USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 980 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 113 SER OG : rot -37:sc= 0.162 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= -0.0243 USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= -1.34! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.52 K(o=-1.9,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0705 (180deg=-0.389) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00956 X(o=-0.0096,f=0) USER MOD Single : A 35 THR OG1 : rot 160:sc= -0.0165 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -110:sc= -0.352! USER MOD Single : A 48 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.5) USER MOD Single : A 55 HIS : no HE2:sc= -0.0529 K(o=-0.053,f=-0.74) USER MOD Single : A 58 HIS : no HD1:sc= -0.777 K(o=-0.78,f=-0.25) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 67 ASN : amide:sc= -0.771 K(o=-0.77,f=0) USER MOD Single : A 71 THR OG1 : rot -24:sc= -0.821! USER MOD Single : A 73 ASN : amide:sc= -1.11! C(o=-1.1!,f=-5.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000889 USER MOD Single : A 81 MET CE :methyl -138:sc= -0.272 (180deg=-1.94) USER MOD Single : A 92 TYR OH : rot 15:sc= 0.274 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 1.32 (180deg=0.959) USER MOD Single : A 105 ASN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.606 K(o=-0.61,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.093 -15.140 4.630 1.00 9.84 N ATOM 2 CA GLY A 1 -28.126 -14.256 5.321 1.00 9.33 C ATOM 3 C GLY A 1 -26.771 -14.256 4.648 1.00 8.55 C ATOM 4 O GLY A 1 -26.024 -15.233 4.736 1.00 8.34 O ATOM 0 H1 GLY A 1 -30.007 -15.109 5.125 1.00 9.84 H new ATOM 0 H2 GLY A 1 -29.219 -14.817 3.649 1.00 9.84 H new ATOM 0 H3 GLY A 1 -28.733 -16.116 4.630 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -28.518 -13.239 5.345 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -28.016 -14.579 6.356 1.00 9.33 H new ATOM 10 N ALA A 2 -26.455 -13.168 3.961 1.00 8.39 N ATOM 11 CA ALA A 2 -25.178 -13.038 3.281 1.00 7.95 C ATOM 12 C ALA A 2 -24.361 -11.907 3.892 1.00 7.24 C ATOM 13 O ALA A 2 -23.371 -11.455 3.316 1.00 7.25 O ATOM 14 CB ALA A 2 -25.392 -12.803 1.793 1.00 8.62 C ATOM 0 H ALA A 2 -27.069 -12.360 3.861 1.00 8.39 H new ATOM 0 HA ALA A 2 -24.622 -13.967 3.406 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -24.426 -12.708 1.297 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -25.937 -13.645 1.366 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -25.966 -11.888 1.648 1.00 8.62 H new ATOM 20 N MET A 3 -24.790 -11.447 5.059 1.00 6.97 N ATOM 21 CA MET A 3 -24.092 -10.378 5.760 1.00 6.66 C ATOM 22 C MET A 3 -22.879 -10.935 6.499 1.00 5.89 C ATOM 23 O MET A 3 -22.766 -12.147 6.696 1.00 5.94 O ATOM 24 CB MET A 3 -25.036 -9.666 6.738 1.00 7.35 C ATOM 25 CG MET A 3 -25.625 -10.579 7.803 1.00 8.09 C ATOM 26 SD MET A 3 -26.872 -9.758 8.818 1.00 8.78 S ATOM 27 CE MET A 3 -25.904 -8.446 9.562 1.00 9.31 C ATOM 0 H MET A 3 -25.618 -11.797 5.541 1.00 6.97 H new ATOM 0 HA MET A 3 -23.749 -9.650 5.025 1.00 6.66 H new ATOM 0 HB2 MET A 3 -24.494 -8.857 7.227 1.00 7.35 H new ATOM 0 HB3 MET A 3 -25.850 -9.209 6.175 1.00 7.35 H new ATOM 0 HG2 MET A 3 -26.071 -11.450 7.322 1.00 8.09 H new ATOM 0 HG3 MET A 3 -24.824 -10.944 8.445 1.00 8.09 H new ATOM 0 HE1 MET A 3 -26.451 -8.023 10.404 1.00 9.31 H new ATOM 0 HE2 MET A 3 -24.954 -8.849 9.912 1.00 9.31 H new ATOM 0 HE3 MET A 3 -25.717 -7.667 8.822 1.00 9.31 H new ATOM 37 N GLY A 4 -21.976 -10.052 6.903 1.00 5.55 N ATOM 38 CA GLY A 4 -20.748 -10.487 7.536 1.00 5.17 C ATOM 39 C GLY A 4 -19.783 -11.067 6.526 1.00 4.35 C ATOM 40 O GLY A 4 -19.084 -12.040 6.806 1.00 4.64 O ATOM 0 H GLY A 4 -22.073 -9.041 6.803 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -20.281 -9.644 8.046 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -20.974 -11.234 8.297 1.00 5.17 H new ATOM 44 N MET A 5 -19.762 -10.473 5.341 1.00 3.80 N ATOM 45 CA MET A 5 -18.914 -10.943 4.254 1.00 3.46 C ATOM 46 C MET A 5 -18.381 -9.760 3.456 1.00 2.69 C ATOM 47 O MET A 5 -17.169 -9.542 3.386 1.00 3.15 O ATOM 48 CB MET A 5 -19.695 -11.869 3.309 1.00 4.10 C ATOM 49 CG MET A 5 -20.246 -13.129 3.961 1.00 4.56 C ATOM 50 SD MET A 5 -21.177 -14.145 2.796 1.00 5.55 S ATOM 51 CE MET A 5 -21.705 -15.481 3.860 1.00 6.19 C ATOM 0 H MET A 5 -20.328 -9.657 5.107 1.00 3.80 H new ATOM 0 HA MET A 5 -18.085 -11.499 4.693 1.00 3.46 H new ATOM 0 HB2 MET A 5 -20.524 -11.308 2.877 1.00 4.10 H new ATOM 0 HB3 MET A 5 -19.042 -12.159 2.486 1.00 4.10 H new ATOM 0 HG2 MET A 5 -19.423 -13.713 4.373 1.00 4.56 H new ATOM 0 HG3 MET A 5 -20.890 -12.853 4.796 1.00 4.56 H new ATOM 0 HE1 MET A 5 -22.294 -16.194 3.283 1.00 6.19 H new ATOM 0 HE2 MET A 5 -20.831 -15.983 4.274 1.00 6.19 H new ATOM 0 HE3 MET A 5 -22.313 -15.081 4.672 1.00 6.19 H new ATOM 61 N SER A 6 -19.301 -9.002 2.866 1.00 2.04 N ATOM 62 CA SER A 6 -18.963 -7.869 2.006 1.00 1.62 C ATOM 63 C SER A 6 -18.006 -8.286 0.878 1.00 1.22 C ATOM 64 O SER A 6 -16.934 -7.694 0.714 1.00 1.33 O ATOM 65 CB SER A 6 -18.347 -6.744 2.840 1.00 2.15 C ATOM 66 OG SER A 6 -19.214 -6.366 3.899 1.00 2.78 O ATOM 0 H SER A 6 -20.304 -9.155 2.970 1.00 2.04 H new ATOM 0 HA SER A 6 -19.882 -7.509 1.544 1.00 1.62 H new ATOM 0 HB2 SER A 6 -17.390 -7.070 3.247 1.00 2.15 H new ATOM 0 HB3 SER A 6 -18.146 -5.882 2.204 1.00 2.15 H new ATOM 0 HG SER A 6 -18.800 -5.647 4.420 1.00 2.78 H new ATOM 72 N PRO A 7 -18.386 -9.295 0.064 1.00 1.00 N ATOM 73 CA PRO A 7 -17.521 -9.810 -0.995 1.00 0.92 C ATOM 74 C PRO A 7 -17.496 -8.887 -2.205 1.00 0.83 C ATOM 75 O PRO A 7 -16.514 -8.833 -2.946 1.00 0.81 O ATOM 76 CB PRO A 7 -18.162 -11.149 -1.350 1.00 1.15 C ATOM 77 CG PRO A 7 -19.609 -10.959 -1.061 1.00 1.35 C ATOM 78 CD PRO A 7 -19.687 -9.997 0.098 1.00 1.22 C ATOM 0 HA PRO A 7 -16.481 -9.895 -0.679 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.997 -11.403 -2.397 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -17.742 -11.960 -0.755 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -20.130 -10.562 -1.932 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -20.083 -11.908 -0.811 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -20.519 -9.302 -0.015 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -19.834 -10.520 1.043 1.00 1.22 H new ATOM 86 N ASP A 8 -18.580 -8.147 -2.384 1.00 0.81 N ATOM 87 CA ASP A 8 -18.700 -7.210 -3.489 1.00 0.80 C ATOM 88 C ASP A 8 -17.966 -5.917 -3.154 1.00 0.67 C ATOM 89 O ASP A 8 -17.358 -5.294 -4.022 1.00 0.67 O ATOM 90 CB ASP A 8 -20.176 -6.926 -3.794 1.00 0.91 C ATOM 91 CG ASP A 8 -20.882 -6.207 -2.662 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.812 -6.687 -1.511 1.00 2.18 O ATOM 93 OD2 ASP A 8 -21.491 -5.148 -2.917 1.00 2.05 O ATOM 0 H ASP A 8 -19.395 -8.179 -1.772 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.247 -7.652 -4.377 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.246 -6.324 -4.700 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.688 -7.867 -3.996 1.00 0.91 H new ATOM 98 N THR A 9 -18.021 -5.527 -1.888 1.00 0.62 N ATOM 99 CA THR A 9 -17.280 -4.373 -1.407 1.00 0.58 C ATOM 100 C THR A 9 -15.782 -4.646 -1.480 1.00 0.49 C ATOM 101 O THR A 9 -15.004 -3.815 -1.953 1.00 0.46 O ATOM 102 CB THR A 9 -17.673 -4.042 0.042 1.00 0.64 C ATOM 103 OG1 THR A 9 -19.095 -3.885 0.133 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.981 -2.773 0.516 1.00 0.72 C ATOM 0 H THR A 9 -18.575 -5.998 -1.173 1.00 0.62 H new ATOM 0 HA THR A 9 -17.524 -3.521 -2.041 1.00 0.58 H new ATOM 0 HB THR A 9 -17.355 -4.865 0.683 1.00 0.64 H new ATOM 0 HG1 THR A 9 -19.342 -3.676 1.058 1.00 0.74 H new ATOM 0 HG21 THR A 9 -17.275 -2.560 1.544 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.900 -2.908 0.469 1.00 0.72 H new ATOM 0 HG23 THR A 9 -17.271 -1.940 -0.124 1.00 0.72 H new ATOM 112 N ALA A 10 -15.399 -5.836 -1.030 1.00 0.51 N ATOM 113 CA ALA A 10 -14.006 -6.250 -1.052 1.00 0.50 C ATOM 114 C ALA A 10 -13.490 -6.314 -2.483 1.00 0.48 C ATOM 115 O ALA A 10 -12.371 -5.891 -2.767 1.00 0.45 O ATOM 116 CB ALA A 10 -13.840 -7.596 -0.367 1.00 0.60 C ATOM 0 H ALA A 10 -16.038 -6.531 -0.645 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.419 -5.511 -0.507 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.791 -7.890 -0.393 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -14.170 -7.520 0.669 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.440 -8.344 -0.885 1.00 0.60 H new ATOM 122 N ARG A 11 -14.325 -6.821 -3.385 1.00 0.54 N ATOM 123 CA ARG A 11 -13.943 -6.949 -4.785 1.00 0.59 C ATOM 124 C ARG A 11 -13.824 -5.577 -5.443 1.00 0.52 C ATOM 125 O ARG A 11 -12.944 -5.356 -6.272 1.00 0.52 O ATOM 126 CB ARG A 11 -14.947 -7.814 -5.552 1.00 0.74 C ATOM 127 CG ARG A 11 -14.573 -8.013 -7.012 1.00 1.02 C ATOM 128 CD ARG A 11 -15.536 -8.942 -7.728 1.00 1.21 C ATOM 129 NE ARG A 11 -15.132 -9.157 -9.115 1.00 1.97 N ATOM 130 CZ ARG A 11 -15.462 -10.224 -9.837 1.00 2.53 C ATOM 131 NH1 ARG A 11 -16.251 -11.162 -9.326 1.00 2.44 N ATOM 132 NH2 ARG A 11 -15.010 -10.346 -11.078 1.00 3.56 N ATOM 0 H ARG A 11 -15.267 -7.149 -3.171 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.969 -7.438 -4.819 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.023 -8.787 -5.067 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.933 -7.352 -5.496 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.559 -7.047 -7.517 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.564 -8.420 -7.075 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.578 -9.898 -7.207 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.541 -8.520 -7.701 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.558 -8.441 -9.560 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -16.607 -11.066 -8.375 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -16.501 -11.978 -9.884 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -14.411 -9.623 -11.476 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -15.261 -11.163 -11.634 1.00 3.56 H new ATOM 146 N ARG A 12 -14.704 -4.657 -5.065 1.00 0.51 N ATOM 147 CA ARG A 12 -14.699 -3.315 -5.637 1.00 0.51 C ATOM 148 C ARG A 12 -13.389 -2.605 -5.317 1.00 0.42 C ATOM 149 O ARG A 12 -12.743 -2.037 -6.203 1.00 0.41 O ATOM 150 CB ARG A 12 -15.874 -2.504 -5.095 1.00 0.57 C ATOM 151 CG ARG A 12 -16.141 -1.222 -5.869 1.00 1.31 C ATOM 152 CD ARG A 12 -17.312 -0.448 -5.285 1.00 1.38 C ATOM 153 NE ARG A 12 -18.516 -1.273 -5.179 1.00 2.05 N ATOM 154 CZ ARG A 12 -19.743 -0.856 -5.485 1.00 2.50 C ATOM 155 NH1 ARG A 12 -19.946 0.379 -5.930 1.00 2.39 N ATOM 156 NH2 ARG A 12 -20.772 -1.676 -5.335 1.00 3.49 N ATOM 0 H ARG A 12 -15.429 -4.815 -4.366 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.797 -3.402 -6.719 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.771 -3.123 -5.114 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.681 -2.255 -4.052 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -15.248 -0.596 -5.857 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -16.347 -1.462 -6.912 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.042 -0.072 -4.298 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.521 0.420 -5.910 1.00 1.38 H new ATOM 0 HE ARG A 12 -18.408 -2.232 -4.849 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.158 1.017 -6.040 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -20.890 0.689 -6.162 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -20.623 -2.623 -4.986 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -21.714 -1.361 -5.568 1.00 3.49 H new ATOM 170 N PHE A 13 -12.995 -2.658 -4.050 1.00 0.40 N ATOM 171 CA PHE A 13 -11.743 -2.055 -3.612 1.00 0.37 C ATOM 172 C PHE A 13 -10.569 -2.732 -4.313 1.00 0.33 C ATOM 173 O PHE A 13 -9.634 -2.072 -4.767 1.00 0.33 O ATOM 174 CB PHE A 13 -11.602 -2.169 -2.086 1.00 0.41 C ATOM 175 CG PHE A 13 -10.354 -1.533 -1.529 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.181 -2.262 -1.408 1.00 0.46 C ATOM 177 CD2 PHE A 13 -10.353 -0.203 -1.132 1.00 0.43 C ATOM 178 CE1 PHE A 13 -8.035 -1.678 -0.899 1.00 0.51 C ATOM 179 CE2 PHE A 13 -9.211 0.384 -0.624 1.00 0.48 C ATOM 180 CZ PHE A 13 -8.052 -0.362 -0.494 1.00 0.50 C ATOM 0 H PHE A 13 -13.526 -3.113 -3.307 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.745 -0.998 -3.876 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.471 -1.708 -1.617 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.613 -3.223 -1.810 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -9.162 -3.297 -1.715 1.00 0.46 H new ATOM 0 HD2 PHE A 13 -11.257 0.381 -1.222 1.00 0.43 H new ATOM 0 HE1 PHE A 13 -7.126 -2.255 -0.819 1.00 0.51 H new ATOM 0 HE2 PHE A 13 -9.222 1.423 -0.329 1.00 0.48 H new ATOM 0 HZ PHE A 13 -7.163 0.087 -0.076 1.00 0.50 H new ATOM 190 N ASP A 14 -10.648 -4.051 -4.420 1.00 0.35 N ATOM 191 CA ASP A 14 -9.607 -4.847 -5.058 1.00 0.37 C ATOM 192 C ASP A 14 -9.465 -4.493 -6.536 1.00 0.34 C ATOM 193 O ASP A 14 -8.357 -4.385 -7.056 1.00 0.37 O ATOM 194 CB ASP A 14 -9.934 -6.336 -4.916 1.00 0.47 C ATOM 195 CG ASP A 14 -8.840 -7.236 -5.449 1.00 0.58 C ATOM 196 OD1 ASP A 14 -8.815 -7.498 -6.672 1.00 0.65 O ATOM 197 OD2 ASP A 14 -8.010 -7.699 -4.644 1.00 0.87 O ATOM 0 H ASP A 14 -11.433 -4.599 -4.068 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.662 -4.627 -4.562 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -10.106 -6.566 -3.864 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.863 -6.550 -5.445 1.00 0.47 H new ATOM 202 N THR A 15 -10.591 -4.289 -7.198 1.00 0.33 N ATOM 203 CA THR A 15 -10.598 -4.083 -8.636 1.00 0.34 C ATOM 204 C THR A 15 -10.227 -2.648 -9.015 1.00 0.33 C ATOM 205 O THR A 15 -9.420 -2.432 -9.922 1.00 0.37 O ATOM 206 CB THR A 15 -11.967 -4.440 -9.245 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.349 -5.761 -8.837 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.923 -4.377 -10.764 1.00 1.34 C ATOM 0 H THR A 15 -11.513 -4.262 -6.762 1.00 0.33 H new ATOM 0 HA THR A 15 -9.840 -4.750 -9.046 1.00 0.34 H new ATOM 0 HB THR A 15 -12.697 -3.714 -8.888 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.775 -5.721 -7.955 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.903 -4.634 -11.167 1.00 1.34 H new ATOM 0 HG22 THR A 15 -11.654 -3.369 -11.079 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.181 -5.084 -11.136 1.00 1.34 H new ATOM 216 N GLU A 16 -10.804 -1.663 -8.337 1.00 0.33 N ATOM 217 CA GLU A 16 -10.574 -0.278 -8.727 1.00 0.39 C ATOM 218 C GLU A 16 -9.496 0.399 -7.879 1.00 0.37 C ATOM 219 O GLU A 16 -8.583 1.015 -8.417 1.00 0.46 O ATOM 220 CB GLU A 16 -11.870 0.529 -8.666 1.00 0.48 C ATOM 221 CG GLU A 16 -11.716 1.944 -9.209 1.00 0.60 C ATOM 222 CD GLU A 16 -11.226 1.967 -10.647 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.061 1.884 -11.572 1.00 1.27 O ATOM 224 OE2 GLU A 16 -10.000 2.077 -10.862 1.00 1.81 O ATOM 0 H GLU A 16 -11.420 -1.792 -7.534 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.214 -0.302 -9.756 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.642 0.010 -9.234 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.213 0.578 -7.633 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -12.674 2.459 -9.147 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.016 2.496 -8.582 1.00 0.60 H new ATOM 231 N PHE A 17 -9.569 0.238 -6.565 1.00 0.31 N ATOM 232 CA PHE A 17 -8.744 1.039 -5.658 1.00 0.32 C ATOM 233 C PHE A 17 -7.328 0.490 -5.530 1.00 0.30 C ATOM 234 O PHE A 17 -6.360 1.238 -5.647 1.00 0.33 O ATOM 235 CB PHE A 17 -9.391 1.134 -4.273 1.00 0.37 C ATOM 236 CG PHE A 17 -10.643 1.973 -4.233 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.819 1.513 -4.810 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.646 3.224 -3.630 1.00 0.64 C ATOM 239 CE1 PHE A 17 -12.968 2.281 -4.784 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.792 3.994 -3.603 1.00 0.72 C ATOM 241 CZ PHE A 17 -12.952 3.523 -4.138 1.00 0.57 C ATOM 0 H PHE A 17 -10.183 -0.432 -6.102 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.677 2.036 -6.093 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.629 0.129 -3.926 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.666 1.549 -3.573 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.836 0.543 -5.285 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.741 3.599 -3.176 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.871 1.926 -5.258 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.768 4.976 -3.155 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.858 4.106 -4.064 1.00 0.57 H new ATOM 251 N ALA A 18 -7.210 -0.812 -5.294 1.00 0.29 N ATOM 252 CA ALA A 18 -5.907 -1.439 -5.087 1.00 0.30 C ATOM 253 C ALA A 18 -4.935 -1.184 -6.252 1.00 0.29 C ATOM 254 O ALA A 18 -3.780 -0.825 -6.011 1.00 0.30 O ATOM 255 CB ALA A 18 -6.060 -2.930 -4.816 1.00 0.32 C ATOM 0 H ALA A 18 -8.000 -1.455 -5.241 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.467 -0.970 -4.207 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.077 -3.375 -4.665 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.666 -3.077 -3.922 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.547 -3.406 -5.667 1.00 0.32 H new ATOM 261 N PRO A 19 -5.360 -1.357 -7.529 1.00 0.30 N ATOM 262 CA PRO A 19 -4.503 -1.046 -8.681 1.00 0.32 C ATOM 263 C PRO A 19 -4.045 0.410 -8.688 1.00 0.31 C ATOM 264 O PRO A 19 -2.929 0.712 -9.101 1.00 0.32 O ATOM 265 CB PRO A 19 -5.401 -1.326 -9.891 1.00 0.37 C ATOM 266 CG PRO A 19 -6.398 -2.300 -9.386 1.00 0.35 C ATOM 267 CD PRO A 19 -6.663 -1.895 -7.967 1.00 0.31 C ATOM 0 HA PRO A 19 -3.587 -1.636 -8.671 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.880 -0.415 -10.250 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.830 -1.736 -10.724 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.311 -2.272 -9.980 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.014 -3.319 -9.439 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.452 -1.146 -7.901 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.976 -2.742 -7.357 1.00 0.31 H new ATOM 275 N ARG A 20 -4.903 1.306 -8.205 1.00 0.32 N ATOM 276 CA ARG A 20 -4.573 2.728 -8.169 1.00 0.35 C ATOM 277 C ARG A 20 -3.456 2.973 -7.171 1.00 0.30 C ATOM 278 O ARG A 20 -2.546 3.759 -7.424 1.00 0.31 O ATOM 279 CB ARG A 20 -5.787 3.584 -7.791 1.00 0.43 C ATOM 280 CG ARG A 20 -6.970 3.443 -8.732 1.00 1.07 C ATOM 281 CD ARG A 20 -6.614 3.814 -10.160 1.00 1.40 C ATOM 282 NE ARG A 20 -7.745 3.615 -11.063 1.00 1.95 N ATOM 283 CZ ARG A 20 -7.870 4.201 -12.250 1.00 2.73 C ATOM 284 NH1 ARG A 20 -6.941 5.039 -12.693 1.00 3.15 N ATOM 285 NH2 ARG A 20 -8.937 3.950 -12.992 1.00 3.58 N ATOM 0 H ARG A 20 -5.825 1.075 -7.836 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.252 3.017 -9.170 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.106 3.316 -6.784 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.484 4.631 -7.762 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -7.333 2.416 -8.705 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -7.785 4.078 -8.386 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -6.296 4.856 -10.198 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -5.770 3.211 -10.494 1.00 1.40 H new ATOM 0 HE ARG A 20 -8.488 2.984 -10.763 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -6.120 5.239 -12.121 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -7.048 5.483 -13.605 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -9.656 3.311 -12.652 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -9.040 4.395 -13.904 1.00 3.58 H new ATOM 299 N ILE A 21 -3.525 2.273 -6.046 1.00 0.28 N ATOM 300 CA ILE A 21 -2.521 2.403 -5.002 1.00 0.28 C ATOM 301 C ILE A 21 -1.179 1.891 -5.503 1.00 0.24 C ATOM 302 O ILE A 21 -0.166 2.581 -5.415 1.00 0.25 O ATOM 303 CB ILE A 21 -2.910 1.615 -3.731 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.316 2.006 -3.260 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.893 1.868 -2.624 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.835 1.168 -2.106 1.00 0.38 C ATOM 0 H ILE A 21 -4.269 1.608 -5.834 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.453 3.461 -4.748 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.912 0.552 -3.972 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.309 3.054 -2.961 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.007 1.918 -4.099 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.178 1.308 -1.733 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.906 1.545 -2.956 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.867 2.932 -2.390 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.834 1.506 -1.831 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.876 0.121 -2.406 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.168 1.274 -1.250 1.00 0.38 H new ATOM 318 N ALA A 22 -1.190 0.684 -6.055 1.00 0.23 N ATOM 319 CA ALA A 22 0.027 0.043 -6.532 1.00 0.23 C ATOM 320 C ALA A 22 0.655 0.822 -7.679 1.00 0.24 C ATOM 321 O ALA A 22 1.878 0.915 -7.776 1.00 0.28 O ATOM 322 CB ALA A 22 -0.268 -1.383 -6.959 1.00 0.25 C ATOM 0 H ALA A 22 -2.035 0.127 -6.183 1.00 0.23 H new ATOM 0 HA ALA A 22 0.744 0.029 -5.711 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.649 -1.854 -7.314 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.658 -1.944 -6.110 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.007 -1.377 -7.760 1.00 0.25 H new ATOM 328 N ARG A 23 -0.184 1.385 -8.537 1.00 0.27 N ATOM 329 CA ARG A 23 0.286 2.163 -9.675 1.00 0.34 C ATOM 330 C ARG A 23 0.892 3.482 -9.210 1.00 0.30 C ATOM 331 O ARG A 23 1.946 3.893 -9.696 1.00 0.31 O ATOM 332 CB ARG A 23 -0.868 2.421 -10.647 1.00 0.47 C ATOM 333 CG ARG A 23 -0.488 3.250 -11.863 1.00 1.16 C ATOM 334 CD ARG A 23 -1.682 3.449 -12.779 1.00 1.33 C ATOM 335 NE ARG A 23 -1.386 4.353 -13.890 1.00 1.85 N ATOM 336 CZ ARG A 23 -2.316 4.891 -14.674 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.596 4.594 -14.487 1.00 2.41 N ATOM 338 NH2 ARG A 23 -1.967 5.722 -15.649 1.00 3.36 N ATOM 0 H ARG A 23 -1.199 1.317 -8.466 1.00 0.27 H new ATOM 0 HA ARG A 23 1.060 1.593 -10.190 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.265 1.463 -10.984 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.671 2.928 -10.113 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -0.106 4.219 -11.542 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.315 2.755 -12.409 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.999 2.484 -13.174 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.517 3.847 -12.202 1.00 1.33 H new ATOM 0 HE ARG A 23 -0.410 4.584 -14.074 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.867 3.953 -13.742 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -4.309 5.007 -15.089 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -0.984 5.949 -15.798 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -2.682 6.133 -16.249 1.00 3.36 H new ATOM 352 N ALA A 24 0.226 4.130 -8.260 1.00 0.29 N ATOM 353 CA ALA A 24 0.706 5.393 -7.715 1.00 0.31 C ATOM 354 C ALA A 24 2.038 5.202 -7.000 1.00 0.29 C ATOM 355 O ALA A 24 2.951 6.011 -7.147 1.00 0.31 O ATOM 356 CB ALA A 24 -0.322 5.989 -6.768 1.00 0.35 C ATOM 0 H ALA A 24 -0.649 3.800 -7.852 1.00 0.29 H new ATOM 0 HA ALA A 24 0.858 6.085 -8.543 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.053 6.932 -6.370 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.253 6.167 -7.307 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.505 5.296 -5.947 1.00 0.35 H new ATOM 362 N ILE A 25 2.139 4.123 -6.233 1.00 0.27 N ATOM 363 CA ILE A 25 3.369 3.796 -5.526 1.00 0.30 C ATOM 364 C ILE A 25 4.486 3.462 -6.510 1.00 0.30 C ATOM 365 O ILE A 25 5.615 3.933 -6.369 1.00 0.33 O ATOM 366 CB ILE A 25 3.167 2.608 -4.561 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.174 2.978 -3.454 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.497 2.177 -3.961 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.880 1.839 -2.501 1.00 1.05 C ATOM 0 H ILE A 25 1.380 3.458 -6.085 1.00 0.27 H new ATOM 0 HA ILE A 25 3.649 4.674 -4.945 1.00 0.30 H new ATOM 0 HB ILE A 25 2.756 1.771 -5.126 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.570 3.821 -2.888 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.241 3.310 -3.910 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.336 1.339 -3.283 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.175 1.874 -4.759 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.935 3.010 -3.410 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.170 2.172 -1.744 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.454 1.002 -3.055 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.804 1.522 -2.017 1.00 1.05 H new ATOM 381 N ALA A 26 4.159 2.656 -7.513 1.00 0.31 N ATOM 382 CA ALA A 26 5.121 2.271 -8.536 1.00 0.36 C ATOM 383 C ALA A 26 5.675 3.499 -9.246 1.00 0.38 C ATOM 384 O ALA A 26 6.866 3.578 -9.549 1.00 0.40 O ATOM 385 CB ALA A 26 4.471 1.330 -9.536 1.00 0.42 C ATOM 0 H ALA A 26 3.230 2.255 -7.639 1.00 0.31 H new ATOM 0 HA ALA A 26 5.950 1.754 -8.053 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.199 1.048 -10.297 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.121 0.436 -9.020 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.626 1.830 -10.010 1.00 0.42 H new ATOM 391 N ASP A 27 4.794 4.456 -9.496 1.00 0.40 N ATOM 392 CA ASP A 27 5.169 5.711 -10.130 1.00 0.47 C ATOM 393 C ASP A 27 5.994 6.573 -9.183 1.00 0.45 C ATOM 394 O ASP A 27 6.960 7.218 -9.592 1.00 0.48 O ATOM 395 CB ASP A 27 3.914 6.469 -10.571 1.00 0.56 C ATOM 396 CG ASP A 27 4.210 7.899 -10.964 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.669 8.128 -12.103 1.00 0.86 O ATOM 398 OD2 ASP A 27 3.996 8.802 -10.131 1.00 0.80 O ATOM 0 H ASP A 27 3.803 4.385 -9.266 1.00 0.40 H new ATOM 0 HA ASP A 27 5.778 5.485 -11.005 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.458 5.951 -11.414 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.185 6.462 -9.760 1.00 0.56 H new ATOM 403 N LEU A 28 5.621 6.550 -7.910 1.00 0.42 N ATOM 404 CA LEU A 28 6.290 7.344 -6.889 1.00 0.46 C ATOM 405 C LEU A 28 7.734 6.882 -6.745 1.00 0.44 C ATOM 406 O LEU A 28 8.646 7.691 -6.569 1.00 0.49 O ATOM 407 CB LEU A 28 5.532 7.212 -5.550 1.00 0.49 C ATOM 408 CG LEU A 28 5.866 8.240 -4.457 1.00 0.90 C ATOM 409 CD1 LEU A 28 7.199 7.933 -3.793 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.866 9.646 -5.032 1.00 1.44 C ATOM 0 H LEU A 28 4.850 5.983 -7.558 1.00 0.42 H new ATOM 0 HA LEU A 28 6.292 8.394 -7.182 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.464 7.273 -5.758 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.723 6.217 -5.149 1.00 0.49 H new ATOM 0 HG LEU A 28 5.093 8.176 -3.691 1.00 0.90 H new ATOM 0 HD11 LEU A 28 7.404 8.679 -3.026 1.00 1.69 H new ATOM 0 HD12 LEU A 28 7.159 6.944 -3.336 1.00 1.69 H new ATOM 0 HD13 LEU A 28 7.992 7.955 -4.541 1.00 1.69 H new ATOM 0 HD21 LEU A 28 6.104 10.361 -4.245 1.00 1.44 H new ATOM 0 HD22 LEU A 28 6.612 9.715 -5.823 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.881 9.872 -5.441 1.00 1.44 H new ATOM 422 N LEU A 29 7.939 5.579 -6.850 1.00 0.40 N ATOM 423 CA LEU A 29 9.267 5.005 -6.722 1.00 0.41 C ATOM 424 C LEU A 29 9.941 4.891 -8.087 1.00 0.44 C ATOM 425 O LEU A 29 11.003 4.289 -8.216 1.00 0.48 O ATOM 426 CB LEU A 29 9.180 3.629 -6.060 1.00 0.38 C ATOM 427 CG LEU A 29 8.475 3.611 -4.701 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.378 2.192 -4.168 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.200 4.502 -3.704 1.00 0.49 C ATOM 0 H LEU A 29 7.200 4.898 -7.024 1.00 0.40 H new ATOM 0 HA LEU A 29 9.870 5.664 -6.097 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.657 2.950 -6.733 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.190 3.238 -5.934 1.00 0.38 H new ATOM 0 HG LEU A 29 7.466 4.000 -4.838 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.874 2.200 -3.202 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.811 1.578 -4.868 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.379 1.778 -4.051 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.681 4.473 -2.746 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.222 4.146 -3.574 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.217 5.526 -4.077 1.00 0.49 H new ATOM 441 N ASN A 30 9.292 5.465 -9.102 1.00 0.45 N ATOM 442 CA ASN A 30 9.814 5.495 -10.473 1.00 0.51 C ATOM 443 C ASN A 30 10.191 4.102 -10.967 1.00 0.49 C ATOM 444 O ASN A 30 11.160 3.938 -11.707 1.00 0.55 O ATOM 445 CB ASN A 30 11.022 6.434 -10.576 1.00 0.60 C ATOM 446 CG ASN A 30 10.657 7.883 -10.316 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.639 8.335 -9.169 1.00 1.36 O ATOM 448 ND2 ASN A 30 10.374 8.629 -11.374 1.00 1.44 N ATOM 0 H ASN A 30 8.387 5.924 -8.998 1.00 0.45 H new ATOM 0 HA ASN A 30 9.016 5.873 -11.112 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.783 6.121 -9.861 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.462 6.346 -11.569 1.00 0.60 H new ATOM 0 HD21 ASN A 30 10.131 9.612 -11.254 1.00 1.44 H new ATOM 0 HD22 ASN A 30 10.399 8.220 -12.308 1.00 1.44 H new ATOM 455 N HIS A 31 9.412 3.107 -10.546 1.00 0.46 N ATOM 456 CA HIS A 31 9.624 1.710 -10.940 1.00 0.50 C ATOM 457 C HIS A 31 10.971 1.168 -10.455 1.00 0.55 C ATOM 458 O HIS A 31 11.444 0.150 -10.954 1.00 0.67 O ATOM 459 CB HIS A 31 9.519 1.538 -12.463 1.00 0.60 C ATOM 460 CG HIS A 31 8.153 1.801 -13.018 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.940 2.410 -14.235 1.00 1.25 N ATOM 462 CD2 HIS A 31 6.926 1.518 -12.522 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.642 2.493 -14.461 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.005 1.959 -13.437 1.00 0.94 N ATOM 0 H HIS A 31 8.616 3.243 -9.923 1.00 0.46 H new ATOM 0 HA HIS A 31 8.834 1.134 -10.459 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.230 2.211 -12.943 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.815 0.522 -12.724 1.00 0.60 H new ATOM 0 HD2 HIS A 31 6.712 1.035 -11.580 1.00 1.11 H new ATOM 0 HE1 HIS A 31 6.180 2.925 -15.336 1.00 1.16 H new ATOM 0 HE2 HIS A 31 4.992 1.886 -13.341 1.00 0.94 H new ATOM 473 N ARG A 32 11.587 1.838 -9.484 1.00 0.53 N ATOM 474 CA ARG A 32 12.835 1.349 -8.898 1.00 0.61 C ATOM 475 C ARG A 32 12.555 0.153 -8.002 1.00 0.56 C ATOM 476 O ARG A 32 13.424 -0.686 -7.761 1.00 0.66 O ATOM 477 CB ARG A 32 13.536 2.453 -8.103 1.00 0.71 C ATOM 478 CG ARG A 32 14.174 3.526 -8.968 1.00 0.81 C ATOM 479 CD ARG A 32 15.309 2.963 -9.803 1.00 1.64 C ATOM 480 NE ARG A 32 16.078 4.010 -10.473 1.00 2.26 N ATOM 481 CZ ARG A 32 17.229 3.793 -11.109 1.00 3.24 C ATOM 482 NH1 ARG A 32 17.736 2.566 -11.173 1.00 3.73 N ATOM 483 NH2 ARG A 32 17.877 4.803 -11.673 1.00 4.08 N ATOM 0 H ARG A 32 11.247 2.714 -9.088 1.00 0.53 H new ATOM 0 HA ARG A 32 13.497 1.042 -9.707 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.813 2.921 -7.435 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.304 2.002 -7.475 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.420 3.963 -9.623 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.550 4.330 -8.335 1.00 0.81 H new ATOM 0 HD2 ARG A 32 15.973 2.381 -9.164 1.00 1.64 H new ATOM 0 HD3 ARG A 32 14.904 2.279 -10.549 1.00 1.64 H new ATOM 0 HE ARG A 32 15.713 4.962 -10.453 1.00 2.26 H new ATOM 0 HH11 ARG A 32 17.244 1.787 -10.735 1.00 3.73 H new ATOM 0 HH12 ARG A 32 18.617 2.403 -11.660 1.00 3.73 H new ATOM 0 HH21 ARG A 32 17.495 5.747 -11.620 1.00 4.08 H new ATOM 0 HH22 ARG A 32 18.758 4.636 -12.159 1.00 4.08 H new ATOM 497 N ALA A 33 11.332 0.097 -7.507 1.00 0.48 N ATOM 498 CA ALA A 33 10.855 -1.043 -6.752 1.00 0.45 C ATOM 499 C ALA A 33 9.702 -1.687 -7.506 1.00 0.43 C ATOM 500 O ALA A 33 9.107 -1.059 -8.384 1.00 0.49 O ATOM 501 CB ALA A 33 10.419 -0.614 -5.358 1.00 0.49 C ATOM 0 H ALA A 33 10.643 0.841 -7.618 1.00 0.48 H new ATOM 0 HA ALA A 33 11.660 -1.769 -6.638 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.063 -1.483 -4.804 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.265 -0.170 -4.833 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.616 0.119 -5.437 1.00 0.49 H new ATOM 507 N HIS A 34 9.394 -2.926 -7.179 1.00 0.39 N ATOM 508 CA HIS A 34 8.332 -3.653 -7.856 1.00 0.41 C ATOM 509 C HIS A 34 7.162 -3.846 -6.906 1.00 0.36 C ATOM 510 O HIS A 34 7.338 -4.312 -5.785 1.00 0.34 O ATOM 511 CB HIS A 34 8.858 -5.009 -8.354 1.00 0.48 C ATOM 512 CG HIS A 34 7.863 -5.803 -9.152 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.842 -5.815 -10.531 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.866 -6.632 -8.758 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.876 -6.614 -10.946 1.00 0.89 C ATOM 516 NE2 HIS A 34 6.269 -7.121 -9.892 1.00 0.80 N ATOM 0 H HIS A 34 9.865 -3.455 -6.445 1.00 0.39 H new ATOM 0 HA HIS A 34 7.992 -3.080 -8.719 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.744 -4.839 -8.966 1.00 0.48 H new ATOM 0 HB3 HIS A 34 9.172 -5.601 -7.495 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.592 -6.865 -7.740 1.00 0.63 H new ATOM 0 HE1 HIS A 34 6.625 -6.818 -11.977 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.483 -7.771 -9.916 1.00 0.80 H new ATOM 525 N THR A 35 5.973 -3.497 -7.353 1.00 0.38 N ATOM 526 CA THR A 35 4.799 -3.592 -6.507 1.00 0.36 C ATOM 527 C THR A 35 3.867 -4.693 -6.993 1.00 0.39 C ATOM 528 O THR A 35 3.805 -4.990 -8.188 1.00 0.45 O ATOM 529 CB THR A 35 4.050 -2.246 -6.453 1.00 0.41 C ATOM 530 OG1 THR A 35 3.847 -1.735 -7.779 1.00 0.49 O ATOM 531 CG2 THR A 35 4.836 -1.236 -5.635 1.00 0.41 C ATOM 0 H THR A 35 5.793 -3.146 -8.294 1.00 0.38 H new ATOM 0 HA THR A 35 5.134 -3.842 -5.500 1.00 0.36 H new ATOM 0 HB THR A 35 3.082 -2.412 -5.981 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.119 -1.079 -7.769 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.294 -0.291 -5.606 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.965 -1.611 -4.620 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.814 -1.080 -6.091 1.00 0.41 H new ATOM 539 N ASP A 36 3.168 -5.315 -6.058 1.00 0.38 N ATOM 540 CA ASP A 36 2.266 -6.409 -6.378 1.00 0.44 C ATOM 541 C ASP A 36 0.970 -6.253 -5.598 1.00 0.39 C ATOM 542 O ASP A 36 0.982 -5.845 -4.434 1.00 0.47 O ATOM 543 CB ASP A 36 2.922 -7.760 -6.057 1.00 0.56 C ATOM 544 CG ASP A 36 2.054 -8.943 -6.441 1.00 0.92 C ATOM 545 OD1 ASP A 36 2.080 -9.353 -7.622 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.348 -9.479 -5.564 1.00 1.56 O ATOM 0 H ASP A 36 3.208 -5.079 -5.066 1.00 0.38 H new ATOM 0 HA ASP A 36 2.045 -6.381 -7.445 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.875 -7.829 -6.582 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.141 -7.808 -4.990 1.00 0.56 H new ATOM 551 N VAL A 37 -0.139 -6.570 -6.241 1.00 0.37 N ATOM 552 CA VAL A 37 -1.441 -6.391 -5.627 1.00 0.37 C ATOM 553 C VAL A 37 -1.995 -7.727 -5.159 1.00 0.36 C ATOM 554 O VAL A 37 -2.354 -8.578 -5.972 1.00 0.48 O ATOM 555 CB VAL A 37 -2.446 -5.733 -6.596 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.754 -5.420 -5.886 1.00 0.50 C ATOM 557 CG2 VAL A 37 -1.862 -4.472 -7.212 1.00 0.54 C ATOM 0 H VAL A 37 -0.164 -6.952 -7.186 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.305 -5.729 -4.772 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.650 -6.442 -7.398 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.447 -4.957 -6.588 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.189 -6.342 -5.502 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.564 -4.736 -5.059 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.590 -4.028 -7.891 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -1.620 -3.760 -6.423 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -0.957 -4.723 -7.765 1.00 0.54 H new ATOM 567 N VAL A 38 -2.039 -7.915 -3.851 1.00 0.34 N ATOM 568 CA VAL A 38 -2.616 -9.115 -3.270 1.00 0.36 C ATOM 569 C VAL A 38 -4.122 -9.106 -3.481 1.00 0.42 C ATOM 570 O VAL A 38 -4.831 -8.272 -2.914 1.00 0.46 O ATOM 571 CB VAL A 38 -2.298 -9.224 -1.764 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.982 -10.431 -1.145 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.796 -9.292 -1.539 1.00 0.46 C ATOM 0 H VAL A 38 -1.680 -7.248 -3.168 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.176 -9.980 -3.767 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.684 -8.330 -1.275 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.740 -10.482 -0.084 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -4.061 -10.340 -1.267 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.636 -11.339 -1.640 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.591 -9.369 -0.471 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.391 -10.166 -2.050 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.328 -8.391 -1.935 1.00 0.46 H new ATOM 583 N GLY A 39 -4.595 -10.019 -4.314 1.00 0.58 N ATOM 584 CA GLY A 39 -5.989 -10.026 -4.691 1.00 0.74 C ATOM 585 C GLY A 39 -6.875 -10.738 -3.695 1.00 0.69 C ATOM 586 O GLY A 39 -6.462 -11.719 -3.069 1.00 0.84 O ATOM 0 H GLY A 39 -4.034 -10.758 -4.737 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.333 -8.998 -4.803 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.092 -10.504 -5.665 1.00 0.74 H new ATOM 590 N TYR A 40 -8.088 -10.235 -3.545 1.00 0.73 N ATOM 591 CA TYR A 40 -9.084 -10.861 -2.693 1.00 0.82 C ATOM 592 C TYR A 40 -9.628 -12.108 -3.378 1.00 1.19 C ATOM 593 O TYR A 40 -10.122 -12.041 -4.509 1.00 1.44 O ATOM 594 CB TYR A 40 -10.222 -9.875 -2.406 1.00 0.91 C ATOM 595 CG TYR A 40 -11.194 -10.338 -1.339 1.00 1.21 C ATOM 596 CD1 TYR A 40 -10.918 -10.161 0.013 1.00 1.29 C ATOM 597 CD2 TYR A 40 -12.384 -10.965 -1.689 1.00 1.66 C ATOM 598 CE1 TYR A 40 -11.803 -10.598 0.983 1.00 1.73 C ATOM 599 CE2 TYR A 40 -13.273 -11.400 -0.724 1.00 2.08 C ATOM 600 CZ TYR A 40 -12.978 -11.160 0.631 1.00 2.09 C ATOM 601 OH TYR A 40 -13.857 -11.658 1.568 1.00 2.57 O ATOM 0 H TYR A 40 -8.409 -9.385 -4.008 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.623 -11.146 -1.747 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -9.792 -8.921 -2.100 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.773 -9.695 -3.329 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -10.000 -9.676 0.310 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -12.618 -11.115 -2.733 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -11.552 -10.489 2.028 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -14.179 -11.916 -1.005 1.00 2.08 H new ATOM 0 HH TYR A 40 -14.647 -12.021 1.115 1.00 2.57 H new ATOM 611 N GLY A 41 -9.514 -13.245 -2.710 1.00 1.45 N ATOM 612 CA GLY A 41 -10.019 -14.480 -3.267 1.00 1.91 C ATOM 613 C GLY A 41 -11.366 -14.848 -2.690 1.00 2.10 C ATOM 614 O GLY A 41 -12.361 -14.172 -2.946 1.00 2.74 O ATOM 0 H GLY A 41 -9.080 -13.334 -1.791 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -10.102 -14.383 -4.350 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -9.309 -15.284 -3.072 1.00 1.91 H new ATOM 618 N GLY A 42 -11.399 -15.907 -1.896 1.00 2.18 N ATOM 619 CA GLY A 42 -12.638 -16.326 -1.280 1.00 2.55 C ATOM 620 C GLY A 42 -13.032 -15.417 -0.135 1.00 2.43 C ATOM 621 O GLY A 42 -14.138 -14.874 -0.118 1.00 2.95 O ATOM 0 H GLY A 42 -10.589 -16.483 -1.668 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -13.431 -16.334 -2.028 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -12.535 -17.348 -0.914 1.00 2.55 H new ATOM 625 N HIS A 43 -12.113 -15.233 0.807 1.00 2.38 N ATOM 626 CA HIS A 43 -12.373 -14.420 1.990 1.00 2.64 C ATOM 627 C HIS A 43 -11.120 -14.340 2.855 1.00 2.45 C ATOM 628 O HIS A 43 -10.829 -13.306 3.452 1.00 2.82 O ATOM 629 CB HIS A 43 -13.528 -15.025 2.807 1.00 3.41 C ATOM 630 CG HIS A 43 -14.202 -14.062 3.741 1.00 4.12 C ATOM 631 ND1 HIS A 43 -15.548 -14.128 4.036 1.00 4.78 N ATOM 632 CD2 HIS A 43 -13.719 -13.018 4.459 1.00 4.72 C ATOM 633 CE1 HIS A 43 -15.860 -13.172 4.887 1.00 5.56 C ATOM 634 NE2 HIS A 43 -14.769 -12.484 5.160 1.00 5.56 N ATOM 0 H HIS A 43 -11.177 -15.638 0.774 1.00 2.38 H new ATOM 0 HA HIS A 43 -12.652 -13.416 1.669 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -14.272 -15.425 2.119 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -13.145 -15.865 3.386 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -12.696 -12.671 4.476 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -16.843 -12.984 5.292 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -14.715 -11.684 5.791 1.00 5.56 H new ATOM 643 N GLY A 44 -10.378 -15.440 2.899 1.00 2.45 N ATOM 644 CA GLY A 44 -9.236 -15.551 3.788 1.00 2.61 C ATOM 645 C GLY A 44 -8.119 -14.573 3.482 1.00 2.52 C ATOM 646 O GLY A 44 -7.413 -14.137 4.388 1.00 3.24 O ATOM 0 H GLY A 44 -10.550 -16.267 2.327 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -9.571 -15.395 4.814 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -8.842 -16.566 3.732 1.00 2.61 H new ATOM 650 N HIS A 45 -7.943 -14.230 2.215 1.00 2.13 N ATOM 651 CA HIS A 45 -6.890 -13.298 1.828 1.00 2.41 C ATOM 652 C HIS A 45 -7.461 -11.914 1.558 1.00 1.96 C ATOM 653 O HIS A 45 -8.172 -11.709 0.573 1.00 1.99 O ATOM 654 CB HIS A 45 -6.125 -13.799 0.598 1.00 3.13 C ATOM 655 CG HIS A 45 -5.218 -14.956 0.882 1.00 3.69 C ATOM 656 ND1 HIS A 45 -5.371 -16.197 0.305 1.00 4.34 N ATOM 657 CD2 HIS A 45 -4.127 -15.049 1.679 1.00 4.18 C ATOM 658 CE1 HIS A 45 -4.418 -17.002 0.735 1.00 4.97 C ATOM 659 NE2 HIS A 45 -3.649 -16.329 1.569 1.00 4.90 N ATOM 0 H HIS A 45 -8.509 -14.578 1.442 1.00 2.13 H new ATOM 0 HA HIS A 45 -6.192 -13.232 2.662 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -6.841 -14.091 -0.170 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -5.535 -12.979 0.189 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -3.711 -14.261 2.288 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -4.289 -18.036 0.452 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -2.832 -16.701 2.053 1.00 4.90 H new ATOM 668 N PRO A 46 -7.166 -10.950 2.443 1.00 1.70 N ATOM 669 CA PRO A 46 -7.593 -9.565 2.273 1.00 1.42 C ATOM 670 C PRO A 46 -6.690 -8.809 1.300 1.00 1.09 C ATOM 671 O PRO A 46 -5.469 -8.996 1.296 1.00 1.09 O ATOM 672 CB PRO A 46 -7.468 -8.991 3.686 1.00 1.54 C ATOM 673 CG PRO A 46 -6.370 -9.776 4.322 1.00 1.86 C ATOM 674 CD PRO A 46 -6.392 -11.142 3.686 1.00 1.87 C ATOM 0 HA PRO A 46 -8.596 -9.483 1.854 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -7.230 -7.927 3.661 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -8.401 -9.096 4.239 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -5.406 -9.291 4.165 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -6.519 -9.848 5.399 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -5.384 -11.500 3.476 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.862 -11.878 4.338 1.00 1.87 H new ATOM 682 N THR A 47 -7.300 -7.968 0.474 1.00 0.89 N ATOM 683 CA THR A 47 -6.571 -7.170 -0.497 1.00 0.62 C ATOM 684 C THR A 47 -5.573 -6.237 0.188 1.00 0.51 C ATOM 685 O THR A 47 -5.883 -5.612 1.208 1.00 0.59 O ATOM 686 CB THR A 47 -7.543 -6.341 -1.360 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.500 -7.211 -1.975 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.803 -5.554 -2.437 1.00 0.55 C ATOM 0 H THR A 47 -8.309 -7.822 0.460 1.00 0.89 H new ATOM 0 HA THR A 47 -6.020 -7.859 -1.137 1.00 0.62 H new ATOM 0 HB THR A 47 -8.049 -5.629 -0.708 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.333 -7.251 -2.940 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.519 -4.981 -3.026 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.093 -4.873 -1.967 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.267 -6.244 -3.088 1.00 0.55 H new ATOM 696 N GLN A 48 -4.384 -6.144 -0.388 1.00 0.40 N ATOM 697 CA GLN A 48 -3.318 -5.316 0.155 1.00 0.36 C ATOM 698 C GLN A 48 -2.233 -5.139 -0.895 1.00 0.33 C ATOM 699 O GLN A 48 -2.148 -5.922 -1.841 1.00 0.40 O ATOM 700 CB GLN A 48 -2.738 -5.943 1.431 1.00 0.36 C ATOM 701 CG GLN A 48 -2.075 -7.296 1.218 1.00 0.39 C ATOM 702 CD GLN A 48 -1.603 -7.928 2.515 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.483 -7.685 2.964 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.444 -8.760 3.116 1.00 1.04 N ATOM 0 H GLN A 48 -4.131 -6.639 -1.243 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.725 -4.340 0.419 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -2.007 -5.257 1.859 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.538 -6.055 2.163 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.779 -7.968 0.727 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.225 -7.178 0.546 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.364 -8.935 2.712 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -2.170 -9.224 3.982 1.00 1.04 H new ATOM 713 N VAL A 49 -1.413 -4.115 -0.746 1.00 0.29 N ATOM 714 CA VAL A 49 -0.359 -3.865 -1.711 1.00 0.29 C ATOM 715 C VAL A 49 1.013 -4.052 -1.074 1.00 0.28 C ATOM 716 O VAL A 49 1.340 -3.431 -0.059 1.00 0.30 O ATOM 717 CB VAL A 49 -0.477 -2.459 -2.349 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.438 -1.367 -1.294 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.619 -2.245 -3.382 1.00 0.36 C ATOM 0 H VAL A 49 -1.455 -3.449 0.026 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.475 -4.596 -2.511 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.443 -2.402 -2.851 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.523 -0.393 -1.775 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.267 -1.502 -0.600 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.504 -1.421 -0.749 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.519 -1.251 -3.819 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.594 -2.334 -2.902 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.531 -2.997 -4.167 1.00 0.36 H new ATOM 729 N ARG A 50 1.789 -4.951 -1.653 1.00 0.31 N ATOM 730 CA ARG A 50 3.131 -5.222 -1.173 1.00 0.30 C ATOM 731 C ARG A 50 4.173 -4.607 -2.096 1.00 0.27 C ATOM 732 O ARG A 50 4.059 -4.679 -3.322 1.00 0.30 O ATOM 733 CB ARG A 50 3.358 -6.733 -1.025 1.00 0.34 C ATOM 734 CG ARG A 50 3.012 -7.536 -2.270 1.00 0.39 C ATOM 735 CD ARG A 50 3.175 -9.030 -2.036 1.00 0.52 C ATOM 736 NE ARG A 50 2.649 -9.820 -3.150 1.00 1.34 N ATOM 737 CZ ARG A 50 2.742 -11.147 -3.243 1.00 1.60 C ATOM 738 NH1 ARG A 50 3.363 -11.847 -2.302 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.216 -11.766 -4.289 1.00 2.62 N ATOM 0 H ARG A 50 1.510 -5.508 -2.461 1.00 0.31 H new ATOM 0 HA ARG A 50 3.239 -4.762 -0.191 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.403 -6.910 -0.770 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.760 -7.100 -0.191 1.00 0.34 H new ATOM 0 HG2 ARG A 50 1.985 -7.324 -2.567 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.653 -7.224 -3.095 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.231 -9.262 -1.894 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.660 -9.311 -1.117 1.00 0.52 H new ATOM 0 HE ARG A 50 2.180 -9.322 -3.906 1.00 1.34 H new ATOM 0 HH11 ARG A 50 3.774 -11.370 -1.499 1.00 1.15 H new ATOM 0 HH12 ARG A 50 3.429 -12.862 -2.381 1.00 1.15 H new ATOM 0 HH21 ARG A 50 1.744 -11.228 -5.016 1.00 2.62 H new ATOM 0 HH22 ARG A 50 2.283 -12.781 -4.368 1.00 2.62 H new ATOM 753 N ILE A 51 5.176 -3.986 -1.497 1.00 0.24 N ATOM 754 CA ILE A 51 6.266 -3.389 -2.248 1.00 0.23 C ATOM 755 C ILE A 51 7.526 -4.210 -2.046 1.00 0.24 C ATOM 756 O ILE A 51 7.992 -4.378 -0.917 1.00 0.27 O ATOM 757 CB ILE A 51 6.549 -1.937 -1.809 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.250 -1.135 -1.718 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.514 -1.275 -2.787 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.448 0.274 -1.202 1.00 0.42 C ATOM 0 H ILE A 51 5.257 -3.882 -0.486 1.00 0.24 H new ATOM 0 HA ILE A 51 5.971 -3.376 -3.297 1.00 0.23 H new ATOM 0 HB ILE A 51 7.006 -1.957 -0.820 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.789 -1.091 -2.705 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.553 -1.659 -1.064 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.708 -0.251 -2.469 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.451 -1.832 -2.807 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.074 -1.269 -3.784 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.486 0.786 -1.163 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.881 0.238 -0.202 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.120 0.815 -1.869 1.00 0.42 H new ATOM 772 N VAL A 52 8.060 -4.726 -3.135 1.00 0.24 N ATOM 773 CA VAL A 52 9.245 -5.559 -3.085 1.00 0.30 C ATOM 774 C VAL A 52 10.396 -4.876 -3.816 1.00 0.34 C ATOM 775 O VAL A 52 10.235 -4.390 -4.937 1.00 0.33 O ATOM 776 CB VAL A 52 8.979 -6.948 -3.712 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.195 -7.853 -3.580 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.758 -7.600 -3.076 1.00 0.38 C ATOM 0 H VAL A 52 7.688 -4.581 -4.074 1.00 0.24 H new ATOM 0 HA VAL A 52 9.512 -5.701 -2.038 1.00 0.30 H new ATOM 0 HB VAL A 52 8.781 -6.802 -4.774 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.978 -8.822 -4.030 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.044 -7.398 -4.090 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.435 -7.988 -2.525 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.588 -8.576 -3.531 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.927 -7.723 -2.006 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.884 -6.968 -3.235 1.00 0.38 H new ATOM 788 N ALA A 53 11.548 -4.831 -3.174 1.00 0.42 N ATOM 789 CA ALA A 53 12.717 -4.196 -3.758 1.00 0.53 C ATOM 790 C ALA A 53 13.800 -5.229 -4.033 1.00 0.73 C ATOM 791 O ALA A 53 14.326 -5.839 -3.100 1.00 0.93 O ATOM 792 CB ALA A 53 13.247 -3.108 -2.840 1.00 0.70 C ATOM 0 H ALA A 53 11.701 -5.227 -2.246 1.00 0.42 H new ATOM 0 HA ALA A 53 12.424 -3.739 -4.703 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.122 -2.644 -3.294 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.475 -2.354 -2.686 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.524 -3.545 -1.881 1.00 0.70 H new ATOM 798 N PRO A 54 14.143 -5.447 -5.316 1.00 0.85 N ATOM 799 CA PRO A 54 15.186 -6.402 -5.705 1.00 1.12 C ATOM 800 C PRO A 54 16.582 -5.918 -5.314 1.00 1.33 C ATOM 801 O PRO A 54 17.396 -5.554 -6.169 1.00 1.67 O ATOM 802 CB PRO A 54 15.067 -6.493 -7.236 1.00 1.38 C ATOM 803 CG PRO A 54 13.807 -5.774 -7.596 1.00 1.38 C ATOM 804 CD PRO A 54 13.542 -4.795 -6.489 1.00 0.90 C ATOM 0 HA PRO A 54 15.054 -7.361 -5.204 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.929 -6.036 -7.722 1.00 1.38 H new ATOM 0 HB3 PRO A 54 15.030 -7.532 -7.563 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.913 -5.260 -8.551 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.978 -6.474 -7.701 1.00 1.38 H new ATOM 0 HD2 PRO A 54 13.999 -3.826 -6.690 1.00 0.90 H new ATOM 0 HD3 PRO A 54 12.475 -4.622 -6.351 1.00 0.90 H new ATOM 812 N HIS A 55 16.848 -5.904 -4.019 1.00 1.70 N ATOM 813 CA HIS A 55 18.138 -5.481 -3.504 1.00 2.07 C ATOM 814 C HIS A 55 18.899 -6.680 -2.954 1.00 2.00 C ATOM 815 O HIS A 55 18.711 -7.070 -1.799 1.00 2.68 O ATOM 816 CB HIS A 55 17.970 -4.420 -2.408 1.00 3.16 C ATOM 817 CG HIS A 55 19.271 -3.914 -1.860 1.00 3.95 C ATOM 818 ND1 HIS A 55 19.985 -4.575 -0.881 1.00 4.65 N ATOM 819 CD2 HIS A 55 19.994 -2.812 -2.168 1.00 4.64 C ATOM 820 CE1 HIS A 55 21.087 -3.901 -0.614 1.00 5.54 C ATOM 821 NE2 HIS A 55 21.117 -2.829 -1.379 1.00 5.53 N ATOM 0 H HIS A 55 16.181 -6.183 -3.300 1.00 1.70 H new ATOM 0 HA HIS A 55 18.705 -5.040 -4.324 1.00 2.07 H new ATOM 0 HB2 HIS A 55 17.403 -3.580 -2.810 1.00 3.16 H new ATOM 0 HB3 HIS A 55 17.381 -4.841 -1.593 1.00 3.16 H new ATOM 0 HD1 HIS A 55 19.704 -5.448 -0.434 1.00 4.65 H new ATOM 0 HD2 HIS A 55 19.735 -2.060 -2.898 1.00 4.64 H new ATOM 0 HE1 HIS A 55 21.838 -4.181 0.110 1.00 5.54 H new ATOM 830 N ALA A 56 19.750 -7.257 -3.785 1.00 2.11 N ATOM 831 CA ALA A 56 20.571 -8.381 -3.376 1.00 2.93 C ATOM 832 C ALA A 56 21.615 -7.935 -2.359 1.00 3.03 C ATOM 833 O ALA A 56 22.049 -6.781 -2.363 1.00 3.40 O ATOM 834 CB ALA A 56 21.241 -9.011 -4.586 1.00 3.83 C ATOM 0 H ALA A 56 19.890 -6.963 -4.752 1.00 2.11 H new ATOM 0 HA ALA A 56 19.931 -9.128 -2.906 1.00 2.93 H new ATOM 0 HB1 ALA A 56 21.854 -9.853 -4.265 1.00 3.83 H new ATOM 0 HB2 ALA A 56 20.479 -9.361 -5.282 1.00 3.83 H new ATOM 0 HB3 ALA A 56 21.871 -8.271 -5.080 1.00 3.83 H new ATOM 840 N GLU A 57 22.003 -8.842 -1.484 1.00 3.26 N ATOM 841 CA GLU A 57 22.997 -8.542 -0.472 1.00 3.76 C ATOM 842 C GLU A 57 24.384 -8.812 -1.039 1.00 3.61 C ATOM 843 O GLU A 57 24.686 -9.933 -1.450 1.00 3.99 O ATOM 844 CB GLU A 57 22.738 -9.398 0.773 1.00 4.58 C ATOM 845 CG GLU A 57 23.336 -8.849 2.064 1.00 5.31 C ATOM 846 CD GLU A 57 24.849 -8.870 2.089 1.00 5.69 C ATOM 847 OE1 GLU A 57 25.426 -9.971 2.188 1.00 5.97 O ATOM 848 OE2 GLU A 57 25.464 -7.789 2.019 1.00 6.04 O ATOM 0 H GLU A 57 21.644 -9.796 -1.454 1.00 3.26 H new ATOM 0 HA GLU A 57 22.934 -7.492 -0.185 1.00 3.76 H new ATOM 0 HB2 GLU A 57 21.661 -9.505 0.905 1.00 4.58 H new ATOM 0 HB3 GLU A 57 23.139 -10.397 0.600 1.00 4.58 H new ATOM 0 HG2 GLU A 57 22.993 -7.824 2.206 1.00 5.31 H new ATOM 0 HG3 GLU A 57 22.959 -9.431 2.905 1.00 5.31 H new ATOM 855 N HIS A 58 25.215 -7.782 -1.073 1.00 3.56 N ATOM 856 CA HIS A 58 26.559 -7.909 -1.619 1.00 3.76 C ATOM 857 C HIS A 58 27.536 -7.008 -0.865 1.00 3.57 C ATOM 858 O HIS A 58 28.056 -6.032 -1.412 1.00 4.09 O ATOM 859 CB HIS A 58 26.578 -7.613 -3.134 1.00 4.54 C ATOM 860 CG HIS A 58 25.990 -6.288 -3.537 1.00 5.13 C ATOM 861 ND1 HIS A 58 26.757 -5.198 -3.889 1.00 5.69 N ATOM 862 CD2 HIS A 58 24.701 -5.895 -3.670 1.00 5.69 C ATOM 863 CE1 HIS A 58 25.965 -4.194 -4.219 1.00 6.45 C ATOM 864 NE2 HIS A 58 24.713 -4.592 -4.095 1.00 6.46 N ATOM 0 H HIS A 58 24.984 -6.850 -0.730 1.00 3.56 H new ATOM 0 HA HIS A 58 26.881 -8.942 -1.485 1.00 3.76 H new ATOM 0 HB2 HIS A 58 27.610 -7.655 -3.483 1.00 4.54 H new ATOM 0 HB3 HIS A 58 26.034 -8.405 -3.649 1.00 4.54 H new ATOM 0 HD2 HIS A 58 23.825 -6.497 -3.477 1.00 5.69 H new ATOM 0 HE1 HIS A 58 26.287 -3.213 -4.537 1.00 6.45 H new ATOM 0 HE2 HIS A 58 23.888 -4.023 -4.285 1.00 6.46 H new ATOM 873 N VAL A 59 27.745 -7.336 0.412 1.00 3.30 N ATOM 874 CA VAL A 59 28.726 -6.662 1.267 1.00 3.48 C ATOM 875 C VAL A 59 28.249 -5.276 1.712 1.00 2.89 C ATOM 876 O VAL A 59 28.128 -5.009 2.910 1.00 3.24 O ATOM 877 CB VAL A 59 30.113 -6.553 0.587 1.00 4.38 C ATOM 878 CG1 VAL A 59 31.076 -5.738 1.439 1.00 5.11 C ATOM 879 CG2 VAL A 59 30.681 -7.939 0.326 1.00 5.10 C ATOM 0 H VAL A 59 27.235 -8.082 0.885 1.00 3.30 H new ATOM 0 HA VAL A 59 28.829 -7.287 2.154 1.00 3.48 H new ATOM 0 HB VAL A 59 29.986 -6.039 -0.366 1.00 4.38 H new ATOM 0 HG11 VAL A 59 32.042 -5.677 0.938 1.00 5.11 H new ATOM 0 HG12 VAL A 59 30.676 -4.734 1.580 1.00 5.11 H new ATOM 0 HG13 VAL A 59 31.200 -6.219 2.409 1.00 5.11 H new ATOM 0 HG21 VAL A 59 31.656 -7.848 -0.152 1.00 5.10 H new ATOM 0 HG22 VAL A 59 30.788 -8.472 1.271 1.00 5.10 H new ATOM 0 HG23 VAL A 59 30.006 -8.492 -0.328 1.00 5.10 H new ATOM 889 N ARG A 60 27.962 -4.410 0.755 1.00 2.60 N ATOM 890 CA ARG A 60 27.595 -3.032 1.054 1.00 2.50 C ATOM 891 C ARG A 60 26.083 -2.905 1.196 1.00 2.31 C ATOM 892 O ARG A 60 25.330 -3.515 0.434 1.00 2.94 O ATOM 893 CB ARG A 60 28.110 -2.089 -0.047 1.00 3.03 C ATOM 894 CG ARG A 60 29.626 -2.116 -0.215 1.00 3.53 C ATOM 895 CD ARG A 60 30.107 -1.124 -1.270 1.00 4.11 C ATOM 896 NE ARG A 60 31.567 -1.121 -1.390 1.00 4.48 N ATOM 897 CZ ARG A 60 32.239 -0.514 -2.371 1.00 5.30 C ATOM 898 NH1 ARG A 60 31.586 0.124 -3.334 1.00 5.79 N ATOM 899 NH2 ARG A 60 33.566 -0.543 -2.389 1.00 5.97 N ATOM 0 H ARG A 60 27.976 -4.636 -0.240 1.00 2.60 H new ATOM 0 HA ARG A 60 28.058 -2.747 1.999 1.00 2.50 H new ATOM 0 HB2 ARG A 60 27.643 -2.360 -0.994 1.00 3.03 H new ATOM 0 HB3 ARG A 60 27.796 -1.071 0.183 1.00 3.03 H new ATOM 0 HG2 ARG A 60 30.100 -1.887 0.740 1.00 3.53 H new ATOM 0 HG3 ARG A 60 29.941 -3.122 -0.494 1.00 3.53 H new ATOM 0 HD2 ARG A 60 29.664 -1.375 -2.234 1.00 4.11 H new ATOM 0 HD3 ARG A 60 29.762 -0.123 -1.012 1.00 4.11 H new ATOM 0 HE ARG A 60 32.105 -1.615 -0.678 1.00 4.48 H new ATOM 0 HH11 ARG A 60 30.566 0.152 -3.327 1.00 5.79 H new ATOM 0 HH12 ARG A 60 32.104 0.586 -4.081 1.00 5.79 H new ATOM 0 HH21 ARG A 60 34.076 -1.030 -1.652 1.00 5.97 H new ATOM 0 HH22 ARG A 60 34.076 -0.078 -3.140 1.00 5.97 H new ATOM 913 N GLY A 61 25.646 -2.122 2.173 1.00 1.94 N ATOM 914 CA GLY A 61 24.226 -1.932 2.402 1.00 1.93 C ATOM 915 C GLY A 61 23.709 -2.826 3.511 1.00 1.61 C ATOM 916 O GLY A 61 24.488 -3.518 4.172 1.00 1.76 O ATOM 0 H GLY A 61 26.253 -1.612 2.815 1.00 1.94 H new ATOM 0 HA2 GLY A 61 24.036 -0.890 2.657 1.00 1.93 H new ATOM 0 HA3 GLY A 61 23.679 -2.140 1.483 1.00 1.93 H new ATOM 920 N TYR A 62 22.399 -2.813 3.719 1.00 1.30 N ATOM 921 CA TYR A 62 21.781 -3.667 4.727 1.00 1.07 C ATOM 922 C TYR A 62 21.346 -4.983 4.097 1.00 0.90 C ATOM 923 O TYR A 62 20.939 -5.019 2.932 1.00 0.91 O ATOM 924 CB TYR A 62 20.563 -2.982 5.370 1.00 1.04 C ATOM 925 CG TYR A 62 20.871 -1.667 6.060 1.00 1.31 C ATOM 926 CD1 TYR A 62 21.610 -1.628 7.238 1.00 1.54 C ATOM 927 CD2 TYR A 62 20.417 -0.464 5.534 1.00 1.51 C ATOM 928 CE1 TYR A 62 21.887 -0.427 7.867 1.00 1.83 C ATOM 929 CE2 TYR A 62 20.690 0.738 6.159 1.00 1.79 C ATOM 930 CZ TYR A 62 21.424 0.751 7.323 1.00 1.91 C ATOM 931 OH TYR A 62 21.695 1.947 7.947 1.00 2.22 O ATOM 0 H TYR A 62 21.745 -2.223 3.205 1.00 1.30 H new ATOM 0 HA TYR A 62 22.521 -3.855 5.505 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.812 -2.806 4.599 1.00 1.04 H new ATOM 0 HB3 TYR A 62 20.120 -3.664 6.096 1.00 1.04 H new ATOM 0 HD1 TYR A 62 21.973 -2.550 7.668 1.00 1.54 H new ATOM 0 HD2 TYR A 62 19.841 -0.468 4.621 1.00 1.51 H new ATOM 0 HE1 TYR A 62 22.463 -0.413 8.780 1.00 1.83 H new ATOM 0 HE2 TYR A 62 20.329 1.664 5.736 1.00 1.79 H new ATOM 0 HH TYR A 62 21.298 2.681 7.434 1.00 2.22 H new ATOM 941 N ALA A 63 21.412 -6.058 4.870 1.00 0.92 N ATOM 942 CA ALA A 63 21.042 -7.382 4.386 1.00 0.91 C ATOM 943 C ALA A 63 19.541 -7.612 4.511 1.00 0.78 C ATOM 944 O ALA A 63 19.090 -8.721 4.794 1.00 0.94 O ATOM 945 CB ALA A 63 21.803 -8.451 5.151 1.00 1.16 C ATOM 0 H ALA A 63 21.721 -6.039 5.842 1.00 0.92 H new ATOM 0 HA ALA A 63 21.307 -7.444 3.330 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.518 -9.436 4.781 1.00 1.16 H new ATOM 0 HB2 ALA A 63 22.874 -8.306 5.010 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.564 -8.379 6.212 1.00 1.16 H new ATOM 951 N HIS A 64 18.771 -6.556 4.310 1.00 0.60 N ATOM 952 CA HIS A 64 17.322 -6.638 4.401 1.00 0.51 C ATOM 953 C HIS A 64 16.680 -5.871 3.253 1.00 0.47 C ATOM 954 O HIS A 64 16.607 -4.640 3.284 1.00 0.48 O ATOM 955 CB HIS A 64 16.820 -6.076 5.738 1.00 0.54 C ATOM 956 CG HIS A 64 17.272 -6.848 6.941 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.554 -7.892 7.482 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.378 -6.718 7.714 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.194 -8.367 8.533 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.304 -7.673 8.696 1.00 1.10 N ATOM 0 H HIS A 64 19.127 -5.628 4.082 1.00 0.60 H new ATOM 0 HA HIS A 64 17.041 -7.689 4.339 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.158 -5.044 5.835 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.730 -6.054 5.723 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.170 -5.996 7.581 1.00 1.01 H new ATOM 0 HE1 HIS A 64 16.865 -9.186 9.155 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.994 -7.822 9.432 1.00 1.10 H new ATOM 969 N PRO A 65 16.240 -6.584 2.207 1.00 0.58 N ATOM 970 CA PRO A 65 15.533 -5.970 1.084 1.00 0.64 C ATOM 971 C PRO A 65 14.126 -5.543 1.489 1.00 0.53 C ATOM 972 O PRO A 65 13.496 -6.174 2.342 1.00 0.54 O ATOM 973 CB PRO A 65 15.490 -7.086 0.036 1.00 0.84 C ATOM 974 CG PRO A 65 15.559 -8.349 0.822 1.00 1.08 C ATOM 975 CD PRO A 65 16.393 -8.042 2.036 1.00 0.77 C ATOM 0 HA PRO A 65 16.020 -5.065 0.720 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.576 -7.038 -0.556 1.00 0.84 H new ATOM 0 HB3 PRO A 65 16.325 -7.007 -0.660 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.562 -8.684 1.109 1.00 1.08 H new ATOM 0 HG3 PRO A 65 16.007 -9.150 0.234 1.00 1.08 H new ATOM 0 HD2 PRO A 65 16.041 -8.587 2.912 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.436 -8.320 1.886 1.00 0.77 H new ATOM 983 N LEU A 66 13.650 -4.464 0.887 1.00 0.50 N ATOM 984 CA LEU A 66 12.349 -3.904 1.227 1.00 0.44 C ATOM 985 C LEU A 66 11.222 -4.883 0.909 1.00 0.35 C ATOM 986 O LEU A 66 11.114 -5.386 -0.211 1.00 0.37 O ATOM 987 CB LEU A 66 12.129 -2.591 0.474 1.00 0.52 C ATOM 988 CG LEU A 66 10.753 -1.945 0.662 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.581 -1.428 2.083 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.556 -0.826 -0.347 1.00 1.05 C ATOM 0 H LEU A 66 14.148 -3.955 0.156 1.00 0.50 H new ATOM 0 HA LEU A 66 12.336 -3.712 2.300 1.00 0.44 H new ATOM 0 HB2 LEU A 66 12.891 -1.879 0.790 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.284 -2.772 -0.590 1.00 0.52 H new ATOM 0 HG LEU A 66 9.991 -2.705 0.491 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.595 -0.974 2.188 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.676 -2.256 2.785 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.348 -0.683 2.294 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.574 -0.375 -0.203 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.327 -0.069 -0.206 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.625 -1.230 -1.357 1.00 1.05 H new ATOM 1002 N ASN A 67 10.405 -5.156 1.916 1.00 0.32 N ATOM 1003 CA ASN A 67 9.213 -5.977 1.751 1.00 0.31 C ATOM 1004 C ASN A 67 8.096 -5.401 2.611 1.00 0.30 C ATOM 1005 O ASN A 67 7.928 -5.782 3.776 1.00 0.40 O ATOM 1006 CB ASN A 67 9.488 -7.434 2.143 1.00 0.42 C ATOM 1007 CG ASN A 67 8.339 -8.362 1.779 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.310 -8.935 0.691 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.382 -8.511 2.682 1.00 0.54 N ATOM 0 H ASN A 67 10.548 -4.816 2.867 1.00 0.32 H new ATOM 0 HA ASN A 67 8.916 -5.968 0.702 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.397 -7.775 1.647 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.670 -7.490 3.216 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.586 -9.118 2.486 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.441 -8.019 3.574 1.00 0.54 H new ATOM 1016 N LEU A 68 7.352 -4.467 2.039 1.00 0.26 N ATOM 1017 CA LEU A 68 6.322 -3.744 2.773 1.00 0.24 C ATOM 1018 C LEU A 68 4.932 -4.253 2.423 1.00 0.23 C ATOM 1019 O LEU A 68 4.588 -4.382 1.251 1.00 0.25 O ATOM 1020 CB LEU A 68 6.416 -2.244 2.464 1.00 0.26 C ATOM 1021 CG LEU A 68 5.301 -1.378 3.056 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.375 -1.359 4.570 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.374 0.034 2.501 1.00 0.32 C ATOM 0 H LEU A 68 7.443 -4.190 1.062 1.00 0.26 H new ATOM 0 HA LEU A 68 6.488 -3.911 3.837 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.373 -1.874 2.832 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.418 -2.113 1.382 1.00 0.26 H new ATOM 0 HG LEU A 68 4.344 -1.815 2.770 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.572 -0.737 4.966 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.269 -2.374 4.952 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.337 -0.952 4.882 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.574 0.636 2.932 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.338 0.475 2.755 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.262 0.005 1.417 1.00 0.32 H new ATOM 1035 N ALA A 69 4.144 -4.544 3.445 1.00 0.24 N ATOM 1036 CA ALA A 69 2.758 -4.943 3.251 1.00 0.25 C ATOM 1037 C ALA A 69 1.809 -3.918 3.861 1.00 0.24 C ATOM 1038 O ALA A 69 1.692 -3.812 5.082 1.00 0.28 O ATOM 1039 CB ALA A 69 2.513 -6.316 3.849 1.00 0.30 C ATOM 0 H ALA A 69 4.441 -4.511 4.420 1.00 0.24 H new ATOM 0 HA ALA A 69 2.564 -4.991 2.180 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.472 -6.599 3.695 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.163 -7.045 3.365 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.728 -6.291 4.917 1.00 0.30 H new ATOM 1045 N LEU A 70 1.146 -3.159 3.004 1.00 0.22 N ATOM 1046 CA LEU A 70 0.214 -2.128 3.447 1.00 0.22 C ATOM 1047 C LEU A 70 -1.198 -2.689 3.557 1.00 0.23 C ATOM 1048 O LEU A 70 -1.730 -3.231 2.588 1.00 0.28 O ATOM 1049 CB LEU A 70 0.221 -0.952 2.462 1.00 0.23 C ATOM 1050 CG LEU A 70 1.532 -0.168 2.366 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.490 0.789 1.190 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.795 0.597 3.651 1.00 0.25 C ATOM 0 H LEU A 70 1.235 -3.236 1.991 1.00 0.22 H new ATOM 0 HA LEU A 70 0.533 -1.781 4.430 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.026 -1.332 1.471 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.573 -0.261 2.745 1.00 0.23 H new ATOM 0 HG LEU A 70 2.344 -0.879 2.213 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.429 1.339 1.135 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.345 0.226 0.268 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.666 1.490 1.321 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.732 1.147 3.562 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.979 1.297 3.832 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.864 -0.103 4.484 1.00 0.25 H new ATOM 1064 N THR A 71 -1.803 -2.556 4.733 1.00 0.21 N ATOM 1065 CA THR A 71 -3.177 -2.991 4.941 1.00 0.23 C ATOM 1066 C THR A 71 -3.990 -1.859 5.570 1.00 0.22 C ATOM 1067 O THR A 71 -3.446 -1.047 6.321 1.00 0.21 O ATOM 1068 CB THR A 71 -3.242 -4.243 5.847 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.483 -4.028 7.046 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.707 -5.473 5.127 1.00 0.52 C ATOM 0 H THR A 71 -1.361 -2.149 5.557 1.00 0.21 H new ATOM 0 HA THR A 71 -3.597 -3.252 3.970 1.00 0.23 H new ATOM 0 HB THR A 71 -4.288 -4.415 6.100 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.799 -3.346 6.882 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.766 -6.337 5.789 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.303 -5.660 4.234 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.669 -5.305 4.842 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.283 -1.815 5.280 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.128 -0.720 5.743 1.00 0.27 C ATOM 1080 C TRP A 72 -7.324 -1.234 6.533 1.00 0.28 C ATOM 1081 O TRP A 72 -7.759 -2.373 6.360 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.597 0.130 4.555 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.502 0.961 3.953 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -5.142 2.225 4.322 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.627 0.593 2.879 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -4.092 2.660 3.553 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.759 1.679 2.659 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.489 -0.550 2.085 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.771 1.656 1.681 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.507 -0.569 1.114 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.659 0.528 0.921 1.00 0.31 C ATOM 0 H TRP A 72 -5.770 -2.522 4.728 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.532 -0.098 6.410 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -7.010 -0.526 3.788 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.404 0.786 4.882 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.615 2.799 5.105 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.634 3.568 3.635 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.138 -1.401 2.228 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.116 2.501 1.528 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.391 -1.445 0.493 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.900 0.481 0.154 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.830 -0.379 7.418 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.968 -0.706 8.273 1.00 0.35 C ATOM 1104 C ASN A 73 -10.213 -0.982 7.442 1.00 0.31 C ATOM 1105 O ASN A 73 -10.626 -0.157 6.628 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.234 0.438 9.256 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.201 0.490 10.367 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.702 -0.545 10.808 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.855 1.688 10.814 1.00 0.94 N ATOM 0 H ASN A 73 -7.462 0.561 7.563 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.725 -1.609 8.833 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.234 1.385 8.717 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.227 0.319 9.690 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.153 1.775 11.549 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.291 2.523 10.424 1.00 0.94 H new ATOM 1116 N THR A 74 -10.804 -2.151 7.672 1.00 0.36 N ATOM 1117 CA THR A 74 -11.937 -2.631 6.890 1.00 0.38 C ATOM 1118 C THR A 74 -13.140 -1.692 6.981 1.00 0.37 C ATOM 1119 O THR A 74 -13.898 -1.556 6.021 1.00 0.38 O ATOM 1120 CB THR A 74 -12.349 -4.037 7.360 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.185 -4.865 7.462 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.339 -4.674 6.393 1.00 0.71 C ATOM 0 H THR A 74 -10.509 -2.793 8.408 1.00 0.36 H new ATOM 0 HA THR A 74 -11.616 -2.665 5.849 1.00 0.38 H new ATOM 0 HB THR A 74 -12.831 -3.945 8.333 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.446 -5.760 7.763 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.611 -5.666 6.752 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.233 -4.054 6.327 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.882 -4.758 5.407 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.311 -1.045 8.127 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.389 -0.077 8.298 1.00 0.45 C ATOM 1132 C ASP A 75 -14.174 1.110 7.371 1.00 0.40 C ATOM 1133 O ASP A 75 -15.105 1.586 6.720 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.466 0.405 9.749 1.00 0.55 C ATOM 1135 CG ASP A 75 -15.416 1.577 9.917 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -16.643 1.350 9.967 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -14.944 2.729 10.004 1.00 1.98 O ATOM 0 H ASP A 75 -12.720 -1.171 8.949 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.330 -0.566 8.047 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -14.791 -0.418 10.386 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -13.471 0.695 10.086 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.940 1.593 7.339 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.559 2.671 6.442 1.00 0.44 C ATOM 1144 C GLU A 76 -12.773 2.262 4.984 1.00 0.38 C ATOM 1145 O GLU A 76 -13.231 3.062 4.168 1.00 0.41 O ATOM 1146 CB GLU A 76 -11.101 3.067 6.678 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.795 4.500 6.285 1.00 0.85 C ATOM 1148 CD GLU A 76 -11.583 5.503 7.101 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -12.805 5.632 6.881 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -10.983 6.188 7.955 1.00 1.25 O ATOM 0 H GLU A 76 -12.182 1.251 7.929 1.00 0.39 H new ATOM 0 HA GLU A 76 -13.193 3.533 6.651 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.860 2.928 7.732 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.454 2.397 6.112 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -9.729 4.689 6.413 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -11.019 4.640 5.228 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.442 1.010 4.665 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.684 0.467 3.328 1.00 0.34 C ATOM 1159 C ILE A 77 -14.174 0.536 2.990 1.00 0.34 C ATOM 1160 O ILE A 77 -14.557 0.965 1.902 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.202 -1.001 3.207 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.706 -1.117 3.534 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.479 -1.546 1.807 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.165 -2.533 3.425 1.00 0.40 C ATOM 0 H ILE A 77 -12.006 0.354 5.313 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.114 1.075 2.625 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.759 -1.596 3.930 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.145 -0.470 2.860 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.535 -0.749 4.546 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.133 -2.578 1.743 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.550 -1.509 1.608 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.952 -0.940 1.070 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.103 -2.537 3.670 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.700 -3.181 4.119 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.304 -2.898 2.407 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.002 0.129 3.943 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.450 0.170 3.784 1.00 0.37 C ATOM 1178 C GLU A 78 -16.921 1.608 3.570 1.00 0.38 C ATOM 1179 O GLU A 78 -17.802 1.875 2.751 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.117 -0.431 5.025 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.634 -0.483 4.953 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.248 -1.059 6.211 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.296 -2.302 6.339 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.697 -0.272 7.074 1.00 2.15 O ATOM 0 H GLU A 78 -14.692 -0.237 4.843 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.731 -0.415 2.908 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.737 -1.441 5.175 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.826 0.152 5.899 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.023 0.522 4.789 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.935 -1.085 4.096 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.317 2.527 4.309 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.654 3.941 4.222 1.00 0.45 C ATOM 1193 C ARG A 79 -16.368 4.506 2.831 1.00 0.42 C ATOM 1194 O ARG A 79 -17.001 5.475 2.407 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.897 4.737 5.289 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.447 6.141 5.525 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.861 6.116 6.102 1.00 1.60 C ATOM 1198 NE ARG A 79 -18.867 5.701 5.118 1.00 2.14 N ATOM 1199 CZ ARG A 79 -19.745 4.713 5.315 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -19.741 4.027 6.451 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -20.633 4.410 4.373 1.00 3.96 N ATOM 0 H ARG A 79 -15.582 2.315 4.984 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.725 4.037 4.402 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.926 4.184 6.228 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.850 4.813 4.996 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.787 6.678 6.207 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.450 6.691 4.584 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -17.890 5.436 6.953 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -18.113 7.108 6.477 1.00 1.60 H new ATOM 0 HE ARG A 79 -18.898 6.198 4.228 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -19.065 4.253 7.181 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -20.414 3.274 6.595 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -20.645 4.932 3.497 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -21.302 3.655 4.526 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.410 3.910 2.125 1.00 0.40 N ATOM 1216 CA LEU A 80 -15.049 4.367 0.782 1.00 0.44 C ATOM 1217 C LEU A 80 -16.189 4.146 -0.216 1.00 0.47 C ATOM 1218 O LEU A 80 -16.110 4.583 -1.364 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.781 3.664 0.285 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.501 3.980 1.067 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.324 3.220 0.478 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -12.214 5.479 1.068 1.00 0.55 C ATOM 0 H LEU A 80 -14.870 3.111 2.458 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.857 5.438 0.851 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.948 2.587 0.315 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.623 3.933 -0.760 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.648 3.662 2.099 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.421 3.453 1.042 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.519 2.149 0.532 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -11.187 3.512 -0.563 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.301 5.674 1.630 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -12.090 5.826 0.042 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -13.046 6.008 1.533 1.00 0.55 H new ATOM 1234 N MET A 81 -17.239 3.454 0.217 1.00 0.49 N ATOM 1235 CA MET A 81 -18.445 3.289 -0.596 1.00 0.57 C ATOM 1236 C MET A 81 -19.174 4.615 -0.799 1.00 0.53 C ATOM 1237 O MET A 81 -20.086 4.708 -1.618 1.00 0.61 O ATOM 1238 CB MET A 81 -19.396 2.272 0.042 1.00 0.67 C ATOM 1239 CG MET A 81 -18.939 0.828 -0.107 1.00 0.79 C ATOM 1240 SD MET A 81 -18.840 0.311 -1.832 1.00 1.85 S ATOM 1241 CE MET A 81 -20.542 0.541 -2.347 1.00 2.59 C ATOM 0 H MET A 81 -17.281 2.997 1.128 1.00 0.49 H new ATOM 0 HA MET A 81 -18.126 2.920 -1.571 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.502 2.502 1.102 1.00 0.67 H new ATOM 0 HB3 MET A 81 -20.383 2.379 -0.408 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.962 0.709 0.361 1.00 0.79 H new ATOM 0 HG3 MET A 81 -19.630 0.175 0.426 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.851 -0.300 -2.968 1.00 2.59 H new ATOM 0 HE2 MET A 81 -21.184 0.598 -1.468 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.627 1.465 -2.919 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.782 5.633 -0.046 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.369 6.958 -0.194 1.00 0.48 C ATOM 1253 C GLU A 82 -18.703 7.701 -1.349 1.00 0.43 C ATOM 1254 O GLU A 82 -17.556 7.408 -1.701 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.199 7.771 1.096 1.00 0.56 C ATOM 1256 CG GLU A 82 -19.844 7.143 2.317 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.318 6.871 2.131 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.087 7.846 2.012 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -21.712 5.688 2.085 1.00 2.34 O ATOM 0 H GLU A 82 -18.061 5.568 0.673 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.432 6.838 -0.402 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.135 7.905 1.290 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.623 8.764 0.945 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.334 6.208 2.550 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -19.707 7.803 3.174 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.413 8.659 -1.939 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.818 9.532 -2.946 1.00 0.61 C ATOM 1268 C ALA A 83 -17.734 10.386 -2.302 1.00 0.55 C ATOM 1269 O ALA A 83 -16.747 10.757 -2.940 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.876 10.410 -3.594 1.00 0.79 C ATOM 0 H ALA A 83 -20.395 8.850 -1.739 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.372 8.917 -3.727 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.409 11.052 -4.341 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.626 9.782 -4.074 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.353 11.027 -2.833 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.928 10.672 -1.016 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.934 11.375 -0.208 1.00 0.61 C ATOM 1278 C ASP A 84 -15.657 10.550 -0.119 1.00 0.49 C ATOM 1279 O ASP A 84 -14.578 11.073 0.165 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.466 11.623 1.211 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.775 12.385 1.235 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.838 11.764 1.011 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -18.747 13.612 1.463 1.00 1.47 O ATOM 0 H ASP A 84 -18.776 10.424 -0.506 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.725 12.332 -0.685 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.602 10.665 1.713 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.720 12.178 1.780 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.792 9.256 -0.381 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.674 8.350 -0.280 1.00 0.41 C ATOM 1290 C GLY A 85 -13.721 8.502 -1.436 1.00 0.38 C ATOM 1291 O GLY A 85 -12.514 8.584 -1.237 1.00 0.39 O ATOM 0 H GLY A 85 -16.668 8.818 -0.665 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.143 8.532 0.654 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.040 7.324 -0.244 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.261 8.532 -2.650 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.456 8.776 -3.841 1.00 0.46 C ATOM 1297 C ALA A 86 -12.684 10.085 -3.721 1.00 0.45 C ATOM 1298 O ALA A 86 -11.497 10.151 -4.040 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.342 8.794 -5.076 1.00 0.57 C ATOM 0 H ALA A 86 -15.254 8.390 -2.835 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.732 7.966 -3.937 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.731 8.977 -5.960 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.846 7.833 -5.176 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.085 9.585 -4.979 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.360 11.121 -3.238 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.724 12.413 -3.027 1.00 0.53 C ATOM 1307 C ALA A 87 -11.589 12.305 -2.012 1.00 0.48 C ATOM 1308 O ALA A 87 -10.534 12.924 -2.172 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.749 13.440 -2.570 1.00 0.63 C ATOM 0 H ALA A 87 -14.348 11.090 -2.986 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.299 12.741 -3.976 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.258 14.401 -2.416 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.523 13.545 -3.331 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.202 13.111 -1.635 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.804 11.502 -0.977 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.802 11.315 0.064 1.00 0.48 C ATOM 1317 C ARG A 88 -9.641 10.467 -0.447 1.00 0.40 C ATOM 1318 O ARG A 88 -8.492 10.673 -0.064 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.424 10.671 1.306 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.439 10.486 2.449 1.00 0.96 C ATOM 1321 CD ARG A 88 -11.147 10.223 3.768 1.00 1.41 C ATOM 1322 NE ARG A 88 -11.980 9.019 3.737 1.00 1.91 N ATOM 1323 CZ ARG A 88 -12.168 8.225 4.792 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -11.568 8.495 5.943 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -12.961 7.166 4.700 1.00 3.71 N ATOM 0 H ARG A 88 -12.663 10.970 -0.837 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.416 12.297 0.340 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.255 11.288 1.649 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.839 9.701 1.034 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -9.772 9.654 2.223 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.818 11.377 2.541 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -10.405 10.125 4.560 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -11.769 11.083 4.019 1.00 1.41 H new ATOM 0 HE ARG A 88 -12.442 8.774 2.861 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -10.961 9.311 6.023 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -11.713 7.887 6.749 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -13.431 6.955 3.819 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -13.101 6.562 5.510 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.947 9.521 -1.325 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.934 8.629 -1.876 1.00 0.34 C ATOM 1341 C PHE A 89 -7.949 9.411 -2.738 1.00 0.33 C ATOM 1342 O PHE A 89 -6.747 9.151 -2.711 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.586 7.506 -2.689 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.615 6.454 -3.152 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.020 5.587 -2.248 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.295 6.336 -4.496 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.129 4.624 -2.677 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.405 5.376 -4.928 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.824 4.507 -3.999 1.00 0.58 C ATOM 0 H PHE A 89 -10.891 9.351 -1.672 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.387 8.177 -1.048 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.360 7.033 -2.084 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.081 7.939 -3.558 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.256 5.666 -1.197 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.749 7.004 -5.213 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.671 3.959 -1.960 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.158 5.296 -5.976 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.134 3.744 -4.330 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.459 10.389 -3.479 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.605 11.246 -4.291 1.00 0.39 C ATOM 1361 C GLU A 90 -6.717 12.094 -3.388 1.00 0.38 C ATOM 1362 O GLU A 90 -5.535 12.306 -3.669 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.449 12.149 -5.196 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.252 11.387 -6.237 1.00 0.70 C ATOM 1365 CD GLU A 90 -8.385 10.490 -7.093 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -7.654 11.015 -7.963 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.425 9.260 -6.901 1.00 2.10 O ATOM 0 H GLU A 90 -9.454 10.607 -3.534 1.00 0.35 H new ATOM 0 HA GLU A 90 -6.979 10.616 -4.923 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.132 12.732 -4.578 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -7.793 12.857 -5.702 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.010 10.785 -5.737 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -9.778 12.096 -6.876 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.303 12.552 -2.292 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.587 13.311 -1.277 1.00 0.44 C ATOM 1376 C ARG A 91 -5.503 12.448 -0.625 1.00 0.37 C ATOM 1377 O ARG A 91 -4.435 12.938 -0.259 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.592 13.809 -0.231 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.973 14.414 1.015 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.199 15.685 0.720 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.638 16.245 1.944 1.00 2.11 N ATOM 1382 CZ ARG A 91 -4.949 17.377 2.011 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -4.734 18.095 0.918 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.480 17.790 3.182 1.00 4.06 N ATOM 0 H ARG A 91 -8.290 12.408 -2.081 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.093 14.166 -1.739 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.238 14.554 -0.696 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.228 12.975 0.066 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.759 14.631 1.739 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.307 13.685 1.476 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.398 15.473 0.012 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.856 16.415 0.248 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.786 15.729 2.811 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.099 17.778 0.020 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -4.204 18.964 0.975 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.650 17.238 4.023 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -3.949 18.659 3.241 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.779 11.153 -0.513 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.842 10.214 0.089 1.00 0.32 C ATOM 1400 C TYR A 92 -3.662 9.967 -0.843 1.00 0.30 C ATOM 1401 O TYR A 92 -2.515 9.889 -0.402 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.553 8.893 0.406 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.669 7.849 1.055 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -4.336 7.932 2.403 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -4.175 6.776 0.323 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.539 6.975 2.999 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.375 5.815 0.914 1.00 0.48 C ATOM 1408 CZ TYR A 92 -3.060 5.921 2.253 1.00 0.55 C ATOM 1409 OH TYR A 92 -2.268 4.966 2.849 1.00 0.64 O ATOM 0 H TYR A 92 -6.649 10.729 -0.834 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.465 10.644 1.017 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.397 9.097 1.064 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.961 8.483 -0.518 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.707 8.758 2.992 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.420 6.691 -0.725 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -3.292 7.053 4.047 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.999 4.987 0.331 1.00 0.48 H new ATOM 0 HH TYR A 92 -2.338 5.045 3.823 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.950 9.859 -2.137 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.914 9.627 -3.136 1.00 0.34 C ATOM 1421 C LEU A 93 -1.956 10.811 -3.195 1.00 0.35 C ATOM 1422 O LEU A 93 -0.759 10.648 -3.433 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.532 9.386 -4.519 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.447 8.160 -4.633 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -4.984 8.031 -6.049 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.711 6.890 -4.224 1.00 0.44 C ATOM 0 H LEU A 93 -4.894 9.929 -2.518 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.359 8.736 -2.844 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.103 10.271 -4.801 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.725 9.283 -5.245 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.287 8.298 -3.952 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.632 7.157 -6.114 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.554 8.924 -6.305 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.152 7.919 -6.745 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.382 6.036 -4.314 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -2.848 6.744 -4.874 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.375 6.981 -3.191 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.492 12.003 -2.979 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.684 13.212 -2.964 1.00 0.39 C ATOM 1440 C ALA A 94 -0.752 13.245 -1.755 1.00 0.37 C ATOM 1441 O ALA A 94 0.305 13.875 -1.794 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.580 14.441 -2.971 1.00 0.43 C ATOM 0 H ALA A 94 -3.486 12.158 -2.811 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.066 13.214 -3.862 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.964 15.340 -2.960 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.198 14.436 -3.869 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.221 14.429 -2.089 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.136 12.545 -0.695 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.390 12.575 0.557 1.00 0.35 C ATOM 1450 C ALA A 95 0.621 11.437 0.645 1.00 0.33 C ATOM 1451 O ALA A 95 1.381 11.354 1.611 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.349 12.508 1.732 1.00 0.40 C ATOM 0 H ALA A 95 -1.963 11.948 -0.677 1.00 0.33 H new ATOM 0 HA ALA A 95 0.165 13.512 0.588 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.784 12.531 2.664 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.027 13.361 1.697 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.925 11.584 1.679 1.00 0.40 H new ATOM 1458 N LEU A 96 0.621 10.566 -0.361 1.00 0.35 N ATOM 1459 CA LEU A 96 1.534 9.420 -0.398 1.00 0.36 C ATOM 1460 C LEU A 96 2.986 9.809 -0.090 1.00 0.35 C ATOM 1461 O LEU A 96 3.590 9.213 0.795 1.00 0.34 O ATOM 1462 CB LEU A 96 1.456 8.689 -1.743 1.00 0.44 C ATOM 1463 CG LEU A 96 0.154 7.931 -2.001 1.00 0.49 C ATOM 1464 CD1 LEU A 96 0.135 7.387 -3.418 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.026 6.798 -0.998 1.00 0.49 C ATOM 0 H LEU A 96 -0.003 10.630 -1.166 1.00 0.35 H new ATOM 0 HA LEU A 96 1.204 8.744 0.391 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.598 9.417 -2.542 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.285 7.984 -1.803 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.675 8.628 -1.879 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.798 6.849 -3.589 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.213 8.212 -4.126 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.976 6.708 -3.558 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.960 6.275 -1.204 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.807 6.100 -1.084 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.054 7.207 0.012 1.00 0.49 H new ATOM 1477 N PRO A 97 3.576 10.812 -0.784 1.00 0.37 N ATOM 1478 CA PRO A 97 4.964 11.229 -0.535 1.00 0.39 C ATOM 1479 C PRO A 97 5.242 11.516 0.944 1.00 0.35 C ATOM 1480 O PRO A 97 6.279 11.123 1.479 1.00 0.36 O ATOM 1481 CB PRO A 97 5.122 12.515 -1.370 1.00 0.46 C ATOM 1482 CG PRO A 97 3.739 12.896 -1.783 1.00 0.46 C ATOM 1483 CD PRO A 97 2.968 11.614 -1.860 1.00 0.42 C ATOM 0 HA PRO A 97 5.668 10.442 -0.806 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.589 13.307 -0.785 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.757 12.343 -2.239 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.290 13.580 -1.062 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.745 13.407 -2.746 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.902 11.771 -1.696 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.074 11.134 -2.833 1.00 0.42 H new ATOM 1491 N ARG A 98 4.295 12.172 1.600 1.00 0.34 N ATOM 1492 CA ARG A 98 4.474 12.584 2.986 1.00 0.35 C ATOM 1493 C ARG A 98 4.364 11.396 3.936 1.00 0.31 C ATOM 1494 O ARG A 98 5.097 11.308 4.922 1.00 0.33 O ATOM 1495 CB ARG A 98 3.465 13.673 3.360 1.00 0.44 C ATOM 1496 CG ARG A 98 3.586 14.917 2.494 1.00 1.33 C ATOM 1497 CD ARG A 98 2.741 16.068 3.019 1.00 1.71 C ATOM 1498 NE ARG A 98 1.318 15.734 3.097 1.00 2.37 N ATOM 1499 CZ ARG A 98 0.429 16.025 2.146 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.823 16.555 0.994 1.00 3.56 N ATOM 1501 NH2 ARG A 98 -0.857 15.770 2.341 1.00 4.22 N ATOM 0 H ARG A 98 3.395 12.430 1.195 1.00 0.34 H new ATOM 0 HA ARG A 98 5.478 12.996 3.085 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.456 13.272 3.271 1.00 0.44 H new ATOM 0 HB3 ARG A 98 3.607 13.949 4.405 1.00 0.44 H new ATOM 0 HG2 ARG A 98 4.630 15.226 2.449 1.00 1.33 H new ATOM 0 HG3 ARG A 98 3.280 14.679 1.475 1.00 1.33 H new ATOM 0 HD2 ARG A 98 3.098 16.353 4.009 1.00 1.71 H new ATOM 0 HD3 ARG A 98 2.872 16.935 2.371 1.00 1.71 H new ATOM 0 HE ARG A 98 0.986 15.249 3.930 1.00 2.37 H new ATOM 0 HH11 ARG A 98 1.812 16.743 0.831 1.00 3.56 H new ATOM 0 HH12 ARG A 98 0.136 16.774 0.272 1.00 3.56 H new ATOM 0 HH21 ARG A 98 -1.167 15.351 3.218 1.00 4.22 H new ATOM 0 HH22 ARG A 98 -1.537 15.992 1.614 1.00 4.22 H new ATOM 1515 N LYS A 99 3.460 10.475 3.634 1.00 0.31 N ATOM 1516 CA LYS A 99 3.282 9.291 4.463 1.00 0.36 C ATOM 1517 C LYS A 99 4.435 8.313 4.273 1.00 0.32 C ATOM 1518 O LYS A 99 4.889 7.685 5.227 1.00 0.32 O ATOM 1519 CB LYS A 99 1.940 8.622 4.171 1.00 0.47 C ATOM 1520 CG LYS A 99 0.780 9.286 4.893 1.00 0.86 C ATOM 1521 CD LYS A 99 -0.551 8.640 4.550 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.668 9.151 5.451 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.787 10.634 5.422 1.00 1.44 N ATOM 0 H LYS A 99 2.841 10.524 2.825 1.00 0.31 H new ATOM 0 HA LYS A 99 3.281 9.605 5.507 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.754 8.645 3.097 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.991 7.573 4.463 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.943 9.230 5.969 1.00 0.86 H new ATOM 0 HG3 LYS A 99 0.748 10.343 4.631 1.00 0.86 H new ATOM 0 HD2 LYS A 99 -0.799 8.846 3.509 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.468 7.558 4.650 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -2.614 8.707 5.140 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -1.484 8.824 6.474 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.683 10.919 5.866 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -0.992 11.056 5.943 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.769 10.965 4.436 1.00 1.44 H new ATOM 1537 N LEU A 100 4.909 8.201 3.039 1.00 0.33 N ATOM 1538 CA LEU A 100 6.058 7.357 2.734 1.00 0.35 C ATOM 1539 C LEU A 100 7.296 7.852 3.473 1.00 0.34 C ATOM 1540 O LEU A 100 8.026 7.064 4.074 1.00 0.35 O ATOM 1541 CB LEU A 100 6.322 7.321 1.221 1.00 0.42 C ATOM 1542 CG LEU A 100 5.609 6.209 0.428 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.199 4.848 0.754 1.00 0.62 C ATOM 1544 CD2 LEU A 100 4.111 6.208 0.693 1.00 1.58 C ATOM 0 H LEU A 100 4.515 8.685 2.232 1.00 0.33 H new ATOM 0 HA LEU A 100 5.833 6.344 3.069 1.00 0.35 H new ATOM 0 HB2 LEU A 100 6.029 8.283 0.800 1.00 0.42 H new ATOM 0 HB3 LEU A 100 7.396 7.218 1.064 1.00 0.42 H new ATOM 0 HG LEU A 100 5.765 6.414 -0.631 1.00 0.82 H new ATOM 0 HD11 LEU A 100 5.679 4.080 0.182 1.00 0.62 H new ATOM 0 HD12 LEU A 100 7.258 4.839 0.495 1.00 0.62 H new ATOM 0 HD13 LEU A 100 6.084 4.647 1.819 1.00 0.62 H new ATOM 0 HD21 LEU A 100 3.640 5.411 0.117 1.00 1.58 H new ATOM 0 HD22 LEU A 100 3.930 6.044 1.755 1.00 1.58 H new ATOM 0 HD23 LEU A 100 3.688 7.168 0.396 1.00 1.58 H new ATOM 1556 N ALA A 101 7.508 9.164 3.448 1.00 0.33 N ATOM 1557 CA ALA A 101 8.644 9.773 4.132 1.00 0.36 C ATOM 1558 C ALA A 101 8.549 9.558 5.640 1.00 0.33 C ATOM 1559 O ALA A 101 9.563 9.374 6.321 1.00 0.35 O ATOM 1560 CB ALA A 101 8.716 11.258 3.815 1.00 0.41 C ATOM 0 H ALA A 101 6.906 9.828 2.960 1.00 0.33 H new ATOM 0 HA ALA A 101 9.555 9.292 3.775 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.568 11.699 4.332 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.833 11.395 2.740 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.799 11.745 4.146 1.00 0.41 H new ATOM 1566 N ALA A 102 7.321 9.560 6.145 1.00 0.32 N ATOM 1567 CA ALA A 102 7.075 9.365 7.566 1.00 0.33 C ATOM 1568 C ALA A 102 7.433 7.942 7.981 1.00 0.32 C ATOM 1569 O ALA A 102 8.081 7.727 9.007 1.00 0.35 O ATOM 1570 CB ALA A 102 5.623 9.673 7.903 1.00 0.35 C ATOM 0 H ALA A 102 6.478 9.695 5.587 1.00 0.32 H new ATOM 0 HA ALA A 102 7.710 10.054 8.123 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.457 9.522 8.970 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.401 10.708 7.644 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.969 9.010 7.337 1.00 0.35 H new ATOM 1576 N TRP A 103 7.028 6.973 7.167 1.00 0.30 N ATOM 1577 CA TRP A 103 7.318 5.572 7.448 1.00 0.32 C ATOM 1578 C TRP A 103 8.817 5.302 7.389 1.00 0.32 C ATOM 1579 O TRP A 103 9.324 4.452 8.123 1.00 0.34 O ATOM 1580 CB TRP A 103 6.571 4.649 6.477 1.00 0.33 C ATOM 1581 CG TRP A 103 5.090 4.619 6.708 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.446 4.647 7.912 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.067 4.537 5.710 1.00 0.35 C ATOM 1584 NE1 TRP A 103 3.088 4.603 7.722 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.830 4.535 6.379 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.079 4.472 4.317 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.618 4.471 5.698 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.875 4.406 3.644 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.659 4.408 4.334 1.00 0.44 C ATOM 0 H TRP A 103 6.499 7.132 6.309 1.00 0.30 H new ATOM 0 HA TRP A 103 6.970 5.359 8.459 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.766 4.974 5.455 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.967 3.638 6.571 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.935 4.697 8.874 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.385 4.618 8.461 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.013 4.473 3.774 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.678 4.471 6.229 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.873 4.352 2.565 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.734 4.359 3.778 1.00 0.44 H new ATOM 1600 N GLU A 104 9.524 6.031 6.530 1.00 0.34 N ATOM 1601 CA GLU A 104 10.977 5.916 6.454 1.00 0.38 C ATOM 1602 C GLU A 104 11.605 6.260 7.798 1.00 0.39 C ATOM 1603 O GLU A 104 12.405 5.496 8.345 1.00 0.41 O ATOM 1604 CB GLU A 104 11.557 6.850 5.388 1.00 0.42 C ATOM 1605 CG GLU A 104 11.076 6.577 3.974 1.00 0.45 C ATOM 1606 CD GLU A 104 11.837 7.388 2.945 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.707 8.632 2.945 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.586 6.790 2.139 1.00 0.52 O ATOM 0 H GLU A 104 9.117 6.704 5.880 1.00 0.34 H new ATOM 0 HA GLU A 104 11.207 4.885 6.185 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.306 7.878 5.650 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.644 6.772 5.409 1.00 0.42 H new ATOM 0 HG2 GLU A 104 11.187 5.516 3.753 1.00 0.45 H new ATOM 0 HG3 GLU A 104 10.013 6.808 3.903 1.00 0.45 H new ATOM 1615 N ASN A 105 11.215 7.410 8.328 1.00 0.41 N ATOM 1616 CA ASN A 105 11.773 7.924 9.573 1.00 0.47 C ATOM 1617 C ASN A 105 11.366 7.063 10.766 1.00 0.46 C ATOM 1618 O ASN A 105 12.182 6.774 11.643 1.00 0.50 O ATOM 1619 CB ASN A 105 11.310 9.368 9.792 1.00 0.53 C ATOM 1620 CG ASN A 105 11.952 10.029 11.001 1.00 1.24 C ATOM 1621 OD1 ASN A 105 11.316 10.818 11.697 1.00 2.01 O ATOM 1622 ND2 ASN A 105 13.224 9.747 11.244 1.00 1.70 N ATOM 0 H ASN A 105 10.506 8.012 7.910 1.00 0.41 H new ATOM 0 HA ASN A 105 12.860 7.894 9.492 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.539 9.954 8.902 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.227 9.380 9.912 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.704 10.189 12.028 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.723 9.088 10.647 1.00 1.70 H new ATOM 1629 N ALA A 106 10.115 6.635 10.783 1.00 0.45 N ATOM 1630 CA ALA A 106 9.565 5.937 11.938 1.00 0.48 C ATOM 1631 C ALA A 106 9.905 4.448 11.937 1.00 0.50 C ATOM 1632 O ALA A 106 10.336 3.904 12.953 1.00 0.66 O ATOM 1633 CB ALA A 106 8.055 6.129 11.996 1.00 0.52 C ATOM 0 H ALA A 106 9.459 6.757 10.011 1.00 0.45 H new ATOM 0 HA ALA A 106 10.025 6.372 12.825 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.654 5.603 12.863 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.826 7.192 12.078 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.602 5.730 11.088 1.00 0.52 H new ATOM 1639 N ARG A 107 9.716 3.790 10.801 1.00 0.43 N ATOM 1640 CA ARG A 107 9.845 2.336 10.748 1.00 0.47 C ATOM 1641 C ARG A 107 11.243 1.880 10.341 1.00 0.48 C ATOM 1642 O ARG A 107 11.500 0.679 10.229 1.00 0.56 O ATOM 1643 CB ARG A 107 8.801 1.730 9.804 1.00 0.51 C ATOM 1644 CG ARG A 107 7.355 1.975 10.227 1.00 0.59 C ATOM 1645 CD ARG A 107 7.075 1.490 11.651 1.00 0.72 C ATOM 1646 NE ARG A 107 7.466 0.093 11.851 1.00 0.81 N ATOM 1647 CZ ARG A 107 7.206 -0.605 12.958 1.00 1.10 C ATOM 1648 NH1 ARG A 107 6.534 -0.046 13.959 1.00 1.35 N ATOM 1649 NH2 ARG A 107 7.619 -1.861 13.063 1.00 1.26 N ATOM 0 H ARG A 107 9.476 4.231 9.913 1.00 0.43 H new ATOM 0 HA ARG A 107 9.669 1.975 11.762 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.950 2.140 8.805 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.970 0.655 9.736 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.135 3.040 10.159 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.685 1.466 9.534 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.613 2.120 12.359 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.013 1.602 11.868 1.00 0.72 H new ATOM 0 HE ARG A 107 7.968 -0.376 11.097 1.00 0.81 H new ATOM 0 HH11 ARG A 107 6.215 0.920 13.883 1.00 1.35 H new ATOM 0 HH12 ARG A 107 6.337 -0.583 14.804 1.00 1.35 H new ATOM 0 HH21 ARG A 107 8.136 -2.294 12.297 1.00 1.26 H new ATOM 0 HH22 ARG A 107 7.420 -2.394 13.909 1.00 1.26 H new ATOM 1663 N GLY A 108 12.143 2.833 10.126 1.00 0.45 N ATOM 1664 CA GLY A 108 13.518 2.491 9.807 1.00 0.49 C ATOM 1665 C GLY A 108 13.664 1.943 8.403 1.00 0.46 C ATOM 1666 O GLY A 108 14.231 0.869 8.199 1.00 0.50 O ATOM 0 H GLY A 108 11.947 3.833 10.166 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.145 3.376 9.916 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.882 1.753 10.522 1.00 0.49 H new ATOM 1670 N VAL A 109 13.152 2.681 7.435 1.00 0.42 N ATOM 1671 CA VAL A 109 13.170 2.245 6.047 1.00 0.41 C ATOM 1672 C VAL A 109 13.750 3.351 5.173 1.00 0.43 C ATOM 1673 O VAL A 109 13.618 4.531 5.495 1.00 0.46 O ATOM 1674 CB VAL A 109 11.747 1.871 5.551 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.768 1.416 4.099 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.132 0.788 6.425 1.00 0.43 C ATOM 0 H VAL A 109 12.716 3.591 7.584 1.00 0.42 H new ATOM 0 HA VAL A 109 13.793 1.353 5.978 1.00 0.41 H new ATOM 0 HB VAL A 109 11.133 2.769 5.621 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.756 1.162 3.783 1.00 0.42 H new ATOM 0 HG12 VAL A 109 12.153 2.220 3.471 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.410 0.540 4.001 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.136 0.545 6.056 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.758 -0.104 6.394 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.061 1.146 7.452 1.00 0.43 H new ATOM 1686 N ASP A 110 14.418 2.980 4.092 1.00 0.44 N ATOM 1687 CA ASP A 110 14.961 3.963 3.170 1.00 0.49 C ATOM 1688 C ASP A 110 14.657 3.557 1.736 1.00 0.54 C ATOM 1689 O ASP A 110 15.300 2.662 1.182 1.00 0.57 O ATOM 1690 CB ASP A 110 16.469 4.121 3.362 1.00 0.53 C ATOM 1691 CG ASP A 110 17.009 5.322 2.619 1.00 0.62 C ATOM 1692 OD1 ASP A 110 17.024 6.428 3.205 1.00 0.84 O ATOM 1693 OD2 ASP A 110 17.402 5.179 1.445 1.00 0.79 O ATOM 0 H ASP A 110 14.596 2.010 3.833 1.00 0.44 H new ATOM 0 HA ASP A 110 14.489 4.923 3.379 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.691 4.221 4.424 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.976 3.221 3.014 1.00 0.53 H new ATOM 1698 N PHE A 111 13.667 4.210 1.142 1.00 0.60 N ATOM 1699 CA PHE A 111 13.228 3.877 -0.209 1.00 0.68 C ATOM 1700 C PHE A 111 14.237 4.328 -1.258 1.00 0.77 C ATOM 1701 O PHE A 111 14.214 3.850 -2.393 1.00 0.90 O ATOM 1702 CB PHE A 111 11.858 4.495 -0.492 1.00 0.73 C ATOM 1703 CG PHE A 111 10.729 3.784 0.203 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.512 3.960 1.558 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.894 2.932 -0.499 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.483 3.301 2.203 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.864 2.269 0.139 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.657 2.454 1.492 1.00 0.62 C ATOM 0 H PHE A 111 13.151 4.976 1.575 1.00 0.60 H new ATOM 0 HA PHE A 111 13.149 2.792 -0.270 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.867 5.539 -0.180 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.678 4.485 -1.567 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.156 4.621 2.119 1.00 0.62 H new ATOM 0 HD2 PHE A 111 10.050 2.784 -1.557 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.325 3.448 3.261 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.220 1.606 -0.420 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.851 1.937 1.992 1.00 0.62 H new ATOM 1718 N GLY A 112 15.126 5.238 -0.879 1.00 0.76 N ATOM 1719 CA GLY A 112 16.151 5.692 -1.796 1.00 0.84 C ATOM 1720 C GLY A 112 17.145 4.597 -2.113 1.00 0.79 C ATOM 1721 O GLY A 112 17.439 4.329 -3.279 1.00 0.89 O ATOM 0 H GLY A 112 15.155 5.668 0.045 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.686 6.039 -2.719 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.675 6.544 -1.363 1.00 0.84 H new ATOM 1725 N SER A 113 17.652 3.955 -1.071 1.00 0.71 N ATOM 1726 CA SER A 113 18.587 2.852 -1.231 1.00 0.70 C ATOM 1727 C SER A 113 17.829 1.538 -1.430 1.00 0.68 C ATOM 1728 O SER A 113 18.426 0.494 -1.703 1.00 0.72 O ATOM 1729 CB SER A 113 19.507 2.766 -0.007 1.00 0.71 C ATOM 1730 OG SER A 113 20.586 1.868 -0.220 1.00 1.38 O ATOM 0 H SER A 113 17.430 4.181 -0.101 1.00 0.71 H new ATOM 0 HA SER A 113 19.199 3.030 -2.115 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.899 3.757 0.223 1.00 0.71 H new ATOM 0 HB3 SER A 113 18.930 2.442 0.859 1.00 0.71 H new ATOM 0 HG SER A 113 20.273 1.097 -0.738 1.00 1.38 H new ATOM 1736 N ARG A 114 16.500 1.617 -1.289 1.00 0.68 N ATOM 1737 CA ARG A 114 15.611 0.471 -1.476 1.00 0.75 C ATOM 1738 C ARG A 114 15.896 -0.607 -0.439 1.00 0.68 C ATOM 1739 O ARG A 114 15.892 -1.802 -0.738 1.00 0.72 O ATOM 1740 CB ARG A 114 15.745 -0.093 -2.892 1.00 0.91 C ATOM 1741 CG ARG A 114 15.341 0.894 -3.974 1.00 1.10 C ATOM 1742 CD ARG A 114 15.640 0.351 -5.359 1.00 1.31 C ATOM 1743 NE ARG A 114 17.063 0.077 -5.542 1.00 1.48 N ATOM 1744 CZ ARG A 114 17.546 -0.766 -6.448 1.00 1.92 C ATOM 1745 NH1 ARG A 114 16.721 -1.386 -7.289 1.00 2.13 N ATOM 1746 NH2 ARG A 114 18.853 -0.976 -6.524 1.00 2.70 N ATOM 0 H ARG A 114 16.014 2.479 -1.042 1.00 0.68 H new ATOM 0 HA ARG A 114 14.585 0.812 -1.340 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.778 -0.399 -3.057 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.129 -0.988 -2.979 1.00 0.91 H new ATOM 0 HG2 ARG A 114 14.277 1.113 -3.890 1.00 1.10 H new ATOM 0 HG3 ARG A 114 15.873 1.834 -3.828 1.00 1.10 H new ATOM 0 HD2 ARG A 114 15.071 -0.564 -5.521 1.00 1.31 H new ATOM 0 HD3 ARG A 114 15.309 1.069 -6.109 1.00 1.31 H new ATOM 0 HE ARG A 114 17.726 0.562 -4.938 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.717 -1.214 -7.238 1.00 2.13 H new ATOM 0 HH12 ARG A 114 17.093 -2.033 -7.984 1.00 2.13 H new ATOM 0 HH21 ARG A 114 19.485 -0.491 -5.888 1.00 2.70 H new ATOM 0 HH22 ARG A 114 19.226 -1.623 -7.219 1.00 2.70 H new ATOM 1760 N THR A 115 16.129 -0.167 0.788 1.00 0.60 N ATOM 1761 CA THR A 115 16.497 -1.065 1.868 1.00 0.57 C ATOM 1762 C THR A 115 15.694 -0.768 3.128 1.00 0.52 C ATOM 1763 O THR A 115 15.117 0.313 3.266 1.00 0.53 O ATOM 1764 CB THR A 115 17.994 -0.936 2.196 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.353 0.449 2.285 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.853 -1.621 1.144 1.00 0.78 C ATOM 0 H THR A 115 16.069 0.814 1.060 1.00 0.60 H new ATOM 0 HA THR A 115 16.279 -2.079 1.533 1.00 0.57 H new ATOM 0 HB THR A 115 18.174 -1.426 3.153 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.307 0.527 2.496 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.905 -1.511 1.406 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.599 -2.680 1.100 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.671 -1.163 0.172 1.00 0.78 H new ATOM 1774 N GLN A 116 15.670 -1.722 4.046 1.00 0.50 N ATOM 1775 CA GLN A 116 14.982 -1.541 5.310 1.00 0.51 C ATOM 1776 C GLN A 116 15.855 -2.054 6.449 1.00 0.54 C ATOM 1777 O GLN A 116 16.626 -2.998 6.273 1.00 0.55 O ATOM 1778 CB GLN A 116 13.630 -2.270 5.292 1.00 0.50 C ATOM 1779 CG GLN A 116 13.742 -3.786 5.238 1.00 0.45 C ATOM 1780 CD GLN A 116 12.403 -4.467 5.022 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.520 -3.930 4.356 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.237 -5.647 5.595 1.00 1.00 N ATOM 0 H GLN A 116 16.121 -2.630 3.937 1.00 0.50 H new ATOM 0 HA GLN A 116 14.792 -0.479 5.464 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.066 -1.990 6.182 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.056 -1.928 4.431 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.421 -4.067 4.433 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.182 -4.147 6.168 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.994 -6.060 6.140 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.352 -6.144 5.492 1.00 1.00 H new ATOM 1791 N ALA A 117 15.751 -1.425 7.608 1.00 0.62 N ATOM 1792 CA ALA A 117 16.512 -1.849 8.772 1.00 0.68 C ATOM 1793 C ALA A 117 15.662 -2.750 9.656 1.00 0.68 C ATOM 1794 O ALA A 117 15.869 -2.838 10.867 1.00 0.84 O ATOM 1795 CB ALA A 117 17.007 -0.642 9.553 1.00 0.83 C ATOM 0 H ALA A 117 15.147 -0.619 7.768 1.00 0.62 H new ATOM 0 HA ALA A 117 17.380 -2.415 8.435 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.575 -0.978 10.421 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.647 -0.033 8.915 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.155 -0.049 9.884 1.00 0.83 H new ATOM 1801 N ASP A 118 14.705 -3.421 9.037 1.00 0.69 N ATOM 1802 CA ASP A 118 13.805 -4.313 9.751 1.00 0.73 C ATOM 1803 C ASP A 118 13.792 -5.680 9.078 1.00 0.67 C ATOM 1804 O ASP A 118 14.167 -5.809 7.911 1.00 0.67 O ATOM 1805 CB ASP A 118 12.385 -3.736 9.766 1.00 0.81 C ATOM 1806 CG ASP A 118 11.522 -4.326 10.865 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.125 -5.501 10.759 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.223 -3.604 11.841 1.00 1.04 O ATOM 0 H ASP A 118 14.530 -3.364 8.034 1.00 0.69 H new ATOM 0 HA ASP A 118 14.157 -4.416 10.778 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.438 -2.655 9.893 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.913 -3.920 8.801 1.00 0.81 H new ATOM 1813 N ALA A 119 13.364 -6.691 9.817 1.00 0.72 N ATOM 1814 CA ALA A 119 13.234 -8.033 9.276 1.00 0.73 C ATOM 1815 C ALA A 119 12.043 -8.110 8.331 1.00 0.66 C ATOM 1816 O ALA A 119 12.081 -8.819 7.327 1.00 0.73 O ATOM 1817 CB ALA A 119 13.080 -9.046 10.402 1.00 0.91 C ATOM 0 H ALA A 119 13.100 -6.606 10.798 1.00 0.72 H new ATOM 0 HA ALA A 119 14.139 -8.270 8.716 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.984 -10.047 9.981 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.957 -9.007 11.049 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.189 -8.810 10.984 1.00 0.91 H new ATOM 1823 N LEU A 120 11.001 -7.349 8.645 1.00 0.69 N ATOM 1824 CA LEU A 120 9.773 -7.361 7.866 1.00 0.63 C ATOM 1825 C LEU A 120 8.899 -6.183 8.279 1.00 0.57 C ATOM 1826 O LEU A 120 8.581 -6.031 9.459 1.00 0.65 O ATOM 1827 CB LEU A 120 9.023 -8.677 8.096 1.00 0.73 C ATOM 1828 CG LEU A 120 7.750 -8.866 7.273 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.072 -8.913 5.791 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.025 -10.128 7.703 1.00 1.00 C ATOM 0 H LEU A 120 10.985 -6.711 9.441 1.00 0.69 H new ATOM 0 HA LEU A 120 10.015 -7.275 6.807 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.700 -9.503 7.878 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.764 -8.747 9.153 1.00 0.73 H new ATOM 0 HG LEU A 120 7.095 -8.013 7.451 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.152 -9.048 5.223 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.549 -7.979 5.493 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.747 -9.745 5.592 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.120 -10.249 7.107 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.675 -10.990 7.554 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.758 -10.053 8.757 1.00 1.00 H new ATOM 1842 N VAL A 121 8.487 -5.364 7.324 1.00 0.50 N ATOM 1843 CA VAL A 121 7.705 -4.184 7.648 1.00 0.47 C ATOM 1844 C VAL A 121 6.259 -4.332 7.171 1.00 0.39 C ATOM 1845 O VAL A 121 5.925 -4.111 6.006 1.00 0.33 O ATOM 1846 CB VAL A 121 8.361 -2.886 7.105 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.643 -2.975 5.613 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.503 -1.667 7.425 1.00 0.50 C ATOM 0 H VAL A 121 8.679 -5.493 6.330 1.00 0.50 H new ATOM 0 HA VAL A 121 7.686 -4.094 8.734 1.00 0.47 H new ATOM 0 HB VAL A 121 9.320 -2.772 7.610 1.00 0.49 H new ATOM 0 HG11 VAL A 121 9.102 -2.046 5.273 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.321 -3.807 5.420 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.709 -3.136 5.075 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.984 -0.771 7.034 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.522 -1.782 6.965 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.389 -1.576 8.505 1.00 0.50 H new ATOM 1858 N LEU A 122 5.418 -4.769 8.089 1.00 0.41 N ATOM 1859 CA LEU A 122 3.994 -4.898 7.843 1.00 0.39 C ATOM 1860 C LEU A 122 3.273 -3.750 8.527 1.00 0.42 C ATOM 1861 O LEU A 122 3.575 -3.425 9.673 1.00 0.73 O ATOM 1862 CB LEU A 122 3.480 -6.236 8.385 1.00 0.50 C ATOM 1863 CG LEU A 122 4.286 -7.473 7.964 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.687 -8.730 8.572 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.347 -7.598 6.451 1.00 0.46 C ATOM 0 H LEU A 122 5.704 -5.045 9.028 1.00 0.41 H new ATOM 0 HA LEU A 122 3.805 -4.867 6.770 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.466 -6.186 9.474 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.448 -6.368 8.059 1.00 0.50 H new ATOM 0 HG LEU A 122 5.303 -7.353 8.336 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.271 -9.597 8.263 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.702 -8.651 9.659 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.658 -8.845 8.230 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.924 -8.483 6.182 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.337 -7.689 6.052 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.824 -6.712 6.032 1.00 0.46 H new ATOM 1877 N LEU A 123 2.329 -3.131 7.843 1.00 0.24 N ATOM 1878 CA LEU A 123 1.672 -1.954 8.386 1.00 0.24 C ATOM 1879 C LEU A 123 0.165 -2.164 8.400 1.00 0.24 C ATOM 1880 O LEU A 123 -0.485 -2.173 7.351 1.00 0.25 O ATOM 1881 CB LEU A 123 2.021 -0.700 7.577 1.00 0.26 C ATOM 1882 CG LEU A 123 3.512 -0.374 7.455 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.710 0.926 6.697 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.173 -0.284 8.823 1.00 0.37 C ATOM 0 H LEU A 123 2.002 -3.418 6.921 1.00 0.24 H new ATOM 0 HA LEU A 123 2.027 -1.806 9.406 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.611 -0.813 6.574 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.519 0.154 8.032 1.00 0.26 H new ATOM 0 HG LEU A 123 3.984 -1.186 6.902 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.775 1.143 6.619 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.285 0.833 5.698 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.212 1.737 7.229 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.231 -0.051 8.701 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.694 0.501 9.408 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.068 -1.237 9.341 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.382 -2.349 9.589 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.802 -2.578 9.726 1.00 0.28 C ATOM 1898 C GLY A 124 -2.503 -1.432 10.418 1.00 0.30 C ATOM 1899 O GLY A 124 -1.858 -0.610 11.075 1.00 0.34 O ATOM 0 H GLY A 124 0.136 -2.344 10.467 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.241 -2.727 8.739 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.967 -3.496 10.290 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.819 -1.375 10.270 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.598 -0.343 10.926 1.00 0.36 C ATOM 1905 C GLY A 125 -4.419 1.025 10.299 1.00 0.35 C ATOM 1906 O GLY A 125 -4.525 2.042 10.983 1.00 0.40 O ATOM 0 H GLY A 125 -4.363 -2.027 9.705 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.653 -0.616 10.893 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.314 -0.294 11.977 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.130 1.058 9.007 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.980 2.323 8.301 1.00 0.31 C ATOM 1912 C LEU A 126 -5.335 2.940 7.984 1.00 0.33 C ATOM 1913 O LEU A 126 -6.317 2.232 7.740 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.172 2.150 7.009 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.651 2.222 7.156 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -1.132 1.108 8.045 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.994 2.165 5.785 1.00 0.39 C ATOM 0 H LEU A 126 -3.995 0.229 8.428 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.435 2.996 8.963 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.430 1.187 6.569 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.486 2.918 6.302 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.396 3.169 7.632 1.00 0.34 H new ATOM 0 HD11 LEU A 126 -0.048 1.186 8.130 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.581 1.193 9.035 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.393 0.143 7.610 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.089 2.217 5.898 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.263 1.231 5.291 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.336 3.006 5.182 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.370 4.264 7.985 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.578 5.014 7.668 1.00 0.41 C ATOM 1931 C ASP A 127 -6.293 5.934 6.492 1.00 0.39 C ATOM 1932 O ASP A 127 -5.135 6.111 6.106 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.051 5.855 8.865 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.344 5.030 10.101 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.359 4.304 10.114 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.564 5.117 11.074 1.00 1.11 O ATOM 0 H ASP A 127 -4.564 4.849 8.205 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.367 4.304 7.420 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.287 6.595 9.104 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.949 6.404 8.582 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.331 6.539 5.941 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.181 7.389 4.768 1.00 0.42 C ATOM 1943 C PHE A 128 -7.284 8.860 5.144 1.00 0.49 C ATOM 1944 O PHE A 128 -7.871 9.658 4.416 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.230 7.039 3.707 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.010 5.699 3.060 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.569 4.551 3.601 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.241 5.586 1.913 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -8.365 3.320 3.012 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -7.033 4.355 1.318 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.596 3.221 1.870 1.00 0.58 C ATOM 0 H PHE A 128 -8.288 6.459 6.286 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.190 7.210 4.351 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.218 7.053 4.167 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.226 7.810 2.936 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -9.172 4.621 4.495 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -6.799 6.470 1.478 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.807 2.434 3.444 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.432 4.281 0.424 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.435 2.258 1.409 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.717 9.211 6.286 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.712 10.593 6.731 1.00 0.63 C ATOM 1963 C GLU A 129 -5.517 11.325 6.136 1.00 0.64 C ATOM 1964 O GLU A 129 -4.374 10.879 6.260 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.682 10.675 8.261 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.738 12.099 8.794 1.00 1.58 C ATOM 1967 CD GLU A 129 -7.935 12.874 8.275 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -9.052 12.668 8.792 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -7.761 13.698 7.350 1.00 3.00 O ATOM 0 H GLU A 129 -6.255 8.559 6.920 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.629 11.071 6.386 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.524 10.112 8.664 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.774 10.195 8.625 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -6.772 12.073 9.883 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -5.823 12.623 8.516 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.794 12.433 5.474 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.769 13.223 4.826 1.00 0.92 C ATOM 1978 C ALA A 130 -5.186 14.686 4.793 1.00 1.47 C ATOM 1979 O ALA A 130 -4.480 15.527 5.387 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.516 12.704 3.421 1.00 0.97 C ATOM 1981 OXT ALA A 130 -6.240 14.983 4.201 1.00 2.26 O ATOM 0 H ALA A 130 -6.737 12.809 5.372 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.842 13.139 5.393 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.743 13.307 2.944 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.188 11.666 3.470 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.435 12.767 2.839 1.00 0.97 H new TER 1987 ALA A 130