A 15 4.055 13.389 -3.514 1.00 71.04 N ATOM 229 CA LYS A 15 3.693 14.754 -3.911 1.00 63.52 C ATOM 230 C LYS A 15 2.358 15.222 -3.316 1.00 14.11 C ATOM 231 O LYS A 15 1.913 16.322 -3.649 1.00 1.11 O ATOM 232 CB LYS A 15 3.671 14.869 -5.445 1.00 51.33 C ATOM 233 CG LYS A 15 4.987 14.500 -6.140 1.00 74.11 C ATOM 234 CD LYS A 15 6.197 15.313 -5.675 1.00 71.01 C ATOM 235 CE LYS A 15 7.460 14.806 -6.370 1.00 4.05 C ATOM 236 NZ LYS A 15 7.426 15.006 -7.833 1.00 1.25 N ATOM 0 H LYS A 15 3.836 12.700 -4.234 1.00 71.04 H new ATOM 0 HA LYS A 15 4.458 15.415 -3.504 1.00 63.52 H new ATOM 0 HB2 LYS A 15 2.880 14.226 -5.832 1.00 51.33 H new ATOM 0 HB3 LYS A 15 3.410 15.892 -5.714 1.00 51.33 H new ATOM 0 HG2 LYS A 15 5.189 13.442 -5.971 1.00 74.11 H new ATOM 0 HG3 LYS A 15 4.866 14.634 -7.215 1.00 74.11 H new ATOM 0 HD2 LYS A 15 6.046 16.369 -5.901 1.00 71.01 H new ATOM 0 HD3 LYS A 15 6.308 15.231 -4.594 1.00 71.01 H new ATOM 0 HE2 LYS A 15 8.328 15.320 -5.957 1.00 4.05 H new ATOM 0 HE3 LYS A 15 7.587 13.745 -6.155 1.00 4.05 H new ATOM 0 HZ1 LYS A 15 8.373 14.837 -8.229 1.00 1.25 H new ATOM 0 HZ2 LYS A 15 6.749 14.341 -8.259 1.00 1.25 H new ATOM 0 HZ3 LYS A 15 7.132 15.981 -8.043 1.00 1.25 H new ATOM 250 N ASP A 16 1.748 14.439 -2.421 1.00 22.30 N ATOM 251 CA ASP A 16 0.560 14.792 -1.640 1.00 51.23 C ATOM 252 C ASP A 16 -0.651 15.077 -2.537 1.00 63.50 C ATOM 253 O ASP A 16 -1.521 15.876 -2.190 1.00 72.01 O ATOM 254 CB ASP A 16 0.915 15.931 -0.674 1.00 42.24 C ATOM 255 CG ASP A 16 -0.094 16.152 0.446 1.00 24.45 C ATOM 256 OD1 ASP A 16 -0.342 15.210 1.249 1.00 72.13 O ATOM 257 OD2 ASP A 16 -0.428 17.308 0.755 1.00 53.21 O ATOM 0 H ASP A 16 2.085 13.499 -2.212 1.00 22.30 H new ATOM 0 HA ASP A 16 0.247 13.941 -1.035 1.00 51.23 H new ATOM 0 HB2 ASP A 16 1.889 15.724 -0.231 1.00 42.24 H new ATOM 0 HB3 ASP A 16 1.014 16.855 -1.244 1.00 42.24 H new ATOM 262 N GLU A 17 -0.686 14.441 -3.716 1.00 3.21 N ATOM 263 CA GLU A 17 -1.768 14.509 -4.664 1.00 15.33 C ATOM 264 C GLU A 17 -2.877 13.546 -4.235 1.00 43.33 C ATOM 265 O GLU A 17 -4.015 13.991 -4.088 1.00 54.11 O ATOM 266 CB GLU A 17 -1.174 14.200 -6.043 1.00 12.34 C ATOM 267 CG GLU A 17 -2.168 13.759 -7.100 1.00 24.52 C ATOM 268 CD GLU A 17 -3.222 14.822 -7.393 1.00 51.21 C ATOM 269 OE1 GLU A 17 -2.859 16.023 -7.493 1.00 15.43 O ATOM 270 OE2 GLU A 17 -4.411 14.466 -7.511 1.00 73.42 O ATOM 0 H GLU A 17 0.078 13.845 -4.033 1.00 3.21 H new ATOM 0 HA GLU A 17 -2.232 15.494 -4.708 1.00 15.33 H new ATOM 0 HB2 GLU A 17 -0.657 15.089 -6.404 1.00 12.34 H new ATOM 0 HB3 GLU A 17 -0.422 13.419 -5.928 1.00 12.34 H new ATOM 0 HG2 GLU A 17 -1.633 13.520 -8.019 1.00 24.52 H new ATOM 0 HG3 GLU A 17 -2.661 12.844 -6.771 1.00 24.52 H new ATOM 277 N LEU A 18 -2.554 12.256 -4.019 1.00 23.11 N ATOM 278 CA LEU A 18 -3.557 11.245 -3.663 1.00 4.31 C ATOM 279 C LEU A 18 -4.331 11.698 -2.449 1.00 3.15 C ATOM 280 O LEU A 18 -3.787 12.316 -1.522 1.00 22.32 O ATOM 281 CB LEU A 18 -2.959 9.891 -3.247 1.00 12.32 C ATOM 282 CG LEU A 18 -3.049 8.713 -4.224 1.00 73.53 C ATOM 283 CD1 LEU A 18 -4.458 8.143 -4.384 1.00 41.20 C ATOM 284 CD2 LEU A 18 -2.334 9.015 -5.540 1.00 32.43 C ATOM 0 H LEU A 18 -1.603 11.893 -4.086 1.00 23.11 H new ATOM 0 HA LEU A 18 -4.161 11.128 -4.562 1.00 4.31 H new ATOM 0 HB2 LEU A 18 -1.905 10.051 -3.020 1.00 12.32 H new ATOM 0 HB3 LEU A 18 -3.443 9.588 -2.319 1.00 12.32 H new ATOM 0 HG LEU A 18 -2.500 7.889 -3.767 1.00 73.53 H new ATOM 0 HD11 LEU A 18 -4.437 7.314 -5.091 1.00 41.20 H new ATOM 0 HD12 LEU A 18 -4.819 7.788 -3.419 1.00 41.20 H new ATOM 0 HD13 LEU A 18 -5.125 8.921 -4.756 1.00 41.20 H new ATOM 0 HD21 LEU A 18 -2.420 8.156 -6.206 1.00 32.43 H new ATOM 0 HD22 LEU A 18 -2.790 9.886 -6.010 1.00 32.43 H new ATOM 0 HD23 LEU A 18 -1.281 9.218 -5.344 1.00 32.43 H new ATOM 296 N SER A 19 -5.543 11.175 -2.369 1.00 63.12 N ATOM 297 CA SER A 19 -6.340 11.337 -1.174 1.00 32.23 C ATOM 298 C SER A 19 -6.010 10.234 -0.169 1.00 32.44 C ATOM 299 O SER A 19 -5.425 9.216 -0.535 1.00 31.43 O ATOM 300 CB SER A 19 -7.817 11.340 -1.540 1.00 14.41 C ATOM 301 OG SER A 19 -8.125 12.360 -2.472 1.00 71.12 O ATOM 0 H SER A 19 -5.990 10.639 -3.113 1.00 63.12 H new ATOM 0 HA SER A 19 -6.107 12.292 -0.704 1.00 32.23 H new ATOM 0 HB2 SER A 19 -8.090 10.371 -1.958 1.00 14.41 H new ATOM 0 HB3 SER A 19 -8.415 11.478 -0.639 1.00 14.41 H new ATOM 0 HG SER A 19 -9.081 12.331 -2.685 1.00 71.12 H new ATOM 307 N ASP A 20 -6.413 10.394 1.089 1.00 1.04 N ATOM 308 CA ASP A 20 -6.443 9.323 2.093 1.00 62.34 C ATOM 309 C ASP A 20 -7.307 8.178 1.567 1.00 15.52 C ATOM 310 O ASP A 20 -6.806 7.076 1.340 1.00 11.42 O ATOM 311 CB ASP A 20 -6.923 9.826 3.469 1.00 30.22 C ATOM 312 CG ASP A 20 -7.918 10.983 3.397 1.00 21.24 C ATOM 313 OD1 ASP A 20 -8.973 10.837 2.747 1.00 61.12 O ATOM 314 OD2 ASP A 20 -7.533 12.073 3.884 1.00 5.35 O ATOM 0 H ASP A 20 -6.736 11.291 1.451 1.00 1.04 H new ATOM 0 HA ASP A 20 -5.428 8.960 2.254 1.00 62.34 H new ATOM 0 HB2 ASP A 20 -7.384 8.997 4.006 1.00 30.22 H new ATOM 0 HB3 ASP A 20 -6.057 10.141 4.051 1.00 30.22 H new ATOM 319 N ALA A 21 -8.580 8.461 1.285 1.00 54.44 N ATOM 320 CA ALA A 21 -9.560 7.502 0.800 1.00 65.22 C ATOM 321 C ALA A 21 -9.085 6.742 -0.444 1.00 22.33 C ATOM 322 O ALA A 21 -9.263 5.524 -0.550 1.00 3.44 O ATOM 323 CB ALA A 21 -10.868 8.240 0.509 1.00 23.40 C ATOM 0 H ALA A 21 -8.965 9.399 1.394 1.00 54.44 H new ATOM 0 HA ALA A 21 -9.709 6.751 1.576 1.00 65.22 H new ATOM 0 HB1 ALA A 21 -11.612 7.532 0.144 1.00 23.40 H new ATOM 0 HB2 ALA A 21 -11.232 8.710 1.423 1.00 23.40 H new ATOM 0 HB3 ALA A 21 -10.694 9.005 -0.248 1.00 23.40 H new ATOM 329 N GLU A 22 -8.480 7.464 -1.383 1.00 52.41 N ATOM 330 CA GLU A 22 -8.003 6.919 -2.642 1.00 73.23 C ATOM 331 C GLU A 22 -6.716 6.118 -2.480 1.00 33.55 C ATOM 332 O GLU A 22 -6.556 5.076 -3.108 1.00 12.03 O ATOM 333 CB GLU A 22 -7.745 8.041 -3.633 1.00 52.23 C ATOM 334 CG GLU A 22 -8.978 8.788 -4.116 1.00 42.52 C ATOM 335 CD GLU A 22 -8.576 9.583 -5.364 1.00 54.00 C ATOM 336 OE1 GLU A 22 -7.710 10.482 -5.254 1.00 42.55 O ATOM 337 OE2 GLU A 22 -9.058 9.193 -6.453 1.00 41.33 O ATOM 0 H GLU A 22 -8.306 8.464 -1.284 1.00 52.41 H new ATOM 0 HA GLU A 22 -8.782 6.250 -3.007 1.00 73.23 H new ATOM 0 HB2 GLU A 22 -7.065 8.758 -3.173 1.00 52.23 H new ATOM 0 HB3 GLU A 22 -7.232 7.625 -4.500 1.00 52.23 H new ATOM 0 HG2 GLU A 22 -9.782 8.090 -4.349 1.00 42.52 H new ATOM 0 HG3 GLU A 22 -9.350 9.456 -3.339 1.00 42.52 H new ATOM 344 N ALA A 23 -5.761 6.591 -1.682 1.00 52.30 N ATOM 345 CA ALA A 23 -4.496 5.893 -1.567 1.00 73.34 C ATOM 346 C ALA A 23 -4.657 4.619 -0.746 1.00 43.13 C ATOM 347 O ALA A 23 -3.843 3.706 -0.884 1.00 33.22 O ATOM 348 CB ALA A 23 -3.473 6.798 -0.914 1.00 21.44 C ATOM 0 H ALA A 23 -5.841 7.438 -1.119 1.00 52.30 H new ATOM 0 HA ALA A 23 -4.156 5.620 -2.566 1.00 73.34 H new ATOM 0 HB1 ALA A 23 -2.523 6.271 -0.829 1.00 21.44 H new ATOM 0 HB2 ALA A 23 -3.338 7.693 -1.522 1.00 21.44 H new ATOM 0 HB3 ALA A 23 -3.820 7.083 0.079 1.00 21.44 H new ATOM 354 N ASN A 24 -5.686 4.576 0.102 1.00 20.44 N ATOM 355 CA ASN A 24 -6.167 3.339 0.716 1.00 23.50 C ATOM 356 C ASN A 24 -6.573 2.400 -0.419 1.00 14.11 C ATOM 357 O ASN A 24 -6.058 1.286 -0.497 1.00 43.33 O ATOM 358 CB ASN A 24 -7.329 3.586 1.709 1.00 24.14 C ATOM 359 CG ASN A 24 -6.944 3.511 3.196 1.00 40.13 C ATOM 360 OD1 ASN A 24 -5.861 3.071 3.580 1.00 1.20 O ATOM 361 ND2 ASN A 24 -7.828 3.944 4.082 1.00 74.15 N ATOM 0 H ASN A 24 -6.212 5.404 0.383 1.00 20.44 H new ATOM 0 HA ASN A 24 -5.376 2.889 1.316 1.00 23.50 H new ATOM 0 HB2 ASN A 24 -7.754 4.570 1.509 1.00 24.14 H new ATOM 0 HB3 ASN A 24 -8.113 2.854 1.515 1.00 24.14 H new ATOM 0 HD21 ASN A 24 -7.610 3.912 5.078 1.00 74.15 H new ATOM 0 HD22 ASN A 24 -8.727 4.310 3.769 1.00 74.15 H new ATOM 368 N ALA A 25 -7.414 2.876 -1.348 1.00 11.12 N ATOM 369 CA ALA A 25 -7.837 2.087 -2.497 1.00 64.24 C ATOM 370 C ALA A 25 -6.662 1.549 -3.307 1.00 12.11 C ATOM 371 O ALA A 25 -6.713 0.367 -3.634 1.00 4.13 O ATOM 372 CB ALA A 25 -8.770 2.845 -3.436 1.00 14.05 C ATOM 0 H ALA A 25 -7.814 3.814 -1.318 1.00 11.12 H new ATOM 0 HA ALA A 25 -8.384 1.251 -2.061 1.00 64.24 H new ATOM 0 HB1 ALA A 25 -9.048 2.201 -4.271 1.00 14.05 H new ATOM 0 HB2 ALA A 25 -9.667 3.144 -2.894 1.00 14.05 H new ATOM 0 HB3 ALA A 25 -8.263 3.732 -3.815 1.00 14.05 H new ATOM 378 N LEU A 26 -5.619 2.340 -3.629 1.00 42.41 N ATOM 379 CA LEU A 26 -4.484 1.814 -4.389 1.00 10.01 C ATOM 380 C LEU A 26 -3.829 0.588 -3.725 1.00 71.41 C ATOM 381 O LEU A 26 -3.307 -0.281 -4.422 1.00 62.40 O ATOM 382 CB LEU A 26 -3.427 2.907 -4.591 1.00 32.00 C ATOM 383 CG LEU A 26 -3.829 4.110 -5.465 1.00 5.12 C ATOM 384 CD1 LEU A 26 -2.638 5.072 -5.528 1.00 53.24 C ATOM 385 CD2 LEU A 26 -4.224 3.724 -6.892 1.00 62.24 C ATOM 0 H LEU A 26 -5.545 3.326 -3.377 1.00 42.41 H new ATOM 0 HA LEU A 26 -4.882 1.490 -5.351 1.00 10.01 H new ATOM 0 HB2 LEU A 26 -3.135 3.282 -3.610 1.00 32.00 H new ATOM 0 HB3 LEU A 26 -2.543 2.447 -5.032 1.00 32.00 H new ATOM 0 HG LEU A 26 -4.707 4.566 -5.008 1.00 5.12 H new ATOM 0 HD11 LEU A 26 -2.898 5.934 -6.143 1.00 53.24 H new ATOM 0 HD12 LEU A 26 -2.387 5.407 -4.521 1.00 53.24 H new ATOM 0 HD13 LEU A 26 -1.780 4.561 -5.965 1.00 53.24 H new ATOM 0 HD21 LEU A 26 -4.495 4.621 -7.450 1.00 62.24 H new ATOM 0 HD22 LEU A 26 -3.384 3.232 -7.382 1.00 62.24 H new ATOM 0 HD23 LEU A 26 -5.075 3.044 -6.863 1.00 62.24 H new ATOM 397 N VAL A 27 -3.871 0.463 -2.397 1.00 70.42 N ATOM 398 CA VAL A 27 -3.399 -0.740 -1.716 1.00 43.21 C ATOM 399 C VAL A 27 -4.419 -1.869 -1.893 1.00 63.43 C ATOM 400 O VAL A 27 -4.052 -2.992 -2.252 1.00 73.23 O ATOM 401 CB VAL A 27 -3.123 -0.425 -0.234 1.00 10.22 C ATOM 402 CG1 VAL A 27 -2.620 -1.666 0.513 1.00 1.43 C ATOM 403 CG2 VAL A 27 -2.052 0.663 -0.082 1.00 53.23 C ATOM 0 H VAL A 27 -4.229 1.185 -1.771 1.00 70.42 H new ATOM 0 HA VAL A 27 -2.461 -1.077 -2.157 1.00 43.21 H new ATOM 0 HB VAL A 27 -4.069 -0.084 0.186 1.00 10.22 H new ATOM 0 HG11 VAL A 27 -2.434 -1.412 1.557 1.00 1.43 H new ATOM 0 HG12 VAL A 27 -3.373 -2.453 0.460 1.00 1.43 H new ATOM 0 HG13 VAL A 27 -1.695 -2.017 0.055 1.00 1.43 H new ATOM 0 HG21 VAL A 27 -1.882 0.861 0.976 1.00 53.23 H new ATOM 0 HG22 VAL A 27 -1.123 0.326 -0.542 1.00 53.23 H new ATOM 0 HG23 VAL A 27 -2.389 1.576 -0.572 1.00 53.23 H new ATOM 413 N TRP A 28 -5.695 -1.588 -1.631 1.00 14.41 N ATOM 414 CA TRP A 28 -6.768 -2.573 -1.639 1.00 71.22 C ATOM 415 C TRP A 28 -6.926 -3.212 -3.022 1.00 43.21 C ATOM 416 O TRP A 28 -7.115 -4.431 -3.118 1.00 33.31 O ATOM 417 CB TRP A 28 -8.064 -1.897 -1.173 1.00 3.43 C ATOM 418 CG TRP A 28 -8.019 -1.197 0.159 1.00 41.33 C ATOM 419 CD1 TRP A 28 -7.082 -1.356 1.126 1.00 13.14 C ATOM 420 CD2 TRP A 28 -8.985 -0.246 0.705 1.00 72.32 C ATOM 421 NE1 TRP A 28 -7.395 -0.567 2.212 1.00 32.33 N ATOM 422 CE2 TRP A 28 -8.586 0.090 2.031 1.00 55.42 C ATOM 423 CE3 TRP A 28 -10.196 0.313 0.243 1.00 0.42 C ATOM 424 CZ2 TRP A 28 -9.381 0.867 2.883 1.00 64.43 C ATOM 425 CZ3 TRP A 28 -10.985 1.133 1.075 1.00 64.40 C ATOM 426 CH2 TRP A 28 -10.588 1.393 2.398 1.00 10.12 C ATOM 0 H TRP A 28 -6.015 -0.647 -1.402 1.00 14.41 H new ATOM 0 HA TRP A 28 -6.523 -3.383 -0.952 1.00 71.22 H new ATOM 0 HB2 TRP A 28 -8.360 -1.170 -1.930 1.00 3.43 H new ATOM 0 HB3 TRP A 28 -8.848 -2.654 -1.134 1.00 3.43 H new ATOM 0 HD1 TRP A 28 -6.220 -2.003 1.056 1.00 13.14 H new ATOM 0 HE1 TRP A 28 -6.814 -0.482 3.046 1.00 32.33 H new ATOM 0 HE3 TRP A 28 -10.524 0.109 -0.766 1.00 0.42 H new ATOM 0 HZ2 TRP A 28 -9.069 1.059 3.899 1.00 64.43 H new ATOM 0 HZ3 TRP A 28 -11.899 1.564 0.694 1.00 64.40 H new ATOM 0 HH2 TRP A 28 -11.211 1.997 3.041 1.00 10.12 H new ATOM 437 N GLN A 29 -6.786 -2.422 -4.093 1.00 55.43 N ATOM 438 CA GLN A 29 -6.816 -2.935 -5.457 1.00 31.21 C ATOM 439 C GLN A 29 -5.703 -3.964 -5.668 1.00 63.52 C ATOM 440 O GLN A 29 -5.963 -5.051 -6.174 1.00 1.54 O ATOM 441 CB GLN A 29 -6.791 -1.794 -6.493 1.00 45.41 C ATOM 442 CG GLN A 29 -5.569 -0.885 -6.491 1.00 11.41 C ATOM 443 CD GLN A 29 -5.554 0.215 -7.555 1.00 52.51 C ATOM 444 OE1 GLN A 29 -4.488 0.664 -7.960 1.00 63.42 O ATOM 445 NE2 GLN A 29 -6.692 0.710 -8.010 1.00 52.00 N ATOM 0 H GLN A 29 -6.649 -1.413 -4.033 1.00 55.43 H new ATOM 0 HA GLN A 29 -7.761 -3.455 -5.613 1.00 31.21 H new ATOM 0 HB2 GLN A 29 -6.883 -2.235 -7.485 1.00 45.41 H new ATOM 0 HB3 GLN A 29 -7.674 -1.175 -6.336 1.00 45.41 H new ATOM 0 HG2 GLN A 29 -5.490 -0.416 -5.510 1.00 11.41 H new ATOM 0 HG3 GLN A 29 -4.680 -1.502 -6.622 1.00 11.41 H new ATOM 0 HE21 GLN A 29 -7.580 0.338 -7.674 1.00 52.00 H new ATOM 0 HE22 GLN A 29 -6.682 1.464 -8.697 1.00 52.00 H new ATOM 454 N ALA A 30 -4.472 -3.658 -5.255 1.00 44.22 N ATOM 455 CA ALA A 30 -3.317 -4.523 -5.460 1.00 12.52 C ATOM 456 C ALA A 30 -3.408 -5.841 -4.686 1.00 72.14 C ATOM 457 O ALA A 30 -2.914 -6.860 -5.177 1.00 35.31 O ATOM 458 CB ALA A 30 -2.053 -3.762 -5.067 1.00 34.53 C ATOM 0 H ALA A 30 -4.250 -2.792 -4.764 1.00 44.22 H new ATOM 0 HA ALA A 30 -3.289 -4.793 -6.516 1.00 12.52 H new ATOM 0 HB1 ALA A 30 -1.182 -4.401 -5.217 1.00 34.53 H new ATOM 0 HB2 ALA A 30 -1.959 -2.869 -5.685 1.00 34.53 H new ATOM 0 HB3 ALA A 30 -2.114 -3.472 -4.018 1.00 34.53 H new ATOM 464 N LEU A 31 -4.000 -5.840 -3.487 1.00 72.42 N ATOM 465 CA LEU A 31 -4.391 -7.066 -2.790 1.00 14.11 C ATOM 466 C LEU A 31 -5.371 -7.844 -3.664 1.00 3.03 C ATOM 467 O LEU A 31 -5.173 -9.037 -3.910 1.00 21.05 O ATOM 468 CB LEU A 31 -5.026 -6.717 -1.429 1.00 41.13 C ATOM 469 CG LEU A 31 -4.125 -6.832 -0.190 1.00 63.51 C ATOM 470 CD1 LEU A 31 -2.721 -6.309 -0.399 1.00 11.31 C ATOM 471 CD2 LEU A 31 -4.726 -6.058 0.989 1.00 43.53 C ATOM 0 H LEU A 31 -4.221 -4.987 -2.973 1.00 72.42 H new ATOM 0 HA LEU A 31 -3.513 -7.685 -2.605 1.00 14.11 H new ATOM 0 HB2 LEU A 31 -5.401 -5.695 -1.482 1.00 41.13 H new ATOM 0 HB3 LEU A 31 -5.889 -7.366 -1.282 1.00 41.13 H new ATOM 0 HG LEU A 31 -4.067 -7.901 0.013 1.00 63.51 H new ATOM 0 HD11 LEU A 31 -2.149 -6.426 0.521 1.00 11.31 H new ATOM 0 HD12 LEU A 31 -2.239 -6.870 -1.200 1.00 11.31 H new ATOM 0 HD13 LEU A 31 -2.762 -5.254 -0.669 1.00 11.31 H new ATOM 0 HD21 LEU A 31 -4.073 -6.152 1.857 1.00 43.53 H new ATOM 0 HD22 LEU A 31 -4.825 -5.006 0.721 1.00 43.53 H new ATOM 0 HD23 LEU A 31 -5.708 -6.465 1.229 1.00 43.53 H new ATOM 483 N GLY A 32 -6.399 -7.149 -4.151 1.00 24.32 N ATOM 484 CA GLY A 32 -7.407 -7.676 -5.052 1.00 42.20 C ATOM 485 C GLY A 32 -8.816 -7.526 -4.512 1.00 0.40 C ATOM 486 O GLY A 32 -9.672 -8.265 -4.981 1.00 33.11 O ATOM 0 H GLY A 32 -6.552 -6.168 -3.916 1.00 24.32 H new ATOM 0 HA2 GLY A 32 -7.334 -7.163 -6.011 1.00 42.20 H new ATOM 0 HA3 GLY A 32 -7.205 -8.731 -5.239 1.00 42.20 H new ATOM 490 N TYR A 33 -9.058 -6.648 -3.528 1.00 11.54 N ATOM 491 CA TYR A 33 -10.305 -6.626 -2.763 1.00 60.24 C ATOM 492 C TYR A 33 -11.488 -6.331 -3.675 1.00 53.53 C ATOM 493 O TYR A 33 -12.294 -7.214 -3.904 1.00 70.43 O ATOM 494 CB TYR A 33 -10.224 -5.668 -1.560 1.00 72.14 C ATOM 495 CG TYR A 33 -9.642 -6.308 -0.310 1.00 31.23 C ATOM 496 CD1 TYR A 33 -8.417 -6.992 -0.381 1.00 63.21 C ATOM 497 CD2 TYR A 33 -10.355 -6.296 0.906 1.00 31.54 C ATOM 498 CE1 TYR A 33 -7.927 -7.706 0.723 1.00 31.52 C ATOM 499 CE2 TYR A 33 -9.878 -7.011 2.019 1.00 13.21 C ATOM 500 CZ TYR A 33 -8.666 -7.724 1.923 1.00 61.41 C ATOM 501 OH TYR A 33 -8.213 -8.416 2.994 1.00 1.43 O ATOM 0 H TYR A 33 -8.390 -5.932 -3.242 1.00 11.54 H new ATOM 0 HA TYR A 33 -10.464 -7.618 -2.341 1.00 60.24 H new ATOM 0 HB2 TYR A 33 -9.616 -4.806 -1.833 1.00 72.14 H new ATOM 0 HB3 TYR A 33 -11.223 -5.295 -1.335 1.00 72.14 H new ATOM 0 HD1 TYR A 33 -7.845 -6.968 -1.297 1.00 63.21 H new ATOM 0 HD2 TYR A 33 -11.274 -5.734 0.983 1.00 31.54 H new ATOM 0 HE1 TYR A 33 -6.990 -8.238 0.654 1.00 31.52 H new ATOM 0 HE2 TYR A 33 -10.438 -7.014 2.943 1.00 13.21 H new ATOM 0 HH TYR A 33 -7.618 -9.134 2.692 1.00 1.43 H new ATOM 511 N VAL A 34 -11.516 -5.162 -4.310 1.00 1.33 N ATOM 512 CA VAL A 34 -12.590 -4.590 -5.113 1.00 24.24 C ATOM 513 C VAL A 34 -13.920 -4.491 -4.351 1.00 10.51 C ATOM 514 O VAL A 34 -14.374 -5.426 -3.694 1.00 43.04 O ATOM 515 CB VAL A 34 -12.705 -5.417 -6.400 1.00 34.10 C ATOM 516 CG1 VAL A 34 -13.755 -4.849 -7.360 1.00 24.41 C ATOM 517 CG2 VAL A 34 -11.364 -5.553 -7.131 1.00 50.40 C ATOM 0 H VAL A 34 -10.713 -4.535 -4.271 1.00 1.33 H new ATOM 0 HA VAL A 34 -12.347 -3.557 -5.361 1.00 24.24 H new ATOM 0 HB VAL A 34 -13.024 -6.409 -6.080 1.00 34.10 H new ATOM 0 HG11 VAL A 34 -13.801 -5.467 -8.256 1.00 24.41 H new ATOM 0 HG12 VAL A 34 -14.730 -4.845 -6.872 1.00 24.41 H new ATOM 0 HG13 VAL A 34 -13.483 -3.830 -7.636 1.00 24.41 H new ATOM 0 HG21 VAL A 34 -11.501 -6.147 -8.035 1.00 50.40 H new ATOM 0 HG22 VAL A 34 -10.994 -4.564 -7.400 1.00 50.40 H new ATOM 0 HG23 VAL A 34 -10.642 -6.045 -6.479 1.00 50.40 H new ATOM 527 N TRP A 35 -14.552 -3.322 -4.430 1.00 75.41 N ATOM 528 CA TRP A 35 -15.898 -3.119 -3.926 1.00 34.21 C ATOM 529 C TRP A 35 -16.891 -3.737 -4.913 1.00 25.15 C ATOM 530 O TRP A 35 -16.977 -3.317 -6.075 1.00 23.15 O ATOM 531 CB TRP A 35 -16.134 -1.628 -3.705 1.00 71.10 C ATOM 532 CG TRP A 35 -17.510 -1.258 -3.272 1.00 71.11 C ATOM 533 CD1 TRP A 35 -18.489 -0.834 -4.097 1.00 31.44 C ATOM 534 CD2 TRP A 35 -18.077 -1.260 -1.931 1.00 53.14 C ATOM 535 NE1 TRP A 35 -19.608 -0.524 -3.354 1.00 73.25 N ATOM 536 CE2 TRP A 35 -19.409 -0.758 -2.011 1.00 45.03 C ATOM 537 CE3 TRP A 35 -17.594 -1.616 -0.655 1.00 61.24 C ATOM 538 CZ2 TRP A 35 -20.214 -0.590 -0.878 1.00 2.14 C ATOM 539 CZ3 TRP A 35 -18.392 -1.458 0.493 1.00 54.44 C ATOM 540 CH2 TRP A 35 -19.695 -0.940 0.380 1.00 33.24 C ATOM 0 H TRP A 35 -14.138 -2.489 -4.848 1.00 75.41 H new ATOM 0 HA TRP A 35 -16.039 -3.611 -2.964 1.00 34.21 H new ATOM 0 HB2 TRP A 35 -15.427 -1.272 -2.955 1.00 71.10 H new ATOM 0 HB3 TRP A 35 -15.908 -1.100 -4.632 1.00 71.10 H new ATOM 0 HD1 TRP A 35 -18.409 -0.750 -5.171 1.00 31.44 H new ATOM 0 HE1 TRP A 35 -20.477 -0.165 -3.750 1.00 73.25 H new ATOM 0 HE3 TRP A 35 -16.596 -2.016 -0.557 1.00 61.24 H new ATOM 0 HZ2 TRP A 35 -21.216 -0.198 -0.969 1.00 2.14 H new ATOM 0 HZ3 TRP A 35 -18.004 -1.735 1.462 1.00 54.44 H new ATOM 0 HH2 TRP A 35 -20.300 -0.811 1.265 1.00 33.24 H new ATOM 551 N ASP A 36 -17.604 -4.758 -4.448 1.00 64.31 N ATOM 552 CA ASP A 36 -18.786 -5.340 -5.066 1.00 54.12 C ATOM 553 C ASP A 36 -19.970 -4.452 -4.685 1.00 53.55 C ATOM 554 O ASP A 36 -20.598 -4.622 -3.641 1.00 53.11 O ATOM 555 CB ASP A 36 -18.984 -6.800 -4.588 1.00 30.31 C ATOM 556 CG ASP A 36 -19.090 -7.824 -5.719 1.00 73.02 C ATOM 557 OD1 ASP A 36 -18.543 -7.572 -6.816 1.00 62.02 O ATOM 558 OD2 ASP A 36 -19.682 -8.905 -5.477 1.00 31.31 O ATOM 0 H ASP A 36 -17.355 -5.228 -3.577 1.00 64.31 H new ATOM 0 HA ASP A 36 -18.686 -5.382 -6.151 1.00 54.12 H new ATOM 0 HB2 ASP A 36 -18.150 -7.075 -3.942 1.00 30.31 H new ATOM 0 HB3 ASP A 36 -19.888 -6.852 -3.981 1.00 30.31 H new ATOM 563 N GLU A 37 -20.282 -3.464 -5.519 1.00 13.34 N ATOM 564 CA GLU A 37 -21.395 -2.544 -5.290 1.00 4.11 C ATOM 565 C GLU A 37 -22.744 -3.259 -5.277 1.00 60.45 C ATOM 566 O GLU A 37 -23.664 -2.830 -4.583 1.00 42.43 O ATOM 567 CB GLU A 37 -21.329 -1.436 -6.345 1.00 52.42 C ATOM 568 CG GLU A 37 -22.504 -0.455 -6.286 1.00 62.43 C ATOM 569 CD GLU A 37 -22.119 0.859 -6.960 1.00 1.30 C ATOM 570 OE1 GLU A 37 -22.246 0.967 -8.202 1.00 14.34 O ATOM 571 OE2 GLU A 37 -21.611 1.759 -6.249 1.00 12.52 O ATOM 0 H GLU A 37 -19.767 -3.277 -6.379 1.00 13.34 H new ATOM 0 HA GLU A 37 -21.301 -2.101 -4.299 1.00 4.11 H new ATOM 0 HB2 GLU A 37 -20.399 -0.882 -6.219 1.00 52.42 H new ATOM 0 HB3 GLU A 37 -21.297 -1.891 -7.335 1.00 52.42 H new ATOM 0 HG2 GLU A 37 -23.374 -0.886 -6.781 1.00 62.43 H new ATOM 0 HG3 GLU A 37 -22.785 -0.273 -5.249 1.00 62.43 H new ATOM 578 N ALA A 38 -22.843 -4.390 -5.973 1.00 1.24 N ATOM 579 CA ALA A 38 -24.031 -5.231 -5.985 1.00 24.33 C ATOM 580 C ALA A 38 -24.284 -5.846 -4.606 1.00 33.14 C ATOM 581 O ALA A 38 -25.420 -6.189 -4.272 1.00 5.31 O ATOM 582 CB ALA A 38 -23.831 -6.334 -7.026 1.00 43.34 C ATOM 0 H ALA A 38 -22.085 -4.751 -6.553 1.00 1.24 H new ATOM 0 HA ALA A 38 -24.900 -4.625 -6.239 1.00 24.33 H new ATOM 0 HB1 ALA A 38 -24.712 -6.976 -7.050 1.00 43.34 H new ATOM 0 HB2 ALA A 38 -23.682 -5.885 -8.008 1.00 43.34 H new ATOM 0 HB3 ALA A 38 -22.956 -6.928 -6.763 1.00 43.34 H new ATOM 588 N GLN A 39 -23.237 -5.992 -3.790 1.00 35.00 N ATOM 589 CA GLN A 39 -23.272 -6.725 -2.534 1.00 14.04 C ATOM 590 C GLN A 39 -22.909 -5.822 -1.351 1.00 14.11 C ATOM 591 O GLN A 39 -22.953 -6.280 -0.212 1.00 14.23 O ATOM 592 CB GLN A 39 -22.453 -8.022 -2.669 1.00 45.22 C ATOM 593 CG GLN A 39 -22.951 -8.809 -3.886 1.00 20.24 C ATOM 594 CD GLN A 39 -22.623 -10.292 -3.867 1.00 74.01 C ATOM 595 OE1 GLN A 39 -23.293 -11.076 -3.194 1.00 72.31 O ATOM 596 NE2 GLN A 39 -21.648 -10.703 -4.654 1.00 23.04 N ATOM 0 H GLN A 39 -22.321 -5.592 -3.995 1.00 35.00 H new ATOM 0 HA GLN A 39 -24.288 -7.047 -2.305 1.00 14.04 H new ATOM 0 HB2 GLN A 39 -21.394 -7.788 -2.781 1.00 45.22 H new ATOM 0 HB3 GLN A 39 -22.552 -8.624 -1.766 1.00 45.22 H new ATOM 0 HG2 GLN A 39 -24.032 -8.692 -3.958 1.00 20.24 H new ATOM 0 HG3 GLN A 39 -22.522 -8.368 -4.786 1.00 20.24 H new ATOM 0 HE21 GLN A 39 -21.112 -10.027 -5.198 1.00 23.04 H new ATOM 0 HE22 GLN A 39 -21.429 -11.697 -4.719 1.00 23.04 H new ATOM 605 N SER A 40 -22.597 -4.544 -1.627 1.00 72.42 N ATOM 606 CA SER A 40 -22.110 -3.523 -0.722 1.00 10.02 C ATOM 607 C SER A 40 -20.995 -4.045 0.198 1.00 71.44 C ATOM 608 O SER A 40 -20.976 -3.774 1.405 1.00 41.31 O ATOM 609 CB SER A 40 -23.261 -2.758 -0.057 1.00 3.20 C ATOM 610 OG SER A 40 -24.263 -3.594 0.481 1.00 73.10 O ATOM 0 H SER A 40 -22.692 -4.181 -2.576 1.00 72.42 H new ATOM 0 HA SER A 40 -21.599 -2.751 -1.298 1.00 10.02 H new ATOM 0 HB2 SER A 40 -22.857 -2.132 0.739 1.00 3.20 H new ATOM 0 HB3 SER A 40 -23.713 -2.090 -0.790 1.00 3.20 H new ATOM 0 HG SER A 40 -24.963 -3.044 0.890 1.00 73.10 H new ATOM 616 N CYS A 41 -20.069 -4.816 -0.383 1.00 2.40 N ATOM 617 CA CYS A 41 -18.964 -5.399 0.365 1.00 1.23 C ATOM 618 C CYS A 41 -17.706 -5.530 -0.480 1.00 54.22 C ATOM 619 O CYS A 41 -17.702 -5.251 -1.678 1.00 61.22 O ATOM 620 CB CYS A 41 -19.405 -6.737 0.991 1.00 11.45 C ATOM 621 SG CYS A 41 -19.968 -7.898 -0.279 1.00 52.22 S ATOM 0 H CYS A 41 -20.069 -5.048 -1.376 1.00 2.40 H new ATOM 0 HA CYS A 41 -18.697 -4.722 1.176 1.00 1.23 H new ATOM 0 HB2 CYS A 41 -18.574 -7.174 1.545 1.00 11.45 H new ATOM 0 HB3 CYS A 41 -20.207 -6.560 1.707 1.00 11.45 H new ATOM 0 HG CYS A 41 -20.330 -9.013 0.282 1.00 52.22 H new ATOM 627 N TRP A 42 -16.623 -5.919 0.180 1.00 15.41 N ATOM 628 CA TRP A 42 -15.303 -6.060 -0.390 1.00 73.15 C ATOM 629 C TRP A 42 -15.131 -7.503 -0.828 1.00 63.54 C ATOM 630 O TRP A 42 -15.350 -8.404 -0.014 1.00 35.20 O ATOM 631 CB TRP A 42 -14.312 -5.671 0.706 1.00 74.34 C ATOM 632 CG TRP A 42 -14.433 -4.214 1.044 1.00 5.33 C ATOM 633 CD1 TRP A 42 -15.021 -3.665 2.140 1.00 43.12 C ATOM 634 CD2 TRP A 42 -14.027 -3.095 0.206 1.00 71.14 C ATOM 635 NE1 TRP A 42 -14.981 -2.286 2.032 1.00 31.34 N ATOM 636 CE2 TRP A 42 -14.355 -1.882 0.872 1.00 42.53 C ATOM 637 CE3 TRP A 42 -13.426 -2.994 -1.067 1.00 12.13 C ATOM 638 CZ2 TRP A 42 -14.053 -0.629 0.320 1.00 22.04 C ATOM 639 CZ3 TRP A 42 -13.120 -1.742 -1.632 1.00 4.03 C ATOM 640 CH2 TRP A 42 -13.434 -0.560 -0.939 1.00 1.04 C ATOM 0 H TRP A 42 -16.649 -6.154 1.172 1.00 15.41 H new ATOM 0 HA TRP A 42 -15.142 -5.426 -1.262 1.00 73.15 H new ATOM 0 HB2 TRP A 42 -14.495 -6.272 1.597 1.00 74.34 H new ATOM 0 HB3 TRP A 42 -13.296 -5.889 0.377 1.00 74.34 H new ATOM 0 HD1 TRP A 42 -15.451 -4.217 2.963 1.00 43.12 H new ATOM 0 HE1 TRP A 42 -15.368 -1.646 2.726 1.00 31.34 H new ATOM 0 HE3 TRP A 42 -13.197 -3.894 -1.618 1.00 12.13 H new ATOM 0 HZ2 TRP A 42 -14.294 0.276 0.858 1.00 22.04 H new ATOM 0 HZ3 TRP A 42 -12.643 -1.689 -2.600 1.00 4.03 H new ATOM 0 HH2 TRP A 42 -13.200 0.400 -1.374 1.00 1.04 H new ATOM 651 N LYS A 43 -14.786 -7.762 -2.093 1.00 54.41 N ATOM 652 CA LYS A 43 -14.620 -9.143 -2.514 1.00 61.52 C ATOM 653 C LYS A 43 -13.333 -9.701 -1.930 1.00 65.34 C ATOM 654 O LYS A 43 -12.375 -8.977 -1.657 1.00 63.24 O ATOM 655 CB LYS A 43 -14.638 -9.261 -4.039 1.00 24.35 C ATOM 656 CG LYS A 43 -16.050 -9.247 -4.589 1.00 62.03 C ATOM 657 CD LYS A 43 -16.035 -9.473 -6.099 1.00 22.44 C ATOM 658 CE LYS A 43 -15.589 -8.191 -6.796 1.00 52.35 C ATOM 659 NZ LYS A 43 -15.625 -8.358 -8.254 1.00 34.13 N ATOM 0 H LYS A 43 -14.623 -7.059 -2.814 1.00 54.41 H new ATOM 0 HA LYS A 43 -15.458 -9.731 -2.139 1.00 61.52 H new ATOM 0 HB2 LYS A 43 -14.071 -8.438 -4.474 1.00 24.35 H new ATOM 0 HB3 LYS A 43 -14.141 -10.184 -4.338 1.00 24.35 H new ATOM 0 HG2 LYS A 43 -16.643 -10.022 -4.105 1.00 62.03 H new ATOM 0 HG3 LYS A 43 -16.526 -8.293 -4.362 1.00 62.03 H new ATOM 0 HD2 LYS A 43 -15.359 -10.291 -6.349 1.00 22.44 H new ATOM 0 HD3 LYS A 43 -17.027 -9.762 -6.445 1.00 22.44 H new ATOM 0 HE2 LYS A 43 -16.238 -7.366 -6.503 1.00 52.35 H new ATOM 0 HE3 LYS A 43 -14.579 -7.930 -6.479 1.00 52.35 H new ATOM 0 HZ1 LYS A 43 -15.318 -7.476 -8.712 1.00 34.13 H new ATOM 0 HZ2 LYS A 43 -14.987 -9.132 -8.531 1.00 34.13 H new ATOM 0 HZ3 LYS A 43 -16.595 -8.585 -8.554 1.00 34.13 H new ATOM 673 N THR A 44 -13.268 -11.022 -1.835 1.00 54.34 N ATOM 674 CA THR A 44 -12.084 -11.730 -1.375 1.00 71.03 C ATOM 675 C THR A 44 -11.744 -12.901 -2.314 1.00 41.43 C ATOM 676 O THR A 44 -10.820 -13.674 -2.052 1.00 13.31 O ATOM 677 CB THR A 44 -12.248 -12.068 0.121 1.00 22.02 C ATOM 678 OG1 THR A 44 -13.548 -12.516 0.453 1.00 3.14 O ATOM 679 CG2 THR A 44 -11.959 -10.836 1.000 1.00 20.42 C ATOM 0 H THR A 44 -14.044 -11.637 -2.078 1.00 54.34 H new ATOM 0 HA THR A 44 -11.194 -11.103 -1.430 1.00 71.03 H new ATOM 0 HB THR A 44 -11.534 -12.870 0.309 1.00 22.02 H new ATOM 0 HG1 THR A 44 -13.590 -12.716 1.411 1.00 3.14 H new ATOM 0 HG21 THR A 44 -12.082 -11.101 2.050 1.00 20.42 H new ATOM 0 HG22 THR A 44 -10.937 -10.498 0.828 1.00 20.42 H new ATOM 0 HG23 THR A 44 -12.654 -10.036 0.744 1.00 20.42 H new ATOM 687 N ASP A 45 -12.421 -12.991 -3.466 1.00 4.33 N ATOM 688 CA ASP A 45 -12.206 -13.999 -4.491 1.00 62.21 C ATOM 689 C ASP A 45 -10.821 -13.810 -5.078 1.00 53.22 C ATOM 690 O ASP A 45 -10.057 -14.768 -5.166 1.00 61.23 O ATOM 691 CB ASP A 45 -13.247 -13.871 -5.620 1.00 63.24 C ATOM 692 CG ASP A 45 -14.517 -14.702 -5.445 1.00 21.23 C ATOM 693 OD1 ASP A 45 -14.627 -15.510 -4.492 1.00 3.10 O ATOM 694 OD2 ASP A 45 -15.402 -14.595 -6.327 1.00 20.45 O ATOM 0 H ASP A 45 -13.161 -12.333 -3.711 1.00 4.33 H new ATOM 0 HA ASP A 45 -12.305 -14.985 -4.037 1.00 62.21 H new ATOM 0 HB2 ASP A 45 -13.530 -12.822 -5.711 1.00 63.24 H new ATOM 0 HB3 ASP A 45 -12.774 -14.156 -6.560 1.00 63.24 H new ATOM 699 N LEU A 46 -10.493 -12.583 -5.505 1.00 32.45 N ATOM 700 CA LEU A 46 -9.251 -12.346 -6.230 1.00 34.32 C ATOM 701 C LEU A 46 -8.067 -12.073 -5.299 1.00 54.33 C ATOM 702 O LEU A 46 -6.961 -11.798 -5.776 1.00 73.13 O ATOM 703 CB LEU A 46 -9.398 -11.221 -7.268 1.00 74.33 C ATOM 704 CG LEU A 46 -10.291 -11.609 -8.462 1.00 50.42 C ATOM 705 CD1 LEU A 46 -11.729 -11.115 -8.284 1.00 12.32 C ATOM 706 CD2 LEU A 46 -9.720 -11.001 -9.748 1.00 73.53 C ATOM 0 H LEU A 46 -11.067 -11.752 -5.360 1.00 32.45 H new ATOM 0 HA LEU A 46 -9.035 -13.272 -6.763 1.00 34.32 H new ATOM 0 HB2 LEU A 46 -9.816 -10.339 -6.782 1.00 74.33 H new ATOM 0 HB3 LEU A 46 -8.410 -10.944 -7.636 1.00 74.33 H new ATOM 0 HG LEU A 46 -10.305 -12.697 -8.521 1.00 50.42 H new ATOM 0 HD11 LEU A 46 -12.325 -11.410 -9.148 1.00 12.32 H new ATOM 0 HD12 LEU A 46 -12.156 -11.554 -7.382 1.00 12.32 H new ATOM 0 HD13 LEU A 46 -11.732 -10.029 -8.195 1.00 12.32 H new ATOM 0 HD21 LEU A 46 -10.352 -11.276 -10.592 1.00 73.53 H new ATOM 0 HD22 LEU A 46 -9.690 -9.915 -9.655 1.00 73.53 H new ATOM 0 HD23 LEU A 46 -8.711 -11.379 -9.912 1.00 73.53 H new ATOM 718 N VAL A 47 -8.291 -12.086 -3.989 1.00 73.01 N ATOM 719 CA VAL A 47 -7.278 -11.826 -2.988 1.00 2.13 C ATOM 720 C VAL A 47 -6.494 -13.130 -2.774 1.00 33.32 C ATOM 721 O VAL A 47 -7.020 -14.234 -2.942 1.00 30.42 O ATOM 722 CB VAL A 47 -7.975 -11.266 -1.729 1.00 43.34 C ATOM 723 CG1 VAL A 47 -6.973 -10.914 -0.621 1.00 35.31 C ATOM 724 CG2 VAL A 47 -8.752 -9.973 -2.052 1.00 75.11 C ATOM 0 H VAL A 47 -9.209 -12.284 -3.590 1.00 73.01 H new ATOM 0 HA VAL A 47 -6.551 -11.071 -3.287 1.00 2.13 H new ATOM 0 HB VAL A 47 -8.647 -12.055 -1.390 1.00 43.34 H new ATOM 0 HG11 VAL A 47 -7.509 -10.524 0.244 1.00 35.31 H new ATOM 0 HG12 VAL A 47 -6.420 -11.808 -0.333 1.00 35.31 H new ATOM 0 HG13 VAL A 47 -6.277 -10.159 -0.987 1.00 35.31 H new ATOM 0 HG21 VAL A 47 -9.232 -9.601 -1.147 1.00 75.11 H new ATOM 0 HG22 VAL A 47 -8.062 -9.219 -2.432 1.00 75.11 H new ATOM 0 HG23 VAL A 47 -9.511 -10.183 -2.805 1.00 75.11 H new ATOM 734 N ALA A 48 -5.204 -13.008 -2.457 1.00 13.20 N ATOM 735 CA ALA A 48 -4.363 -14.146 -2.103 1.00 4.21 C ATOM 736 C ALA A 48 -4.828 -14.738 -0.757 1.00 4.05 C ATOM 737 O ALA A 48 -5.399 -13.990 0.046 1.00 25.34 O ATOM 738 CB ALA A 48 -2.908 -13.673 -2.067 1.00 40.13 C ATOM 0 H ALA A 48 -4.714 -12.113 -2.439 1.00 13.20 H new ATOM 0 HA ALA A 48 -4.445 -14.943 -2.842 1.00 4.21 H new ATOM 0 HB1 ALA A 48 -2.260 -14.509 -1.804 1.00 40.13 H new ATOM 0 HB2 ALA A 48 -2.626 -13.290 -3.048 1.00 40.13 H new ATOM 0 HB3 ALA A 48 -2.801 -12.883 -1.324 1.00 40.13 H new ATOM 744 N PRO A 49 -4.597 -16.033 -0.473 1.00 23.32 N ATOM 745 CA PRO A 49 -5.122 -16.686 0.723 1.00 14.03 C ATOM 746 C PRO A 49 -4.590 -16.021 1.983 1.00 3.05 C ATOM 747 O PRO A 49 -5.370 -15.809 2.910 1.00 11.22 O ATOM 748 CB PRO A 49 -4.727 -18.161 0.612 1.00 54.31 C ATOM 749 CG PRO A 49 -3.532 -18.161 -0.338 1.00 10.40 C ATOM 750 CD PRO A 49 -3.814 -16.976 -1.259 1.00 74.43 C ATOM 0 HA PRO A 49 -6.206 -16.597 0.794 1.00 14.03 H new ATOM 0 HB2 PRO A 49 -4.462 -18.576 1.584 1.00 54.31 H new ATOM 0 HB3 PRO A 49 -5.546 -18.764 0.221 1.00 54.31 H new ATOM 0 HG2 PRO A 49 -2.591 -18.038 0.199 1.00 10.40 H new ATOM 0 HG3 PRO A 49 -3.461 -19.095 -0.895 1.00 10.40 H new ATOM 0 HD2 PRO A 49 -2.886 -16.520 -1.603 1.00 74.43 H new ATOM 0 HD3 PRO A 49 -4.362 -17.293 -2.146 1.00 74.43 H new ATOM 758 N GLU A 50 -3.321 -15.597 2.003 1.00 33.12 N ATOM 759 CA GLU A 50 -2.753 -14.923 3.148 1.00 3.14 C ATOM 760 C GLU A 50 -3.456 -13.593 3.446 1.00 35.31 C ATOM 761 O GLU A 50 -3.465 -13.186 4.597 1.00 15.01 O ATOM 762 CB GLU A 50 -1.243 -14.734 2.946 1.00 54.24 C ATOM 763 CG GLU A 50 -0.863 -13.940 1.681 1.00 12.34 C ATOM 764 CD GLU A 50 -0.460 -14.819 0.503 1.00 30.12 C ATOM 765 OE1 GLU A 50 -1.344 -15.514 -0.027 1.00 13.05 O ATOM 766 OE2 GLU A 50 0.734 -14.791 0.112 1.00 74.21 O ATOM 0 H GLU A 50 -2.673 -15.716 1.225 1.00 33.12 H new ATOM 0 HA GLU A 50 -2.912 -15.552 4.024 1.00 3.14 H new ATOM 0 HB2 GLU A 50 -0.834 -14.223 3.817 1.00 54.24 H new ATOM 0 HB3 GLU A 50 -0.770 -15.715 2.900 1.00 54.24 H new ATOM 0 HG2 GLU A 50 -1.708 -13.318 1.386 1.00 12.34 H new ATOM 0 HG3 GLU A 50 -0.039 -13.267 1.919 1.00 12.34 H new ATOM 773 N TRP A 51 -4.063 -12.911 2.463 1.00 61.31 N ATOM 774 CA TRP A 51 -4.624 -11.574 2.660 1.00 33.34 C ATOM 775 C TRP A 51 -6.119 -11.552 2.900 1.00 22.13 C ATOM 776 O TRP A 51 -6.589 -10.569 3.470 1.00 14.41 O ATOM 777 CB TRP A 51 -4.302 -10.663 1.476 1.00 72.21 C ATOM 778 CG TRP A 51 -3.018 -9.930 1.623 1.00 32.04 C ATOM 779 CD1 TRP A 51 -1.939 -10.112 0.845 1.00 60.31 C ATOM 780 CD2 TRP A 51 -2.678 -8.855 2.550 1.00 12.24 C ATOM 781 NE1 TRP A 51 -0.935 -9.264 1.254 1.00 13.51 N ATOM 782 CE2 TRP A 51 -1.332 -8.459 2.300 1.00 33.20 C ATOM 783 CE3 TRP A 51 -3.371 -8.164 3.568 1.00 60.51 C ATOM 784 CZ2 TRP A 51 -0.698 -7.448 3.038 1.00 33.40 C ATOM 785 CZ3 TRP A 51 -2.759 -7.115 4.278 1.00 24.12 C ATOM 786 CH2 TRP A 51 -1.427 -6.754 4.015 1.00 71.41 C ATOM 0 H TRP A 51 -4.176 -13.272 1.516 1.00 61.31 H new ATOM 0 HA TRP A 51 -4.148 -11.207 3.569 1.00 33.34 H new ATOM 0 HB2 TRP A 51 -4.267 -11.262 0.566 1.00 72.21 H new ATOM 0 HB3 TRP A 51 -5.110 -9.942 1.352 1.00 72.21 H new ATOM 0 HD1 TRP A 51 -1.870 -10.814 0.027 1.00 60.31 H new ATOM 0 HE1 TRP A 51 -0.007 -9.235 0.833 1.00 13.51 H new ATOM 0 HE3 TRP A 51 -4.386 -8.445 3.805 1.00 60.51 H new ATOM 0 HZ2 TRP A 51 0.339 -7.207 2.856 1.00 33.40 H new ATOM 0 HZ3 TRP A 51 -3.319 -6.582 5.033 1.00 24.12 H new ATOM 0 HH2 TRP A 51 -0.966 -5.945 4.563 1.00 71.41 H new ATOM 797 N ARG A 52 -6.879 -12.569 2.496 1.00 51.11 N ATOM 798 CA ARG A 52 -8.298 -12.643 2.865 1.00 21.41 C ATOM 799 C ARG A 52 -8.522 -13.386 4.178 1.00 44.02 C ATOM 800 O ARG A 52 -9.634 -13.361 4.691 1.00 10.22 O ATOM 801 CB ARG A 52 -9.110 -13.289 1.745 1.00 44.30 C ATOM 802 CG ARG A 52 -8.784 -14.768 1.518 1.00 44.24 C ATOM 803 CD ARG A 52 -9.477 -15.218 0.239 1.00 30.11 C ATOM 804 NE ARG A 52 -9.238 -16.637 -0.018 1.00 52.11 N ATOM 805 CZ ARG A 52 -9.303 -17.228 -1.212 1.00 51.04 C ATOM 806 NH1 ARG A 52 -9.677 -16.549 -2.298 1.00 40.11 N ATOM 807 NH2 ARG A 52 -8.974 -18.510 -1.277 1.00 42.35 N ATOM 0 H ARG A 52 -6.546 -13.344 1.922 1.00 51.11 H new ATOM 0 HA ARG A 52 -8.641 -11.619 3.013 1.00 21.41 H new ATOM 0 HB2 ARG A 52 -10.171 -13.192 1.976 1.00 44.30 H new ATOM 0 HB3 ARG A 52 -8.934 -12.742 0.819 1.00 44.30 H new ATOM 0 HG2 ARG A 52 -7.707 -14.911 1.437 1.00 44.24 H new ATOM 0 HG3 ARG A 52 -9.123 -15.366 2.364 1.00 44.24 H new ATOM 0 HD2 ARG A 52 -10.549 -15.035 0.319 1.00 30.11 H new ATOM 0 HD3 ARG A 52 -9.115 -14.627 -0.602 1.00 30.11 H new ATOM 0 HE ARG A 52 -9.002 -17.224 0.782 1.00 52.11 H new ATOM 0 HH11 ARG A 52 -9.919 -15.561 -2.223 1.00 40.11 H new ATOM 0 HH12 ARG A 52 -9.721 -17.018 -3.203 1.00 40.11 H new ATOM 0 HH21 ARG A 52 -8.685 -19.006 -0.434 1.00 42.35 H new ATOM 0 HH22 ARG A 52 -9.010 -19.001 -2.170 1.00 42.35 H new ATOM 821 N GLN A 53 -7.478 -14.041 4.683 1.00 54.51 N ATOM 822 CA GLN A 53 -7.471 -15.057 5.719 1.00 73.01 C ATOM 823 C GLN A 53 -8.327 -14.736 6.940 1.00 62.53 C ATOM 824 O GLN A 53 -8.916 -15.643 7.519 1.00 23.12 O ATOM 825 CB GLN A 53 -6.009 -15.255 6.141 1.00 12.11 C ATOM 826 CG GLN A 53 -5.611 -16.723 6.108 1.00 14.32 C ATOM 827 CD GLN A 53 -4.140 -16.923 6.468 1.00 44.11 C ATOM 828 OE1 GLN A 53 -3.434 -16.037 6.945 1.00 33.44 O ATOM 829 NE2 GLN A 53 -3.623 -18.117 6.265 1.00 33.53 N ATOM 0 H GLN A 53 -6.535 -13.853 4.343 1.00 54.51 H new ATOM 0 HA GLN A 53 -7.918 -15.959 5.302 1.00 73.01 H new ATOM 0 HB2 GLN A 53 -5.358 -14.686 5.478 1.00 12.11 H new ATOM 0 HB3 GLN A 53 -5.863 -14.860 7.147 1.00 12.11 H new ATOM 0 HG2 GLN A 53 -6.235 -17.284 6.804 1.00 14.32 H new ATOM 0 HG3 GLN A 53 -5.800 -17.128 5.114 1.00 14.32 H new ATOM 0 HE21 GLN A 53 -4.198 -18.861 5.870 1.00 33.53 H new ATOM 0 HE22 GLN A 53 -2.648 -18.298 6.503 1.00 33.53 H new ATOM 838 N ASP A 54 -8.350 -13.473 7.357 1.00 64.42 N ATOM 839 CA ASP A 54 -9.034 -13.031 8.567 1.00 4.24 C ATOM 840 C ASP A 54 -9.477 -11.571 8.398 1.00 31.12 C ATOM 841 O ASP A 54 -9.481 -10.793 9.357 1.00 52.23 O ATOM 842 CB ASP A 54 -8.106 -13.250 9.778 1.00 15.54 C ATOM 843 CG ASP A 54 -8.545 -14.411 10.662 1.00 12.10 C ATOM 844 OD1 ASP A 54 -9.740 -14.501 11.039 1.00 43.53 O ATOM 845 OD2 ASP A 54 -7.663 -15.183 11.100 1.00 2.42 O ATOM 0 H ASP A 54 -7.886 -12.716 6.855 1.00 64.42 H new ATOM 0 HA ASP A 54 -9.937 -13.615 8.745 1.00 4.24 H new ATOM 0 HB2 ASP A 54 -7.092 -13.434 9.423 1.00 15.54 H new ATOM 0 HB3 ASP A 54 -8.075 -12.338 10.374 1.00 15.54 H new ATOM 850 N TYR A 55 -9.732 -11.157 7.154 1.00 64.50 N ATOM 851 CA TYR A 55 -9.989 -9.770 6.776 1.00 62.04 C ATOM 852 C TYR A 55 -11.427 -9.639 6.255 1.00 41.22 C ATOM 853 O TYR A 55 -11.659 -9.729 5.040 1.00 53.02 O ATOM 854 CB TYR A 55 -8.975 -9.254 5.754 1.00 50.34 C ATOM 855 CG TYR A 55 -7.634 -8.777 6.288 1.00 5.21 C ATOM 856 CD1 TYR A 55 -6.949 -9.495 7.281 1.00 24.04 C ATOM 857 CD2 TYR A 55 -7.053 -7.597 5.782 1.00 64.04 C ATOM 858 CE1 TYR A 55 -5.707 -9.070 7.747 1.00 23.42 C ATOM 859 CE2 TYR A 55 -5.812 -7.146 6.259 1.00 61.24 C ATOM 860 CZ TYR A 55 -5.138 -7.883 7.253 1.00 52.11 C ATOM 861 OH TYR A 55 -4.027 -7.397 7.855 1.00 5.43 O ATOM 0 H TYR A 55 -9.766 -11.798 6.361 1.00 64.50 H new ATOM 0 HA TYR A 55 -9.873 -9.146 7.662 1.00 62.04 H new ATOM 0 HB2 TYR A 55 -8.788 -10.049 5.032 1.00 50.34 H new ATOM 0 HB3 TYR A 55 -9.434 -8.430 5.208 1.00 50.34 H new ATOM 0 HD1 TYR A 55 -7.392 -10.391 7.690 1.00 24.04 H new ATOM 0 HD2 TYR A 55 -7.568 -7.033 5.019 1.00 64.04 H new ATOM 0 HE1 TYR A 55 -5.181 -9.653 8.488 1.00 23.42 H new ATOM 0 HE2 TYR A 55 -5.376 -6.239 5.866 1.00 61.24 H new ATOM 0 HH TYR A 55 -3.346 -7.203 7.177 1.00 5.43 H new ATOM 871 N PRO A 56 -12.424 -9.458 7.129 1.00 72.34 N ATOM 872 CA PRO A 56 -13.787 -9.180 6.695 1.00 33.03 C ATOM 873 C PRO A 56 -13.966 -7.763 6.135 1.00 74.11 C ATOM 874 O PRO A 56 -14.992 -7.493 5.502 1.00 31.12 O ATOM 875 CB PRO A 56 -14.647 -9.416 7.938 1.00 2.34 C ATOM 876 CG PRO A 56 -13.703 -9.103 9.100 1.00 61.35 C ATOM 877 CD PRO A 56 -12.347 -9.574 8.577 1.00 55.33 C ATOM 0 HA PRO A 56 -14.073 -9.825 5.864 1.00 33.03 H new ATOM 0 HB2 PRO A 56 -15.522 -8.767 7.948 1.00 2.34 H new ATOM 0 HB3 PRO A 56 -15.011 -10.442 7.984 1.00 2.34 H new ATOM 0 HG2 PRO A 56 -13.696 -8.040 9.339 1.00 61.35 H new ATOM 0 HG3 PRO A 56 -13.991 -9.632 10.008 1.00 61.35 H new ATOM 0 HD2 PRO A 56 -11.539 -8.962 8.977 1.00 55.33 H new ATOM 0 HD3 PRO A 56 -12.147 -10.602 8.878 1.00 55.33 H new ATOM 885 N GLU A 57 -13.003 -6.868 6.363 1.00 23.12 N ATOM 886 CA GLU A 57 -13.012 -5.461 5.970 1.00 3.42 C ATOM 887 C GLU A 57 -11.631 -5.078 5.432 1.00 61.14 C ATOM 888 O GLU A 57 -10.648 -5.773 5.719 1.00 60.03 O ATOM 889 CB GLU A 57 -13.396 -4.616 7.200 1.00 32.31 C ATOM 890 CG GLU A 57 -14.923 -4.604 7.342 1.00 43.12 C ATOM 891 CD GLU A 57 -15.420 -4.400 8.783 1.00 71.24 C ATOM 892 OE1 GLU A 57 -14.702 -3.831 9.643 1.00 51.13 O ATOM 893 OE2 GLU A 57 -16.515 -4.941 9.079 1.00 40.12 O ATOM 0 H GLU A 57 -12.147 -7.123 6.856 1.00 23.12 H new ATOM 0 HA GLU A 57 -13.740 -5.279 5.179 1.00 3.42 H new ATOM 0 HB2 GLU A 57 -12.938 -5.029 8.098 1.00 32.31 H new ATOM 0 HB3 GLU A 57 -13.020 -3.599 7.090 1.00 32.31 H new ATOM 0 HG2 GLU A 57 -15.329 -3.811 6.714 1.00 43.12 H new ATOM 0 HG3 GLU A 57 -15.319 -5.546 6.963 1.00 43.12 H new ATOM 900 N PRO A 58 -11.515 -3.991 4.654 1.00 31.23 N ATOM 901 CA PRO A 58 -10.254 -3.628 4.056 1.00 14.41 C ATOM 902 C PRO A 58 -9.384 -2.956 5.125 1.00 32.50 C ATOM 903 O PRO A 58 -9.905 -2.367 6.080 1.00 13.12 O ATOM 904 CB PRO A 58 -10.629 -2.684 2.919 1.00 22.42 C ATOM 905 CG PRO A 58 -11.814 -1.922 3.501 1.00 42.41 C ATOM 906 CD PRO A 58 -12.526 -3.005 4.318 1.00 65.12 C ATOM 0 HA PRO A 58 -9.676 -4.470 3.674 1.00 14.41 H new ATOM 0 HB2 PRO A 58 -9.807 -2.018 2.657 1.00 22.42 H new ATOM 0 HB3 PRO A 58 -10.901 -3.227 2.014 1.00 22.42 H new ATOM 0 HG2 PRO A 58 -11.494 -1.086 4.124 1.00 42.41 H new ATOM 0 HG3 PRO A 58 -12.456 -1.512 2.722 1.00 42.41 H new ATOM 0 HD2 PRO A 58 -12.972 -2.583 5.218 1.00 65.12 H new ATOM 0 HD3 PRO A 58 -13.335 -3.457 3.744 1.00 65.12 H new ATOM 914 N PRO A 59 -8.058 -3.012 4.978 1.00 42.40 N ATOM 915 CA PRO A 59 -7.166 -2.442 5.962 1.00 23.25 C ATOM 916 C PRO A 59 -7.095 -0.921 5.820 1.00 72.54 C ATOM 917 O PRO A 59 -6.500 -0.424 4.864 1.00 54.41 O ATOM 918 CB PRO A 59 -5.824 -3.117 5.723 1.00 2.24 C ATOM 919 CG PRO A 59 -5.861 -3.523 4.248 1.00 62.44 C ATOM 920 CD PRO A 59 -7.336 -3.804 3.997 1.00 71.24 C ATOM 0 HA PRO A 59 -7.508 -2.614 6.983 1.00 23.25 H new ATOM 0 HB2 PRO A 59 -4.996 -2.439 5.928 1.00 2.24 H new ATOM 0 HB3 PRO A 59 -5.694 -3.984 6.371 1.00 2.24 H new ATOM 0 HG2 PRO A 59 -5.488 -2.728 3.603 1.00 62.44 H new ATOM 0 HG3 PRO A 59 -5.246 -4.403 4.058 1.00 62.44 H new ATOM 0 HD2 PRO A 59 -7.621 -3.526 2.982 1.00 71.24 H new ATOM 0 HD3 PRO A 59 -7.558 -4.865 4.110 1.00 71.24 H new ATOM 928 N ASP A 60 -7.676 -0.174 6.759 1.00 25.12 N ATOM 929 CA ASP A 60 -7.390 1.257 6.876 1.00 33.35 C ATOM 930 C ASP A 60 -5.988 1.414 7.456 1.00 32.05 C ATOM 931 O ASP A 60 -5.756 1.026 8.606 1.00 21.33 O ATOM 932 CB ASP A 60 -8.389 2.020 7.768 1.00 60.02 C ATOM 933 CG ASP A 60 -8.035 3.509 7.807 1.00 61.00 C ATOM 934 OD1 ASP A 60 -7.343 3.989 6.887 1.00 24.23 O ATOM 935 OD2 ASP A 60 -8.387 4.185 8.802 1.00 75.02 O ATOM 0 H ASP A 60 -8.342 -0.531 7.444 1.00 25.12 H new ATOM 0 HA ASP A 60 -7.476 1.688 5.878 1.00 33.35 H new ATOM 0 HB2 ASP A 60 -9.402 1.890 7.386 1.00 60.02 H new ATOM 0 HB3 ASP A 60 -8.374 1.609 8.777 1.00 60.02 H new ATOM 940 N PHE A 61 -5.048 1.939 6.674 1.00 11.45 N ATOM 941 CA PHE A 61 -3.693 2.243 7.129 1.00 73.13 C ATOM 942 C PHE A 61 -3.541 3.706 7.542 1.00 64.13 C ATOM 943 O PHE A 61 -2.423 4.108 7.884 1.00 14.43 O ATOM 944 CB PHE A 61 -2.709 1.988 5.988 1.00 55.31 C ATOM 945 CG PHE A 61 -2.659 0.581 5.454 1.00 52.33 C ATOM 946 CD1 PHE A 61 -3.518 0.218 4.406 1.00 11.12 C ATOM 947 CD2 PHE A 61 -1.725 -0.344 5.956 1.00 74.31 C ATOM 948 CE1 PHE A 61 -3.447 -1.066 3.860 1.00 24.31 C ATOM 949 CE2 PHE A 61 -1.687 -1.650 5.436 1.00 51.31 C ATOM 950 CZ PHE A 61 -2.551 -2.009 4.388 1.00 42.11 C ATOM 0 H PHE A 61 -5.208 2.168 5.693 1.00 11.45 H new ATOM 0 HA PHE A 61 -3.492 1.606 7.990 1.00 73.13 H new ATOM 0 HB2 PHE A 61 -2.958 2.658 5.165 1.00 55.31 H new ATOM 0 HB3 PHE A 61 -1.710 2.260 6.330 1.00 55.31 H new ATOM 0 HD1 PHE A 61 -4.233 0.930 4.022 1.00 11.12 H new ATOM 0 HD2 PHE A 61 -1.040 -0.052 6.738 1.00 74.31 H new ATOM 0 HE1 PHE A 61 -4.083 -1.334 3.029 1.00 24.31 H new ATOM 0 HE2 PHE A 61 -0.996 -2.375 5.841 1.00 51.31 H new ATOM 0 HZ PHE A 61 -2.526 -3.012 3.988 1.00 42.11 H new ATOM 960 N ILE A 62 -4.582 4.528 7.403 1.00 54.02 N ATOM 961 CA ILE A 62 -4.565 5.937 7.764 1.00 41.23 C ATOM 962 C ILE A 62 -4.668 5.986 9.296 1.00 74.04 C ATOM 963 O ILE A 62 -3.757 6.483 9.959 1.00 65.23 O ATOM 964 CB ILE A 62 -5.711 6.694 7.041 1.00 54.52 C ATOM 965 CG1 ILE A 62 -5.820 6.437 5.516 1.00 62.52 C ATOM 966 CG2 ILE A 62 -5.612 8.201 7.294 1.00 22.00 C ATOM 967 CD1 ILE A 62 -4.765 7.085 4.619 1.00 30.23 C ATOM 0 H ILE A 62 -5.479 4.221 7.027 1.00 54.02 H new ATOM 0 HA ILE A 62 -3.651 6.439 7.447 1.00 41.23 H new ATOM 0 HB ILE A 62 -6.621 6.283 7.479 1.00 54.52 H new ATOM 0 HG12 ILE A 62 -5.787 5.360 5.352 1.00 62.52 H new ATOM 0 HG13 ILE A 62 -6.801 6.780 5.185 1.00 62.52 H new ATOM 0 HG21 ILE A 62 -6.425 8.711 6.778 1.00 22.00 H new ATOM 0 HG22 ILE A 62 -5.683 8.396 8.364 1.00 22.00 H new ATOM 0 HG23 ILE A 62 -4.657 8.571 6.921 1.00 22.00 H new ATOM 0 HD11 ILE A 62 -4.961 6.823 3.579 1.00 30.23 H new ATOM 0 HD12 ILE A 62 -4.805 8.168 4.734 1.00 30.23 H new ATOM 0 HD13 ILE A 62 -3.776 6.726 4.903 1.00 30.23 H new ATOM 979 N ALA A 63 -5.756 5.444 9.862 1.00 71.32 N ATOM 980 CA ALA A 63 -5.951 5.345 11.303 1.00 0.43 C ATOM 981 C ALA A 63 -5.243 4.126 11.888 1.00 51.10 C ATOM 982 O ALA A 63 -4.410 4.256 12.784 1.00 5.21 O ATOM 983 CB ALA A 63 -7.444 5.290 11.632 1.00 52.21 C ATOM 0 H ALA A 63 -6.530 5.060 9.320 1.00 71.32 H new ATOM 0 HA ALA A 63 -5.512 6.234 11.756 1.00 0.43 H new ATOM 0 HB1 ALA A 63 -7.576 5.216 12.711 1.00 52.21 H new ATOM 0 HB2 ALA A 63 -7.930 6.195 11.268 1.00 52.21 H new ATOM 0 HB3 ALA A 63 -7.891 4.420 11.151 1.00 52.21 H new ATOM 989 N SER A 64 -5.636 2.940 11.434 1.00 31.54 N ATOM 990 CA SER A 64 -5.321 1.678 12.074 1.00 64.23 C ATOM 991 C SER A 64 -3.898 1.246 11.715 1.00 63.12 C ATOM 992 O SER A 64 -3.302 1.744 10.750 1.00 74.44 O ATOM 993 CB SER A 64 -6.397 0.678 11.628 1.00 43.40 C ATOM 994 OG SER A 64 -6.924 -0.068 12.706 1.00 12.03 O ATOM 0 H SER A 64 -6.197 2.833 10.589 1.00 31.54 H new ATOM 0 HA SER A 64 -5.334 1.749 13.162 1.00 64.23 H new ATOM 0 HB2 SER A 64 -7.206 1.216 11.133 1.00 43.40 H new ATOM 0 HB3 SER A 64 -5.971 -0.004 10.892 1.00 43.40 H new ATOM 0 HG SER A 64 -7.605 -0.688 12.372 1.00 12.03 H new ATOM 1000 N ARG A 65 -3.338 0.288 12.463 1.00 52.25 N ATOM 1001 CA ARG A 65 -2.115 -0.397 12.056 1.00 53.01 C ATOM 1002 C ARG A 65 -2.111 -1.893 12.404 1.00 63.40 C ATOM 1003 O ARG A 65 -1.092 -2.399 12.874 1.00 54.20 O ATOM 1004 CB ARG A 65 -0.922 0.366 12.661 1.00 73.55 C ATOM 1005 CG ARG A 65 -0.917 0.506 14.196 1.00 51.51 C ATOM 1006 CD ARG A 65 0.056 -0.474 14.865 1.00 1.31 C ATOM 1007 NE ARG A 65 0.433 -0.019 16.213 1.00 0.41 N ATOM 1008 CZ ARG A 65 1.277 0.984 16.480 1.00 4.33 C ATOM 1009 NH1 ARG A 65 1.899 1.615 15.488 1.00 72.01 N ATOM 1010 NH2 ARG A 65 1.471 1.373 17.735 1.00 14.31 N ATOM 0 H ARG A 65 -3.717 -0.028 13.356 1.00 52.25 H new ATOM 0 HA ARG A 65 -2.042 -0.386 10.969 1.00 53.01 H new ATOM 0 HB2 ARG A 65 -0.004 -0.137 12.359 1.00 73.55 H new ATOM 0 HB3 ARG A 65 -0.896 1.365 12.225 1.00 73.55 H new ATOM 0 HG2 ARG A 65 -0.644 1.526 14.465 1.00 51.51 H new ATOM 0 HG3 ARG A 65 -1.923 0.334 14.578 1.00 51.51 H new ATOM 0 HD2 ARG A 65 -0.404 -1.460 14.927 1.00 1.31 H new ATOM 0 HD3 ARG A 65 0.950 -0.578 14.251 1.00 1.31 H new ATOM 0 HE ARG A 65 0.018 -0.507 17.007 1.00 0.41 H new ATOM 0 HH11 ARG A 65 1.733 1.334 14.522 1.00 72.01 H new ATOM 0 HH12 ARG A 65 2.542 2.380 15.694 1.00 72.01 H new ATOM 0 HH21 ARG A 65 0.976 0.907 18.496 1.00 14.31 H new ATOM 0 HH22 ARG A 65 2.115 2.138 17.938 1.00 14.31 H new ATOM 1024 N PRO A 66 -3.131 -2.684 12.034 1.00 42.24 N ATOM 1025 CA PRO A 66 -3.054 -4.126 12.156 1.00 61.31 C ATOM 1026 C PRO A 66 -2.269 -4.676 10.962 1.00 72.23 C ATOM 1027 O PRO A 66 -1.236 -5.332 11.128 1.00 34.20 O ATOM 1028 CB PRO A 66 -4.508 -4.593 12.219 1.00 11.21 C ATOM 1029 CG PRO A 66 -5.255 -3.572 11.358 1.00 22.14 C ATOM 1030 CD PRO A 66 -4.454 -2.289 11.575 1.00 74.35 C ATOM 0 HA PRO A 66 -2.525 -4.481 13.041 1.00 61.31 H new ATOM 0 HB2 PRO A 66 -4.621 -5.605 11.829 1.00 11.21 H new ATOM 0 HB3 PRO A 66 -4.881 -4.603 13.243 1.00 11.21 H new ATOM 0 HG2 PRO A 66 -5.272 -3.865 10.308 1.00 22.14 H new ATOM 0 HG3 PRO A 66 -6.292 -3.459 11.674 1.00 22.14 H new ATOM 0 HD2 PRO A 66 -4.386 -1.716 10.650 1.00 74.35 H new ATOM 0 HD3 PRO A 66 -4.942 -1.650 12.311 1.00 74.35 H new ATOM 1038 N ALA A 67 -2.721 -4.337 9.750 1.00 71.23 N ATOM 1039 CA ALA A 67 -2.178 -4.790 8.481 1.00 25.33 C ATOM 1040 C ALA A 67 -0.776 -4.261 8.209 1.00 1.02 C ATOM 1041 O ALA A 67 -0.111 -4.771 7.318 1.00 10.10 O ATOM 1042 CB ALA A 67 -3.120 -4.366 7.357 1.00 1.42 C ATOM 0 H ALA A 67 -3.515 -3.708 9.630 1.00 71.23 H new ATOM 0 HA ALA A 67 -2.097 -5.876 8.529 1.00 25.33 H new ATOM 0 HB1 ALA A 67 -2.720 -4.702 6.401 1.00 1.42 H new ATOM 0 HB2 ALA A 67 -4.101 -4.813 7.517 1.00 1.42 H new ATOM 0 HB3 ALA A 67 -3.212 -3.280 7.350 1.00 1.42 H new ATOM 1048 N THR A 68 -0.289 -3.292 8.979 1.00 71.54 N ATOM 1049 CA THR A 68 1.092 -2.837 8.917 1.00 52.13 C ATOM 1050 C THR A 68 2.067 -4.010 9.173 1.00 12.35 C ATOM 1051 O THR A 68 3.081 -4.142 8.479 1.00 34.11 O ATOM 1052 CB THR A 68 1.209 -1.657 9.892 1.00 52.11 C ATOM 1053 OG1 THR A 68 0.344 -0.609 9.467 1.00 64.45 O ATOM 1054 CG2 THR A 68 2.618 -1.078 9.966 1.00 53.01 C ATOM 0 H THR A 68 -0.851 -2.796 9.671 1.00 71.54 H new ATOM 0 HA THR A 68 1.377 -2.482 7.927 1.00 52.13 H new ATOM 0 HB THR A 68 0.942 -2.043 10.876 1.00 52.11 H new ATOM 0 HG1 THR A 68 0.415 0.146 10.088 1.00 64.45 H new ATOM 0 HG21 THR A 68 2.634 -0.248 10.672 1.00 53.01 H new ATOM 0 HG22 THR A 68 3.312 -1.850 10.299 1.00 53.01 H new ATOM 0 HG23 THR A 68 2.917 -0.722 8.980 1.00 53.01 H new ATOM 1062 N VAL A 69 1.713 -4.939 10.071 1.00 72.21 N ATOM 1063 CA VAL A 69 2.441 -6.196 10.234 1.00 72.42 C ATOM 1064 C VAL A 69 2.371 -6.993 8.927 1.00 22.43 C ATOM 1065 O VAL A 69 3.369 -7.533 8.450 1.00 13.44 O ATOM 1066 CB VAL A 69 1.848 -7.011 11.404 1.00 21.10 C ATOM 1067 CG1 VAL A 69 2.657 -8.299 11.652 1.00 72.23 C ATOM 1068 CG2 VAL A 69 1.774 -6.196 12.706 1.00 14.24 C ATOM 0 H VAL A 69 0.917 -4.837 10.700 1.00 72.21 H new ATOM 0 HA VAL A 69 3.485 -5.985 10.467 1.00 72.42 H new ATOM 0 HB VAL A 69 0.832 -7.273 11.109 1.00 21.10 H new ATOM 0 HG11 VAL A 69 2.216 -8.852 12.481 1.00 72.23 H new ATOM 0 HG12 VAL A 69 2.641 -8.917 10.754 1.00 72.23 H new ATOM 0 HG13 VAL A 69 3.687 -8.040 11.896 1.00 72.23 H new ATOM 0 HG21 VAL A 69 1.350 -6.813 13.498 1.00 14.24 H new ATOM 0 HG22 VAL A 69 2.776 -5.876 12.992 1.00 14.24 H new ATOM 0 HG23 VAL A 69 1.143 -5.320 12.552 1.00 14.24 H new ATOM 1078 N LYS A 70 1.174 -7.104 8.355 1.00 72.12 N ATOM 1079 CA LYS A 70 0.916 -7.986 7.234 1.00 14.33 C ATOM 1080 C LYS A 70 1.624 -7.512 5.960 1.00 45.20 C ATOM 1081 O LYS A 70 2.156 -8.344 5.231 1.00 42.23 O ATOM 1082 CB LYS A 70 -0.601 -8.170 7.107 1.00 33.41 C ATOM 1083 CG LYS A 70 -0.949 -9.461 6.355 1.00 1.02 C ATOM 1084 CD LYS A 70 -2.257 -10.084 6.874 1.00 43.33 C ATOM 1085 CE LYS A 70 -2.378 -11.549 6.462 1.00 54.23 C ATOM 1086 NZ LYS A 70 -1.575 -12.491 7.273 1.00 32.22 N ATOM 0 H LYS A 70 0.355 -6.579 8.663 1.00 72.12 H new ATOM 0 HA LYS A 70 1.348 -8.972 7.408 1.00 14.33 H new ATOM 0 HB2 LYS A 70 -1.050 -8.194 8.100 1.00 33.41 H new ATOM 0 HB3 LYS A 70 -1.030 -7.316 6.583 1.00 33.41 H new ATOM 0 HG2 LYS A 70 -1.044 -9.248 5.290 1.00 1.02 H new ATOM 0 HG3 LYS A 70 -0.135 -10.178 6.465 1.00 1.02 H new ATOM 0 HD2 LYS A 70 -2.293 -10.006 7.961 1.00 43.33 H new ATOM 0 HD3 LYS A 70 -3.108 -9.524 6.486 1.00 43.33 H new ATOM 0 HE2 LYS A 70 -3.426 -11.843 6.521 1.00 54.23 H new ATOM 0 HE3 LYS A 70 -2.079 -11.644 5.418 1.00 54.23 H new ATOM 0 HZ1 LYS A 70 -1.718 -13.460 6.923 1.00 32.22 H new ATOM 0 HZ2 LYS A 70 -0.568 -12.242 7.199 1.00 32.22 H new ATOM 0 HZ3 LYS A 70 -1.873 -12.434 8.268 1.00 32.22 H new ATOM 1100 N LEU A 71 1.767 -6.195 5.750 1.00 12.25 N ATOM 1101 CA LEU A 71 2.605 -5.637 4.683 1.00 1.35 C ATOM 1102 C LEU A 71 4.026 -6.175 4.802 1.00 20.01 C ATOM 1103 O LEU A 71 4.626 -6.578 3.810 1.00 15.14 O ATOM 1104 CB LEU A 71 2.712 -4.100 4.746 1.00 2.04 C ATOM 1105 CG LEU A 71 1.425 -3.302 4.561 1.00 63.15 C ATOM 1106 CD1 LEU A 71 1.725 -1.834 4.887 1.00 70.20 C ATOM 1107 CD2 LEU A 71 0.777 -3.354 3.186 1.00 15.55 C ATOM 0 H LEU A 71 1.303 -5.486 6.318 1.00 12.25 H new ATOM 0 HA LEU A 71 2.129 -5.928 3.747 1.00 1.35 H new ATOM 0 HB2 LEU A 71 3.140 -3.831 5.712 1.00 2.04 H new ATOM 0 HB3 LEU A 71 3.421 -3.779 3.982 1.00 2.04 H new ATOM 0 HG LEU A 71 0.705 -3.772 5.231 1.00 63.15 H new ATOM 0 HD11 LEU A 71 0.819 -1.241 4.762 1.00 70.20 H new ATOM 0 HD12 LEU A 71 2.072 -1.754 5.917 1.00 70.20 H new ATOM 0 HD13 LEU A 71 2.498 -1.462 4.214 1.00 70.20 H new ATOM 0 HD21 LEU A 71 -0.128 -2.746 3.187 1.00 15.55 H new ATOM 0 HD22 LEU A 71 1.473 -2.968 2.441 1.00 15.55 H new ATOM 0 HD23 LEU A 71 0.521 -4.385 2.943 1.00 15.55 H new ATOM 1119 N THR A 72 4.581 -6.151 6.014 1.00 72.11 N ATOM 1120 CA THR A 72 5.980 -6.442 6.267 1.00 23.21 C ATOM 1121 C THR A 72 6.333 -7.858 5.802 1.00 73.41 C ATOM 1122 O THR A 72 7.431 -8.092 5.297 1.00 0.10 O ATOM 1123 CB THR A 72 6.254 -6.208 7.759 1.00 12.42 C ATOM 1124 OG1 THR A 72 5.946 -4.860 8.097 1.00 21.41 O ATOM 1125 CG2 THR A 72 7.710 -6.501 8.094 1.00 31.31 C ATOM 0 H THR A 72 4.056 -5.924 6.858 1.00 72.11 H new ATOM 0 HA THR A 72 6.625 -5.777 5.693 1.00 23.21 H new ATOM 0 HB THR A 72 5.624 -6.884 8.337 1.00 12.42 H new ATOM 0 HG1 THR A 72 4.976 -4.760 8.191 1.00 21.41 H new ATOM 0 HG21 THR A 72 7.881 -6.328 9.157 1.00 31.31 H new ATOM 0 HG22 THR A 72 7.937 -7.540 7.854 1.00 31.31 H new ATOM 0 HG23 THR A 72 8.357 -5.845 7.511 1.00 31.31 H new ATOM 1133 N ARG A 73 5.384 -8.792 5.887 1.00 65.41 N ATOM 1134 CA ARG A 73 5.548 -10.164 5.410 1.00 41.41 C ATOM 1135 C ARG A 73 5.958 -10.232 3.936 1.00 51.11 C ATOM 1136 O ARG A 73 6.680 -11.152 3.549 1.00 52.04 O ATOM 1137 CB ARG A 73 4.244 -10.951 5.604 1.00 51.10 C ATOM 1138 CG ARG A 73 3.703 -10.939 7.047 1.00 2.41 C ATOM 1139 CD ARG A 73 3.516 -12.312 7.696 1.00 1.34 C ATOM 1140 NE ARG A 73 4.743 -13.132 7.668 1.00 75.33 N ATOM 1141 CZ ARG A 73 4.979 -14.193 6.877 1.00 20.20 C ATOM 1142 NH1 ARG A 73 4.133 -14.568 5.922 1.00 13.54 N ATOM 1143 NH2 ARG A 73 6.083 -14.901 7.058 1.00 42.33 N ATOM 0 H ARG A 73 4.467 -8.613 6.295 1.00 65.41 H new ATOM 0 HA ARG A 73 6.351 -10.606 6.000 1.00 41.41 H new ATOM 0 HB2 ARG A 73 3.483 -10.540 4.940 1.00 51.10 H new ATOM 0 HB3 ARG A 73 4.409 -11.984 5.299 1.00 51.10 H new ATOM 0 HG2 ARG A 73 4.384 -10.354 7.666 1.00 2.41 H new ATOM 0 HG3 ARG A 73 2.744 -10.421 7.052 1.00 2.41 H new ATOM 0 HD2 ARG A 73 3.197 -12.179 8.730 1.00 1.34 H new ATOM 0 HD3 ARG A 73 2.717 -12.846 7.182 1.00 1.34 H new ATOM 0 HE ARG A 73 5.487 -12.867 8.314 1.00 75.33 H new ATOM 0 HH11 ARG A 73 3.271 -14.045 5.770 1.00 13.54 H new ATOM 0 HH12 ARG A 73 4.346 -15.379 5.341 1.00 13.54 H new ATOM 0 HH21 ARG A 73 6.742 -14.639 7.791 1.00 42.33 H new ATOM 0 HH22 ARG A 73 6.274 -15.708 6.465 1.00 42.33 H new ATOM 1157 N SER A 74 5.527 -9.271 3.124 1.00 63.12 N ATOM 1158 CA SER A 74 5.812 -9.159 1.699 1.00 73.03 C ATOM 1159 C SER A 74 6.943 -8.159 1.432 1.00 62.14 C ATOM 1160 O SER A 74 7.283 -7.923 0.279 1.00 44.45 O ATOM 1161 CB SER A 74 4.485 -8.773 1.042 1.00 73.14 C ATOM 1162 OG SER A 74 4.523 -8.500 -0.349 1.00 23.44 O ATOM 0 H SER A 74 4.938 -8.510 3.462 1.00 63.12 H new ATOM 0 HA SER A 74 6.179 -10.094 1.276 1.00 73.03 H new ATOM 0 HB2 SER A 74 3.773 -9.580 1.212 1.00 73.14 H new ATOM 0 HB3 SER A 74 4.095 -7.892 1.552 1.00 73.14 H new ATOM 0 HG SER A 74 5.435 -8.253 -0.609 1.00 23.44 H new ATOM 1168 N ILE A 75 7.564 -7.591 2.469 1.00 52.14 N ATOM 1169 CA ILE A 75 8.742 -6.747 2.348 1.00 71.44 C ATOM 1170 C ILE A 75 9.908 -7.573 2.929 1.00 63.20 C ATOM 1171 O ILE A 75 10.231 -7.433 4.115 1.00 4.20 O ATOM 1172 CB ILE A 75 8.502 -5.367 2.996 1.00 52.12 C ATOM 1173 CG1 ILE A 75 7.276 -4.652 2.367 1.00 11.24 C ATOM 1174 CG2 ILE A 75 9.738 -4.480 2.767 1.00 43.21 C ATOM 1175 CD1 ILE A 75 6.796 -3.467 3.204 1.00 1.22 C ATOM 0 H ILE A 75 7.251 -7.711 3.432 1.00 52.14 H new ATOM 0 HA ILE A 75 8.987 -6.487 1.318 1.00 71.44 H new ATOM 0 HB ILE A 75 8.317 -5.523 4.059 1.00 52.12 H new ATOM 0 HG12 ILE A 75 7.536 -4.305 1.367 1.00 11.24 H new ATOM 0 HG13 ILE A 75 6.461 -5.367 2.254 1.00 11.24 H new ATOM 0 HG21 ILE A 75 9.574 -3.503 3.223 1.00 43.21 H new ATOM 0 HG22 ILE A 75 10.612 -4.950 3.219 1.00 43.21 H new ATOM 0 HG23 ILE A 75 9.905 -4.358 1.697 1.00 43.21 H new ATOM 0 HD11 ILE A 75 5.937 -3.003 2.719 1.00 1.22 H new ATOM 0 HD12 ILE A 75 6.508 -3.815 4.196 1.00 1.22 H new ATOM 0 HD13 ILE A 75 7.600 -2.736 3.295 1.00 1.22 H new ATOM 1187 N PRO A 76 10.513 -8.477 2.131 1.00 11.34 N ATOM 1188 CA PRO A 76 11.744 -9.184 2.469 1.00 43.24 C ATOM 1189 C PRO A 76 12.918 -8.195 2.543 1.00 32.34 C ATOM 1190 O PRO A 76 12.782 -7.032 2.155 1.00 33.43 O ATOM 1191 CB PRO A 76 11.926 -10.193 1.325 1.00 22.33 C ATOM 1192 CG PRO A 76 11.379 -9.439 0.132 1.00 74.23 C ATOM 1193 CD PRO A 76 10.139 -8.817 0.767 1.00 23.14 C ATOM 0 HA PRO A 76 11.703 -9.677 3.440 1.00 43.24 H new ATOM 0 HB2 PRO A 76 12.972 -10.466 1.187 1.00 22.33 H new ATOM 0 HB3 PRO A 76 11.377 -11.117 1.508 1.00 22.33 H new ATOM 0 HG2 PRO A 76 12.076 -8.690 -0.245 1.00 74.23 H new ATOM 0 HG3 PRO A 76 11.136 -10.097 -0.703 1.00 74.23 H new ATOM 0 HD2 PRO A 76 9.822 -7.931 0.217 1.00 23.14 H new ATOM 0 HD3 PRO A 76 9.302 -9.516 0.755 1.00 23.14 H new ATOM 1201 N ALA A 77 14.086 -8.664 2.990 1.00 61.13 N ATOM 1202 CA ALA A 77 15.299 -7.873 3.162 1.00 22.44 C ATOM 1203 C ALA A 77 15.683 -7.082 1.906 1.00 51.31 C ATOM 1204 O ALA A 77 15.911 -5.879 2.040 1.00 61.04 O ATOM 1205 CB ALA A 77 16.454 -8.753 3.637 1.00 20.45 C ATOM 0 H ALA A 77 14.213 -9.642 3.251 1.00 61.13 H new ATOM 0 HA ALA A 77 15.084 -7.132 3.932 1.00 22.44 H new ATOM 0 HB1 ALA A 77 17.349 -8.144 3.759 1.00 20.45 H new ATOM 0 HB2 ALA A 77 16.194 -9.211 4.591 1.00 20.45 H new ATOM 0 HB3 ALA A 77 16.644 -9.533 2.900 1.00 20.45 H new ATOM 1211 N PRO A 78 15.728 -7.679 0.698 1.00 62.12 N ATOM 1212 CA PRO A 78 16.000 -6.937 -0.531 1.00 53.05 C ATOM 1213 C PRO A 78 15.052 -5.747 -0.728 1.00 5.25 C ATOM 1214 O PRO A 78 15.495 -4.691 -1.176 1.00 73.43 O ATOM 1215 CB PRO A 78 15.929 -7.959 -1.682 1.00 21.13 C ATOM 1216 CG PRO A 78 15.201 -9.154 -1.063 1.00 3.14 C ATOM 1217 CD PRO A 78 15.649 -9.099 0.385 1.00 44.22 C ATOM 0 HA PRO A 78 16.988 -6.478 -0.491 1.00 53.05 H new ATOM 0 HB2 PRO A 78 15.386 -7.560 -2.539 1.00 21.13 H new ATOM 0 HB3 PRO A 78 16.923 -8.235 -2.034 1.00 21.13 H new ATOM 0 HG2 PRO A 78 14.119 -9.062 -1.156 1.00 3.14 H new ATOM 0 HG3 PRO A 78 15.484 -10.093 -1.540 1.00 3.14 H new ATOM 0 HD2 PRO A 78 14.940 -9.609 1.038 1.00 44.22 H new ATOM 0 HD3 PRO A 78 16.614 -9.588 0.519 1.00 44.22 H new ATOM 1225 N TYR A 79 13.788 -5.846 -0.308 1.00 44.21 N ATOM 1226 CA TYR A 79 12.768 -4.859 -0.648 1.00 23.15 C ATOM 1227 C TYR A 79 12.546 -3.825 0.460 1.00 24.21 C ATOM 1228 O TYR A 79 11.625 -3.008 0.413 1.00 50.20 O ATOM 1229 CB TYR A 79 11.481 -5.582 -1.056 1.00 34.40 C ATOM 1230 CG TYR A 79 11.607 -6.431 -2.314 1.00 63.44 C ATOM 1231 CD1 TYR A 79 12.450 -6.003 -3.358 1.00 52.24 C ATOM 1232 CD2 TYR A 79 10.831 -7.594 -2.506 1.00 74.44 C ATOM 1233 CE1 TYR A 79 12.483 -6.673 -4.583 1.00 63.24 C ATOM 1234 CE2 TYR A 79 10.905 -8.311 -3.714 1.00 52.22 C ATOM 1235 CZ TYR A 79 11.753 -7.873 -4.752 1.00 53.13 C ATOM 1236 OH TYR A 79 11.830 -8.588 -5.906 1.00 53.52 O ATOM 0 H TYR A 79 13.447 -6.611 0.275 1.00 44.21 H new ATOM 0 HA TYR A 79 13.121 -4.276 -1.498 1.00 23.15 H new ATOM 0 HB2 TYR A 79 11.161 -6.220 -0.232 1.00 34.40 H new ATOM 0 HB3 TYR A 79 10.696 -4.842 -1.209 1.00 34.40 H new ATOM 0 HD1 TYR A 79 13.083 -5.141 -3.208 1.00 52.24 H new ATOM 0 HD2 TYR A 79 10.175 -7.936 -1.719 1.00 74.44 H new ATOM 0 HE1 TYR A 79 13.066 -6.275 -5.401 1.00 63.24 H new ATOM 0 HE2 TYR A 79 10.309 -9.202 -3.847 1.00 52.22 H new ATOM 0 HH TYR A 79 11.260 -9.382 -5.837 1.00 53.52 H new ATOM 1246 N LYS A 80 13.397 -3.840 1.479 1.00 34.33 N ATOM 1247 CA LYS A 80 13.263 -2.960 2.632 1.00 31.34 C ATOM 1248 C LYS A 80 13.322 -1.502 2.241 1.00 62.21 C ATOM 1249 O LYS A 80 12.382 -0.767 2.527 1.00 23.14 O ATOM 1250 CB LYS A 80 14.333 -3.285 3.681 1.00 72.50 C ATOM 1251 CG LYS A 80 14.030 -4.595 4.406 1.00 63.33 C ATOM 1252 CD LYS A 80 12.781 -4.440 5.270 1.00 11.12 C ATOM 1253 CE LYS A 80 12.552 -5.686 6.109 1.00 50.42 C ATOM 1254 NZ LYS A 80 11.691 -5.365 7.261 1.00 54.23 N ATOM 0 H LYS A 80 14.202 -4.465 1.528 1.00 34.33 H new ATOM 0 HA LYS A 80 12.279 -3.137 3.067 1.00 31.34 H new ATOM 0 HB2 LYS A 80 15.308 -3.353 3.198 1.00 72.50 H new ATOM 0 HB3 LYS A 80 14.392 -2.473 4.405 1.00 72.50 H new ATOM 0 HG2 LYS A 80 13.883 -5.395 3.681 1.00 63.33 H new ATOM 0 HG3 LYS A 80 14.879 -4.880 5.028 1.00 63.33 H new ATOM 0 HD2 LYS A 80 12.888 -3.572 5.920 1.00 11.12 H new ATOM 0 HD3 LYS A 80 11.914 -4.258 4.635 1.00 11.12 H new ATOM 0 HE2 LYS A 80 12.087 -6.463 5.502 1.00 50.42 H new ATOM 0 HE3 LYS A 80 13.507 -6.081 6.457 1.00 50.42 H new ATOM 0 HZ1 LYS A 80 11.539 -6.222 7.830 1.00 54.23 H new ATOM 0 HZ2 LYS A 80 12.150 -4.638 7.846 1.00 54.23 H new ATOM 0 HZ3 LYS A 80 10.775 -5.008 6.921 1.00 54.23 H new ATOM 1268 N GLN A 81 14.411 -1.107 1.596 1.00 4.14 N ATOM 1269 CA GLN A 81 14.767 0.288 1.373 1.00 64.15 C ATOM 1270 C GLN A 81 14.195 0.859 0.071 1.00 3.14 C ATOM 1271 O GLN A 81 14.594 1.952 -0.340 1.00 32.43 O ATOM 1272 CB GLN A 81 16.274 0.515 1.506 1.00 31.02 C ATOM 1273 CG GLN A 81 17.058 -0.616 0.882 1.00 30.43 C ATOM 1274 CD GLN A 81 18.529 -0.277 0.679 1.00 42.42 C ATOM 1275 OE1 GLN A 81 18.901 0.880 0.475 1.00 30.32 O ATOM 1276 NE2 GLN A 81 19.388 -1.277 0.746 1.00 33.12 N ATOM 0 H GLN A 81 15.087 -1.762 1.204 1.00 4.14 H new ATOM 0 HA GLN A 81 14.287 0.858 2.169 1.00 64.15 H new ATOM 0 HB2 GLN A 81 16.546 1.456 1.027 1.00 31.02 H new ATOM 0 HB3 GLN A 81 16.538 0.605 2.560 1.00 31.02 H new ATOM 0 HG2 GLN A 81 16.978 -1.499 1.516 1.00 30.43 H new ATOM 0 HG3 GLN A 81 16.613 -0.872 -0.080 1.00 30.43 H new ATOM 0 HE21 GLN A 81 19.054 -2.226 0.916 1.00 33.12 H new ATOM 0 HE22 GLN A 81 20.386 -1.101 0.628 1.00 33.12 H new ATOM 1285 N LEU A 82 13.268 0.159 -0.595 1.00 73.21 N ATOM 1286 CA LEU A 82 12.712 0.545 -1.899 1.00 32.13 C ATOM 1287 C LEU A 82 11.939 1.869 -1.888 1.00 44.05 C ATOM 1288 O LEU A 82 11.304 2.221 -2.877 1.00 44.55 O ATOM 1289 CB LEU A 82 11.778 -0.527 -2.460 1.00 35.12 C ATOM 1290 CG LEU A 82 12.317 -1.927 -2.758 1.00 72.12 C ATOM 1291 CD1 LEU A 82 11.483 -2.517 -3.891 1.00 60.21 C ATOM 1292 CD2 LEU A 82 13.809 -2.029 -3.074 1.00 2.34 C ATOM 0 H LEU A 82 12.875 -0.711 -0.235 1.00 73.21 H new ATOM 0 HA LEU A 82 13.593 0.665 -2.530 1.00 32.13 H new ATOM 0 HB2 LEU A 82 10.953 -0.640 -1.756 1.00 35.12 H new ATOM 0 HB3 LEU A 82 11.356 -0.138 -3.386 1.00 35.12 H new ATOM 0 HG LEU A 82 12.222 -2.494 -1.832 1.00 72.12 H new ATOM 0 HD11 LEU A 82 11.845 -3.518 -4.126 1.00 60.21 H new ATOM 0 HD12 LEU A 82 10.439 -2.572 -3.584 1.00 60.21 H new ATOM 0 HD13 LEU A 82 11.569 -1.883 -4.774 1.00 60.21 H new ATOM 0 HD21 LEU A 82 14.070 -3.070 -3.267 1.00 2.34 H new ATOM 0 HD22 LEU A 82 14.036 -1.428 -3.955 1.00 2.34 H new ATOM 0 HD23 LEU A 82 14.387 -1.662 -2.226 1.00 2.34 H new ATOM 1304 N LEU A 83 11.963 2.639 -0.807 1.00 20.25 N ATOM 1305 CA LEU A 83 11.528 4.021 -0.839 1.00 51.33 C ATOM 1306 C LEU A 83 12.637 4.916 -1.374 1.00 4.34 C ATOM 1307 O LEU A 83 12.320 5.829 -2.130 1.00 0.25 O ATOM 1308 CB LEU A 83 11.042 4.491 0.535 1.00 44.35 C ATOM 1309 CG LEU A 83 9.519 4.388 0.691 1.00 33.24 C ATOM 1310 CD1 LEU A 83 9.136 4.651 2.147 1.00 45.52 C ATOM 1311 CD2 LEU A 83 8.748 5.371 -0.206 1.00 33.31 C ATOM 0 H LEU A 83 12.283 2.322 0.108 1.00 20.25 H new ATOM 0 HA LEU A 83 10.678 4.091 -1.518 1.00 51.33 H new ATOM 0 HB2 LEU A 83 11.524 3.895 1.310 1.00 44.35 H new ATOM 0 HB3 LEU A 83 11.350 5.525 0.691 1.00 44.35 H new ATOM 0 HG LEU A 83 9.243 3.379 0.384 1.00 33.24 H new ATOM 0 HD11 LEU A 83 8.054 4.578 2.258 1.00 45.52 H new ATOM 0 HD12 LEU A 83 9.617 3.913 2.789 1.00 45.52 H new ATOM 0 HD13 LEU A 83 9.463 5.650 2.435 1.00 45.52 H new ATOM 0 HD21 LEU A 83 7.677 5.246 -0.047 1.00 33.31 H new ATOM 0 HD22 LEU A 83 9.035 6.393 0.043 1.00 33.31 H new ATOM 0 HD23 LEU A 83 8.985 5.172 -1.251 1.00 33.31 H new ATOM 1323 N LYS A 84 13.918 4.649 -1.109 1.00 51.01 N ATOM 1324 CA LYS A 84 14.993 5.554 -1.515 1.00 13.33 C ATOM 1325 C LYS A 84 15.782 4.979 -2.681 1.00 1.24 C ATOM 1326 O LYS A 84 16.175 5.721 -3.577 1.00 44.33 O ATOM 1327 CB LYS A 84 15.903 5.905 -0.334 1.00 45.41 C ATOM 1328 CG LYS A 84 15.175 6.032 1.006 1.00 63.50 C ATOM 1329 CD LYS A 84 15.964 6.895 2.001 1.00 24.54 C ATOM 1330 CE LYS A 84 17.238 6.199 2.485 1.00 64.53 C ATOM 1331 NZ LYS A 84 18.424 7.084 2.451 1.00 74.44 N ATOM 0 H LYS A 84 14.235 3.814 -0.616 1.00 51.01 H new ATOM 0 HA LYS A 84 14.536 6.483 -1.856 1.00 13.33 H new ATOM 0 HB2 LYS A 84 16.674 5.139 -0.244 1.00 45.41 H new ATOM 0 HB3 LYS A 84 16.411 6.845 -0.549 1.00 45.41 H new ATOM 0 HG2 LYS A 84 14.190 6.470 0.845 1.00 63.50 H new ATOM 0 HG3 LYS A 84 15.017 5.040 1.430 1.00 63.50 H new ATOM 0 HD2 LYS A 84 16.226 7.842 1.530 1.00 24.54 H new ATOM 0 HD3 LYS A 84 15.332 7.129 2.858 1.00 24.54 H new ATOM 0 HE2 LYS A 84 17.086 5.841 3.503 1.00 64.53 H new ATOM 0 HE3 LYS A 84 17.426 5.323 1.864 1.00 64.53 H new ATOM 0 HZ1 LYS A 84 19.257 6.561 2.789 1.00 74.44 H new ATOM 0 HZ2 LYS A 84 18.589 7.406 1.476 1.00 74.44 H new ATOM 0 HZ3 LYS A 84 18.260 7.908 3.064 1.00 74.44 H new ATOM 1345 N GLU A 85 15.932 3.658 -2.673 1.00 43.23 N ATOM 1346 CA GLU A 85 16.723 2.843 -3.591 1.00 75.54 C ATOM 1347 C GLU A 85 16.552 3.218 -5.060 1.00 72.33 C ATOM 1348 O GLU A 85 17.548 3.376 -5.763 1.00 2.22 O ATOM 1349 CB GLU A 85 16.284 1.382 -3.379 1.00 63.25 C ATOM 1350 CG GLU A 85 17.384 0.519 -2.786 1.00 14.55 C ATOM 1351 CD GLU A 85 18.080 -0.313 -3.865 1.00 11.12 C ATOM 1352 OE1 GLU A 85 18.944 0.191 -4.612 1.00 33.31 O ATOM 1353 OE2 GLU A 85 17.751 -1.515 -3.963 1.00 63.35 O ATOM 0 H GLU A 85 15.467 3.084 -1.969 1.00 43.23 H new ATOM 0 HA GLU A 85 17.778 3.006 -3.370 1.00 75.54 H new ATOM 0 HB2 GLU A 85 15.416 1.360 -2.720 1.00 63.25 H new ATOM 0 HB3 GLU A 85 15.971 0.959 -4.334 1.00 63.25 H new ATOM 0 HG2 GLU A 85 18.115 1.152 -2.284 1.00 14.55 H new ATOM 0 HG3 GLU A 85 16.962 -0.142 -2.029 1.00 14.55 H new ATOM 1360 N GLU A 86 15.311 3.331 -5.524 1.00 64.45 N ATOM 1361 CA GLU A 86 14.976 3.375 -6.940 1.00 53.14 C ATOM 1362 C GLU A 86 14.163 4.623 -7.292 1.00 13.13 C ATOM 1363 O GLU A 86 14.422 5.284 -8.298 1.00 41.43 O ATOM 1364 CB GLU A 86 14.277 2.062 -7.321 1.00 35.23 C ATOM 1365 CG GLU A 86 13.227 1.472 -6.365 1.00 74.33 C ATOM 1366 CD GLU A 86 12.701 0.134 -6.917 1.00 71.53 C ATOM 1367 OE1 GLU A 86 13.292 -0.925 -6.606 1.00 62.05 O ATOM 1368 OE2 GLU A 86 11.760 0.129 -7.746 1.00 50.22 O ATOM 0 H GLU A 86 14.496 3.396 -4.914 1.00 64.45 H new ATOM 0 HA GLU A 86 15.886 3.459 -7.535 1.00 53.14 H new ATOM 0 HB2 GLU A 86 13.794 2.214 -8.286 1.00 35.23 H new ATOM 0 HB3 GLU A 86 15.050 1.308 -7.467 1.00 35.23 H new ATOM 0 HG2 GLU A 86 13.666 1.320 -5.379 1.00 74.33 H new ATOM 0 HG3 GLU A 86 12.402 2.173 -6.242 1.00 74.33 H new ATOM 1375 N LEU A 87 13.220 4.970 -6.417 1.00 30.15 N ATOM 1376 CA LEU A 87 12.445 6.205 -6.443 1.00 34.14 C ATOM 1377 C LEU A 87 13.324 7.414 -6.127 1.00 33.02 C ATOM 1378 O LEU A 87 13.319 8.378 -6.889 1.00 61.44 O ATOM 1379 CB LEU A 87 11.310 6.199 -5.402 1.00 3.41 C ATOM 1380 CG LEU A 87 10.243 5.100 -5.466 1.00 40.32 C ATOM 1381 CD1 LEU A 87 9.251 5.380 -4.331 1.00 72.53 C ATOM 1382 CD2 LEU A 87 9.509 5.103 -6.797 1.00 1.41 C ATOM 0 H LEU A 87 12.965 4.367 -5.634 1.00 30.15 H new ATOM 0 HA LEU A 87 12.032 6.271 -7.449 1.00 34.14 H new ATOM 0 HB2 LEU A 87 11.770 6.153 -4.415 1.00 3.41 H new ATOM 0 HB3 LEU A 87 10.797 7.159 -5.470 1.00 3.41 H new ATOM 0 HG LEU A 87 10.714 4.122 -5.364 1.00 40.32 H new ATOM 0 HD11 LEU A 87 8.469 4.621 -4.336 1.00 72.53 H new ATOM 0 HD12 LEU A 87 9.775 5.355 -3.376 1.00 72.53 H new ATOM 0 HD13 LEU A 87 8.803 6.363 -4.474 1.00 72.53 H new ATOM 0 HD21 LEU A 87 8.762 4.310 -6.802 1.00 1.41 H new ATOM 0 HD22 LEU A 87 9.018 6.065 -6.939 1.00 1.41 H new ATOM 0 HD23 LEU A 87 10.221 4.936 -7.605 1.00 1.41 H new ATOM 1394 N GLY A 88 13.976 7.408 -4.955 1.00 50.13 N ATOM 1395 CA GLY A 88 14.719 8.539 -4.408 1.00 63.00 C ATOM 1396 C GLY A 88 14.041 9.258 -3.231 1.00 12.12 C ATOM 1397 O GLY A 88 14.323 10.444 -3.045 1.00 11.11 O ATOM 0 H GLY A 88 13.998 6.589 -4.348 1.00 50.13 H new ATOM 0 HA2 GLY A 88 15.698 8.187 -4.083 1.00 63.00 H new ATOM 0 HA3 GLY A 88 14.889 9.262 -5.206 1.00 63.00 H new ATOM 1401 N PHE A 89 13.118 8.638 -2.475 1.00 74.11 N ATOM 1402 CA PHE A 89 12.502 9.287 -1.304 1.00 24.12 C ATOM 1403 C PHE A 89 13.521 9.402 -0.162 1.00 5.55 C ATOM 1404 O PHE A 89 14.579 8.781 -0.222 1.00 61.43 O ATOM 1405 CB PHE A 89 11.250 8.491 -0.883 1.00 75.30 C ATOM 1406 CG PHE A 89 10.415 9.013 0.274 1.00 23.31 C ATOM 1407 CD1 PHE A 89 9.486 10.050 0.080 1.00 51.13 C ATOM 1408 CD2 PHE A 89 10.524 8.411 1.543 1.00 72.11 C ATOM 1409 CE1 PHE A 89 8.685 10.494 1.150 1.00 2.41 C ATOM 1410 CE2 PHE A 89 9.704 8.832 2.602 1.00 44.35 C ATOM 1411 CZ PHE A 89 8.789 9.879 2.408 1.00 74.52 C ATOM 0 H PHE A 89 12.783 7.691 -2.653 1.00 74.11 H new ATOM 0 HA PHE A 89 12.192 10.300 -1.560 1.00 24.12 H new ATOM 0 HB2 PHE A 89 10.599 8.413 -1.753 1.00 75.30 H new ATOM 0 HB3 PHE A 89 11.569 7.479 -0.632 1.00 75.30 H new ATOM 0 HD1 PHE A 89 9.386 10.508 -0.893 1.00 51.13 H new ATOM 0 HD2 PHE A 89 11.243 7.621 1.702 1.00 72.11 H new ATOM 0 HE1 PHE A 89 7.990 11.308 1.003 1.00 2.41 H new ATOM 0 HE2 PHE A 89 9.777 8.350 3.566 1.00 44.35 H new ATOM 0 HZ PHE A 89 8.166 10.211 3.225 1.00 74.52 H new ATOM 1421 N ALA A 90 13.217 10.151 0.904 1.00 64.05 N ATOM 1422 CA ALA A 90 13.961 10.123 2.160 1.00 73.13 C ATOM 1423 C ALA A 90 12.981 10.033 3.327 1.00 70.45 C ATOM 1424 O ALA A 90 12.791 8.948 3.878 1.00 51.51 O ATOM 1425 CB ALA A 90 14.912 11.316 2.264 1.00 62.34 C ATOM 0 H ALA A 90 12.433 10.803 0.914 1.00 64.05 H new ATOM 0 HA ALA A 90 14.595 9.237 2.193 1.00 73.13 H new ATOM 0 HB1 ALA A 90 15.453 11.269 3.209 1.00 62.34 H new ATOM 0 HB2 ALA A 90 15.622 11.288 1.438 1.00 62.34 H new ATOM 0 HB3 ALA A 90 14.340 12.243 2.219 1.00 62.34 H new ATOM 1431 N GLY A 91 12.325 11.134 3.695 1.00 42.23 N ATOM 1432 CA GLY A 91 11.332 11.150 4.758 1.00 74.32 C ATOM 1433 C GLY A 91 10.890 12.569 5.065 1.00 13.00 C ATOM 1434 O GLY A 91 11.697 13.492 4.985 1.00 25.31 O ATOM 0 H GLY A 91 12.472 12.044 3.258 1.00 42.23 H new ATOM 0 HA2 GLY A 91 10.469 10.552 4.464 1.00 74.32 H new ATOM 0 HA3 GLY A 91 11.747 10.692 5.656 1.00 74.32 H new ATOM 1438 N TYR A 92 9.617 12.716 5.433 1.00 24.51 N ATOM 1439 CA TYR A 92 8.908 13.987 5.508 1.00 53.22 C ATOM 1440 C TYR A 92 9.588 14.977 6.459 1.00 3.14 C ATOM 1441 O TYR A 92 9.949 14.603 7.583 1.00 61.24 O ATOM 1442 CB TYR A 92 7.460 13.715 5.942 1.00 20.42 C ATOM 1443 CG TYR A 92 6.709 12.781 5.007 1.00 62.12 C ATOM 1444 CD1 TYR A 92 6.225 13.273 3.779 1.00 35.45 C ATOM 1445 CD2 TYR A 92 6.510 11.424 5.342 1.00 52.34 C ATOM 1446 CE1 TYR A 92 5.526 12.428 2.900 1.00 52.42 C ATOM 1447 CE2 TYR A 92 5.809 10.580 4.463 1.00 63.34 C ATOM 1448 CZ TYR A 92 5.308 11.076 3.238 1.00 72.12 C ATOM 1449 OH TYR A 92 4.614 10.263 2.393 1.00 53.32 O ATOM 0 H TYR A 92 9.033 11.922 5.696 1.00 24.51 H new ATOM 0 HA TYR A 92 8.922 14.453 4.523 1.00 53.22 H new ATOM 0 HB2 TYR A 92 7.465 13.286 6.944 1.00 20.42 H new ATOM 0 HB3 TYR A 92 6.924 14.662 6.003 1.00 20.42 H new ATOM 0 HD1 TYR A 92 6.392 14.306 3.511 1.00 35.45 H new ATOM 0 HD2 TYR A 92 6.896 11.035 6.273 1.00 52.34 H new ATOM 0 HE1 TYR A 92 5.155 12.815 1.963 1.00 52.42 H new ATOM 0 HE2 TYR A 92 5.652 9.544 4.726 1.00 63.34 H new ATOM 0 HH TYR A 92 3.956 9.746 2.903 1.00 53.32 H new ATOM 1459 N SER A 93 9.721 16.232 6.020 1.00 53.21 N ATOM 1460 CA SER A 93 10.206 17.341 6.828 1.00 70.11 C ATOM 1461 C SER A 93 9.244 17.653 7.972 1.00 32.52 C ATOM 1462 O SER A 93 8.060 17.323 7.919 1.00 25.34 O ATOM 1463 CB SER A 93 10.297 18.604 5.971 1.00 75.04 C ATOM 1464 OG SER A 93 11.058 18.441 4.789 1.00 61.51 O ATOM 0 H SER A 93 9.486 16.506 5.066 1.00 53.21 H new ATOM 0 HA SER A 93 11.180 17.052 7.223 1.00 70.11 H new ATOM 0 HB2 SER A 93 9.290 18.922 5.702 1.00 75.04 H new ATOM 0 HB3 SER A 93 10.736 19.405 6.567 1.00 75.04 H new ATOM 0 HG SER A 93 11.073 19.285 4.290 1.00 61.51 H new ATOM 1470 N ILE A 94 9.726 18.399 8.964 1.00 22.41 N ATOM 1471 CA ILE A 94 8.920 18.856 10.093 1.00 72.41 C ATOM 1472 C ILE A 94 7.715 19.688 9.648 1.00 41.01 C ATOM 1473 O ILE A 94 6.595 19.485 10.123 1.00 2.33 O ATOM 1474 CB ILE A 94 9.791 19.570 11.137 1.00 24.01 C ATOM 1475 CG1 ILE A 94 8.967 19.997 12.369 1.00 62.41 C ATOM 1476 CG2 ILE A 94 10.525 20.789 10.558 1.00 31.25 C ATOM 1477 CD1 ILE A 94 8.374 18.820 13.154 1.00 73.23 C ATOM 0 H ILE A 94 10.698 18.706 9.006 1.00 22.41 H new ATOM 0 HA ILE A 94 8.500 17.975 10.579 1.00 72.41 H new ATOM 0 HB ILE A 94 10.541 18.842 11.447 1.00 24.01 H new ATOM 0 HG12 ILE A 94 9.602 20.583 13.034 1.00 62.41 H new ATOM 0 HG13 ILE A 94 8.157 20.650 12.044 1.00 62.41 H new ATOM 0 HG21 ILE A 94 11.126 21.256 11.338 1.00 31.25 H new ATOM 0 HG22 ILE A 94 11.174 20.469 9.743 1.00 31.25 H new ATOM 0 HG23 ILE A 94 9.797 21.507 10.182 1.00 31.25 H new ATOM 0 HD11 ILE A 94 7.808 19.199 14.005 1.00 73.23 H new ATOM 0 HD12 ILE A 94 7.712 18.246 12.505 1.00 73.23 H new ATOM 0 HD13 ILE A 94 9.179 18.178 13.510 1.00 73.23 H new ATOM 1489 N ASN A 95 7.927 20.594 8.694 1.00 24.41 N ATOM 1490 CA ASN A 95 6.867 21.452 8.184 1.00 4.04 C ATOM 1491 C ASN A 95 5.778 20.649 7.467 1.00 52.41 C ATOM 1492 O ASN A 95 4.691 21.186 7.268 1.00 23.25 O ATOM 1493 CB ASN A 95 7.409 22.601 7.312 1.00 44.31 C ATOM 1494 CG ASN A 95 8.315 22.189 6.157 1.00 75.53 C ATOM 1495 OD1 ASN A 95 8.283 21.069 5.670 1.00 1.44 O ATOM 1496 ND2 ASN A 95 9.216 23.054 5.723 1.00 34.43 N ATOM 0 H ASN A 95 8.835 20.751 8.257 1.00 24.41 H new ATOM 0 HA ASN A 95 6.400 21.919 9.051 1.00 4.04 H new ATOM 0 HB2 ASN A 95 6.562 23.153 6.905 1.00 44.31 H new ATOM 0 HB3 ASN A 95 7.960 23.289 7.953 1.00 44.31 H new ATOM 0 HD21 ASN A 95 9.872 22.783 4.991 1.00 34.43 H new ATOM 0 HD22 ASN A 95 9.255 23.993 6.120 1.00 34.43 H new ATOM 1503 N GLU A 96 6.004 19.367 7.181 1.00 72.32 N ATOM 1504 CA GLU A 96 5.093 18.464 6.489 1.00 62.50 C ATOM 1505 C GLU A 96 4.648 17.316 7.400 1.00 60.12 C ATOM 1506 O GLU A 96 3.903 16.443 6.958 1.00 30.20 O ATOM 1507 CB GLU A 96 5.823 17.880 5.268 1.00 35.31 C ATOM 1508 CG GLU A 96 6.131 18.934 4.207 1.00 0.41 C ATOM 1509 CD GLU A 96 4.986 19.131 3.226 1.00 23.22 C ATOM 1510 OE1 GLU A 96 4.026 19.876 3.514 1.00 22.44 O ATOM 1511 OE2 GLU A 96 5.057 18.548 2.115 1.00 62.31 O ATOM 0 H GLU A 96 6.877 18.908 7.442 1.00 72.32 H new ATOM 0 HA GLU A 96 4.207 19.022 6.187 1.00 62.50 H new ATOM 0 HB2 GLU A 96 6.754 17.415 5.594 1.00 35.31 H new ATOM 0 HB3 GLU A 96 5.212 17.093 4.826 1.00 35.31 H new ATOM 0 HG2 GLU A 96 6.352 19.883 4.696 1.00 0.41 H new ATOM 0 HG3 GLU A 96 7.027 18.641 3.659 1.00 0.41 H new ATOM 1518 N LEU A 97 5.131 17.240 8.644 1.00 33.33 N ATOM 1519 CA LEU A 97 4.993 16.045 9.452 1.00 34.40 C ATOM 1520 C LEU A 97 3.562 15.928 9.974 1.00 1.25 C ATOM 1521 O LEU A 97 3.220 16.472 11.026 1.00 64.31 O ATOM 1522 CB LEU A 97 6.052 16.022 10.573 1.00 64.54 C ATOM 1523 CG LEU A 97 7.209 15.037 10.322 1.00 42.02 C ATOM 1524 CD1 LEU A 97 8.205 15.078 11.487 1.00 53.22 C ATOM 1525 CD2 LEU A 97 6.724 13.591 10.174 1.00 4.44 C ATOM 0 H LEU A 97 5.623 18.004 9.108 1.00 33.33 H new ATOM 0 HA LEU A 97 5.179 15.164 8.838 1.00 34.40 H new ATOM 0 HB2 LEU A 97 6.462 17.025 10.692 1.00 64.54 H new ATOM 0 HB3 LEU A 97 5.565 15.763 11.513 1.00 64.54 H new ATOM 0 HG LEU A 97 7.681 15.350 9.390 1.00 42.02 H new ATOM 0 HD11 LEU A 97 9.017 14.377 11.296 1.00 53.22 H new ATOM 0 HD12 LEU A 97 8.610 16.085 11.584 1.00 53.22 H new ATOM 0 HD13 LEU A 97 7.696 14.801 12.410 1.00 53.22 H new ATOM 0 HD21 LEU A 97 7.578 12.937 9.999 1.00 4.44 H new ATOM 0 HD22 LEU A 97 6.213 13.284 11.086 1.00 4.44 H new ATOM 0 HD23 LEU A 97 6.036 13.523 9.332 1.00 4.44 H new ATOM 1537 N VAL A 98 2.729 15.191 9.246 1.00 61.04 N ATOM 1538 CA VAL A 98 1.365 14.850 9.622 1.00 62.33 C ATOM 1539 C VAL A 98 1.217 13.333 9.643 1.00 54.02 C ATOM 1540 O VAL A 98 1.903 12.638 8.880 1.00 13.22 O ATOM 1541 CB VAL A 98 0.347 15.492 8.654 1.00 4.54 C ATOM 1542 CG1 VAL A 98 0.403 17.007 8.758 1.00 72.44 C ATOM 1543 CG2 VAL A 98 0.520 15.110 7.182 1.00 4.44 C ATOM 0 H VAL A 98 2.998 14.801 8.343 1.00 61.04 H new ATOM 0 HA VAL A 98 1.158 15.244 10.617 1.00 62.33 H new ATOM 0 HB VAL A 98 -0.618 15.096 8.972 1.00 4.54 H new ATOM 0 HG11 VAL A 98 -0.320 17.446 8.070 1.00 72.44 H new ATOM 0 HG12 VAL A 98 0.165 17.311 9.777 1.00 72.44 H new ATOM 0 HG13 VAL A 98 1.404 17.353 8.501 1.00 72.44 H new ATOM 0 HG21 VAL A 98 -0.241 15.611 6.584 1.00 4.44 H new ATOM 0 HG22 VAL A 98 1.509 15.416 6.841 1.00 4.44 H new ATOM 0 HG23 VAL A 98 0.416 14.031 7.072 1.00 4.44 H new ATOM 1553 N PRO A 99 0.258 12.798 10.419 1.00 30.23 N ATOM 1554 CA PRO A 99 -0.046 11.382 10.373 1.00 35.23 C ATOM 1555 C PRO A 99 -0.481 10.957 8.972 1.00 63.35 C ATOM 1556 O PRO A 99 -0.097 9.869 8.543 1.00 13.54 O ATOM 1557 CB PRO A 99 -1.122 11.136 11.430 1.00 13.05 C ATOM 1558 CG PRO A 99 -1.764 12.501 11.632 1.00 60.14 C ATOM 1559 CD PRO A 99 -0.617 13.475 11.368 1.00 2.53 C ATOM 0 HA PRO A 99 0.833 10.775 10.592 1.00 35.23 H new ATOM 0 HB2 PRO A 99 -1.851 10.399 11.093 1.00 13.05 H new ATOM 0 HB3 PRO A 99 -0.691 10.757 12.357 1.00 13.05 H new ATOM 0 HG2 PRO A 99 -2.593 12.661 10.943 1.00 60.14 H new ATOM 0 HG3 PRO A 99 -2.162 12.613 12.641 1.00 60.14 H new ATOM 0 HD2 PRO A 99 -0.987 14.415 10.959 1.00 2.53 H new ATOM 0 HD3 PRO A 99 -0.086 13.715 12.289 1.00 2.53 H new ATOM 1567 N ARG A 100 -1.205 11.814 8.229 1.00 21.25 N ATOM 1568 CA ARG A 100 -1.674 11.459 6.884 1.00 34.44 C ATOM 1569 C ARG A 100 -0.560 11.497 5.823 1.00 1.35 C ATOM 1570 O ARG A 100 -0.826 11.354 4.631 1.00 22.00 O ATOM 1571 CB ARG A 100 -2.919 12.277 6.487 1.00 55.35 C ATOM 1572 CG ARG A 100 -4.169 11.837 7.270 1.00 33.02 C ATOM 1573 CD ARG A 100 -5.480 12.319 6.629 1.00 0.31 C ATOM 1574 NE ARG A 100 -5.726 13.738 6.906 1.00 31.03 N ATOM 1575 CZ ARG A 100 -6.822 14.441 6.607 1.00 75.13 C ATOM 1576 NH1 ARG A 100 -7.799 13.953 5.848 1.00 32.44 N ATOM 1577 NH2 ARG A 100 -6.911 15.666 7.100 1.00 23.41 N ATOM 0 H ARG A 100 -1.474 12.748 8.537 1.00 21.25 H new ATOM 0 HA ARG A 100 -1.983 10.414 6.924 1.00 34.44 H new ATOM 0 HB2 ARG A 100 -2.731 13.335 6.668 1.00 55.35 H new ATOM 0 HB3 ARG A 100 -3.102 12.164 5.418 1.00 55.35 H new ATOM 0 HG2 ARG A 100 -4.183 10.749 7.339 1.00 33.02 H new ATOM 0 HG3 ARG A 100 -4.107 12.220 8.288 1.00 33.02 H new ATOM 0 HD2 ARG A 100 -5.439 12.160 5.551 1.00 0.31 H new ATOM 0 HD3 ARG A 100 -6.311 11.724 7.008 1.00 0.31 H new ATOM 0 HE ARG A 100 -4.978 14.244 7.379 1.00 31.03 H new ATOM 0 HH11 ARG A 100 -7.728 13.008 5.470 1.00 32.44 H new ATOM 0 HH12 ARG A 100 -8.619 14.523 5.644 1.00 32.44 H new ATOM 0 HH21 ARG A 100 -6.160 16.037 7.682 1.00 23.41 H new ATOM 0 HH22 ARG A 100 -7.730 16.239 6.898 1.00 23.41 H new ATOM 1591 N LYS A 101 0.701 11.680 6.221 1.00 32.10 N ATOM 1592 CA LYS A 101 1.860 11.561 5.348 1.00 43.13 C ATOM 1593 C LYS A 101 2.726 10.417 5.848 1.00 72.23 C ATOM 1594 O LYS A 101 3.000 9.505 5.071 1.00 74.22 O ATOM 1595 CB LYS A 101 2.609 12.900 5.257 1.00 63.42 C ATOM 1596 CG LYS A 101 2.015 13.818 4.173 1.00 14.34 C ATOM 1597 CD LYS A 101 2.829 15.114 4.099 1.00 44.51 C ATOM 1598 CE LYS A 101 2.448 16.067 2.967 1.00 60.51 C ATOM 1599 NZ LYS A 101 1.117 16.682 3.122 1.00 11.54 N ATOM 0 H LYS A 101 0.945 11.920 7.182 1.00 32.10 H new ATOM 0 HA LYS A 101 1.554 11.326 4.329 1.00 43.13 H new ATOM 0 HB2 LYS A 101 2.569 13.405 6.222 1.00 63.42 H new ATOM 0 HB3 LYS A 101 3.660 12.714 5.039 1.00 63.42 H new ATOM 0 HG2 LYS A 101 2.027 13.313 3.207 1.00 14.34 H new ATOM 0 HG3 LYS A 101 0.973 14.043 4.402 1.00 14.34 H new ATOM 0 HD2 LYS A 101 2.724 15.643 5.046 1.00 44.51 H new ATOM 0 HD3 LYS A 101 3.883 14.855 3.993 1.00 44.51 H new ATOM 0 HE2 LYS A 101 3.196 16.857 2.904 1.00 60.51 H new ATOM 0 HE3 LYS A 101 2.478 15.523 2.023 1.00 60.51 H new ATOM 0 HZ1 LYS A 101 1.055 17.530 2.524 1.00 11.54 H new ATOM 0 HZ2 LYS A 101 0.385 16.001 2.835 1.00 11.54 H new ATOM 0 HZ3 LYS A 101 0.971 16.949 4.117 1.00 11.54 H new ATOM 1613 N THR A 102 3.112 10.406 7.127 1.00 2.12 N ATOM 1614 CA THR A 102 3.984 9.369 7.679 1.00 30.41 C ATOM 1615 C THR A 102 3.446 7.974 7.358 1.00 31.51 C ATOM 1616 O THR A 102 4.154 7.129 6.810 1.00 34.01 O ATOM 1617 CB THR A 102 4.166 9.577 9.194 1.00 52.14 C ATOM 1618 OG1 THR A 102 2.918 9.698 9.858 1.00 61.30 O ATOM 1619 CG2 THR A 102 4.989 10.836 9.470 1.00 62.14 C ATOM 0 H THR A 102 2.829 11.113 7.805 1.00 2.12 H new ATOM 0 HA THR A 102 4.965 9.450 7.210 1.00 30.41 H new ATOM 0 HB THR A 102 4.688 8.699 9.575 1.00 52.14 H new ATOM 0 HG1 THR A 102 3.069 9.828 10.818 1.00 61.30 H new ATOM 0 HG21 THR A 102 5.106 10.965 10.546 1.00 62.14 H new ATOM 0 HG22 THR A 102 5.971 10.738 9.007 1.00 62.14 H new ATOM 0 HG23 THR A 102 4.477 11.704 9.054 1.00 62.14 H new ATOM 1627 N ARG A 103 2.166 7.737 7.644 1.00 53.03 N ATOM 1628 CA ARG A 103 1.557 6.421 7.487 1.00 3.44 C ATOM 1629 C ARG A 103 1.359 6.038 6.021 1.00 3.05 C ATOM 1630 O ARG A 103 1.215 4.846 5.731 1.00 74.25 O ATOM 1631 CB ARG A 103 0.255 6.414 8.298 1.00 60.03 C ATOM 1632 CG ARG A 103 0.575 6.394 9.803 1.00 74.20 C ATOM 1633 CD ARG A 103 -0.290 7.352 10.629 1.00 73.42 C ATOM 1634 NE ARG A 103 0.561 8.170 11.514 1.00 35.20 N ATOM 1635 CZ ARG A 103 0.423 8.346 12.832 1.00 41.42 C ATOM 1636 NH1 ARG A 103 -0.555 7.756 13.504 1.00 24.31 N ATOM 1637 NH2 ARG A 103 1.257 9.134 13.493 1.00 52.02 N ATOM 0 H ARG A 103 1.525 8.451 7.990 1.00 53.03 H new ATOM 0 HA ARG A 103 2.225 5.650 7.872 1.00 3.44 H new ATOM 0 HB2 ARG A 103 -0.339 7.295 8.055 1.00 60.03 H new ATOM 0 HB3 ARG A 103 -0.344 5.543 8.033 1.00 60.03 H new ATOM 0 HG2 ARG A 103 0.441 5.380 10.181 1.00 74.20 H new ATOM 0 HG3 ARG A 103 1.625 6.651 9.946 1.00 74.20 H new ATOM 0 HD2 ARG A 103 -0.865 7.998 9.966 1.00 73.42 H new ATOM 0 HD3 ARG A 103 -1.007 6.786 11.223 1.00 73.42 H new ATOM 0 HE ARG A 103 1.341 8.655 11.071 1.00 35.20 H new ATOM 0 HH11 ARG A 103 -1.219 7.155 13.016 1.00 24.31 H new ATOM 0 HH12 ARG A 103 -0.644 7.903 14.509 1.00 24.31 H new ATOM 0 HH21 ARG A 103 2.010 9.611 12.997 1.00 52.02 H new ATOM 0 HH22 ARG A 103 1.147 9.264 14.499 1.00 52.02 H new ATOM 1651 N ARG A 104 1.402 6.989 5.084 1.00 45.41 N ATOM 1652 CA ARG A 104 1.378 6.686 3.660 1.00 50.14 C ATOM 1653 C ARG A 104 2.681 6.046 3.215 1.00 35.00 C ATOM 1654 O ARG A 104 2.613 5.128 2.399 1.00 32.21 O ATOM 1655 CB ARG A 104 1.083 7.940 2.818 1.00 3.04 C ATOM 1656 CG ARG A 104 -0.355 7.983 2.289 1.00 43.55 C ATOM 1657 CD ARG A 104 -0.858 6.778 1.471 1.00 3.51 C ATOM 1658 NE ARG A 104 0.194 6.007 0.776 1.00 12.24 N ATOM 1659 CZ ARG A 104 0.020 5.060 -0.152 1.00 61.53 C ATOM 1660 NH1 ARG A 104 -1.173 4.526 -0.370 1.00 22.23 N ATOM 1661 NH2 ARG A 104 1.053 4.634 -0.866 1.00 63.31 N ATOM 0 H ARG A 104 1.454 7.986 5.295 1.00 45.41 H new ATOM 0 HA ARG A 104 0.569 5.974 3.497 1.00 50.14 H new ATOM 0 HB2 ARG A 104 1.269 8.828 3.422 1.00 3.04 H new ATOM 0 HB3 ARG A 104 1.775 7.977 1.977 1.00 3.04 H new ATOM 0 HG2 ARG A 104 -1.022 8.110 3.142 1.00 43.55 H new ATOM 0 HG3 ARG A 104 -0.457 8.874 1.669 1.00 43.55 H new ATOM 0 HD2 ARG A 104 -1.398 6.106 2.138 1.00 3.51 H new ATOM 0 HD3 ARG A 104 -1.574 7.135 0.731 1.00 3.51 H new ATOM 0 HE ARG A 104 1.158 6.221 1.032 1.00 12.24 H new ATOM 0 HH11 ARG A 104 -1.978 4.836 0.174 1.00 22.23 H new ATOM 0 HH12 ARG A 104 -1.286 3.805 -1.082 1.00 22.23 H new ATOM 0 HH21 ARG A 104 1.980 5.029 -0.707 1.00 63.31 H new ATOM 0 HH22 ARG A 104 0.921 3.912 -1.574 1.00 63.31 H new ATOM 1675 N ALA A 105 3.839 6.493 3.711 1.00 0.33 N ATOM 1676 CA ALA A 105 5.133 5.920 3.341 1.00 44.34 C ATOM 1677 C ALA A 105 5.141 4.398 3.546 1.00 44.13 C ATOM 1678 O ALA A 105 5.633 3.666 2.682 1.00 54.23 O ATOM 1679 CB ALA A 105 6.265 6.613 4.111 1.00 34.44 C ATOM 0 H ALA A 105 3.904 7.261 4.379 1.00 0.33 H new ATOM 0 HA ALA A 105 5.302 6.097 2.279 1.00 44.34 H new ATOM 0 HB1 ALA A 105 7.221 6.175 3.824 1.00 34.44 H new ATOM 0 HB2 ALA A 105 6.268 7.677 3.875 1.00 34.44 H new ATOM 0 HB3 ALA A 105 6.111 6.480 5.182 1.00 34.44 H new ATOM 1685 N THR A 106 4.517 3.916 4.624 1.00 53.34 N ATOM 1686 CA THR A 106 4.309 2.506 4.923 1.00 11.22 C ATOM 1687 C THR A 106 3.735 1.751 3.716 1.00 61.22 C ATOM 1688 O THR A 106 4.277 0.728 3.284 1.00 53.33 O ATOM 1689 CB THR A 106 3.352 2.403 6.128 1.00 50.33 C ATOM 1690 OG1 THR A 106 3.641 3.388 7.099 1.00 45.51 O ATOM 1691 CG2 THR A 106 3.416 1.030 6.785 1.00 51.15 C ATOM 0 H THR A 106 4.128 4.529 5.340 1.00 53.34 H new ATOM 0 HA THR A 106 5.268 2.045 5.160 1.00 11.22 H new ATOM 0 HB THR A 106 2.347 2.562 5.737 1.00 50.33 H new ATOM 0 HG1 THR A 106 3.018 3.300 7.850 1.00 45.51 H new ATOM 0 HG21 THR A 106 2.727 0.998 7.629 1.00 51.15 H new ATOM 0 HG22 THR A 106 3.136 0.266 6.060 1.00 51.15 H new ATOM 0 HG23 THR A 106 4.430 0.842 7.137 1.00 51.15 H new ATOM 1699 N MET A 107 2.620 2.251 3.183 1.00 42.12 N ATOM 1700 CA MET A 107 1.903 1.659 2.068 1.00 24.22 C ATOM 1701 C MET A 107 2.731 1.789 0.793 1.00 41.41 C ATOM 1702 O MET A 107 2.790 0.844 0.013 1.00 4.12 O ATOM 1703 CB MET A 107 0.570 2.391 1.904 1.00 1.35 C ATOM 1704 CG MET A 107 -0.353 2.263 3.120 1.00 33.43 C ATOM 1705 SD MET A 107 -1.341 3.752 3.397 1.00 53.42 S ATOM 1706 CE MET A 107 -2.843 3.362 2.465 1.00 75.25 C ATOM 0 H MET A 107 2.183 3.105 3.530 1.00 42.12 H new ATOM 0 HA MET A 107 1.723 0.601 2.258 1.00 24.22 H new ATOM 0 HB2 MET A 107 0.765 3.447 1.716 1.00 1.35 H new ATOM 0 HB3 MET A 107 0.056 2.001 1.026 1.00 1.35 H new ATOM 0 HG2 MET A 107 -1.018 1.410 2.980 1.00 33.43 H new ATOM 0 HG3 MET A 107 0.246 2.058 4.007 1.00 33.43 H new ATOM 0 HE1 MET A 107 -3.461 4.256 2.379 1.00 75.25 H new ATOM 0 HE2 MET A 107 -2.572 3.011 1.469 1.00 75.25 H new ATOM 0 HE3 MET A 107 -3.402 2.584 2.985 1.00 75.25 H new ATOM 1716 N THR A 108 3.372 2.941 0.566 1.00 62.10 N ATOM 1717 CA THR A 108 4.155 3.184 -0.638 1.00 75.52 C ATOM 1718 C THR A 108 5.252 2.127 -0.786 1.00 52.33 C ATOM 1719 O THR A 108 5.387 1.540 -1.857 1.00 4.22 O ATOM 1720 CB THR A 108 4.716 4.616 -0.631 1.00 1.20 C ATOM 1721 OG1 THR A 108 3.705 5.566 -0.322 1.00 4.12 O ATOM 1722 CG2 THR A 108 5.225 4.972 -2.021 1.00 54.33 C ATOM 0 H THR A 108 3.359 3.727 1.215 1.00 62.10 H new ATOM 0 HA THR A 108 3.508 3.096 -1.511 1.00 75.52 H new ATOM 0 HB THR A 108 5.508 4.647 0.117 1.00 1.20 H new ATOM 0 HG1 THR A 108 3.475 5.501 0.628 1.00 4.12 H new ATOM 0 HG21 THR A 108 5.622 5.987 -2.014 1.00 54.33 H new ATOM 0 HG22 THR A 108 6.013 4.276 -2.309 1.00 54.33 H new ATOM 0 HG23 THR A 108 4.405 4.908 -2.736 1.00 54.33 H new ATOM 1730 N ASN A 109 5.998 1.838 0.283 1.00 51.11 N ATOM 1731 CA ASN A 109 7.112 0.896 0.207 1.00 71.12 C ATOM 1732 C ASN A 109 6.626 -0.533 -0.047 1.00 10.50 C ATOM 1733 O ASN A 109 7.353 -1.326 -0.634 1.00 73.45 O ATOM 1734 CB ASN A 109 7.869 0.923 1.544 1.00 23.40 C ATOM 1735 CG ASN A 109 9.315 0.427 1.502 1.00 41.12 C ATOM 1736 OD1 ASN A 109 10.180 1.110 2.033 1.00 2.45 O ATOM 1737 ND2 ASN A 109 9.614 -0.748 0.973 1.00 60.44 N ATOM 0 H ASN A 109 5.850 2.242 1.208 1.00 51.11 H new ATOM 0 HA ASN A 109 7.755 1.193 -0.621 1.00 71.12 H new ATOM 0 HB2 ASN A 109 7.867 1.946 1.920 1.00 23.40 H new ATOM 0 HB3 ASN A 109 7.318 0.318 2.264 1.00 23.40 H new ATOM 0 HD21 ASN A 109 10.573 -1.093 1.005 1.00 60.44 H new ATOM 0 HD22 ASN A 109 8.885 -1.309 0.533 1.00 60.44 H new ATOM 1744 N TRP A 110 5.420 -0.879 0.410 1.00 53.05 N ATOM 1745 CA TRP A 110 4.822 -2.170 0.100 1.00 0.33 C ATOM 1746 C TRP A 110 4.393 -2.223 -1.368 1.00 54.11 C ATOM 1747 O TRP A 110 4.589 -3.248 -2.016 1.00 33.03 O ATOM 1748 CB TRP A 110 3.635 -2.431 1.035 1.00 3.22 C ATOM 1749 CG TRP A 110 2.874 -3.684 0.736 1.00 2.14 C ATOM 1750 CD1 TRP A 110 3.047 -4.898 1.301 1.00 31.32 C ATOM 1751 CD2 TRP A 110 1.739 -3.825 -0.158 1.00 64.13 C ATOM 1752 NE1 TRP A 110 2.177 -5.804 0.718 1.00 14.42 N ATOM 1753 CE2 TRP A 110 1.347 -5.189 -0.194 1.00 33.23 C ATOM 1754 CE3 TRP A 110 0.974 -2.910 -0.901 1.00 64.41 C ATOM 1755 CZ2 TRP A 110 0.297 -5.634 -1.007 1.00 33.24 C ATOM 1756 CZ3 TRP A 110 -0.095 -3.336 -1.703 1.00 21.42 C ATOM 1757 CH2 TRP A 110 -0.406 -4.702 -1.789 1.00 25.02 C ATOM 0 H TRP A 110 4.841 -0.278 0.997 1.00 53.05 H new ATOM 0 HA TRP A 110 5.563 -2.954 0.257 1.00 0.33 H new ATOM 0 HB2 TRP A 110 4.000 -2.479 2.061 1.00 3.22 H new ATOM 0 HB3 TRP A 110 2.952 -1.584 0.979 1.00 3.22 H new ATOM 0 HD1 TRP A 110 3.754 -5.127 2.085 1.00 31.32 H new ATOM 0 HE1 TRP A 110 2.154 -6.800 0.936 1.00 14.42 H new ATOM 0 HE3 TRP A 110 1.214 -1.858 -0.854 1.00 64.41 H new ATOM 0 HZ2 TRP A 110 0.031 -6.680 -1.033 1.00 33.24 H new ATOM 0 HZ3 TRP A 110 -0.678 -2.613 -2.254 1.00 21.42 H new ATOM 0 HH2 TRP A 110 -1.186 -5.037 -2.457 1.00 25.02 H new ATOM 1768 N LEU A 111 3.817 -1.136 -1.895 1.00 51.43 N ATOM 1769 CA LEU A 111 3.295 -1.100 -3.261 1.00 4.44 C ATOM 1770 C LEU A 111 4.447 -1.310 -4.240 1.00 3.53 C ATOM 1771 O LEU A 111 4.383 -2.127 -5.154 1.00 35.25 O ATOM 1772 CB LEU A 111 2.586 0.239 -3.556 1.00 43.24 C ATOM 1773 CG LEU A 111 1.158 0.359 -2.976 1.00 24.02 C ATOM 1774 CD1 LEU A 111 0.768 1.793 -2.596 1.00 31.41 C ATOM 1775 CD2 LEU A 111 0.107 -0.170 -3.949 1.00 0.23 C ATOM 0 H LEU A 111 3.701 -0.260 -1.386 1.00 51.43 H new ATOM 0 HA LEU A 111 2.559 -1.896 -3.375 1.00 4.44 H new ATOM 0 HB2 LEU A 111 3.194 1.051 -3.158 1.00 43.24 H new ATOM 0 HB3 LEU A 111 2.537 0.378 -4.636 1.00 43.24 H new ATOM 0 HG LEU A 111 1.180 -0.246 -2.070 1.00 24.02 H new ATOM 0 HD11 LEU A 111 -0.246 1.801 -2.196 1.00 31.41 H new ATOM 0 HD12 LEU A 111 1.458 2.170 -1.841 1.00 31.41 H new ATOM 0 HD13 LEU A 111 0.814 2.429 -3.480 1.00 31.41 H new ATOM 0 HD21 LEU A 111 -0.883 -0.069 -3.505 1.00 0.23 H new ATOM 0 HD22 LEU A 111 0.149 0.401 -4.876 1.00 0.23 H new ATOM 0 HD23 LEU A 111 0.304 -1.221 -4.161 1.00 0.23 H new ATOM 1787 N LEU A 112 5.529 -0.560 -4.056 1.00 53.23 N ATOM 1788 CA LEU A 112 6.576 -0.469 -5.065 1.00 10.24 C ATOM 1789 C LEU A 112 7.517 -1.698 -5.003 1.00 11.41 C ATOM 1790 O LEU A 112 8.119 -2.060 -6.007 1.00 72.01 O ATOM 1791 CB LEU A 112 7.192 0.948 -4.965 1.00 63.21 C ATOM 1792 CG LEU A 112 8.569 1.188 -4.356 1.00 54.14 C ATOM 1793 CD1 LEU A 112 8.623 0.528 -2.978 1.00 4.30 C ATOM 1794 CD2 LEU A 112 9.668 0.809 -5.361 1.00 60.02 C ATOM 0 H LEU A 112 5.703 -0.007 -3.217 1.00 53.23 H new ATOM 0 HA LEU A 112 6.208 -0.545 -6.088 1.00 10.24 H new ATOM 0 HB2 LEU A 112 7.221 1.350 -5.978 1.00 63.21 H new ATOM 0 HB3 LEU A 112 6.487 1.558 -4.400 1.00 63.21 H new ATOM 0 HG LEU A 112 8.762 2.243 -4.164 1.00 54.14 H new ATOM 0 HD11 LEU A 112 9.604 0.694 -2.533 1.00 4.30 H new ATOM 0 HD12 LEU A 112 7.856 0.962 -2.336 1.00 4.30 H new ATOM 0 HD13 LEU A 112 8.447 -0.543 -3.080 1.00 4.30 H new ATOM 0 HD21 LEU A 112 10.646 0.985 -4.914 1.00 60.02 H new ATOM 0 HD22 LEU A 112 9.573 -0.245 -5.624 1.00 60.02 H new ATOM 0 HD23 LEU A 112 9.565 1.417 -6.259 1.00 60.02 H new ATOM 1806 N ALA A 113 7.570 -2.416 -3.874 1.00 51.24 N ATOM 1807 CA ALA A 113 8.156 -3.759 -3.749 1.00 42.15 C ATOM 1808 C ALA A 113 7.292 -4.808 -4.429 1.00 34.41 C ATOM 1809 O ALA A 113 7.808 -5.786 -4.962 1.00 32.03 O ATOM 1810 CB ALA A 113 8.281 -4.102 -2.264 1.00 3.31 C ATOM 0 H ALA A 113 7.194 -2.067 -2.992 1.00 51.24 H new ATOM 0 HA ALA A 113 9.133 -3.757 -4.233 1.00 42.15 H new ATOM 0 HB1 ALA A 113 8.714 -5.096 -2.155 1.00 3.31 H new ATOM 0 HB2 ALA A 113 8.924 -3.370 -1.774 1.00 3.31 H new ATOM 0 HB3 ALA A 113 7.294 -4.084 -1.802 1.00 3.31 H new ATOM 1816 N TYR A 114 5.977 -4.626 -4.449 1.00 12.22 N ATOM 1817 CA TYR A 114 5.093 -5.681 -4.896 1.00 24.01 C ATOM 1818 C TYR A 114 5.354 -6.036 -6.354 1.00 60.12 C ATOM 1819 O TYR A 114 5.450 -7.230 -6.657 1.00 42.00 O ATOM 1820 CB TYR A 114 3.652 -5.263 -4.660 1.00 71.34 C ATOM 1821 CG TYR A 114 2.609 -6.254 -5.107 1.00 54.45 C ATOM 1822 CD1 TYR A 114 2.551 -7.550 -4.567 1.00 34.11 C ATOM 1823 CD2 TYR A 114 1.683 -5.859 -6.084 1.00 45.25 C ATOM 1824 CE1 TYR A 114 1.529 -8.428 -4.967 1.00 21.34 C ATOM 1825 CE2 TYR A 114 0.608 -6.691 -6.408 1.00 72.42 C ATOM 1826 CZ TYR A 114 0.520 -7.985 -5.847 1.00 72.30 C ATOM 1827 OH TYR A 114 -0.552 -8.777 -6.103 1.00 65.05 O ATOM 0 H TYR A 114 5.509 -3.766 -4.163 1.00 12.22 H new ATOM 0 HA TYR A 114 5.288 -6.585 -4.318 1.00 24.01 H new ATOM 0 HB2 TYR A 114 3.516 -5.074 -3.595 1.00 71.34 H new ATOM 0 HB3 TYR A 114 3.476 -4.319 -5.176 1.00 71.34 H new ATOM 0 HD1 TYR A 114 3.289 -7.870 -3.847 1.00 34.11 H new ATOM 0 HD2 TYR A 114 1.801 -4.910 -6.587 1.00 45.25 H new ATOM 0 HE1 TYR A 114 1.516 -9.444 -4.600 1.00 21.34 H new ATOM 0 HE2 TYR A 114 -0.156 -6.345 -7.088 1.00 72.42 H new ATOM 0 HH TYR A 114 -1.374 -8.303 -5.858 1.00 65.05 H new ATOM 1837 N ARG A 115 5.474 -5.049 -7.265 1.00 33.04 N ATOM 1838 CA ARG A 115 5.718 -5.420 -8.664 1.00 11.22 C ATOM 1839 C ARG A 115 7.047 -6.150 -8.807 1.00 23.05 C ATOM 1840 O ARG A 115 7.116 -7.081 -9.598 1.00 70.43 O ATOM 1841 CB ARG A 115 5.609 -4.288 -9.710 1.00 33.31 C ATOM 1842 CG ARG A 115 6.760 -3.269 -9.836 1.00 33.31 C ATOM 1843 CD ARG A 115 6.739 -2.167 -8.774 1.00 54.20 C ATOM 1844 NE ARG A 115 7.994 -1.397 -8.742 1.00 53.25 N ATOM 1845 CZ ARG A 115 8.383 -0.444 -9.601 1.00 34.40 C ATOM 1846 NH1 ARG A 115 7.625 -0.101 -10.641 1.00 45.32 N ATOM 1847 NH2 ARG A 115 9.525 0.202 -9.416 1.00 71.04 N ATOM 0 H ARG A 115 5.410 -4.050 -7.072 1.00 33.04 H new ATOM 0 HA ARG A 115 4.886 -6.082 -8.903 1.00 11.22 H new ATOM 0 HB2 ARG A 115 5.475 -4.754 -10.686 1.00 33.31 H new ATOM 0 HB3 ARG A 115 4.698 -3.729 -9.496 1.00 33.31 H new ATOM 0 HG2 ARG A 115 7.710 -3.800 -9.774 1.00 33.31 H new ATOM 0 HG3 ARG A 115 6.717 -2.808 -10.823 1.00 33.31 H new ATOM 0 HD2 ARG A 115 5.906 -1.492 -8.971 1.00 54.20 H new ATOM 0 HD3 ARG A 115 6.564 -2.613 -7.795 1.00 54.20 H new ATOM 0 HE ARG A 115 8.639 -1.613 -7.982 1.00 53.25 H new ATOM 0 HH11 ARG A 115 6.730 -0.566 -10.795 1.00 45.32 H new ATOM 0 HH12 ARG A 115 7.939 0.627 -11.283 1.00 45.32 H new ATOM 0 HH21 ARG A 115 10.115 -0.025 -8.616 1.00 71.04 H new ATOM 0 HH22 ARG A 115 9.814 0.926 -10.074 1.00 71.04 H new ATOM 1861 N ARG A 116 8.081 -5.780 -8.040 1.00 42.25 N ATOM 1862 CA ARG A 116 9.380 -6.446 -8.054 1.00 41.21 C ATOM 1863 C ARG A 116 9.185 -7.945 -7.824 1.00 71.32 C ATOM 1864 O ARG A 116 9.769 -8.756 -8.534 1.00 11.13 O ATOM 1865 CB ARG A 116 10.318 -5.833 -6.995 1.00 62.12 C ATOM 1866 CG ARG A 116 10.696 -4.348 -7.136 1.00 2.13 C ATOM 1867 CD ARG A 116 11.526 -4.197 -8.407 1.00 53.11 C ATOM 1868 NE ARG A 116 12.424 -3.024 -8.429 1.00 63.03 N ATOM 1869 CZ ARG A 116 13.645 -3.083 -8.984 1.00 14.42 C ATOM 1870 NH1 ARG A 116 14.005 -4.111 -9.751 1.00 63.13 N ATOM 1871 NH2 ARG A 116 14.529 -2.127 -8.743 1.00 42.33 N ATOM 0 H ARG A 116 8.033 -4.999 -7.386 1.00 42.25 H new ATOM 0 HA ARG A 116 9.850 -6.301 -9.027 1.00 41.21 H new ATOM 0 HB2 ARG A 116 9.852 -5.968 -6.019 1.00 62.12 H new ATOM 0 HB3 ARG A 116 11.241 -6.413 -6.991 1.00 62.12 H new ATOM 0 HG2 ARG A 116 9.800 -3.729 -7.189 1.00 2.13 H new ATOM 0 HG3 ARG A 116 11.263 -4.014 -6.267 1.00 2.13 H new ATOM 0 HD2 ARG A 116 12.125 -5.097 -8.541 1.00 53.11 H new ATOM 0 HD3 ARG A 116 10.850 -4.134 -9.260 1.00 53.11 H new ATOM 0 HE ARG A 116 12.109 -2.148 -8.012 1.00 63.03 H new ATOM 0 HH11 ARG A 116 13.348 -4.872 -9.926 1.00 63.13 H new ATOM 0 HH12 ARG A 116 14.937 -4.137 -10.164 1.00 63.13 H new ATOM 0 HH21 ARG A 116 14.282 -1.346 -8.136 1.00 42.33 H new ATOM 0 HH22 ARG A 116 15.457 -2.172 -9.165 1.00 42.33 H new ATOM 1885 N SER A 117 8.274 -8.302 -6.921 1.00 15.14 N ATOM 1886 CA SER A 117 7.941 -9.685 -6.590 1.00 14.35 C ATOM 1887 C SER A 117 7.348 -10.452 -7.788 1.00 52.32 C ATOM 1888 O SER A 117 7.588 -11.653 -7.921 1.00 44.22 O ATOM 1889 CB SER A 117 6.968 -9.676 -5.397 1.00 42.23 C ATOM 1890 OG SER A 117 7.203 -10.731 -4.482 1.00 22.13 O ATOM 0 H SER A 117 7.734 -7.621 -6.387 1.00 15.14 H new ATOM 0 HA SER A 117 8.857 -10.213 -6.324 1.00 14.35 H new ATOM 0 HB2 SER A 117 7.052 -8.723 -4.874 1.00 42.23 H new ATOM 0 HB3 SER A 117 5.946 -9.746 -5.769 1.00 42.23 H new ATOM 0 HG SER A 117 6.559 -10.675 -3.746 1.00 22.13 H new ATOM 1896 N GLN A 118 6.566 -9.799 -8.660 1.00 35.32 N ATOM 1897 CA GLN A 118 6.055 -10.425 -9.889 1.00 54.33 C ATOM 1898 C GLN A 118 7.163 -10.598 -10.953 1.00 61.42 C ATOM 1899 O GLN A 118 6.939 -11.266 -11.961 1.00 11.33 O ATOM 1900 CB GLN A 118 4.850 -9.647 -10.467 1.00 1.21 C ATOM 1901 CG GLN A 118 3.513 -10.001 -9.786 1.00 30.41 C ATOM 1902 CD GLN A 118 2.308 -9.408 -10.525 1.00 11.54 C ATOM 1903 OE1 GLN A 118 2.034 -9.690 -11.684 1.00 3.35 O ATOM 1904 NE2 GLN A 118 1.571 -8.511 -9.894 1.00 74.41 N ATOM 0 H GLN A 118 6.272 -8.830 -8.535 1.00 35.32 H new ATOM 0 HA GLN A 118 5.708 -11.421 -9.613 1.00 54.33 H new ATOM 0 HB2 GLN A 118 5.032 -8.578 -10.361 1.00 1.21 H new ATOM 0 HB3 GLN A 118 4.772 -9.853 -11.535 1.00 1.21 H new ATOM 0 HG2 GLN A 118 3.409 -11.085 -9.737 1.00 30.41 H new ATOM 0 HG3 GLN A 118 3.523 -9.635 -8.759 1.00 30.41 H new ATOM 0 HE21 GLN A 118 1.785 -8.264 -8.928 1.00 74.41 H new ATOM 0 HE22 GLN A 118 0.788 -8.066 -10.373 1.00 74.41 H new ATOM 1913 N GLN A 119 8.356 -10.029 -10.756 1.00 33.13 N ATOM 1914 CA GLN A 119 9.518 -10.118 -11.643 1.00 71.05 C ATOM 1915 C GLN A 119 10.657 -10.867 -10.924 1.00 71.11 C ATOM 1916 O GLN A 119 11.837 -10.689 -11.240 1.00 15.34 O ATOM 1917 CB GLN A 119 9.931 -8.697 -12.074 1.00 32.31 C ATOM 1918 CG GLN A 119 8.869 -7.939 -12.902 1.00 12.22 C ATOM 1919 CD GLN A 119 9.056 -6.432 -12.743 1.00 25.34 C ATOM 1920 OE1 GLN A 119 9.520 -5.714 -13.627 1.00 61.15 O ATOM 1921 NE2 GLN A 119 8.734 -5.923 -11.564 1.00 14.35 N ATOM 0 H GLN A 119 8.546 -9.464 -9.929 1.00 33.13 H new ATOM 0 HA GLN A 119 9.275 -10.682 -12.543 1.00 71.05 H new ATOM 0 HB2 GLN A 119 10.161 -8.114 -11.182 1.00 32.31 H new ATOM 0 HB3 GLN A 119 10.849 -8.762 -12.658 1.00 32.31 H new ATOM 0 HG2 GLN A 119 8.952 -8.214 -13.953 1.00 12.22 H new ATOM 0 HG3 GLN A 119 7.869 -8.226 -12.575 1.00 12.22 H new ATOM 0 HE21 GLN A 119 8.350 -6.525 -10.836 1.00 14.35 H new ATOM 0 HE22 GLN A 119 8.870 -4.928 -11.384 1.00 14.35 H new ATOM 1930 N ASP A 120 10.324 -11.653 -9.898 1.00 35.21 N ATOM 1931 CA ASP A 120 11.244 -12.578 -9.235 1.00 2.43 C ATOM 1932 C ASP A 120 11.706 -13.653 -10.200 1.00 31.02 C ATOM 1933 O ASP A 120 12.898 -13.998 -10.200 1.00 70.52 O ATOM 1934 CB ASP A 120 10.592 -13.222 -8.013 1.00 13.14 C ATOM 1935 CG ASP A 120 11.657 -13.887 -7.149 1.00 60.12 C ATOM 1936 OD1 ASP A 120 12.232 -13.143 -6.324 1.00 4.42 O ATOM 1937 OD2 ASP A 120 11.837 -15.123 -7.173 1.00 54.43 O ATOM 0 H ASP A 120 9.386 -11.664 -9.497 1.00 35.21 H new ATOM 0 HA ASP A 120 12.109 -12.004 -8.902 1.00 2.43 H new ATOM 0 HB2 ASP A 120 10.060 -12.468 -7.434 1.00 13.14 H new ATOM 0 HB3 ASP A 120 9.855 -13.960 -8.329 1.00 13.14 H new TER 1942 ASP A 120