USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 51 SER OG : rot 16:sc= 2.24 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -177:sc= 1.28! (180deg=0.672) USER MOD Set 2.1: A 9 SER OG : rot -92:sc= 0.599 USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 0.932 USER MOD Set 3.1: A 1 GLY N :NH3+ 154:sc= 1.09 (180deg=0.111!) USER MOD Set 3.2: A 8 HIS : no HE2:sc= 0.397 K(o=1.5,f=-2) USER MOD Set 4.1: A 2 SER OG : rot 170:sc= 1.08 USER MOD Set 4.2: A 4 SER OG : rot -90:sc= 1.19 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -85:sc= 0.155 USER MOD Single : A 16 THR OG1 : rot 112:sc= 1.04 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0953! C(o=-0.095!,f=-9.9!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.167 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0.879 (180deg=0.261) USER MOD Single : A 66 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 70:sc= 0.947 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 139:sc= 0.542 (180deg=-0.644!) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 0.896 (180deg=0.339) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 47:sc= 1.05 USER MOD Single : A 84 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.4!) USER MOD Single : A 89 HIS : no HE2:sc= 0.984 K(o=0.98,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.242 -28.860 -0.185 1.00 3.44 N ATOM 2 CA GLY A 1 8.657 -28.647 0.257 1.00 3.74 C ATOM 3 C GLY A 1 9.102 -27.203 -0.032 1.00 3.52 C ATOM 4 O GLY A 1 8.778 -26.293 0.704 1.00 3.62 O ATOM 0 H1 GLY A 1 7.094 -29.866 -0.401 1.00 3.44 H new ATOM 0 H2 GLY A 1 6.594 -28.570 0.575 1.00 3.44 H new ATOM 0 H3 GLY A 1 7.055 -28.292 -1.036 1.00 3.44 H new ATOM 0 HA2 GLY A 1 8.746 -28.854 1.323 1.00 3.74 H new ATOM 0 HA3 GLY A 1 9.314 -29.346 -0.260 1.00 3.74 H new ATOM 10 N SER A 2 9.851 -26.989 -1.092 1.00 3.34 N ATOM 11 CA SER A 2 10.329 -25.601 -1.419 1.00 3.23 C ATOM 12 C SER A 2 9.158 -24.663 -1.750 1.00 2.84 C ATOM 13 O SER A 2 8.408 -24.893 -2.679 1.00 2.56 O ATOM 14 CB SER A 2 11.242 -25.762 -2.641 1.00 3.35 C ATOM 15 OG SER A 2 11.680 -24.475 -3.079 1.00 3.32 O ATOM 0 H SER A 2 10.152 -27.713 -1.744 1.00 3.34 H new ATOM 0 HA SER A 2 10.847 -25.155 -0.570 1.00 3.23 H new ATOM 0 HB2 SER A 2 12.101 -26.384 -2.388 1.00 3.35 H new ATOM 0 HB3 SER A 2 10.707 -26.269 -3.444 1.00 3.35 H new ATOM 0 HG SER A 2 12.384 -24.581 -3.752 1.00 3.32 H new ATOM 21 N MET A 3 9.013 -23.587 -1.012 1.00 2.92 N ATOM 22 CA MET A 3 7.909 -22.615 -1.303 1.00 2.70 C ATOM 23 C MET A 3 8.352 -21.695 -2.449 1.00 2.54 C ATOM 24 O MET A 3 8.568 -20.509 -2.276 1.00 2.70 O ATOM 25 CB MET A 3 7.699 -21.823 -0.004 1.00 3.09 C ATOM 26 CG MET A 3 6.936 -22.684 1.016 1.00 3.35 C ATOM 27 SD MET A 3 5.276 -22.009 1.273 1.00 3.80 S ATOM 28 CE MET A 3 4.814 -23.026 2.704 1.00 4.41 C ATOM 0 H MET A 3 9.610 -23.340 -0.223 1.00 2.92 H new ATOM 0 HA MET A 3 6.983 -23.102 -1.609 1.00 2.70 H new ATOM 0 HB2 MET A 3 8.662 -21.523 0.409 1.00 3.09 H new ATOM 0 HB3 MET A 3 7.142 -20.909 -0.211 1.00 3.09 H new ATOM 0 HG2 MET A 3 6.869 -23.712 0.659 1.00 3.35 H new ATOM 0 HG3 MET A 3 7.478 -22.709 1.961 1.00 3.35 H new ATOM 0 HE1 MET A 3 3.806 -22.764 3.027 1.00 4.41 H new ATOM 0 HE2 MET A 3 4.844 -24.080 2.426 1.00 4.41 H new ATOM 0 HE3 MET A 3 5.514 -22.846 3.520 1.00 4.41 H new ATOM 38 N SER A 4 8.520 -22.256 -3.615 1.00 2.37 N ATOM 39 CA SER A 4 8.981 -21.457 -4.789 1.00 2.47 C ATOM 40 C SER A 4 8.448 -22.070 -6.088 1.00 2.37 C ATOM 41 O SER A 4 7.610 -21.500 -6.760 1.00 2.38 O ATOM 42 CB SER A 4 10.511 -21.536 -4.716 1.00 2.80 C ATOM 43 OG SER A 4 10.934 -22.886 -4.928 1.00 2.89 O ATOM 0 H SER A 4 8.356 -23.244 -3.808 1.00 2.37 H new ATOM 0 HA SER A 4 8.625 -20.427 -4.774 1.00 2.47 H new ATOM 0 HB2 SER A 4 10.955 -20.883 -5.468 1.00 2.80 H new ATOM 0 HB3 SER A 4 10.857 -21.184 -3.744 1.00 2.80 H new ATOM 0 HG SER A 4 10.988 -23.351 -4.067 1.00 2.89 H new ATOM 49 N ILE A 5 8.928 -23.228 -6.436 1.00 2.46 N ATOM 50 CA ILE A 5 8.460 -23.904 -7.680 1.00 2.54 C ATOM 51 C ILE A 5 7.395 -24.971 -7.352 1.00 2.25 C ATOM 52 O ILE A 5 6.889 -25.043 -6.244 1.00 2.01 O ATOM 53 CB ILE A 5 9.717 -24.534 -8.323 1.00 2.96 C ATOM 54 CG1 ILE A 5 10.591 -25.279 -7.295 1.00 3.01 C ATOM 55 CG2 ILE A 5 10.564 -23.431 -8.959 1.00 3.34 C ATOM 56 CD1 ILE A 5 9.812 -26.426 -6.650 1.00 2.81 C ATOM 0 H ILE A 5 9.632 -23.743 -5.908 1.00 2.46 H new ATOM 0 HA ILE A 5 7.985 -23.202 -8.366 1.00 2.54 H new ATOM 0 HB ILE A 5 9.374 -25.253 -9.066 1.00 2.96 H new ATOM 0 HG12 ILE A 5 11.483 -25.669 -7.784 1.00 3.01 H new ATOM 0 HG13 ILE A 5 10.928 -24.584 -6.526 1.00 3.01 H new ATOM 0 HG21 ILE A 5 11.452 -23.871 -9.414 1.00 3.34 H new ATOM 0 HG22 ILE A 5 9.980 -22.919 -9.724 1.00 3.34 H new ATOM 0 HG23 ILE A 5 10.865 -22.716 -8.193 1.00 3.34 H new ATOM 0 HD11 ILE A 5 10.449 -26.938 -5.928 1.00 2.81 H new ATOM 0 HD12 ILE A 5 8.934 -26.029 -6.142 1.00 2.81 H new ATOM 0 HD13 ILE A 5 9.498 -27.131 -7.420 1.00 2.81 H new ATOM 68 N MET A 6 7.043 -25.791 -8.310 1.00 2.38 N ATOM 69 CA MET A 6 6.002 -26.841 -8.060 1.00 2.19 C ATOM 70 C MET A 6 6.631 -28.126 -7.471 1.00 2.22 C ATOM 71 O MET A 6 6.520 -29.199 -8.034 1.00 2.48 O ATOM 72 CB MET A 6 5.369 -27.107 -9.439 1.00 2.56 C ATOM 73 CG MET A 6 3.867 -26.773 -9.406 1.00 2.68 C ATOM 74 SD MET A 6 3.364 -26.039 -10.988 1.00 3.20 S ATOM 75 CE MET A 6 3.089 -27.573 -11.916 1.00 3.39 C ATOM 0 H MET A 6 7.429 -25.781 -9.254 1.00 2.38 H new ATOM 0 HA MET A 6 5.262 -26.516 -7.329 1.00 2.19 H new ATOM 0 HB2 MET A 6 5.867 -26.504 -10.198 1.00 2.56 H new ATOM 0 HB3 MET A 6 5.511 -28.151 -9.717 1.00 2.56 H new ATOM 0 HG2 MET A 6 3.289 -27.677 -9.214 1.00 2.68 H new ATOM 0 HG3 MET A 6 3.657 -26.081 -8.591 1.00 2.68 H new ATOM 0 HE1 MET A 6 2.769 -27.333 -12.930 1.00 3.39 H new ATOM 0 HE2 MET A 6 4.015 -28.146 -11.954 1.00 3.39 H new ATOM 0 HE3 MET A 6 2.317 -28.163 -11.422 1.00 3.39 H new ATOM 85 N ASP A 7 7.270 -28.024 -6.326 1.00 2.13 N ATOM 86 CA ASP A 7 7.881 -29.242 -5.681 1.00 2.41 C ATOM 87 C ASP A 7 6.770 -30.131 -5.089 1.00 2.27 C ATOM 88 O ASP A 7 6.928 -31.331 -4.951 1.00 2.52 O ATOM 89 CB ASP A 7 8.821 -28.699 -4.576 1.00 2.64 C ATOM 90 CG ASP A 7 8.210 -28.895 -3.185 1.00 2.80 C ATOM 91 OD1 ASP A 7 7.491 -28.020 -2.747 1.00 2.97 O ATOM 92 OD2 ASP A 7 8.483 -29.914 -2.571 1.00 3.04 O ATOM 0 H ASP A 7 7.396 -27.154 -5.809 1.00 2.13 H new ATOM 0 HA ASP A 7 8.432 -29.859 -6.391 1.00 2.41 H new ATOM 0 HB2 ASP A 7 9.782 -29.210 -4.629 1.00 2.64 H new ATOM 0 HB3 ASP A 7 9.013 -27.640 -4.746 1.00 2.64 H new ATOM 97 N HIS A 8 5.652 -29.538 -4.733 1.00 1.98 N ATOM 98 CA HIS A 8 4.516 -30.316 -4.147 1.00 2.01 C ATOM 99 C HIS A 8 3.185 -29.856 -4.784 1.00 1.75 C ATOM 100 O HIS A 8 2.377 -29.216 -4.140 1.00 1.78 O ATOM 101 CB HIS A 8 4.544 -29.966 -2.648 1.00 2.28 C ATOM 102 CG HIS A 8 5.092 -31.119 -1.846 1.00 2.76 C ATOM 103 ND1 HIS A 8 6.349 -31.655 -2.080 1.00 3.10 N ATOM 104 CD2 HIS A 8 4.569 -31.836 -0.798 1.00 3.06 C ATOM 105 CE1 HIS A 8 6.537 -32.650 -1.192 1.00 3.51 C ATOM 106 NE2 HIS A 8 5.483 -32.801 -0.387 1.00 3.50 N ATOM 0 H HIS A 8 5.479 -28.537 -4.826 1.00 1.98 H new ATOM 0 HA HIS A 8 4.602 -31.389 -4.321 1.00 2.01 H new ATOM 0 HB2 HIS A 8 5.157 -29.079 -2.487 1.00 2.28 H new ATOM 0 HB3 HIS A 8 3.538 -29.724 -2.306 1.00 2.28 H new ATOM 0 HD1 HIS A 8 7.011 -31.351 -2.794 1.00 3.10 H new ATOM 0 HD2 HIS A 8 3.595 -31.675 -0.359 1.00 3.06 H new ATOM 0 HE1 HIS A 8 7.432 -33.252 -1.138 1.00 3.51 H new ATOM 114 N SER A 9 2.964 -30.171 -6.051 1.00 1.69 N ATOM 115 CA SER A 9 1.691 -29.746 -6.759 1.00 1.70 C ATOM 116 C SER A 9 1.717 -28.226 -7.052 1.00 1.65 C ATOM 117 O SER A 9 2.647 -27.543 -6.665 1.00 1.53 O ATOM 118 CB SER A 9 0.533 -30.119 -5.807 1.00 1.86 C ATOM 119 OG SER A 9 -0.177 -28.945 -5.414 1.00 1.95 O ATOM 0 H SER A 9 3.612 -30.706 -6.629 1.00 1.69 H new ATOM 0 HA SER A 9 1.577 -30.242 -7.723 1.00 1.70 H new ATOM 0 HB2 SER A 9 -0.145 -30.815 -6.302 1.00 1.86 H new ATOM 0 HB3 SER A 9 0.925 -30.628 -4.927 1.00 1.86 H new ATOM 0 HG SER A 9 0.209 -28.591 -4.585 1.00 1.95 H new ATOM 125 N PRO A 10 0.693 -27.734 -7.727 1.00 1.86 N ATOM 126 CA PRO A 10 0.626 -26.277 -8.045 1.00 1.96 C ATOM 127 C PRO A 10 0.359 -25.442 -6.772 1.00 1.90 C ATOM 128 O PRO A 10 0.454 -24.226 -6.786 1.00 1.98 O ATOM 129 CB PRO A 10 -0.538 -26.180 -9.034 1.00 2.35 C ATOM 130 CG PRO A 10 -1.394 -27.373 -8.747 1.00 2.39 C ATOM 131 CD PRO A 10 -0.477 -28.462 -8.246 1.00 2.13 C ATOM 0 HA PRO A 10 1.558 -25.886 -8.454 1.00 1.96 H new ATOM 0 HB2 PRO A 10 -1.095 -25.253 -8.897 1.00 2.35 H new ATOM 0 HB3 PRO A 10 -0.182 -26.189 -10.064 1.00 2.35 H new ATOM 0 HG2 PRO A 10 -2.152 -27.134 -8.001 1.00 2.39 H new ATOM 0 HG3 PRO A 10 -1.921 -27.695 -9.645 1.00 2.39 H new ATOM 0 HD2 PRO A 10 -0.954 -29.058 -7.468 1.00 2.13 H new ATOM 0 HD3 PRO A 10 -0.198 -29.148 -9.046 1.00 2.13 H new ATOM 139 N THR A 11 0.036 -26.088 -5.674 1.00 1.87 N ATOM 140 CA THR A 11 -0.233 -25.356 -4.393 1.00 1.99 C ATOM 141 C THR A 11 0.993 -24.542 -3.950 1.00 1.79 C ATOM 142 O THR A 11 0.865 -23.404 -3.537 1.00 1.85 O ATOM 143 CB THR A 11 -0.553 -26.452 -3.363 1.00 2.15 C ATOM 144 OG1 THR A 11 0.335 -27.550 -3.534 1.00 2.05 O ATOM 145 CG2 THR A 11 -1.990 -26.939 -3.556 1.00 2.42 C ATOM 0 H THR A 11 -0.053 -27.102 -5.611 1.00 1.87 H new ATOM 0 HA THR A 11 -1.050 -24.643 -4.503 1.00 1.99 H new ATOM 0 HB THR A 11 -0.436 -26.039 -2.361 1.00 2.15 H new ATOM 0 HG1 THR A 11 0.127 -28.245 -2.875 1.00 2.05 H new ATOM 0 HG21 THR A 11 -2.212 -27.716 -2.824 1.00 2.42 H new ATOM 0 HG22 THR A 11 -2.678 -26.105 -3.420 1.00 2.42 H new ATOM 0 HG23 THR A 11 -2.105 -27.344 -4.561 1.00 2.42 H new ATOM 153 N THR A 12 2.178 -25.110 -4.037 1.00 1.61 N ATOM 154 CA THR A 12 3.414 -24.354 -3.621 1.00 1.52 C ATOM 155 C THR A 12 3.526 -23.046 -4.416 1.00 1.38 C ATOM 156 O THR A 12 3.919 -22.019 -3.890 1.00 1.38 O ATOM 157 CB THR A 12 4.618 -25.278 -3.914 1.00 1.48 C ATOM 158 OG1 THR A 12 4.187 -26.438 -4.615 1.00 2.03 O ATOM 159 CG2 THR A 12 5.264 -25.714 -2.602 1.00 1.81 C ATOM 0 H THR A 12 2.344 -26.058 -4.375 1.00 1.61 H new ATOM 0 HA THR A 12 3.380 -24.089 -2.564 1.00 1.52 H new ATOM 0 HB THR A 12 5.337 -24.728 -4.521 1.00 1.48 H new ATOM 0 HG1 THR A 12 3.876 -27.111 -3.974 1.00 2.03 H new ATOM 0 HG21 THR A 12 6.112 -26.365 -2.813 1.00 1.81 H new ATOM 0 HG22 THR A 12 5.608 -24.835 -2.056 1.00 1.81 H new ATOM 0 HG23 THR A 12 4.534 -26.253 -1.999 1.00 1.81 H new ATOM 167 N GLY A 13 3.159 -23.072 -5.671 1.00 1.33 N ATOM 168 CA GLY A 13 3.212 -21.830 -6.506 1.00 1.33 C ATOM 169 C GLY A 13 2.101 -20.883 -6.052 1.00 1.41 C ATOM 170 O GLY A 13 2.346 -19.730 -5.745 1.00 1.39 O ATOM 0 H GLY A 13 2.823 -23.903 -6.158 1.00 1.33 H new ATOM 0 HA2 GLY A 13 4.184 -21.348 -6.404 1.00 1.33 H new ATOM 0 HA3 GLY A 13 3.089 -22.078 -7.560 1.00 1.33 H new ATOM 174 N VAL A 14 0.884 -21.372 -5.982 1.00 1.55 N ATOM 175 CA VAL A 14 -0.257 -20.517 -5.520 1.00 1.73 C ATOM 176 C VAL A 14 0.073 -19.918 -4.142 1.00 1.68 C ATOM 177 O VAL A 14 -0.203 -18.763 -3.875 1.00 1.73 O ATOM 178 CB VAL A 14 -1.462 -21.468 -5.435 1.00 1.98 C ATOM 179 CG1 VAL A 14 -2.628 -20.784 -4.709 1.00 2.34 C ATOM 180 CG2 VAL A 14 -1.910 -21.859 -6.848 1.00 2.30 C ATOM 0 H VAL A 14 0.632 -22.330 -6.226 1.00 1.55 H new ATOM 0 HA VAL A 14 -0.458 -19.682 -6.191 1.00 1.73 H new ATOM 0 HB VAL A 14 -1.167 -22.359 -4.880 1.00 1.98 H new ATOM 0 HG11 VAL A 14 -3.475 -21.468 -4.656 1.00 2.34 H new ATOM 0 HG12 VAL A 14 -2.318 -20.510 -3.700 1.00 2.34 H new ATOM 0 HG13 VAL A 14 -2.920 -19.887 -5.255 1.00 2.34 H new ATOM 0 HG21 VAL A 14 -2.764 -22.533 -6.785 1.00 2.30 H new ATOM 0 HG22 VAL A 14 -2.194 -20.963 -7.400 1.00 2.30 H new ATOM 0 HG23 VAL A 14 -1.090 -22.359 -7.364 1.00 2.30 H new ATOM 190 N VAL A 15 0.687 -20.685 -3.274 1.00 1.65 N ATOM 191 CA VAL A 15 1.056 -20.142 -1.928 1.00 1.70 C ATOM 192 C VAL A 15 2.194 -19.128 -2.083 1.00 1.51 C ATOM 193 O VAL A 15 2.180 -18.064 -1.489 1.00 1.56 O ATOM 194 CB VAL A 15 1.500 -21.360 -1.100 1.00 1.82 C ATOM 195 CG1 VAL A 15 2.285 -20.895 0.132 1.00 1.95 C ATOM 196 CG2 VAL A 15 0.267 -22.145 -0.641 1.00 2.05 C ATOM 0 H VAL A 15 0.947 -21.658 -3.437 1.00 1.65 H new ATOM 0 HA VAL A 15 0.230 -19.623 -1.442 1.00 1.70 H new ATOM 0 HB VAL A 15 2.135 -21.996 -1.717 1.00 1.82 H new ATOM 0 HG11 VAL A 15 2.596 -21.763 0.714 1.00 1.95 H new ATOM 0 HG12 VAL A 15 3.165 -20.337 -0.187 1.00 1.95 H new ATOM 0 HG13 VAL A 15 1.652 -20.254 0.746 1.00 1.95 H new ATOM 0 HG21 VAL A 15 0.583 -23.008 -0.054 1.00 2.05 H new ATOM 0 HG22 VAL A 15 -0.366 -21.503 -0.029 1.00 2.05 H new ATOM 0 HG23 VAL A 15 -0.294 -22.484 -1.512 1.00 2.05 H new ATOM 206 N THR A 16 3.167 -19.450 -2.893 1.00 1.35 N ATOM 207 CA THR A 16 4.315 -18.513 -3.120 1.00 1.26 C ATOM 208 C THR A 16 3.803 -17.183 -3.677 1.00 1.21 C ATOM 209 O THR A 16 4.117 -16.125 -3.164 1.00 1.22 O ATOM 210 CB THR A 16 5.232 -19.216 -4.131 1.00 1.22 C ATOM 211 OG1 THR A 16 5.716 -20.427 -3.565 1.00 1.28 O ATOM 212 CG2 THR A 16 6.419 -18.314 -4.475 1.00 1.31 C ATOM 0 H THR A 16 3.219 -20.326 -3.412 1.00 1.35 H new ATOM 0 HA THR A 16 4.848 -18.286 -2.197 1.00 1.26 H new ATOM 0 HB THR A 16 4.666 -19.429 -5.038 1.00 1.22 H new ATOM 0 HG1 THR A 16 5.333 -21.189 -4.047 1.00 1.28 H new ATOM 0 HG21 THR A 16 7.065 -18.820 -5.193 1.00 1.31 H new ATOM 0 HG22 THR A 16 6.055 -17.383 -4.908 1.00 1.31 H new ATOM 0 HG23 THR A 16 6.985 -18.096 -3.569 1.00 1.31 H new ATOM 220 N VAL A 17 3.006 -17.230 -4.713 1.00 1.25 N ATOM 221 CA VAL A 17 2.463 -15.964 -5.295 1.00 1.33 C ATOM 222 C VAL A 17 1.503 -15.291 -4.298 1.00 1.41 C ATOM 223 O VAL A 17 1.463 -14.081 -4.206 1.00 1.43 O ATOM 224 CB VAL A 17 1.746 -16.356 -6.597 1.00 1.50 C ATOM 225 CG1 VAL A 17 2.735 -17.016 -7.562 1.00 1.50 C ATOM 226 CG2 VAL A 17 0.598 -17.327 -6.311 1.00 1.62 C ATOM 0 H VAL A 17 2.708 -18.086 -5.180 1.00 1.25 H new ATOM 0 HA VAL A 17 3.253 -15.242 -5.501 1.00 1.33 H new ATOM 0 HB VAL A 17 1.341 -15.450 -7.048 1.00 1.50 H new ATOM 0 HG11 VAL A 17 2.218 -17.290 -8.482 1.00 1.50 H new ATOM 0 HG12 VAL A 17 3.540 -16.318 -7.792 1.00 1.50 H new ATOM 0 HG13 VAL A 17 3.152 -17.911 -7.100 1.00 1.50 H new ATOM 0 HG21 VAL A 17 0.104 -17.592 -7.246 1.00 1.62 H new ATOM 0 HG22 VAL A 17 0.992 -18.228 -5.841 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -0.121 -16.854 -5.642 1.00 1.62 H new ATOM 236 N ILE A 18 0.752 -16.053 -3.530 1.00 1.52 N ATOM 237 CA ILE A 18 -0.169 -15.418 -2.528 1.00 1.68 C ATOM 238 C ILE A 18 0.652 -14.750 -1.428 1.00 1.59 C ATOM 239 O ILE A 18 0.353 -13.649 -1.017 1.00 1.62 O ATOM 240 CB ILE A 18 -1.041 -16.559 -1.980 1.00 1.89 C ATOM 241 CG1 ILE A 18 -2.190 -16.841 -2.959 1.00 2.07 C ATOM 242 CG2 ILE A 18 -1.625 -16.173 -0.617 1.00 2.08 C ATOM 243 CD1 ILE A 18 -3.103 -15.615 -3.068 1.00 2.24 C ATOM 0 H ILE A 18 0.737 -17.073 -3.553 1.00 1.52 H new ATOM 0 HA ILE A 18 -0.794 -14.640 -2.967 1.00 1.68 H new ATOM 0 HB ILE A 18 -0.423 -17.450 -1.865 1.00 1.89 H new ATOM 0 HG12 ILE A 18 -1.788 -17.093 -3.940 1.00 2.07 H new ATOM 0 HG13 ILE A 18 -2.764 -17.703 -2.619 1.00 2.07 H new ATOM 0 HG21 ILE A 18 -2.240 -16.990 -0.240 1.00 2.08 H new ATOM 0 HG22 ILE A 18 -0.814 -15.977 0.084 1.00 2.08 H new ATOM 0 HG23 ILE A 18 -2.237 -15.277 -0.724 1.00 2.08 H new ATOM 0 HD11 ILE A 18 -3.914 -15.826 -3.765 1.00 2.24 H new ATOM 0 HD12 ILE A 18 -3.518 -15.382 -2.087 1.00 2.24 H new ATOM 0 HD13 ILE A 18 -2.527 -14.763 -3.429 1.00 2.24 H new ATOM 255 N VAL A 19 1.700 -15.380 -0.979 1.00 1.53 N ATOM 256 CA VAL A 19 2.557 -14.738 0.067 1.00 1.54 C ATOM 257 C VAL A 19 3.199 -13.483 -0.540 1.00 1.39 C ATOM 258 O VAL A 19 3.207 -12.423 0.061 1.00 1.44 O ATOM 259 CB VAL A 19 3.622 -15.784 0.439 1.00 1.57 C ATOM 260 CG1 VAL A 19 4.741 -15.120 1.247 1.00 1.65 C ATOM 261 CG2 VAL A 19 2.983 -16.889 1.288 1.00 1.78 C ATOM 0 H VAL A 19 2.003 -16.305 -1.285 1.00 1.53 H new ATOM 0 HA VAL A 19 1.998 -14.436 0.953 1.00 1.54 H new ATOM 0 HB VAL A 19 4.034 -16.211 -0.475 1.00 1.57 H new ATOM 0 HG11 VAL A 19 5.493 -15.865 1.508 1.00 1.65 H new ATOM 0 HG12 VAL A 19 5.202 -14.333 0.651 1.00 1.65 H new ATOM 0 HG13 VAL A 19 4.326 -14.689 2.158 1.00 1.65 H new ATOM 0 HG21 VAL A 19 3.739 -17.629 1.551 1.00 1.78 H new ATOM 0 HG22 VAL A 19 2.569 -16.455 2.198 1.00 1.78 H new ATOM 0 HG23 VAL A 19 2.187 -17.370 0.720 1.00 1.78 H new ATOM 271 N ILE A 20 3.706 -13.592 -1.746 1.00 1.25 N ATOM 272 CA ILE A 20 4.316 -12.406 -2.423 1.00 1.19 C ATOM 273 C ILE A 20 3.245 -11.330 -2.606 1.00 1.24 C ATOM 274 O ILE A 20 3.453 -10.173 -2.288 1.00 1.24 O ATOM 275 CB ILE A 20 4.824 -12.933 -3.777 1.00 1.16 C ATOM 276 CG1 ILE A 20 6.044 -13.841 -3.557 1.00 1.23 C ATOM 277 CG2 ILE A 20 5.217 -11.768 -4.693 1.00 1.24 C ATOM 278 CD1 ILE A 20 7.217 -13.028 -3.000 1.00 1.42 C ATOM 0 H ILE A 20 3.723 -14.454 -2.291 1.00 1.25 H new ATOM 0 HA ILE A 20 5.128 -11.955 -1.852 1.00 1.19 H new ATOM 0 HB ILE A 20 4.023 -13.502 -4.250 1.00 1.16 H new ATOM 0 HG12 ILE A 20 5.788 -14.644 -2.866 1.00 1.23 H new ATOM 0 HG13 ILE A 20 6.332 -14.310 -4.498 1.00 1.23 H new ATOM 0 HG21 ILE A 20 5.574 -12.159 -5.646 1.00 1.24 H new ATOM 0 HG22 ILE A 20 4.349 -11.131 -4.864 1.00 1.24 H new ATOM 0 HG23 ILE A 20 6.008 -11.185 -4.221 1.00 1.24 H new ATOM 0 HD11 ILE A 20 8.075 -13.683 -2.849 1.00 1.42 H new ATOM 0 HD12 ILE A 20 7.482 -12.241 -3.706 1.00 1.42 H new ATOM 0 HD13 ILE A 20 6.930 -12.580 -2.048 1.00 1.42 H new ATOM 290 N LEU A 21 2.091 -11.713 -3.087 1.00 1.34 N ATOM 291 CA LEU A 21 0.978 -10.729 -3.262 1.00 1.48 C ATOM 292 C LEU A 21 0.622 -10.136 -1.896 1.00 1.53 C ATOM 293 O LEU A 21 0.547 -8.930 -1.736 1.00 1.55 O ATOM 294 CB LEU A 21 -0.197 -11.533 -3.836 1.00 1.65 C ATOM 295 CG LEU A 21 -0.091 -11.588 -5.362 1.00 1.73 C ATOM 296 CD1 LEU A 21 -0.938 -12.748 -5.891 1.00 1.92 C ATOM 297 CD2 LEU A 21 -0.605 -10.275 -5.953 1.00 1.94 C ATOM 0 H LEU A 21 1.869 -12.668 -3.368 1.00 1.34 H new ATOM 0 HA LEU A 21 1.242 -9.903 -3.923 1.00 1.48 H new ATOM 0 HB2 LEU A 21 -0.194 -12.543 -3.425 1.00 1.65 H new ATOM 0 HB3 LEU A 21 -1.141 -11.073 -3.544 1.00 1.65 H new ATOM 0 HG LEU A 21 0.950 -11.737 -5.649 1.00 1.73 H new ATOM 0 HD11 LEU A 21 -0.863 -12.787 -6.978 1.00 1.92 H new ATOM 0 HD12 LEU A 21 -0.576 -13.685 -5.468 1.00 1.92 H new ATOM 0 HD13 LEU A 21 -1.979 -12.599 -5.605 1.00 1.92 H new ATOM 0 HD21 LEU A 21 -0.531 -10.311 -7.040 1.00 1.94 H new ATOM 0 HD22 LEU A 21 -1.646 -10.129 -5.665 1.00 1.94 H new ATOM 0 HD23 LEU A 21 -0.005 -9.447 -5.576 1.00 1.94 H new ATOM 309 N ILE A 22 0.430 -10.977 -0.901 1.00 1.58 N ATOM 310 CA ILE A 22 0.113 -10.454 0.466 1.00 1.69 C ATOM 311 C ILE A 22 1.221 -9.494 0.913 1.00 1.58 C ATOM 312 O ILE A 22 0.959 -8.427 1.438 1.00 1.63 O ATOM 313 CB ILE A 22 0.051 -11.692 1.376 1.00 1.82 C ATOM 314 CG1 ILE A 22 -1.315 -12.371 1.225 1.00 2.02 C ATOM 315 CG2 ILE A 22 0.245 -11.283 2.843 1.00 1.97 C ATOM 316 CD1 ILE A 22 -1.294 -13.732 1.929 1.00 2.14 C ATOM 0 H ILE A 22 0.479 -11.993 -0.978 1.00 1.58 H new ATOM 0 HA ILE A 22 -0.825 -9.900 0.497 1.00 1.69 H new ATOM 0 HB ILE A 22 0.845 -12.380 1.085 1.00 1.82 H new ATOM 0 HG12 ILE A 22 -2.095 -11.741 1.653 1.00 2.02 H new ATOM 0 HG13 ILE A 22 -1.553 -12.500 0.169 1.00 2.02 H new ATOM 0 HG21 ILE A 22 0.199 -12.169 3.477 1.00 1.97 H new ATOM 0 HG22 ILE A 22 1.216 -10.802 2.961 1.00 1.97 H new ATOM 0 HG23 ILE A 22 -0.542 -10.587 3.134 1.00 1.97 H new ATOM 0 HD11 ILE A 22 -2.266 -14.213 1.820 1.00 2.14 H new ATOM 0 HD12 ILE A 22 -0.526 -14.362 1.481 1.00 2.14 H new ATOM 0 HD13 ILE A 22 -1.075 -13.591 2.987 1.00 2.14 H new ATOM 328 N ALA A 23 2.458 -9.864 0.689 1.00 1.45 N ATOM 329 CA ALA A 23 3.596 -8.974 1.081 1.00 1.41 C ATOM 330 C ALA A 23 3.551 -7.672 0.274 1.00 1.32 C ATOM 331 O ALA A 23 3.674 -6.594 0.825 1.00 1.35 O ATOM 332 CB ALA A 23 4.863 -9.773 0.764 1.00 1.38 C ATOM 0 H ALA A 23 2.729 -10.744 0.251 1.00 1.45 H new ATOM 0 HA ALA A 23 3.556 -8.692 2.133 1.00 1.41 H new ATOM 0 HB1 ALA A 23 5.741 -9.182 1.026 1.00 1.38 H new ATOM 0 HB2 ALA A 23 4.863 -10.698 1.340 1.00 1.38 H new ATOM 0 HB3 ALA A 23 4.888 -10.008 -0.300 1.00 1.38 H new ATOM 338 N ILE A 24 3.349 -7.761 -1.021 1.00 1.27 N ATOM 339 CA ILE A 24 3.265 -6.518 -1.854 1.00 1.28 C ATOM 340 C ILE A 24 2.113 -5.649 -1.333 1.00 1.37 C ATOM 341 O ILE A 24 2.271 -4.465 -1.107 1.00 1.38 O ATOM 342 CB ILE A 24 2.984 -7.000 -3.287 1.00 1.33 C ATOM 343 CG1 ILE A 24 4.272 -7.543 -3.911 1.00 1.33 C ATOM 344 CG2 ILE A 24 2.465 -5.837 -4.144 1.00 1.51 C ATOM 345 CD1 ILE A 24 3.931 -8.328 -5.180 1.00 1.44 C ATOM 0 H ILE A 24 3.239 -8.636 -1.534 1.00 1.27 H new ATOM 0 HA ILE A 24 4.176 -5.920 -1.816 1.00 1.28 H new ATOM 0 HB ILE A 24 2.231 -7.787 -3.250 1.00 1.33 H new ATOM 0 HG12 ILE A 24 4.948 -6.722 -4.149 1.00 1.33 H new ATOM 0 HG13 ILE A 24 4.790 -8.187 -3.200 1.00 1.33 H new ATOM 0 HG21 ILE A 24 2.270 -6.190 -5.157 1.00 1.51 H new ATOM 0 HG22 ILE A 24 1.543 -5.449 -3.711 1.00 1.51 H new ATOM 0 HG23 ILE A 24 3.213 -5.045 -4.174 1.00 1.51 H new ATOM 0 HD11 ILE A 24 4.847 -8.715 -5.626 1.00 1.44 H new ATOM 0 HD12 ILE A 24 3.271 -9.158 -4.928 1.00 1.44 H new ATOM 0 HD13 ILE A 24 3.431 -7.670 -5.891 1.00 1.44 H new ATOM 357 N ALA A 25 0.960 -6.245 -1.125 1.00 1.47 N ATOM 358 CA ALA A 25 -0.207 -5.470 -0.602 1.00 1.61 C ATOM 359 C ALA A 25 0.116 -4.899 0.780 1.00 1.60 C ATOM 360 O ALA A 25 -0.134 -3.739 1.052 1.00 1.63 O ATOM 361 CB ALA A 25 -1.360 -6.477 -0.527 1.00 1.76 C ATOM 0 H ALA A 25 0.780 -7.234 -1.296 1.00 1.47 H new ATOM 0 HA ALA A 25 -0.460 -4.622 -1.239 1.00 1.61 H new ATOM 0 HB1 ALA A 25 -2.254 -5.979 -0.150 1.00 1.76 H new ATOM 0 HB2 ALA A 25 -1.559 -6.877 -1.521 1.00 1.76 H new ATOM 0 HB3 ALA A 25 -1.088 -7.292 0.144 1.00 1.76 H new ATOM 367 N ALA A 26 0.690 -5.695 1.642 1.00 1.59 N ATOM 368 CA ALA A 26 1.053 -5.187 3.000 1.00 1.64 C ATOM 369 C ALA A 26 2.047 -4.030 2.853 1.00 1.54 C ATOM 370 O ALA A 26 1.851 -2.963 3.405 1.00 1.57 O ATOM 371 CB ALA A 26 1.689 -6.378 3.723 1.00 1.69 C ATOM 0 H ALA A 26 0.923 -6.672 1.467 1.00 1.59 H new ATOM 0 HA ALA A 26 0.195 -4.808 3.556 1.00 1.64 H new ATOM 0 HB1 ALA A 26 1.981 -6.079 4.729 1.00 1.69 H new ATOM 0 HB2 ALA A 26 0.969 -7.194 3.782 1.00 1.69 H new ATOM 0 HB3 ALA A 26 2.570 -6.710 3.173 1.00 1.69 H new ATOM 377 N LEU A 27 3.090 -4.225 2.082 1.00 1.44 N ATOM 378 CA LEU A 27 4.077 -3.130 1.859 1.00 1.39 C ATOM 379 C LEU A 27 3.351 -1.916 1.263 1.00 1.36 C ATOM 380 O LEU A 27 3.524 -0.797 1.711 1.00 1.37 O ATOM 381 CB LEU A 27 5.096 -3.712 0.868 1.00 1.35 C ATOM 382 CG LEU A 27 5.973 -2.593 0.299 1.00 1.31 C ATOM 383 CD1 LEU A 27 7.442 -3.012 0.355 1.00 1.43 C ATOM 384 CD2 LEU A 27 5.579 -2.324 -1.155 1.00 1.27 C ATOM 0 H LEU A 27 3.298 -5.098 1.598 1.00 1.44 H new ATOM 0 HA LEU A 27 4.565 -2.796 2.774 1.00 1.39 H new ATOM 0 HB2 LEU A 27 5.718 -4.454 1.368 1.00 1.35 H new ATOM 0 HB3 LEU A 27 4.576 -4.225 0.059 1.00 1.35 H new ATOM 0 HG LEU A 27 5.830 -1.689 0.890 1.00 1.31 H new ATOM 0 HD11 LEU A 27 8.064 -2.214 -0.051 1.00 1.43 H new ATOM 0 HD12 LEU A 27 7.727 -3.204 1.390 1.00 1.43 H new ATOM 0 HD13 LEU A 27 7.585 -3.918 -0.234 1.00 1.43 H new ATOM 0 HD21 LEU A 27 6.203 -1.527 -1.560 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.720 -3.230 -1.744 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.532 -2.022 -1.199 1.00 1.27 H new ATOM 396 N GLY A 28 2.513 -2.135 0.271 1.00 1.36 N ATOM 397 CA GLY A 28 1.753 -1.001 -0.339 1.00 1.40 C ATOM 398 C GLY A 28 0.930 -0.307 0.750 1.00 1.45 C ATOM 399 O GLY A 28 0.934 0.906 0.861 1.00 1.44 O ATOM 0 H GLY A 28 2.326 -3.050 -0.139 1.00 1.36 H new ATOM 0 HA2 GLY A 28 2.441 -0.292 -0.800 1.00 1.40 H new ATOM 0 HA3 GLY A 28 1.098 -1.369 -1.129 1.00 1.40 H new ATOM 403 N ALA A 29 0.244 -1.071 1.570 1.00 1.52 N ATOM 404 CA ALA A 29 -0.563 -0.460 2.671 1.00 1.61 C ATOM 405 C ALA A 29 0.360 0.254 3.661 1.00 1.57 C ATOM 406 O ALA A 29 0.082 1.356 4.098 1.00 1.58 O ATOM 407 CB ALA A 29 -1.289 -1.633 3.336 1.00 1.76 C ATOM 0 H ALA A 29 0.210 -2.089 1.523 1.00 1.52 H new ATOM 0 HA ALA A 29 -1.268 0.287 2.307 1.00 1.61 H new ATOM 0 HB1 ALA A 29 -1.904 -1.263 4.157 1.00 1.76 H new ATOM 0 HB2 ALA A 29 -1.924 -2.131 2.603 1.00 1.76 H new ATOM 0 HB3 ALA A 29 -0.557 -2.342 3.722 1.00 1.76 H new ATOM 413 N LEU A 30 1.463 -0.358 3.994 1.00 1.55 N ATOM 414 CA LEU A 30 2.429 0.288 4.933 1.00 1.56 C ATOM 415 C LEU A 30 2.932 1.598 4.315 1.00 1.46 C ATOM 416 O LEU A 30 3.037 2.608 4.986 1.00 1.50 O ATOM 417 CB LEU A 30 3.570 -0.723 5.100 1.00 1.58 C ATOM 418 CG LEU A 30 3.201 -1.732 6.190 1.00 1.64 C ATOM 419 CD1 LEU A 30 3.959 -3.038 5.957 1.00 1.71 C ATOM 420 CD2 LEU A 30 3.582 -1.162 7.558 1.00 1.79 C ATOM 0 H LEU A 30 1.739 -1.280 3.656 1.00 1.55 H new ATOM 0 HA LEU A 30 1.984 0.536 5.897 1.00 1.56 H new ATOM 0 HB2 LEU A 30 3.753 -1.240 4.158 1.00 1.58 H new ATOM 0 HB3 LEU A 30 4.492 -0.206 5.365 1.00 1.58 H new ATOM 0 HG LEU A 30 2.129 -1.924 6.158 1.00 1.64 H new ATOM 0 HD11 LEU A 30 3.695 -3.755 6.734 1.00 1.71 H new ATOM 0 HD12 LEU A 30 3.692 -3.445 4.982 1.00 1.71 H new ATOM 0 HD13 LEU A 30 5.032 -2.847 5.989 1.00 1.71 H new ATOM 0 HD21 LEU A 30 3.320 -1.879 8.336 1.00 1.79 H new ATOM 0 HD22 LEU A 30 4.655 -0.971 7.587 1.00 1.79 H new ATOM 0 HD23 LEU A 30 3.043 -0.230 7.727 1.00 1.79 H new ATOM 432 N ILE A 31 3.209 1.596 3.030 1.00 1.35 N ATOM 433 CA ILE A 31 3.673 2.854 2.356 1.00 1.28 C ATOM 434 C ILE A 31 2.525 3.870 2.342 1.00 1.32 C ATOM 435 O ILE A 31 2.681 4.999 2.770 1.00 1.35 O ATOM 436 CB ILE A 31 4.051 2.448 0.924 1.00 1.17 C ATOM 437 CG1 ILE A 31 5.276 1.527 0.955 1.00 1.83 C ATOM 438 CG2 ILE A 31 4.381 3.703 0.101 1.00 1.58 C ATOM 439 CD1 ILE A 31 5.457 0.867 -0.417 1.00 1.73 C ATOM 0 H ILE A 31 3.134 0.781 2.421 1.00 1.35 H new ATOM 0 HA ILE A 31 4.519 3.312 2.869 1.00 1.28 H new ATOM 0 HB ILE A 31 3.212 1.923 0.468 1.00 1.17 H new ATOM 0 HG12 ILE A 31 6.167 2.098 1.215 1.00 1.83 H new ATOM 0 HG13 ILE A 31 5.151 0.764 1.723 1.00 1.83 H new ATOM 0 HG21 ILE A 31 4.649 3.412 -0.915 1.00 1.58 H new ATOM 0 HG22 ILE A 31 3.511 4.359 0.073 1.00 1.58 H new ATOM 0 HG23 ILE A 31 5.218 4.230 0.560 1.00 1.58 H new ATOM 0 HD11 ILE A 31 6.328 0.212 -0.394 1.00 1.73 H new ATOM 0 HD12 ILE A 31 4.570 0.282 -0.659 1.00 1.73 H new ATOM 0 HD13 ILE A 31 5.602 1.637 -1.175 1.00 1.73 H new ATOM 451 N LEU A 32 1.367 3.467 1.868 1.00 1.36 N ATOM 452 CA LEU A 32 0.196 4.402 1.840 1.00 1.44 C ATOM 453 C LEU A 32 -0.076 4.942 3.251 1.00 1.52 C ATOM 454 O LEU A 32 -0.279 6.128 3.441 1.00 1.55 O ATOM 455 CB LEU A 32 -0.984 3.554 1.347 1.00 1.56 C ATOM 456 CG LEU A 32 -2.045 4.463 0.721 1.00 1.76 C ATOM 457 CD1 LEU A 32 -2.126 4.190 -0.784 1.00 1.98 C ATOM 458 CD2 LEU A 32 -3.404 4.175 1.366 1.00 2.17 C ATOM 0 H LEU A 32 1.184 2.533 1.501 1.00 1.36 H new ATOM 0 HA LEU A 32 0.368 5.264 1.196 1.00 1.44 H new ATOM 0 HB2 LEU A 32 -0.639 2.824 0.615 1.00 1.56 H new ATOM 0 HB3 LEU A 32 -1.414 2.994 2.177 1.00 1.56 H new ATOM 0 HG LEU A 32 -1.776 5.506 0.887 1.00 1.76 H new ATOM 0 HD11 LEU A 32 -2.881 4.837 -1.231 1.00 1.98 H new ATOM 0 HD12 LEU A 32 -1.158 4.391 -1.243 1.00 1.98 H new ATOM 0 HD13 LEU A 32 -2.397 3.147 -0.951 1.00 1.98 H new ATOM 0 HD21 LEU A 32 -4.162 4.821 0.922 1.00 2.17 H new ATOM 0 HD22 LEU A 32 -3.673 3.132 1.198 1.00 2.17 H new ATOM 0 HD23 LEU A 32 -3.346 4.367 2.437 1.00 2.17 H new ATOM 470 N GLY A 33 -0.069 4.076 4.240 1.00 1.60 N ATOM 471 CA GLY A 33 -0.315 4.521 5.647 1.00 1.73 C ATOM 472 C GLY A 33 0.798 5.475 6.092 1.00 1.68 C ATOM 473 O GLY A 33 0.532 6.577 6.533 1.00 1.76 O ATOM 0 H GLY A 33 0.098 3.076 4.130 1.00 1.60 H new ATOM 0 HA2 GLY A 33 -1.282 5.018 5.717 1.00 1.73 H new ATOM 0 HA3 GLY A 33 -0.352 3.657 6.310 1.00 1.73 H new ATOM 477 N CYS A 34 2.042 5.066 5.975 1.00 1.61 N ATOM 478 CA CYS A 34 3.169 5.967 6.387 1.00 1.62 C ATOM 479 C CYS A 34 3.079 7.300 5.629 1.00 1.55 C ATOM 480 O CYS A 34 3.317 8.358 6.182 1.00 1.64 O ATOM 481 CB CYS A 34 4.454 5.218 6.015 1.00 1.57 C ATOM 482 SG CYS A 34 5.638 5.337 7.378 1.00 1.71 S ATOM 0 H CYS A 34 2.324 4.154 5.615 1.00 1.61 H new ATOM 0 HA CYS A 34 3.139 6.200 7.451 1.00 1.62 H new ATOM 0 HB2 CYS A 34 4.230 4.172 5.804 1.00 1.57 H new ATOM 0 HB3 CYS A 34 4.884 5.641 5.107 1.00 1.57 H new ATOM 0 HG CYS A 34 6.727 4.700 7.064 1.00 1.71 H new ATOM 488 N TRP A 35 2.730 7.256 4.366 1.00 1.45 N ATOM 489 CA TRP A 35 2.613 8.517 3.568 1.00 1.42 C ATOM 490 C TRP A 35 1.366 9.309 3.986 1.00 1.49 C ATOM 491 O TRP A 35 1.481 10.389 4.531 1.00 1.56 O ATOM 492 CB TRP A 35 2.513 8.052 2.113 1.00 1.37 C ATOM 493 CG TRP A 35 3.886 7.834 1.549 1.00 1.36 C ATOM 494 CD1 TRP A 35 4.137 7.452 0.276 1.00 1.43 C ATOM 495 CD2 TRP A 35 5.197 7.968 2.197 1.00 1.40 C ATOM 496 NE1 TRP A 35 5.502 7.348 0.101 1.00 1.47 N ATOM 497 CE2 TRP A 35 6.195 7.653 1.250 1.00 1.45 C ATOM 498 CE3 TRP A 35 5.616 8.326 3.498 1.00 1.53 C ATOM 499 CZ2 TRP A 35 7.551 7.693 1.568 1.00 1.56 C ATOM 500 CZ3 TRP A 35 6.982 8.365 3.821 1.00 1.68 C ATOM 501 CH2 TRP A 35 7.947 8.050 2.857 1.00 1.67 C ATOM 0 H TRP A 35 2.521 6.400 3.853 1.00 1.45 H new ATOM 0 HA TRP A 35 3.460 9.185 3.722 1.00 1.42 H new ATOM 0 HB2 TRP A 35 1.937 7.129 2.056 1.00 1.37 H new ATOM 0 HB3 TRP A 35 1.981 8.796 1.520 1.00 1.37 H new ATOM 0 HD1 TRP A 35 3.391 7.260 -0.481 1.00 1.43 H new ATOM 0 HE1 TRP A 35 5.945 7.077 -0.777 1.00 1.47 H new ATOM 0 HE3 TRP A 35 4.880 8.571 4.250 1.00 1.53 H new ATOM 0 HZ2 TRP A 35 8.291 7.449 0.821 1.00 1.56 H new ATOM 0 HZ3 TRP A 35 7.290 8.640 4.819 1.00 1.68 H new ATOM 0 HH2 TRP A 35 8.996 8.083 3.111 1.00 1.67 H new ATOM 512 N CYS A 36 0.186 8.772 3.746 1.00 1.53 N ATOM 513 CA CYS A 36 -1.095 9.466 4.131 1.00 1.64 C ATOM 514 C CYS A 36 -1.155 10.917 3.601 1.00 1.64 C ATOM 515 O CYS A 36 -1.834 11.204 2.629 1.00 1.68 O ATOM 516 CB CYS A 36 -1.117 9.431 5.665 1.00 1.75 C ATOM 517 SG CYS A 36 -2.722 10.017 6.263 1.00 2.12 S ATOM 0 H CYS A 36 0.054 7.868 3.292 1.00 1.53 H new ATOM 0 HA CYS A 36 -1.962 8.971 3.694 1.00 1.64 H new ATOM 0 HB2 CYS A 36 -0.934 8.416 6.018 1.00 1.75 H new ATOM 0 HB3 CYS A 36 -0.318 10.056 6.065 1.00 1.75 H new ATOM 0 HG CYS A 36 -2.739 9.984 7.562 1.00 2.12 H new ATOM 523 N TYR A 37 -0.454 11.830 4.226 1.00 1.66 N ATOM 524 CA TYR A 37 -0.464 13.254 3.763 1.00 1.74 C ATOM 525 C TYR A 37 0.782 13.559 2.908 1.00 1.59 C ATOM 526 O TYR A 37 0.766 14.461 2.094 1.00 1.68 O ATOM 527 CB TYR A 37 -0.452 14.087 5.048 1.00 1.94 C ATOM 528 CG TYR A 37 -1.693 14.959 5.115 1.00 2.20 C ATOM 529 CD1 TYR A 37 -1.713 16.209 4.479 1.00 2.51 C ATOM 530 CD2 TYR A 37 -2.825 14.521 5.819 1.00 2.60 C ATOM 531 CE1 TYR A 37 -2.858 17.018 4.550 1.00 3.02 C ATOM 532 CE2 TYR A 37 -3.968 15.334 5.890 1.00 3.11 C ATOM 533 CZ TYR A 37 -3.984 16.579 5.254 1.00 3.24 C ATOM 534 OH TYR A 37 -5.106 17.377 5.327 1.00 3.88 O ATOM 0 H TYR A 37 0.129 11.649 5.043 1.00 1.66 H new ATOM 0 HA TYR A 37 -1.330 13.474 3.138 1.00 1.74 H new ATOM 0 HB2 TYR A 37 -0.412 13.430 5.917 1.00 1.94 H new ATOM 0 HB3 TYR A 37 0.442 14.710 5.079 1.00 1.94 H new ATOM 0 HD1 TYR A 37 -0.845 16.550 3.933 1.00 2.51 H new ATOM 0 HD2 TYR A 37 -2.817 13.558 6.307 1.00 2.60 H new ATOM 0 HE1 TYR A 37 -2.869 17.981 4.060 1.00 3.02 H new ATOM 0 HE2 TYR A 37 -4.836 14.997 6.437 1.00 3.11 H new ATOM 0 HH TYR A 37 -5.797 16.922 5.852 1.00 3.88 H new ATOM 544 N LEU A 38 1.857 12.814 3.080 1.00 1.44 N ATOM 545 CA LEU A 38 3.094 13.069 2.264 1.00 1.35 C ATOM 546 C LEU A 38 2.956 12.443 0.870 1.00 1.23 C ATOM 547 O LEU A 38 3.249 13.071 -0.123 1.00 1.24 O ATOM 548 CB LEU A 38 4.250 12.414 3.038 1.00 1.38 C ATOM 549 CG LEU A 38 5.549 12.530 2.227 1.00 1.37 C ATOM 550 CD1 LEU A 38 5.977 13.996 2.144 1.00 1.53 C ATOM 551 CD2 LEU A 38 6.654 11.723 2.913 1.00 1.56 C ATOM 0 H LEU A 38 1.930 12.045 3.746 1.00 1.44 H new ATOM 0 HA LEU A 38 3.265 14.136 2.118 1.00 1.35 H new ATOM 0 HB2 LEU A 38 4.371 12.897 4.007 1.00 1.38 H new ATOM 0 HB3 LEU A 38 4.023 11.365 3.231 1.00 1.38 H new ATOM 0 HG LEU A 38 5.379 12.142 1.223 1.00 1.37 H new ATOM 0 HD11 LEU A 38 6.899 14.074 1.568 1.00 1.53 H new ATOM 0 HD12 LEU A 38 5.194 14.577 1.656 1.00 1.53 H new ATOM 0 HD13 LEU A 38 6.143 14.384 3.149 1.00 1.53 H new ATOM 0 HD21 LEU A 38 7.576 11.806 2.337 1.00 1.56 H new ATOM 0 HD22 LEU A 38 6.818 12.112 3.918 1.00 1.56 H new ATOM 0 HD23 LEU A 38 6.356 10.676 2.973 1.00 1.56 H new ATOM 563 N ARG A 39 2.510 11.213 0.813 1.00 1.23 N ATOM 564 CA ARG A 39 2.321 10.473 -0.492 1.00 1.24 C ATOM 565 C ARG A 39 3.245 10.978 -1.621 1.00 1.15 C ATOM 566 O ARG A 39 2.801 11.459 -2.646 1.00 1.27 O ATOM 567 CB ARG A 39 0.840 10.658 -0.850 1.00 1.46 C ATOM 568 CG ARG A 39 0.526 12.133 -1.138 1.00 1.53 C ATOM 569 CD ARG A 39 -0.400 12.691 -0.053 1.00 1.77 C ATOM 570 NE ARG A 39 -1.768 12.211 -0.421 1.00 2.01 N ATOM 571 CZ ARG A 39 -2.820 12.834 0.020 1.00 2.23 C ATOM 572 NH1 ARG A 39 -3.217 12.647 1.238 1.00 2.17 N ATOM 573 NH2 ARG A 39 -3.472 13.631 -0.763 1.00 2.61 N ATOM 0 H ARG A 39 2.259 10.668 1.638 1.00 1.23 H new ATOM 0 HA ARG A 39 2.591 9.423 -0.378 1.00 1.24 H new ATOM 0 HB2 ARG A 39 0.594 10.053 -1.723 1.00 1.46 H new ATOM 0 HB3 ARG A 39 0.216 10.303 -0.030 1.00 1.46 H new ATOM 0 HG2 ARG A 39 1.450 12.710 -1.172 1.00 1.53 H new ATOM 0 HG3 ARG A 39 0.054 12.229 -2.116 1.00 1.53 H new ATOM 0 HD2 ARG A 39 -0.110 12.333 0.935 1.00 1.77 H new ATOM 0 HD3 ARG A 39 -0.360 13.780 -0.022 1.00 1.77 H new ATOM 0 HE ARG A 39 -1.876 11.392 -1.020 1.00 2.01 H new ATOM 0 HH11 ARG A 39 -2.704 12.012 1.850 1.00 2.17 H new ATOM 0 HH12 ARG A 39 -4.042 13.135 1.586 1.00 2.17 H new ATOM 0 HH21 ARG A 39 -3.160 13.769 -1.724 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.298 14.121 -0.419 1.00 2.61 H new ATOM 587 N LEU A 40 4.532 10.834 -1.434 1.00 1.04 N ATOM 588 CA LEU A 40 5.534 11.261 -2.478 1.00 1.06 C ATOM 589 C LEU A 40 5.435 12.764 -2.828 1.00 1.22 C ATOM 590 O LEU A 40 5.997 13.202 -3.814 1.00 1.37 O ATOM 591 CB LEU A 40 5.214 10.404 -3.711 1.00 1.12 C ATOM 592 CG LEU A 40 6.472 9.670 -4.174 1.00 1.37 C ATOM 593 CD1 LEU A 40 6.400 8.208 -3.732 1.00 1.53 C ATOM 594 CD2 LEU A 40 6.566 9.740 -5.699 1.00 1.79 C ATOM 0 H LEU A 40 4.945 10.433 -0.592 1.00 1.04 H new ATOM 0 HA LEU A 40 6.551 11.119 -2.112 1.00 1.06 H new ATOM 0 HB2 LEU A 40 4.430 9.685 -3.472 1.00 1.12 H new ATOM 0 HB3 LEU A 40 4.834 11.035 -4.515 1.00 1.12 H new ATOM 0 HG LEU A 40 7.352 10.138 -3.733 1.00 1.37 H new ATOM 0 HD11 LEU A 40 7.297 7.684 -4.062 1.00 1.53 H new ATOM 0 HD12 LEU A 40 6.330 8.159 -2.645 1.00 1.53 H new ATOM 0 HD13 LEU A 40 5.522 7.737 -4.173 1.00 1.53 H new ATOM 0 HD21 LEU A 40 7.462 9.217 -6.033 1.00 1.79 H new ATOM 0 HD22 LEU A 40 5.687 9.270 -6.140 1.00 1.79 H new ATOM 0 HD23 LEU A 40 6.616 10.783 -6.013 1.00 1.79 H new ATOM 606 N GLN A 41 4.754 13.565 -2.038 1.00 1.34 N ATOM 607 CA GLN A 41 4.658 15.031 -2.355 1.00 1.67 C ATOM 608 C GLN A 41 5.926 15.782 -1.886 1.00 1.89 C ATOM 609 O GLN A 41 6.017 16.991 -1.998 1.00 2.27 O ATOM 610 CB GLN A 41 3.414 15.525 -1.599 1.00 1.83 C ATOM 611 CG GLN A 41 3.022 16.927 -2.093 1.00 2.15 C ATOM 612 CD GLN A 41 2.693 17.823 -0.897 1.00 2.38 C ATOM 613 OE1 GLN A 41 3.576 18.239 -0.169 1.00 2.57 O ATOM 614 NE2 GLN A 41 1.457 18.146 -0.658 1.00 2.82 N ATOM 0 H GLN A 41 4.264 13.271 -1.193 1.00 1.34 H new ATOM 0 HA GLN A 41 4.579 15.211 -3.427 1.00 1.67 H new ATOM 0 HB2 GLN A 41 2.587 14.832 -1.751 1.00 1.83 H new ATOM 0 HB3 GLN A 41 3.615 15.551 -0.528 1.00 1.83 H new ATOM 0 HG2 GLN A 41 3.838 17.361 -2.671 1.00 2.15 H new ATOM 0 HG3 GLN A 41 2.161 16.861 -2.758 1.00 2.15 H new ATOM 0 HE21 GLN A 41 0.713 17.801 -1.264 1.00 2.82 H new ATOM 0 HE22 GLN A 41 1.231 18.745 0.136 1.00 2.82 H new ATOM 623 N ARG A 42 6.910 15.080 -1.366 1.00 1.82 N ATOM 624 CA ARG A 42 8.164 15.757 -0.905 1.00 2.17 C ATOM 625 C ARG A 42 9.405 14.982 -1.387 1.00 2.12 C ATOM 626 O ARG A 42 9.955 15.281 -2.426 1.00 2.12 O ATOM 627 CB ARG A 42 8.063 15.771 0.621 1.00 2.40 C ATOM 628 CG ARG A 42 9.253 16.535 1.194 1.00 2.90 C ATOM 629 CD ARG A 42 8.753 17.706 2.050 1.00 3.25 C ATOM 630 NE ARG A 42 8.028 18.613 1.101 1.00 3.26 N ATOM 631 CZ ARG A 42 6.740 18.759 1.185 1.00 3.24 C ATOM 632 NH1 ARG A 42 6.221 19.331 2.226 1.00 3.64 N ATOM 633 NH2 ARG A 42 5.977 18.343 0.224 1.00 2.96 N ATOM 0 H ARG A 42 6.896 14.068 -1.242 1.00 1.82 H new ATOM 0 HA ARG A 42 8.268 16.765 -1.307 1.00 2.17 H new ATOM 0 HB2 ARG A 42 7.130 16.241 0.932 1.00 2.40 H new ATOM 0 HB3 ARG A 42 8.050 14.751 1.006 1.00 2.40 H new ATOM 0 HG2 ARG A 42 9.869 15.868 1.797 1.00 2.90 H new ATOM 0 HG3 ARG A 42 9.883 16.906 0.385 1.00 2.90 H new ATOM 0 HD2 ARG A 42 8.092 17.358 2.843 1.00 3.25 H new ATOM 0 HD3 ARG A 42 9.583 18.223 2.531 1.00 3.25 H new ATOM 0 HE ARG A 42 8.550 19.119 0.385 1.00 3.26 H new ATOM 0 HH11 ARG A 42 6.824 19.666 2.978 1.00 3.64 H new ATOM 0 HH12 ARG A 42 5.210 19.446 2.293 1.00 3.64 H new ATOM 0 HH21 ARG A 42 6.388 17.901 -0.598 1.00 2.96 H new ATOM 0 HH22 ARG A 42 4.966 18.458 0.290 1.00 2.96 H new ATOM 647 N ILE A 43 9.839 13.989 -0.647 1.00 2.15 N ATOM 648 CA ILE A 43 11.034 13.181 -1.069 1.00 2.23 C ATOM 649 C ILE A 43 10.819 12.619 -2.479 1.00 1.96 C ATOM 650 O ILE A 43 11.741 12.487 -3.265 1.00 2.04 O ATOM 651 CB ILE A 43 11.138 12.033 -0.054 1.00 2.36 C ATOM 652 CG1 ILE A 43 9.771 11.369 0.185 1.00 2.10 C ATOM 653 CG2 ILE A 43 11.666 12.569 1.273 1.00 2.74 C ATOM 654 CD1 ILE A 43 9.838 9.896 -0.233 1.00 2.36 C ATOM 0 H ILE A 43 9.417 13.700 0.235 1.00 2.15 H new ATOM 0 HA ILE A 43 11.942 13.784 -1.092 1.00 2.23 H new ATOM 0 HB ILE A 43 11.820 11.287 -0.461 1.00 2.36 H new ATOM 0 HG12 ILE A 43 9.496 11.447 1.237 1.00 2.10 H new ATOM 0 HG13 ILE A 43 8.999 11.885 -0.386 1.00 2.10 H new ATOM 0 HG21 ILE A 43 11.739 11.753 1.992 1.00 2.74 H new ATOM 0 HG22 ILE A 43 12.652 13.008 1.121 1.00 2.74 H new ATOM 0 HG23 ILE A 43 10.985 13.329 1.655 1.00 2.74 H new ATOM 0 HD11 ILE A 43 8.870 9.425 -0.064 1.00 2.36 H new ATOM 0 HD12 ILE A 43 10.094 9.829 -1.290 1.00 2.36 H new ATOM 0 HD13 ILE A 43 10.598 9.384 0.357 1.00 2.36 H new ATOM 666 N SER A 44 9.594 12.292 -2.783 1.00 1.72 N ATOM 667 CA SER A 44 9.230 11.734 -4.135 1.00 1.58 C ATOM 668 C SER A 44 9.959 10.398 -4.390 1.00 1.72 C ATOM 669 O SER A 44 9.611 9.386 -3.814 1.00 2.21 O ATOM 670 CB SER A 44 9.630 12.826 -5.143 1.00 1.67 C ATOM 671 OG SER A 44 9.438 12.339 -6.469 1.00 1.80 O ATOM 0 H SER A 44 8.806 12.387 -2.143 1.00 1.72 H new ATOM 0 HA SER A 44 8.169 11.501 -4.219 1.00 1.58 H new ATOM 0 HB2 SER A 44 9.030 13.722 -4.982 1.00 1.67 H new ATOM 0 HB3 SER A 44 10.672 13.109 -4.995 1.00 1.67 H new ATOM 0 HG SER A 44 9.691 13.034 -7.112 1.00 1.80 H new ATOM 677 N GLN A 45 10.960 10.377 -5.242 1.00 1.61 N ATOM 678 CA GLN A 45 11.696 9.093 -5.514 1.00 1.80 C ATOM 679 C GLN A 45 13.040 9.055 -4.760 1.00 1.93 C ATOM 680 O GLN A 45 13.937 8.306 -5.105 1.00 2.12 O ATOM 681 CB GLN A 45 11.922 9.051 -7.039 1.00 1.94 C ATOM 682 CG GLN A 45 12.675 10.303 -7.533 1.00 1.95 C ATOM 683 CD GLN A 45 13.256 10.046 -8.933 1.00 2.29 C ATOM 684 OE1 GLN A 45 12.891 9.100 -9.597 1.00 2.49 O ATOM 685 NE2 GLN A 45 14.142 10.859 -9.427 1.00 2.90 N ATOM 0 H GLN A 45 11.299 11.188 -5.759 1.00 1.61 H new ATOM 0 HA GLN A 45 11.126 8.230 -5.170 1.00 1.80 H new ATOM 0 HB2 GLN A 45 12.489 8.157 -7.299 1.00 1.94 H new ATOM 0 HB3 GLN A 45 10.961 8.978 -7.549 1.00 1.94 H new ATOM 0 HG2 GLN A 45 11.998 11.157 -7.562 1.00 1.95 H new ATOM 0 HG3 GLN A 45 13.476 10.554 -6.838 1.00 1.95 H new ATOM 0 HE21 GLN A 45 14.460 11.660 -8.881 1.00 2.90 H new ATOM 0 HE22 GLN A 45 14.519 10.696 -10.360 1.00 2.90 H new ATOM 694 N SER A 46 13.188 9.857 -3.735 1.00 2.00 N ATOM 695 CA SER A 46 14.475 9.879 -2.964 1.00 2.25 C ATOM 696 C SER A 46 14.509 8.768 -1.896 1.00 2.16 C ATOM 697 O SER A 46 14.826 9.012 -0.746 1.00 2.29 O ATOM 698 CB SER A 46 14.522 11.265 -2.311 1.00 2.46 C ATOM 699 OG SER A 46 15.566 12.031 -2.907 1.00 2.66 O ATOM 0 H SER A 46 12.472 10.500 -3.396 1.00 2.00 H new ATOM 0 HA SER A 46 15.334 9.699 -3.610 1.00 2.25 H new ATOM 0 HB2 SER A 46 13.565 11.772 -2.438 1.00 2.46 H new ATOM 0 HB3 SER A 46 14.692 11.169 -1.239 1.00 2.46 H new ATOM 0 HG SER A 46 15.598 12.919 -2.493 1.00 2.66 H new ATOM 705 N GLU A 47 14.196 7.546 -2.278 1.00 2.03 N ATOM 706 CA GLU A 47 14.211 6.396 -1.305 1.00 2.05 C ATOM 707 C GLU A 47 13.338 6.695 -0.064 1.00 1.70 C ATOM 708 O GLU A 47 12.462 7.539 -0.095 1.00 1.62 O ATOM 709 CB GLU A 47 15.687 6.222 -0.916 1.00 2.53 C ATOM 710 CG GLU A 47 16.089 4.744 -1.045 1.00 2.84 C ATOM 711 CD GLU A 47 16.043 4.077 0.327 1.00 2.63 C ATOM 712 OE1 GLU A 47 14.971 3.646 0.719 1.00 2.25 O ATOM 713 OE2 GLU A 47 17.072 4.021 0.969 1.00 3.14 O ATOM 0 H GLU A 47 13.929 7.294 -3.230 1.00 2.03 H new ATOM 0 HA GLU A 47 13.796 5.489 -1.745 1.00 2.05 H new ATOM 0 HB2 GLU A 47 16.317 6.837 -1.559 1.00 2.53 H new ATOM 0 HB3 GLU A 47 15.846 6.564 0.107 1.00 2.53 H new ATOM 0 HG2 GLU A 47 15.415 4.232 -1.732 1.00 2.84 H new ATOM 0 HG3 GLU A 47 17.092 4.665 -1.465 1.00 2.84 H new ATOM 720 N ASP A 48 13.570 5.980 1.015 1.00 1.57 N ATOM 721 CA ASP A 48 12.782 6.170 2.277 1.00 1.34 C ATOM 722 C ASP A 48 11.272 5.956 2.041 1.00 1.12 C ATOM 723 O ASP A 48 10.442 6.436 2.792 1.00 1.13 O ATOM 724 CB ASP A 48 13.102 7.603 2.740 1.00 1.62 C ATOM 725 CG ASP A 48 13.607 7.599 4.191 1.00 1.59 C ATOM 726 OD1 ASP A 48 14.150 6.587 4.622 1.00 1.53 O ATOM 727 OD2 ASP A 48 13.450 8.615 4.848 1.00 1.86 O ATOM 0 H ASP A 48 14.288 5.258 1.074 1.00 1.57 H new ATOM 0 HA ASP A 48 13.051 5.439 3.039 1.00 1.34 H new ATOM 0 HB2 ASP A 48 13.856 8.043 2.087 1.00 1.62 H new ATOM 0 HB3 ASP A 48 12.210 8.225 2.661 1.00 1.62 H new ATOM 732 N GLU A 49 10.912 5.199 1.025 1.00 1.11 N ATOM 733 CA GLU A 49 9.466 4.913 0.759 1.00 1.02 C ATOM 734 C GLU A 49 8.968 3.867 1.773 1.00 0.92 C ATOM 735 O GLU A 49 7.874 3.951 2.296 1.00 0.96 O ATOM 736 CB GLU A 49 9.427 4.354 -0.669 1.00 1.21 C ATOM 737 CG GLU A 49 7.972 4.141 -1.107 1.00 1.43 C ATOM 738 CD GLU A 49 7.532 5.287 -2.023 1.00 1.25 C ATOM 739 OE1 GLU A 49 7.129 6.314 -1.505 1.00 1.43 O ATOM 740 OE2 GLU A 49 7.603 5.116 -3.227 1.00 1.50 O ATOM 0 H GLU A 49 11.562 4.767 0.368 1.00 1.11 H new ATOM 0 HA GLU A 49 8.830 5.793 0.857 1.00 1.02 H new ATOM 0 HB2 GLU A 49 9.924 5.043 -1.352 1.00 1.21 H new ATOM 0 HB3 GLU A 49 9.971 3.411 -0.715 1.00 1.21 H new ATOM 0 HG2 GLU A 49 7.876 3.189 -1.629 1.00 1.43 H new ATOM 0 HG3 GLU A 49 7.323 4.093 -0.233 1.00 1.43 H new ATOM 747 N GLU A 50 9.801 2.899 2.061 1.00 0.94 N ATOM 748 CA GLU A 50 9.458 1.843 3.047 1.00 0.93 C ATOM 749 C GLU A 50 10.703 1.548 3.891 1.00 0.90 C ATOM 750 O GLU A 50 11.825 1.740 3.449 1.00 0.95 O ATOM 751 CB GLU A 50 9.055 0.622 2.215 1.00 1.09 C ATOM 752 CG GLU A 50 7.888 -0.102 2.898 1.00 1.23 C ATOM 753 CD GLU A 50 8.424 -1.172 3.848 1.00 1.22 C ATOM 754 OE1 GLU A 50 8.698 -2.260 3.383 1.00 1.53 O ATOM 755 OE2 GLU A 50 8.553 -0.886 5.028 1.00 1.11 O ATOM 0 H GLU A 50 10.725 2.799 1.641 1.00 0.94 H new ATOM 0 HA GLU A 50 8.654 2.130 3.724 1.00 0.93 H new ATOM 0 HB2 GLU A 50 8.766 0.933 1.211 1.00 1.09 H new ATOM 0 HB3 GLU A 50 9.903 -0.054 2.108 1.00 1.09 H new ATOM 0 HG2 GLU A 50 7.278 0.613 3.449 1.00 1.23 H new ATOM 0 HG3 GLU A 50 7.243 -0.560 2.148 1.00 1.23 H new ATOM 762 N SER A 51 10.528 1.094 5.095 1.00 0.89 N ATOM 763 CA SER A 51 11.715 0.795 5.969 1.00 0.93 C ATOM 764 C SER A 51 11.288 -0.031 7.192 1.00 0.99 C ATOM 765 O SER A 51 11.938 -0.025 8.217 1.00 1.13 O ATOM 766 CB SER A 51 12.262 2.168 6.392 1.00 0.99 C ATOM 767 OG SER A 51 13.135 2.673 5.372 1.00 1.01 O ATOM 0 H SER A 51 9.619 0.913 5.522 1.00 0.89 H new ATOM 0 HA SER A 51 12.470 0.206 5.448 1.00 0.93 H new ATOM 0 HB2 SER A 51 11.439 2.863 6.557 1.00 0.99 H new ATOM 0 HB3 SER A 51 12.801 2.081 7.336 1.00 0.99 H new ATOM 0 HG SER A 51 12.998 2.167 4.544 1.00 1.01 H new ATOM 773 N ILE A 52 10.198 -0.747 7.075 1.00 0.98 N ATOM 774 CA ILE A 52 9.698 -1.590 8.192 1.00 1.10 C ATOM 775 C ILE A 52 9.678 -3.044 7.729 1.00 1.02 C ATOM 776 O ILE A 52 10.063 -3.946 8.446 1.00 1.10 O ATOM 777 CB ILE A 52 8.275 -1.088 8.439 1.00 1.23 C ATOM 778 CG1 ILE A 52 8.304 0.412 8.726 1.00 1.33 C ATOM 779 CG2 ILE A 52 7.675 -1.821 9.633 1.00 1.41 C ATOM 780 CD1 ILE A 52 7.082 1.077 8.090 1.00 1.50 C ATOM 0 H ILE A 52 9.625 -0.780 6.232 1.00 0.98 H new ATOM 0 HA ILE A 52 10.310 -1.532 9.092 1.00 1.10 H new ATOM 0 HB ILE A 52 7.667 -1.277 7.554 1.00 1.23 H new ATOM 0 HG12 ILE A 52 8.308 0.587 9.802 1.00 1.33 H new ATOM 0 HG13 ILE A 52 9.219 0.852 8.328 1.00 1.33 H new ATOM 0 HG21 ILE A 52 6.661 -1.462 9.808 1.00 1.41 H new ATOM 0 HG22 ILE A 52 7.651 -2.891 9.428 1.00 1.41 H new ATOM 0 HG23 ILE A 52 8.284 -1.634 10.518 1.00 1.41 H new ATOM 0 HD11 ILE A 52 7.102 2.147 8.295 1.00 1.50 H new ATOM 0 HD12 ILE A 52 7.098 0.913 7.012 1.00 1.50 H new ATOM 0 HD13 ILE A 52 6.173 0.645 8.509 1.00 1.50 H new ATOM 792 N VAL A 53 9.228 -3.265 6.521 1.00 0.95 N ATOM 793 CA VAL A 53 9.176 -4.652 5.972 1.00 0.94 C ATOM 794 C VAL A 53 10.316 -4.870 4.963 1.00 0.88 C ATOM 795 O VAL A 53 11.306 -5.509 5.268 1.00 0.88 O ATOM 796 CB VAL A 53 7.809 -4.746 5.290 1.00 1.22 C ATOM 797 CG1 VAL A 53 7.654 -6.123 4.642 1.00 1.30 C ATOM 798 CG2 VAL A 53 6.710 -4.539 6.334 1.00 1.49 C ATOM 0 H VAL A 53 8.892 -2.539 5.888 1.00 0.95 H new ATOM 0 HA VAL A 53 9.299 -5.414 6.742 1.00 0.94 H new ATOM 0 HB VAL A 53 7.729 -3.978 4.521 1.00 1.22 H new ATOM 0 HG11 VAL A 53 6.680 -6.189 4.157 1.00 1.30 H new ATOM 0 HG12 VAL A 53 8.440 -6.267 3.900 1.00 1.30 H new ATOM 0 HG13 VAL A 53 7.731 -6.896 5.407 1.00 1.30 H new ATOM 0 HG21 VAL A 53 5.734 -4.605 5.853 1.00 1.49 H new ATOM 0 HG22 VAL A 53 6.789 -5.308 7.102 1.00 1.49 H new ATOM 0 HG23 VAL A 53 6.823 -3.556 6.791 1.00 1.49 H new ATOM 808 N GLY A 54 10.187 -4.339 3.770 1.00 1.07 N ATOM 809 CA GLY A 54 11.258 -4.503 2.732 1.00 1.28 C ATOM 810 C GLY A 54 11.257 -5.938 2.196 1.00 1.34 C ATOM 811 O GLY A 54 11.030 -6.176 1.022 1.00 1.65 O ATOM 0 H GLY A 54 9.379 -3.794 3.468 1.00 1.07 H new ATOM 0 HA2 GLY A 54 11.093 -3.801 1.914 1.00 1.28 H new ATOM 0 HA3 GLY A 54 12.231 -4.268 3.163 1.00 1.28 H new ATOM 815 N ASP A 55 11.511 -6.891 3.050 1.00 1.15 N ATOM 816 CA ASP A 55 11.526 -8.315 2.610 1.00 1.26 C ATOM 817 C ASP A 55 10.689 -9.180 3.560 1.00 1.31 C ATOM 818 O ASP A 55 10.058 -8.692 4.479 1.00 1.27 O ATOM 819 CB ASP A 55 13.003 -8.722 2.649 1.00 1.34 C ATOM 820 CG ASP A 55 13.362 -9.434 1.348 1.00 1.48 C ATOM 821 OD1 ASP A 55 13.659 -8.747 0.382 1.00 1.45 O ATOM 822 OD2 ASP A 55 13.314 -10.648 1.327 1.00 1.79 O ATOM 0 H ASP A 55 11.710 -6.744 4.039 1.00 1.15 H new ATOM 0 HA ASP A 55 11.095 -8.448 1.617 1.00 1.26 H new ATOM 0 HB2 ASP A 55 13.632 -7.841 2.781 1.00 1.34 H new ATOM 0 HB3 ASP A 55 13.190 -9.377 3.500 1.00 1.34 H new ATOM 827 N GLY A 56 10.683 -10.462 3.334 1.00 1.57 N ATOM 828 CA GLY A 56 9.900 -11.397 4.198 1.00 1.72 C ATOM 829 C GLY A 56 10.464 -12.794 3.989 1.00 1.72 C ATOM 830 O GLY A 56 10.756 -13.510 4.925 1.00 1.84 O ATOM 0 H GLY A 56 11.195 -10.912 2.575 1.00 1.57 H new ATOM 0 HA2 GLY A 56 9.976 -11.106 5.246 1.00 1.72 H new ATOM 0 HA3 GLY A 56 8.843 -11.367 3.935 1.00 1.72 H new ATOM 834 N GLU A 57 10.650 -13.167 2.751 1.00 1.67 N ATOM 835 CA GLU A 57 11.234 -14.496 2.437 1.00 1.72 C ATOM 836 C GLU A 57 12.772 -14.399 2.359 1.00 1.65 C ATOM 837 O GLU A 57 13.446 -15.402 2.233 1.00 1.82 O ATOM 838 CB GLU A 57 10.629 -14.889 1.077 1.00 1.74 C ATOM 839 CG GLU A 57 11.301 -14.094 -0.059 1.00 1.65 C ATOM 840 CD GLU A 57 10.465 -12.863 -0.412 1.00 1.74 C ATOM 841 OE1 GLU A 57 10.337 -11.990 0.435 1.00 1.76 O ATOM 842 OE2 GLU A 57 9.979 -12.802 -1.528 1.00 1.99 O ATOM 0 H GLU A 57 10.418 -12.598 1.937 1.00 1.67 H new ATOM 0 HA GLU A 57 11.011 -15.240 3.202 1.00 1.72 H new ATOM 0 HB2 GLU A 57 10.760 -15.958 0.909 1.00 1.74 H new ATOM 0 HB3 GLU A 57 9.556 -14.696 1.079 1.00 1.74 H new ATOM 0 HG2 GLU A 57 12.302 -13.787 0.245 1.00 1.65 H new ATOM 0 HG3 GLU A 57 11.415 -14.729 -0.938 1.00 1.65 H new ATOM 849 N THR A 58 13.322 -13.195 2.420 1.00 1.52 N ATOM 850 CA THR A 58 14.815 -12.998 2.337 1.00 1.53 C ATOM 851 C THR A 58 15.301 -13.290 0.907 1.00 1.43 C ATOM 852 O THR A 58 15.751 -14.378 0.599 1.00 1.73 O ATOM 853 CB THR A 58 15.445 -13.956 3.368 1.00 1.86 C ATOM 854 OG1 THR A 58 14.928 -13.661 4.660 1.00 2.05 O ATOM 855 CG2 THR A 58 16.963 -13.776 3.390 1.00 2.01 C ATOM 0 H THR A 58 12.789 -12.331 2.525 1.00 1.52 H new ATOM 0 HA THR A 58 15.104 -11.971 2.562 1.00 1.53 H new ATOM 0 HB THR A 58 15.205 -14.983 3.092 1.00 1.86 H new ATOM 0 HG1 THR A 58 15.325 -14.269 5.318 1.00 2.05 H new ATOM 0 HG21 THR A 58 17.400 -14.457 4.121 1.00 2.01 H new ATOM 0 HG22 THR A 58 17.370 -13.995 2.403 1.00 2.01 H new ATOM 0 HG23 THR A 58 17.204 -12.748 3.662 1.00 2.01 H new ATOM 863 N LYS A 59 15.192 -12.318 0.030 1.00 1.17 N ATOM 864 CA LYS A 59 15.622 -12.518 -1.393 1.00 1.25 C ATOM 865 C LYS A 59 16.743 -11.533 -1.792 1.00 1.21 C ATOM 866 O LYS A 59 16.919 -10.491 -1.187 1.00 1.17 O ATOM 867 CB LYS A 59 14.352 -12.267 -2.225 1.00 1.29 C ATOM 868 CG LYS A 59 14.058 -10.762 -2.301 1.00 1.21 C ATOM 869 CD LYS A 59 12.624 -10.533 -2.801 1.00 1.40 C ATOM 870 CE LYS A 59 11.687 -10.293 -1.609 1.00 1.85 C ATOM 871 NZ LYS A 59 11.816 -8.837 -1.292 1.00 2.04 N ATOM 0 H LYS A 59 14.822 -11.391 0.240 1.00 1.17 H new ATOM 0 HA LYS A 59 16.034 -13.514 -1.553 1.00 1.25 H new ATOM 0 HB2 LYS A 59 14.480 -12.671 -3.229 1.00 1.29 H new ATOM 0 HB3 LYS A 59 13.506 -12.788 -1.777 1.00 1.29 H new ATOM 0 HG2 LYS A 59 14.187 -10.308 -1.319 1.00 1.21 H new ATOM 0 HG3 LYS A 59 14.768 -10.278 -2.972 1.00 1.21 H new ATOM 0 HD2 LYS A 59 12.597 -9.676 -3.474 1.00 1.40 H new ATOM 0 HD3 LYS A 59 12.286 -11.398 -3.372 1.00 1.40 H new ATOM 0 HE2 LYS A 59 10.658 -10.551 -1.859 1.00 1.85 H new ATOM 0 HE3 LYS A 59 11.971 -10.908 -0.755 1.00 1.85 H new ATOM 0 HZ1 LYS A 59 11.074 -8.562 -0.617 1.00 2.04 H new ATOM 0 HZ2 LYS A 59 12.750 -8.654 -0.873 1.00 2.04 H new ATOM 0 HZ3 LYS A 59 11.714 -8.281 -2.165 1.00 2.04 H new ATOM 885 N GLU A 60 17.495 -11.869 -2.817 1.00 1.34 N ATOM 886 CA GLU A 60 18.608 -10.975 -3.284 1.00 1.40 C ATOM 887 C GLU A 60 18.073 -9.614 -3.781 1.00 1.35 C ATOM 888 O GLU A 60 18.568 -8.579 -3.366 1.00 1.36 O ATOM 889 CB GLU A 60 19.286 -11.740 -4.429 1.00 1.63 C ATOM 890 CG GLU A 60 20.496 -10.946 -4.940 1.00 1.48 C ATOM 891 CD GLU A 60 20.453 -10.856 -6.467 1.00 1.58 C ATOM 892 OE1 GLU A 60 20.824 -11.825 -7.106 1.00 1.81 O ATOM 893 OE2 GLU A 60 20.049 -9.820 -6.968 1.00 2.00 O ATOM 0 H GLU A 60 17.385 -12.730 -3.353 1.00 1.34 H new ATOM 0 HA GLU A 60 19.300 -10.747 -2.473 1.00 1.40 H new ATOM 0 HB2 GLU A 60 19.605 -12.723 -4.083 1.00 1.63 H new ATOM 0 HB3 GLU A 60 18.577 -11.902 -5.241 1.00 1.63 H new ATOM 0 HG2 GLU A 60 20.494 -9.945 -4.508 1.00 1.48 H new ATOM 0 HG3 GLU A 60 21.420 -11.429 -4.621 1.00 1.48 H new ATOM 900 N PRO A 61 17.085 -9.642 -4.662 1.00 1.41 N ATOM 901 CA PRO A 61 16.522 -8.372 -5.198 1.00 1.50 C ATOM 902 C PRO A 61 15.765 -7.598 -4.107 1.00 1.39 C ATOM 903 O PRO A 61 15.413 -8.138 -3.072 1.00 1.30 O ATOM 904 CB PRO A 61 15.575 -8.835 -6.305 1.00 1.68 C ATOM 905 CG PRO A 61 15.208 -10.233 -5.930 1.00 1.61 C ATOM 906 CD PRO A 61 16.407 -10.818 -5.232 1.00 1.50 C ATOM 0 HA PRO A 61 17.291 -7.689 -5.560 1.00 1.50 H new ATOM 0 HB2 PRO A 61 14.693 -8.197 -6.365 1.00 1.68 H new ATOM 0 HB3 PRO A 61 16.060 -8.801 -7.281 1.00 1.68 H new ATOM 0 HG2 PRO A 61 14.336 -10.243 -5.276 1.00 1.61 H new ATOM 0 HG3 PRO A 61 14.951 -10.817 -6.814 1.00 1.61 H new ATOM 0 HD2 PRO A 61 16.114 -11.526 -4.457 1.00 1.50 H new ATOM 0 HD3 PRO A 61 17.053 -11.355 -5.927 1.00 1.50 H new ATOM 914 N PHE A 62 15.520 -6.327 -4.338 1.00 1.48 N ATOM 915 CA PHE A 62 14.795 -5.475 -3.337 1.00 1.46 C ATOM 916 C PHE A 62 15.671 -5.218 -2.103 1.00 1.37 C ATOM 917 O PHE A 62 15.990 -4.088 -1.787 1.00 1.42 O ATOM 918 CB PHE A 62 13.523 -6.246 -2.955 1.00 1.46 C ATOM 919 CG PHE A 62 12.385 -5.277 -2.728 1.00 1.48 C ATOM 920 CD1 PHE A 62 12.626 -4.033 -2.127 1.00 2.35 C ATOM 921 CD2 PHE A 62 11.083 -5.625 -3.110 1.00 1.41 C ATOM 922 CE1 PHE A 62 11.571 -3.139 -1.917 1.00 2.47 C ATOM 923 CE2 PHE A 62 10.026 -4.730 -2.900 1.00 1.60 C ATOM 924 CZ PHE A 62 10.272 -3.487 -2.300 1.00 1.83 C ATOM 0 H PHE A 62 15.796 -5.838 -5.189 1.00 1.48 H new ATOM 0 HA PHE A 62 14.551 -4.498 -3.755 1.00 1.46 H new ATOM 0 HB2 PHE A 62 13.262 -6.949 -3.746 1.00 1.46 H new ATOM 0 HB3 PHE A 62 13.699 -6.832 -2.053 1.00 1.46 H new ATOM 0 HD1 PHE A 62 13.628 -3.765 -1.826 1.00 2.35 H new ATOM 0 HD2 PHE A 62 10.894 -6.585 -3.567 1.00 1.41 H new ATOM 0 HE1 PHE A 62 11.760 -2.179 -1.459 1.00 2.47 H new ATOM 0 HE2 PHE A 62 9.023 -4.997 -3.200 1.00 1.60 H new ATOM 0 HZ PHE A 62 9.457 -2.798 -2.133 1.00 1.83 H new ATOM 934 N LEU A 63 16.060 -6.251 -1.412 1.00 1.30 N ATOM 935 CA LEU A 63 16.919 -6.064 -0.199 1.00 1.30 C ATOM 936 C LEU A 63 18.259 -5.433 -0.581 1.00 1.35 C ATOM 937 O LEU A 63 18.733 -4.523 0.077 1.00 1.35 O ATOM 938 CB LEU A 63 17.134 -7.471 0.381 1.00 1.32 C ATOM 939 CG LEU A 63 16.358 -7.627 1.691 1.00 1.40 C ATOM 940 CD1 LEU A 63 16.512 -9.061 2.208 1.00 1.59 C ATOM 941 CD2 LEU A 63 16.908 -6.651 2.733 1.00 1.59 C ATOM 0 H LEU A 63 15.823 -7.219 -1.630 1.00 1.30 H new ATOM 0 HA LEU A 63 16.449 -5.398 0.525 1.00 1.30 H new ATOM 0 HB2 LEU A 63 16.805 -8.222 -0.337 1.00 1.32 H new ATOM 0 HB3 LEU A 63 18.196 -7.642 0.557 1.00 1.32 H new ATOM 0 HG LEU A 63 15.304 -7.413 1.514 1.00 1.40 H new ATOM 0 HD11 LEU A 63 15.960 -9.173 3.141 1.00 1.59 H new ATOM 0 HD12 LEU A 63 16.120 -9.759 1.468 1.00 1.59 H new ATOM 0 HD13 LEU A 63 17.567 -9.273 2.383 1.00 1.59 H new ATOM 0 HD21 LEU A 63 16.354 -6.764 3.665 1.00 1.59 H new ATOM 0 HD22 LEU A 63 17.962 -6.863 2.910 1.00 1.59 H new ATOM 0 HD23 LEU A 63 16.800 -5.630 2.368 1.00 1.59 H new ATOM 953 N LEU A 64 18.866 -5.907 -1.636 1.00 1.44 N ATOM 954 CA LEU A 64 20.183 -5.346 -2.074 1.00 1.55 C ATOM 955 C LEU A 64 20.082 -3.829 -2.283 1.00 1.53 C ATOM 956 O LEU A 64 20.825 -3.068 -1.688 1.00 1.53 O ATOM 957 CB LEU A 64 20.517 -6.054 -3.394 1.00 1.72 C ATOM 958 CG LEU A 64 22.033 -6.250 -3.502 1.00 1.88 C ATOM 959 CD1 LEU A 64 22.352 -7.750 -3.502 1.00 2.24 C ATOM 960 CD2 LEU A 64 22.539 -5.608 -4.801 1.00 2.22 C ATOM 0 H LEU A 64 18.506 -6.663 -2.218 1.00 1.44 H new ATOM 0 HA LEU A 64 20.958 -5.508 -1.325 1.00 1.55 H new ATOM 0 HB2 LEU A 64 20.011 -7.018 -3.439 1.00 1.72 H new ATOM 0 HB3 LEU A 64 20.155 -5.464 -4.236 1.00 1.72 H new ATOM 0 HG LEU A 64 22.527 -5.777 -2.653 1.00 1.88 H new ATOM 0 HD11 LEU A 64 23.430 -7.893 -3.579 1.00 2.24 H new ATOM 0 HD12 LEU A 64 21.992 -8.199 -2.576 1.00 2.24 H new ATOM 0 HD13 LEU A 64 21.862 -8.226 -4.351 1.00 2.24 H new ATOM 0 HD21 LEU A 64 23.617 -5.747 -4.879 1.00 2.22 H new ATOM 0 HD22 LEU A 64 22.050 -6.078 -5.654 1.00 2.22 H new ATOM 0 HD23 LEU A 64 22.310 -4.542 -4.794 1.00 2.22 H new ATOM 972 N VAL A 65 19.176 -3.376 -3.117 1.00 1.55 N ATOM 973 CA VAL A 65 19.047 -1.907 -3.348 1.00 1.59 C ATOM 974 C VAL A 65 18.542 -1.203 -2.082 1.00 1.47 C ATOM 975 O VAL A 65 18.944 -0.092 -1.787 1.00 1.48 O ATOM 976 CB VAL A 65 18.066 -1.740 -4.523 1.00 1.72 C ATOM 977 CG1 VAL A 65 18.675 -2.341 -5.793 1.00 1.93 C ATOM 978 CG2 VAL A 65 16.732 -2.438 -4.227 1.00 1.65 C ATOM 0 H VAL A 65 18.525 -3.958 -3.644 1.00 1.55 H new ATOM 0 HA VAL A 65 20.008 -1.452 -3.585 1.00 1.59 H new ATOM 0 HB VAL A 65 17.882 -0.675 -4.664 1.00 1.72 H new ATOM 0 HG11 VAL A 65 17.978 -2.221 -6.623 1.00 1.93 H new ATOM 0 HG12 VAL A 65 19.609 -1.829 -6.026 1.00 1.93 H new ATOM 0 HG13 VAL A 65 18.872 -3.401 -5.635 1.00 1.93 H new ATOM 0 HG21 VAL A 65 16.057 -2.305 -5.072 1.00 1.65 H new ATOM 0 HG22 VAL A 65 16.906 -3.502 -4.065 1.00 1.65 H new ATOM 0 HG23 VAL A 65 16.284 -2.003 -3.333 1.00 1.65 H new ATOM 988 N GLN A 66 17.693 -1.848 -1.315 1.00 1.41 N ATOM 989 CA GLN A 66 17.191 -1.220 -0.052 1.00 1.37 C ATOM 990 C GLN A 66 18.373 -0.952 0.882 1.00 1.34 C ATOM 991 O GLN A 66 18.568 0.150 1.361 1.00 1.36 O ATOM 992 CB GLN A 66 16.227 -2.249 0.552 1.00 1.38 C ATOM 993 CG GLN A 66 15.615 -1.696 1.846 1.00 1.40 C ATOM 994 CD GLN A 66 14.108 -1.962 1.856 1.00 1.60 C ATOM 995 OE1 GLN A 66 13.680 -3.095 1.924 1.00 1.84 O ATOM 996 NE2 GLN A 66 13.279 -0.963 1.790 1.00 1.86 N ATOM 0 H GLN A 66 17.327 -2.780 -1.510 1.00 1.41 H new ATOM 0 HA GLN A 66 16.691 -0.266 -0.219 1.00 1.37 H new ATOM 0 HB2 GLN A 66 15.438 -2.484 -0.162 1.00 1.38 H new ATOM 0 HB3 GLN A 66 16.757 -3.179 0.759 1.00 1.38 H new ATOM 0 HG2 GLN A 66 16.083 -2.166 2.711 1.00 1.40 H new ATOM 0 HG3 GLN A 66 15.806 -0.626 1.922 1.00 1.40 H new ATOM 0 HE21 GLN A 66 13.634 -0.009 1.733 1.00 1.86 H new ATOM 0 HE22 GLN A 66 12.273 -1.134 1.796 1.00 1.86 H new ATOM 1005 N TYR A 67 19.176 -1.953 1.114 1.00 1.34 N ATOM 1006 CA TYR A 67 20.371 -1.778 1.994 1.00 1.39 C ATOM 1007 C TYR A 67 21.382 -0.843 1.320 1.00 1.40 C ATOM 1008 O TYR A 67 21.983 0.001 1.958 1.00 1.41 O ATOM 1009 CB TYR A 67 20.956 -3.183 2.163 1.00 1.47 C ATOM 1010 CG TYR A 67 21.564 -3.320 3.543 1.00 1.32 C ATOM 1011 CD1 TYR A 67 22.905 -2.974 3.758 1.00 1.60 C ATOM 1012 CD2 TYR A 67 20.788 -3.795 4.609 1.00 1.39 C ATOM 1013 CE1 TYR A 67 23.466 -3.105 5.037 1.00 1.74 C ATOM 1014 CE2 TYR A 67 21.351 -3.923 5.886 1.00 1.59 C ATOM 1015 CZ TYR A 67 22.689 -3.579 6.098 1.00 1.67 C ATOM 1016 OH TYR A 67 23.244 -3.712 7.353 1.00 2.05 O ATOM 0 H TYR A 67 19.057 -2.891 0.731 1.00 1.34 H new ATOM 0 HA TYR A 67 20.118 -1.333 2.956 1.00 1.39 H new ATOM 0 HB2 TYR A 67 20.176 -3.931 2.023 1.00 1.47 H new ATOM 0 HB3 TYR A 67 21.714 -3.366 1.401 1.00 1.47 H new ATOM 0 HD1 TYR A 67 23.506 -2.607 2.939 1.00 1.60 H new ATOM 0 HD2 TYR A 67 19.754 -4.063 4.446 1.00 1.39 H new ATOM 0 HE1 TYR A 67 24.500 -2.839 5.202 1.00 1.74 H new ATOM 0 HE2 TYR A 67 20.751 -4.288 6.707 1.00 1.59 H new ATOM 0 HH TYR A 67 22.568 -4.053 7.975 1.00 2.05 H new ATOM 1026 N SER A 68 21.555 -0.988 0.031 1.00 1.45 N ATOM 1027 CA SER A 68 22.519 -0.110 -0.720 1.00 1.53 C ATOM 1028 C SER A 68 22.111 1.366 -0.605 1.00 1.48 C ATOM 1029 O SER A 68 22.952 2.240 -0.594 1.00 1.53 O ATOM 1030 CB SER A 68 22.444 -0.564 -2.181 1.00 1.65 C ATOM 1031 OG SER A 68 22.870 -1.918 -2.283 1.00 1.75 O ATOM 0 H SER A 68 21.070 -1.679 -0.541 1.00 1.45 H new ATOM 0 HA SER A 68 23.529 -0.196 -0.319 1.00 1.53 H new ATOM 0 HB2 SER A 68 21.424 -0.464 -2.551 1.00 1.65 H new ATOM 0 HB3 SER A 68 23.072 0.073 -2.803 1.00 1.65 H new ATOM 0 HG SER A 68 22.202 -2.503 -1.868 1.00 1.75 H new ATOM 1037 N ALA A 69 20.832 1.650 -0.520 1.00 1.43 N ATOM 1038 CA ALA A 69 20.384 3.073 -0.401 1.00 1.43 C ATOM 1039 C ALA A 69 20.199 3.458 1.075 1.00 1.36 C ATOM 1040 O ALA A 69 20.717 4.461 1.534 1.00 1.35 O ATOM 1041 CB ALA A 69 19.057 3.133 -1.159 1.00 1.51 C ATOM 0 H ALA A 69 20.082 0.959 -0.528 1.00 1.43 H new ATOM 0 HA ALA A 69 21.113 3.773 -0.809 1.00 1.43 H new ATOM 0 HB1 ALA A 69 18.661 4.148 -1.119 1.00 1.51 H new ATOM 0 HB2 ALA A 69 19.218 2.847 -2.198 1.00 1.51 H new ATOM 0 HB3 ALA A 69 18.345 2.447 -0.701 1.00 1.51 H new ATOM 1047 N LYS A 70 19.466 2.669 1.816 1.00 1.35 N ATOM 1048 CA LYS A 70 19.237 2.979 3.269 1.00 1.34 C ATOM 1049 C LYS A 70 20.565 3.112 4.015 1.00 1.27 C ATOM 1050 O LYS A 70 20.743 4.011 4.809 1.00 1.27 O ATOM 1051 CB LYS A 70 18.440 1.795 3.829 1.00 1.38 C ATOM 1052 CG LYS A 70 17.047 1.762 3.200 1.00 1.42 C ATOM 1053 CD LYS A 70 16.010 2.297 4.196 1.00 1.46 C ATOM 1054 CE LYS A 70 15.616 3.727 3.813 1.00 1.47 C ATOM 1055 NZ LYS A 70 14.873 4.250 5.001 1.00 1.32 N ATOM 0 H LYS A 70 19.012 1.819 1.481 1.00 1.35 H new ATOM 0 HA LYS A 70 18.706 3.923 3.389 1.00 1.34 H new ATOM 0 HB2 LYS A 70 18.964 0.862 3.622 1.00 1.38 H new ATOM 0 HB3 LYS A 70 18.357 1.881 4.912 1.00 1.38 H new ATOM 0 HG2 LYS A 70 17.035 2.364 2.291 1.00 1.42 H new ATOM 0 HG3 LYS A 70 16.793 0.742 2.911 1.00 1.42 H new ATOM 0 HD2 LYS A 70 15.129 1.655 4.199 1.00 1.46 H new ATOM 0 HD3 LYS A 70 16.419 2.280 5.206 1.00 1.46 H new ATOM 0 HE2 LYS A 70 16.495 4.335 3.597 1.00 1.47 H new ATOM 0 HE3 LYS A 70 14.992 3.739 2.919 1.00 1.47 H new ATOM 0 HZ1 LYS A 70 14.525 5.209 4.798 1.00 1.32 H new ATOM 0 HZ2 LYS A 70 14.068 3.626 5.209 1.00 1.32 H new ATOM 0 HZ3 LYS A 70 15.509 4.280 5.823 1.00 1.32 H new ATOM 1069 N GLY A 71 21.485 2.218 3.763 1.00 1.26 N ATOM 1070 CA GLY A 71 22.819 2.265 4.453 1.00 1.26 C ATOM 1071 C GLY A 71 23.387 3.688 4.427 1.00 1.23 C ATOM 1072 O GLY A 71 23.531 4.308 5.466 1.00 1.24 O ATOM 0 H GLY A 71 21.373 1.448 3.103 1.00 1.26 H new ATOM 0 HA2 GLY A 71 22.714 1.928 5.484 1.00 1.26 H new ATOM 0 HA3 GLY A 71 23.513 1.581 3.963 1.00 1.26 H new ATOM 1076 N PRO A 72 23.680 4.170 3.241 1.00 1.22 N ATOM 1077 CA PRO A 72 24.222 5.547 3.096 1.00 1.21 C ATOM 1078 C PRO A 72 23.162 6.583 3.503 1.00 1.21 C ATOM 1079 O PRO A 72 23.471 7.557 4.163 1.00 1.21 O ATOM 1080 CB PRO A 72 24.578 5.643 1.611 1.00 1.27 C ATOM 1081 CG PRO A 72 23.708 4.626 0.949 1.00 1.31 C ATOM 1082 CD PRO A 72 23.539 3.503 1.939 1.00 1.29 C ATOM 0 HA PRO A 72 25.083 5.746 3.734 1.00 1.21 H new ATOM 0 HB2 PRO A 72 24.386 6.643 1.221 1.00 1.27 H new ATOM 0 HB3 PRO A 72 25.634 5.432 1.442 1.00 1.27 H new ATOM 0 HG2 PRO A 72 22.743 5.056 0.681 1.00 1.31 H new ATOM 0 HG3 PRO A 72 24.164 4.266 0.027 1.00 1.31 H new ATOM 0 HD2 PRO A 72 22.566 3.022 1.838 1.00 1.29 H new ATOM 0 HD3 PRO A 72 24.294 2.729 1.801 1.00 1.29 H new ATOM 1090 N CYS A 73 21.914 6.377 3.140 1.00 1.25 N ATOM 1091 CA CYS A 73 20.849 7.354 3.539 1.00 1.34 C ATOM 1092 C CYS A 73 20.787 7.460 5.068 1.00 1.38 C ATOM 1093 O CYS A 73 20.743 8.543 5.625 1.00 1.44 O ATOM 1094 CB CYS A 73 19.539 6.793 2.975 1.00 1.45 C ATOM 1095 SG CYS A 73 18.223 8.024 3.160 1.00 1.81 S ATOM 0 H CYS A 73 21.591 5.581 2.590 1.00 1.25 H new ATOM 0 HA CYS A 73 21.044 8.356 3.156 1.00 1.34 H new ATOM 0 HB2 CYS A 73 19.665 6.535 1.923 1.00 1.45 H new ATOM 0 HB3 CYS A 73 19.269 5.876 3.498 1.00 1.45 H new ATOM 0 HG CYS A 73 17.113 7.548 2.679 1.00 1.81 H new ATOM 1101 N VAL A 74 20.814 6.343 5.746 1.00 1.39 N ATOM 1102 CA VAL A 74 20.786 6.364 7.243 1.00 1.50 C ATOM 1103 C VAL A 74 22.121 6.898 7.763 1.00 1.47 C ATOM 1104 O VAL A 74 22.163 7.758 8.623 1.00 1.58 O ATOM 1105 CB VAL A 74 20.559 4.905 7.671 1.00 1.53 C ATOM 1106 CG1 VAL A 74 20.822 4.751 9.174 1.00 1.69 C ATOM 1107 CG2 VAL A 74 19.110 4.504 7.375 1.00 1.62 C ATOM 0 H VAL A 74 20.854 5.413 5.329 1.00 1.39 H new ATOM 0 HA VAL A 74 20.004 7.009 7.644 1.00 1.50 H new ATOM 0 HB VAL A 74 21.243 4.264 7.116 1.00 1.53 H new ATOM 0 HG11 VAL A 74 20.659 3.714 9.468 1.00 1.69 H new ATOM 0 HG12 VAL A 74 21.852 5.032 9.394 1.00 1.69 H new ATOM 0 HG13 VAL A 74 20.143 5.397 9.730 1.00 1.69 H new ATOM 0 HG21 VAL A 74 18.950 3.470 7.679 1.00 1.62 H new ATOM 0 HG22 VAL A 74 18.432 5.154 7.929 1.00 1.62 H new ATOM 0 HG23 VAL A 74 18.916 4.603 6.307 1.00 1.62 H new ATOM 1117 N GLU A 75 23.206 6.409 7.223 1.00 1.36 N ATOM 1118 CA GLU A 75 24.560 6.896 7.650 1.00 1.38 C ATOM 1119 C GLU A 75 24.640 8.421 7.482 1.00 1.37 C ATOM 1120 O GLU A 75 25.172 9.130 8.320 1.00 1.48 O ATOM 1121 CB GLU A 75 25.539 6.192 6.702 1.00 1.32 C ATOM 1122 CG GLU A 75 26.976 6.667 6.970 1.00 1.57 C ATOM 1123 CD GLU A 75 27.666 6.990 5.643 1.00 1.81 C ATOM 1124 OE1 GLU A 75 28.266 6.093 5.078 1.00 1.88 O ATOM 1125 OE2 GLU A 75 27.586 8.133 5.217 1.00 2.17 O ATOM 0 H GLU A 75 23.217 5.689 6.500 1.00 1.36 H new ATOM 0 HA GLU A 75 24.779 6.680 8.696 1.00 1.38 H new ATOM 0 HB2 GLU A 75 25.474 5.112 6.838 1.00 1.32 H new ATOM 0 HB3 GLU A 75 25.267 6.400 5.667 1.00 1.32 H new ATOM 0 HG2 GLU A 75 26.965 7.549 7.610 1.00 1.57 H new ATOM 0 HG3 GLU A 75 27.532 5.895 7.502 1.00 1.57 H new ATOM 1132 N ARG A 76 24.098 8.917 6.405 1.00 1.31 N ATOM 1133 CA ARG A 76 24.111 10.384 6.144 1.00 1.34 C ATOM 1134 C ARG A 76 23.170 11.114 7.113 1.00 1.47 C ATOM 1135 O ARG A 76 23.542 12.102 7.716 1.00 1.53 O ATOM 1136 CB ARG A 76 23.628 10.528 4.696 1.00 1.33 C ATOM 1137 CG ARG A 76 24.151 11.838 4.105 1.00 1.34 C ATOM 1138 CD ARG A 76 23.106 12.938 4.292 1.00 1.54 C ATOM 1139 NE ARG A 76 23.905 14.171 4.577 1.00 1.49 N ATOM 1140 CZ ARG A 76 23.880 15.195 3.772 1.00 1.52 C ATOM 1141 NH1 ARG A 76 22.854 15.408 3.005 1.00 1.73 N ATOM 1142 NH2 ARG A 76 24.881 16.022 3.758 1.00 1.58 N ATOM 0 H ARG A 76 23.640 8.360 5.684 1.00 1.31 H new ATOM 0 HA ARG A 76 25.099 10.822 6.290 1.00 1.34 H new ATOM 0 HB2 ARG A 76 23.977 9.684 4.101 1.00 1.33 H new ATOM 0 HB3 ARG A 76 22.539 10.512 4.663 1.00 1.33 H new ATOM 0 HG2 ARG A 76 25.084 12.122 4.592 1.00 1.34 H new ATOM 0 HG3 ARG A 76 24.372 11.708 3.045 1.00 1.34 H new ATOM 0 HD2 ARG A 76 22.494 13.060 3.398 1.00 1.54 H new ATOM 0 HD3 ARG A 76 22.428 12.706 5.113 1.00 1.54 H new ATOM 0 HE ARG A 76 24.481 14.210 5.418 1.00 1.49 H new ATOM 0 HH11 ARG A 76 22.058 14.771 3.029 1.00 1.73 H new ATOM 0 HH12 ARG A 76 22.844 16.213 2.378 1.00 1.73 H new ATOM 0 HH21 ARG A 76 25.679 15.867 4.374 1.00 1.58 H new ATOM 0 HH22 ARG A 76 24.869 16.826 3.131 1.00 1.58 H new ATOM 1156 N LYS A 77 21.958 10.636 7.280 1.00 1.55 N ATOM 1157 CA LYS A 77 21.019 11.320 8.226 1.00 1.73 C ATOM 1158 C LYS A 77 21.524 11.172 9.668 1.00 1.85 C ATOM 1159 O LYS A 77 21.318 12.042 10.505 1.00 1.98 O ATOM 1160 CB LYS A 77 19.640 10.659 8.008 1.00 1.85 C ATOM 1161 CG LYS A 77 19.413 9.483 8.973 1.00 2.02 C ATOM 1162 CD LYS A 77 18.322 9.852 9.989 1.00 2.28 C ATOM 1163 CE LYS A 77 18.900 9.849 11.412 1.00 2.47 C ATOM 1164 NZ LYS A 77 19.214 11.281 11.716 1.00 2.64 N ATOM 0 H LYS A 77 21.583 9.813 6.809 1.00 1.55 H new ATOM 0 HA LYS A 77 20.950 12.392 8.044 1.00 1.73 H new ATOM 0 HB2 LYS A 77 18.854 11.402 8.148 1.00 1.85 H new ATOM 0 HB3 LYS A 77 19.565 10.306 6.980 1.00 1.85 H new ATOM 0 HG2 LYS A 77 19.119 8.594 8.415 1.00 2.02 H new ATOM 0 HG3 LYS A 77 20.341 9.241 9.492 1.00 2.02 H new ATOM 0 HD2 LYS A 77 17.915 10.836 9.756 1.00 2.28 H new ATOM 0 HD3 LYS A 77 17.497 9.142 9.922 1.00 2.28 H new ATOM 0 HE2 LYS A 77 18.183 9.444 12.126 1.00 2.47 H new ATOM 0 HE3 LYS A 77 19.795 9.229 11.471 1.00 2.47 H new ATOM 0 HZ1 LYS A 77 18.942 11.496 12.696 1.00 2.64 H new ATOM 0 HZ2 LYS A 77 20.234 11.446 11.596 1.00 2.64 H new ATOM 0 HZ3 LYS A 77 18.685 11.898 11.067 1.00 2.64 H new ATOM 1178 N ALA A 78 22.189 10.087 9.969 1.00 1.84 N ATOM 1179 CA ALA A 78 22.724 9.885 11.351 1.00 2.01 C ATOM 1180 C ALA A 78 23.883 10.850 11.591 1.00 1.99 C ATOM 1181 O ALA A 78 23.936 11.540 12.594 1.00 2.14 O ATOM 1182 CB ALA A 78 23.204 8.432 11.393 1.00 2.02 C ATOM 0 H ALA A 78 22.386 9.329 9.316 1.00 1.84 H new ATOM 0 HA ALA A 78 21.978 10.075 12.123 1.00 2.01 H new ATOM 0 HB1 ALA A 78 23.611 8.212 12.380 1.00 2.02 H new ATOM 0 HB2 ALA A 78 22.366 7.766 11.189 1.00 2.02 H new ATOM 0 HB3 ALA A 78 23.978 8.283 10.640 1.00 2.02 H new ATOM 1188 N LYS A 79 24.798 10.921 10.664 1.00 1.83 N ATOM 1189 CA LYS A 79 25.947 11.861 10.825 1.00 1.85 C ATOM 1190 C LYS A 79 25.460 13.310 10.662 1.00 1.83 C ATOM 1191 O LYS A 79 25.942 14.200 11.324 1.00 1.94 O ATOM 1192 CB LYS A 79 26.969 11.462 9.744 1.00 1.72 C ATOM 1193 CG LYS A 79 26.604 12.082 8.392 1.00 1.46 C ATOM 1194 CD LYS A 79 27.784 11.935 7.424 1.00 1.39 C ATOM 1195 CE LYS A 79 27.993 10.456 7.082 1.00 1.44 C ATOM 1196 NZ LYS A 79 28.425 10.436 5.652 1.00 1.84 N ATOM 0 H LYS A 79 24.802 10.372 9.805 1.00 1.83 H new ATOM 0 HA LYS A 79 26.403 11.803 11.813 1.00 1.85 H new ATOM 0 HB2 LYS A 79 27.965 11.789 10.041 1.00 1.72 H new ATOM 0 HB3 LYS A 79 27.003 10.376 9.653 1.00 1.72 H new ATOM 0 HG2 LYS A 79 25.721 11.592 7.982 1.00 1.46 H new ATOM 0 HG3 LYS A 79 26.354 13.135 8.519 1.00 1.46 H new ATOM 0 HD2 LYS A 79 27.593 12.505 6.514 1.00 1.39 H new ATOM 0 HD3 LYS A 79 28.688 12.345 7.873 1.00 1.39 H new ATOM 0 HE2 LYS A 79 28.748 10.007 7.727 1.00 1.44 H new ATOM 0 HE3 LYS A 79 27.074 9.887 7.223 1.00 1.44 H new ATOM 0 HZ1 LYS A 79 28.246 9.494 5.248 1.00 1.84 H new ATOM 0 HZ2 LYS A 79 27.889 11.149 5.117 1.00 1.84 H new ATOM 0 HZ3 LYS A 79 29.441 10.651 5.593 1.00 1.84 H new ATOM 1210 N LEU A 80 24.495 13.552 9.803 1.00 1.75 N ATOM 1211 CA LEU A 80 23.980 14.947 9.631 1.00 1.81 C ATOM 1212 C LEU A 80 23.329 15.429 10.934 1.00 2.00 C ATOM 1213 O LEU A 80 23.577 16.527 11.391 1.00 2.09 O ATOM 1214 CB LEU A 80 22.952 14.868 8.492 1.00 1.79 C ATOM 1215 CG LEU A 80 22.345 16.254 8.239 1.00 1.90 C ATOM 1216 CD1 LEU A 80 22.859 16.806 6.906 1.00 2.12 C ATOM 1217 CD2 LEU A 80 20.818 16.141 8.189 1.00 2.03 C ATOM 0 H LEU A 80 24.046 12.848 9.218 1.00 1.75 H new ATOM 0 HA LEU A 80 24.774 15.656 9.395 1.00 1.81 H new ATOM 0 HB2 LEU A 80 23.430 14.499 7.584 1.00 1.79 H new ATOM 0 HB3 LEU A 80 22.166 14.158 8.749 1.00 1.79 H new ATOM 0 HG LEU A 80 22.635 16.928 9.045 1.00 1.90 H new ATOM 0 HD11 LEU A 80 22.426 17.791 6.729 1.00 2.12 H new ATOM 0 HD12 LEU A 80 23.945 16.888 6.941 1.00 2.12 H new ATOM 0 HD13 LEU A 80 22.572 16.133 6.098 1.00 2.12 H new ATOM 0 HD21 LEU A 80 20.386 17.125 8.009 1.00 2.03 H new ATOM 0 HD22 LEU A 80 20.529 15.466 7.384 1.00 2.03 H new ATOM 0 HD23 LEU A 80 20.451 15.751 9.138 1.00 2.03 H new ATOM 1229 N MET A 81 22.510 14.607 11.540 1.00 2.09 N ATOM 1230 CA MET A 81 21.849 15.011 12.827 1.00 2.30 C ATOM 1231 C MET A 81 22.860 14.962 13.985 1.00 2.34 C ATOM 1232 O MET A 81 22.880 15.834 14.833 1.00 2.45 O ATOM 1233 CB MET A 81 20.728 13.989 13.049 1.00 2.38 C ATOM 1234 CG MET A 81 19.731 14.530 14.085 1.00 2.82 C ATOM 1235 SD MET A 81 18.337 13.377 14.253 1.00 3.02 S ATOM 1236 CE MET A 81 17.287 14.415 15.308 1.00 3.45 C ATOM 0 H MET A 81 22.268 13.675 11.203 1.00 2.09 H new ATOM 0 HA MET A 81 21.463 16.030 12.784 1.00 2.30 H new ATOM 0 HB2 MET A 81 20.216 13.787 12.108 1.00 2.38 H new ATOM 0 HB3 MET A 81 21.148 13.044 13.393 1.00 2.38 H new ATOM 0 HG2 MET A 81 20.226 14.660 15.047 1.00 2.82 H new ATOM 0 HG3 MET A 81 19.369 15.511 13.778 1.00 2.82 H new ATOM 0 HE1 MET A 81 16.362 13.885 15.534 1.00 3.45 H new ATOM 0 HE2 MET A 81 17.813 14.640 16.236 1.00 3.45 H new ATOM 0 HE3 MET A 81 17.055 15.345 14.788 1.00 3.45 H new ATOM 1246 N THR A 82 23.696 13.953 14.026 1.00 2.30 N ATOM 1247 CA THR A 82 24.707 13.851 15.132 1.00 2.40 C ATOM 1248 C THR A 82 26.134 13.755 14.558 1.00 2.33 C ATOM 1249 O THR A 82 26.783 12.734 14.685 1.00 2.42 O ATOM 1250 CB THR A 82 24.350 12.573 15.920 1.00 2.50 C ATOM 1251 OG1 THR A 82 23.773 11.593 15.062 1.00 2.46 O ATOM 1252 CG2 THR A 82 23.351 12.917 17.023 1.00 2.88 C ATOM 0 H THR A 82 23.724 13.195 13.344 1.00 2.30 H new ATOM 0 HA THR A 82 24.684 14.732 15.773 1.00 2.40 H new ATOM 0 HB THR A 82 25.265 12.169 16.352 1.00 2.50 H new ATOM 0 HG1 THR A 82 24.317 11.507 14.252 1.00 2.46 H new ATOM 0 HG21 THR A 82 23.099 12.015 17.580 1.00 2.88 H new ATOM 0 HG22 THR A 82 23.793 13.649 17.699 1.00 2.88 H new ATOM 0 HG23 THR A 82 22.447 13.334 16.578 1.00 2.88 H new ATOM 1260 N PRO A 83 26.580 14.830 13.941 1.00 2.26 N ATOM 1261 CA PRO A 83 27.949 14.856 13.350 1.00 2.24 C ATOM 1262 C PRO A 83 29.040 15.068 14.420 1.00 2.46 C ATOM 1263 O PRO A 83 30.217 14.961 14.128 1.00 2.61 O ATOM 1264 CB PRO A 83 27.903 16.050 12.400 1.00 2.14 C ATOM 1265 CG PRO A 83 26.837 16.952 12.945 1.00 2.19 C ATOM 1266 CD PRO A 83 25.864 16.097 13.721 1.00 2.24 C ATOM 0 HA PRO A 83 28.200 13.914 12.862 1.00 2.24 H new ATOM 0 HB2 PRO A 83 28.866 16.559 12.362 1.00 2.14 H new ATOM 0 HB3 PRO A 83 27.669 15.734 11.383 1.00 2.14 H new ATOM 0 HG2 PRO A 83 27.274 17.715 13.589 1.00 2.19 H new ATOM 0 HG3 PRO A 83 26.326 17.473 12.135 1.00 2.19 H new ATOM 0 HD2 PRO A 83 25.589 16.566 14.665 1.00 2.24 H new ATOM 0 HD3 PRO A 83 24.941 15.940 13.163 1.00 2.24 H new ATOM 1274 N ASN A 84 28.664 15.394 15.638 1.00 2.54 N ATOM 1275 CA ASN A 84 29.670 15.646 16.731 1.00 2.78 C ATOM 1276 C ASN A 84 30.424 16.960 16.455 1.00 2.73 C ATOM 1277 O ASN A 84 30.493 17.833 17.300 1.00 2.82 O ATOM 1278 CB ASN A 84 30.620 14.436 16.722 1.00 3.06 C ATOM 1279 CG ASN A 84 30.918 13.999 18.159 1.00 3.20 C ATOM 1280 OD1 ASN A 84 30.434 14.587 19.103 1.00 3.61 O ATOM 1281 ND2 ASN A 84 31.702 12.983 18.372 1.00 3.27 N ATOM 0 H ASN A 84 27.691 15.498 15.927 1.00 2.54 H new ATOM 0 HA ASN A 84 29.199 15.754 17.708 1.00 2.78 H new ATOM 0 HB2 ASN A 84 30.169 13.613 16.168 1.00 3.06 H new ATOM 0 HB3 ASN A 84 31.548 14.694 16.211 1.00 3.06 H new ATOM 0 HD21 ASN A 84 31.905 12.687 19.327 1.00 3.27 H new ATOM 0 HD22 ASN A 84 32.114 12.482 17.584 1.00 3.27 H new ATOM 1288 N GLY A 85 30.966 17.108 15.272 1.00 2.65 N ATOM 1289 CA GLY A 85 31.698 18.360 14.906 1.00 2.71 C ATOM 1290 C GLY A 85 31.110 18.924 13.602 1.00 2.45 C ATOM 1291 O GLY A 85 30.934 18.195 12.643 1.00 2.34 O ATOM 0 H GLY A 85 30.932 16.405 14.534 1.00 2.65 H new ATOM 0 HA2 GLY A 85 31.610 19.094 15.707 1.00 2.71 H new ATOM 0 HA3 GLY A 85 32.760 18.151 14.780 1.00 2.71 H new ATOM 1295 N PRO A 86 30.826 20.210 13.595 1.00 2.51 N ATOM 1296 CA PRO A 86 30.257 20.852 12.375 1.00 2.50 C ATOM 1297 C PRO A 86 31.274 20.844 11.219 1.00 2.78 C ATOM 1298 O PRO A 86 30.907 21.016 10.068 1.00 2.81 O ATOM 1299 CB PRO A 86 29.921 22.271 12.839 1.00 2.81 C ATOM 1300 CG PRO A 86 30.822 22.512 14.009 1.00 2.99 C ATOM 1301 CD PRO A 86 31.006 21.179 14.688 1.00 2.75 C ATOM 0 HA PRO A 86 29.384 20.330 11.982 1.00 2.50 H new ATOM 0 HB2 PRO A 86 30.097 22.999 12.047 1.00 2.81 H new ATOM 0 HB3 PRO A 86 28.872 22.357 13.123 1.00 2.81 H new ATOM 0 HG2 PRO A 86 31.780 22.917 13.684 1.00 2.99 H new ATOM 0 HG3 PRO A 86 30.384 23.239 14.693 1.00 2.99 H new ATOM 0 HD2 PRO A 86 31.993 21.093 15.143 1.00 2.75 H new ATOM 0 HD3 PRO A 86 30.275 21.029 15.482 1.00 2.75 H new ATOM 1309 N GLU A 87 32.537 20.624 11.511 1.00 3.10 N ATOM 1310 CA GLU A 87 33.587 20.574 10.430 1.00 3.53 C ATOM 1311 C GLU A 87 33.147 19.649 9.290 1.00 3.33 C ATOM 1312 O GLU A 87 33.309 19.958 8.125 1.00 3.53 O ATOM 1313 CB GLU A 87 34.866 20.017 11.087 1.00 3.94 C ATOM 1314 CG GLU A 87 34.539 18.883 12.076 1.00 3.71 C ATOM 1315 CD GLU A 87 34.730 19.375 13.511 1.00 3.73 C ATOM 1316 OE1 GLU A 87 33.963 20.229 13.928 1.00 3.51 O ATOM 1317 OE2 GLU A 87 35.629 18.885 14.169 1.00 4.11 O ATOM 0 H GLU A 87 32.891 20.476 12.456 1.00 3.10 H new ATOM 0 HA GLU A 87 33.751 21.565 10.006 1.00 3.53 H new ATOM 0 HB2 GLU A 87 35.542 19.646 10.316 1.00 3.94 H new ATOM 0 HB3 GLU A 87 35.388 20.819 11.609 1.00 3.94 H new ATOM 0 HG2 GLU A 87 33.512 18.547 11.931 1.00 3.71 H new ATOM 0 HG3 GLU A 87 35.185 18.026 11.887 1.00 3.71 H new ATOM 1324 N VAL A 88 32.593 18.519 9.630 1.00 3.03 N ATOM 1325 CA VAL A 88 32.125 17.547 8.592 1.00 2.90 C ATOM 1326 C VAL A 88 30.655 17.814 8.218 1.00 2.39 C ATOM 1327 O VAL A 88 30.209 17.435 7.149 1.00 2.32 O ATOM 1328 CB VAL A 88 32.295 16.158 9.234 1.00 3.05 C ATOM 1329 CG1 VAL A 88 31.206 15.910 10.284 1.00 2.71 C ATOM 1330 CG2 VAL A 88 32.198 15.078 8.155 1.00 3.23 C ATOM 0 H VAL A 88 32.441 18.220 10.593 1.00 3.03 H new ATOM 0 HA VAL A 88 32.693 17.632 7.665 1.00 2.90 H new ATOM 0 HB VAL A 88 33.271 16.120 9.717 1.00 3.05 H new ATOM 0 HG11 VAL A 88 31.344 14.923 10.726 1.00 2.71 H new ATOM 0 HG12 VAL A 88 31.273 16.669 11.064 1.00 2.71 H new ATOM 0 HG13 VAL A 88 30.226 15.961 9.811 1.00 2.71 H new ATOM 0 HG21 VAL A 88 32.319 14.096 8.612 1.00 3.23 H new ATOM 0 HG22 VAL A 88 31.224 15.135 7.669 1.00 3.23 H new ATOM 0 HG23 VAL A 88 32.982 15.232 7.414 1.00 3.23 H new ATOM 1340 N HIS A 89 29.901 18.453 9.096 1.00 2.12 N ATOM 1341 CA HIS A 89 28.448 18.751 8.823 1.00 1.83 C ATOM 1342 C HIS A 89 27.629 17.447 8.771 1.00 1.57 C ATOM 1343 O HIS A 89 26.687 17.273 9.524 1.00 1.58 O ATOM 1344 CB HIS A 89 28.407 19.502 7.479 1.00 2.08 C ATOM 1345 CG HIS A 89 28.194 20.974 7.729 1.00 2.49 C ATOM 1346 ND1 HIS A 89 29.028 21.709 8.559 1.00 2.77 N ATOM 1347 CD2 HIS A 89 27.251 21.861 7.267 1.00 2.86 C ATOM 1348 CE1 HIS A 89 28.576 22.977 8.569 1.00 3.21 C ATOM 1349 NE2 HIS A 89 27.495 23.125 7.799 1.00 3.32 N ATOM 0 H HIS A 89 30.236 18.784 10.001 1.00 2.12 H new ATOM 0 HA HIS A 89 28.006 19.357 9.614 1.00 1.83 H new ATOM 0 HB2 HIS A 89 29.339 19.346 6.935 1.00 2.08 H new ATOM 0 HB3 HIS A 89 27.604 19.109 6.855 1.00 2.08 H new ATOM 0 HD1 HIS A 89 29.837 21.353 9.069 1.00 2.77 H new ATOM 0 HD2 HIS A 89 26.443 21.615 6.594 1.00 2.86 H new ATOM 0 HE1 HIS A 89 29.032 23.778 9.132 1.00 3.21 H new ATOM 1357 N GLY A 90 27.986 16.530 7.907 1.00 1.58 N ATOM 1358 CA GLY A 90 27.243 15.234 7.818 1.00 1.68 C ATOM 1359 C GLY A 90 26.469 15.137 6.498 1.00 1.55 C ATOM 1360 O GLY A 90 26.718 15.935 5.605 1.00 1.78 O ATOM 1361 OXT GLY A 90 25.634 14.258 6.398 1.00 1.64 O ATOM 0 H GLY A 90 28.765 16.624 7.255 1.00 1.58 H new ATOM 0 HA2 GLY A 90 27.943 14.402 7.895 1.00 1.68 H new ATOM 0 HA3 GLY A 90 26.552 15.148 8.657 1.00 1.68 H new TER 1365 GLY A 90