USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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 89 CYS SG : rot -73:sc= -0.0786 USER MOD Set 1.2: A 100 SER OG : rot -150:sc= 0.481 USER MOD Single : A 1 ASP N :NH3+ 145:sc= 1.29 (180deg=0.891) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0363 (180deg=-0.262) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= -2.1! (180deg=-3.99!) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0268) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.19) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 56 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.6) USER MOD Single : A 58 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.6!) USER MOD Single : A 60 HIS : no HE2:sc= -0.406 K(o=-0.41,f=-4.6!) USER MOD Single : A 62 SER OG : rot 73:sc= 0.304 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.08 (180deg=0.36) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.65 K(o=0.65,f=-5.4!) USER MOD Single : A 77 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 80 GLN : amide:sc= -3.09! K(o=-3.1!,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -45:sc= -7.21! USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -5.04! (180deg=-6.17!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -132:sc= -0.48 USER MOD Single : A 101 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.18) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.129 K(o=0.13,f=-5.2!) USER MOD Single : A 110 MET CE :methyl -140:sc= -0.177 (180deg=-0.807) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.490 -11.443 0.778 1.00 0.92 N ATOM 2 CA ASP A 1 -18.069 -10.462 -0.251 1.00 0.81 C ATOM 3 C ASP A 1 -19.190 -10.172 -1.209 1.00 0.80 C ATOM 4 O ASP A 1 -19.625 -11.026 -1.975 1.00 0.99 O ATOM 5 CB ASP A 1 -16.847 -10.971 -1.003 1.00 0.90 C ATOM 6 CG ASP A 1 -15.715 -11.350 -0.083 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.806 -12.410 0.559 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.732 -10.589 -0.006 1.00 1.93 O ATOM 0 H1 ASP A 1 -17.686 -12.056 1.023 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.812 -10.938 1.628 1.00 0.92 H new ATOM 0 H3 ASP A 1 -19.267 -12.025 0.406 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.806 -9.533 0.255 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -17.129 -11.837 -1.602 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.505 -10.202 -1.696 1.00 0.90 H new ATOM 13 N ASP A 2 -19.643 -8.943 -1.137 1.00 0.70 N ATOM 14 CA ASP A 2 -20.654 -8.414 -1.997 1.00 0.72 C ATOM 15 C ASP A 2 -19.996 -7.708 -3.169 1.00 0.70 C ATOM 16 O ASP A 2 -18.818 -7.358 -3.078 1.00 0.75 O ATOM 17 CB ASP A 2 -21.417 -7.413 -1.175 1.00 0.79 C ATOM 18 CG ASP A 2 -22.179 -8.038 -0.029 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.984 -8.952 -0.299 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.006 -7.600 1.122 1.00 1.65 O ATOM 0 H ASP A 2 -19.301 -8.268 -0.453 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.306 -9.197 -2.385 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.722 -6.673 -0.779 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -22.116 -6.881 -1.820 1.00 0.79 H new ATOM 25 N PRO A 3 -20.722 -7.473 -4.266 1.00 0.71 N ATOM 26 CA PRO A 3 -20.185 -6.750 -5.423 1.00 0.72 C ATOM 27 C PRO A 3 -19.734 -5.332 -5.068 1.00 0.66 C ATOM 28 O PRO A 3 -20.525 -4.387 -5.070 1.00 0.97 O ATOM 29 CB PRO A 3 -21.348 -6.722 -6.421 1.00 0.84 C ATOM 30 CG PRO A 3 -22.568 -7.032 -5.622 1.00 0.94 C ATOM 31 CD PRO A 3 -22.115 -7.896 -4.481 1.00 0.81 C ATOM 0 HA PRO A 3 -19.294 -7.235 -5.820 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.430 -5.746 -6.900 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.202 -7.455 -7.214 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.036 -6.118 -5.256 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.310 -7.549 -6.230 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.725 -7.739 -3.591 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.180 -8.955 -4.729 1.00 0.81 H new ATOM 39 N ILE A 4 -18.465 -5.214 -4.711 1.00 0.45 N ATOM 40 CA ILE A 4 -17.836 -3.933 -4.407 1.00 0.41 C ATOM 41 C ILE A 4 -16.718 -3.683 -5.392 1.00 0.41 C ATOM 42 O ILE A 4 -16.776 -2.759 -6.198 1.00 0.50 O ATOM 43 CB ILE A 4 -17.271 -3.899 -2.958 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.363 -3.535 -1.960 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.108 -2.921 -2.819 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.389 -4.613 -1.766 1.00 0.46 C ATOM 0 H ILE A 4 -17.834 -6.011 -4.622 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.594 -3.154 -4.487 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.900 -4.901 -2.742 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.903 -3.307 -0.999 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.863 -2.627 -2.297 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.745 -2.931 -1.791 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.302 -3.216 -3.491 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.445 -1.917 -3.076 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.133 -4.281 -1.042 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.878 -4.826 -2.717 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.903 -5.516 -1.398 1.00 0.46 H new ATOM 58 N GLY A 5 -15.706 -4.528 -5.325 1.00 0.36 N ATOM 59 CA GLY A 5 -14.551 -4.340 -6.163 1.00 0.39 C ATOM 60 C GLY A 5 -13.536 -3.566 -5.391 1.00 0.33 C ATOM 61 O GLY A 5 -12.908 -2.640 -5.892 1.00 0.33 O ATOM 0 H GLY A 5 -15.665 -5.338 -4.706 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.143 -5.303 -6.469 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.825 -3.806 -7.073 1.00 0.39 H new ATOM 65 N LEU A 6 -13.418 -3.978 -4.140 1.00 0.32 N ATOM 66 CA LEU A 6 -12.634 -3.298 -3.134 1.00 0.29 C ATOM 67 C LEU A 6 -11.228 -3.068 -3.633 1.00 0.29 C ATOM 68 O LEU A 6 -10.638 -2.012 -3.424 1.00 0.33 O ATOM 69 CB LEU A 6 -12.617 -4.172 -1.889 1.00 0.29 C ATOM 70 CG LEU A 6 -12.548 -3.439 -0.559 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.686 -2.445 -0.412 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.578 -4.452 0.556 1.00 0.28 C ATOM 0 H LEU A 6 -13.879 -4.818 -3.791 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.070 -2.325 -2.907 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.513 -4.792 -1.893 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.763 -4.846 -1.954 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.620 -2.870 -0.516 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.605 -1.939 0.550 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.632 -1.709 -1.214 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.639 -2.972 -0.466 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.529 -3.938 1.516 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.502 -5.028 0.500 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.725 -5.124 0.460 1.00 0.28 H new ATOM 84 N PHE A 7 -10.708 -4.058 -4.319 1.00 0.30 N ATOM 85 CA PHE A 7 -9.402 -3.952 -4.898 1.00 0.32 C ATOM 86 C PHE A 7 -9.521 -3.527 -6.341 1.00 0.29 C ATOM 87 O PHE A 7 -9.549 -4.349 -7.258 1.00 0.32 O ATOM 88 CB PHE A 7 -8.669 -5.270 -4.765 1.00 0.41 C ATOM 89 CG PHE A 7 -7.419 -5.153 -3.954 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.475 -4.982 -2.578 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.187 -5.219 -4.565 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.318 -4.871 -1.833 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.034 -5.106 -3.829 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.096 -4.939 -2.462 1.00 0.61 C ATOM 0 H PHE A 7 -11.177 -4.948 -4.487 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.824 -3.195 -4.368 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.330 -6.004 -4.304 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.420 -5.645 -5.758 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.434 -4.935 -2.084 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.127 -5.361 -5.634 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.372 -4.732 -0.763 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.074 -5.148 -4.323 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.186 -4.862 -1.885 1.00 0.61 H new ATOM 104 N VAL A 8 -9.626 -2.225 -6.517 1.00 0.28 N ATOM 105 CA VAL A 8 -9.766 -1.629 -7.831 1.00 0.34 C ATOM 106 C VAL A 8 -8.442 -1.719 -8.569 1.00 0.44 C ATOM 107 O VAL A 8 -8.376 -2.183 -9.706 1.00 0.63 O ATOM 108 CB VAL A 8 -10.206 -0.153 -7.727 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.611 0.390 -9.088 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.343 0.002 -6.726 1.00 0.33 C ATOM 0 H VAL A 8 -9.617 -1.550 -5.753 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.534 -2.175 -8.379 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.355 0.428 -7.370 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.917 1.431 -8.988 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.765 0.324 -9.772 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.442 -0.196 -9.481 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.637 1.050 -6.669 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.195 -0.597 -7.048 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.012 -0.336 -5.744 1.00 0.33 H new ATOM 120 N MET A 9 -7.387 -1.304 -7.892 1.00 0.43 N ATOM 121 CA MET A 9 -6.041 -1.400 -8.434 1.00 0.65 C ATOM 122 C MET A 9 -5.078 -1.781 -7.323 1.00 0.44 C ATOM 123 O MET A 9 -5.159 -1.250 -6.214 1.00 0.44 O ATOM 124 CB MET A 9 -5.599 -0.084 -9.063 1.00 1.05 C ATOM 125 CG MET A 9 -4.240 -0.156 -9.740 1.00 1.45 C ATOM 126 SD MET A 9 -3.668 1.455 -10.307 1.00 2.35 S ATOM 127 CE MET A 9 -2.069 1.028 -10.987 1.00 2.88 C ATOM 0 H MET A 9 -7.436 -0.894 -6.959 1.00 0.43 H new ATOM 0 HA MET A 9 -6.039 -2.163 -9.212 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.344 0.227 -9.796 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.570 0.686 -8.292 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.512 -0.572 -9.044 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.296 -0.838 -10.589 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.589 1.925 -11.379 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.445 0.595 -10.205 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.197 0.304 -11.792 1.00 2.88 H new ATOM 137 N ARG A 10 -4.180 -2.695 -7.621 1.00 0.47 N ATOM 138 CA ARG A 10 -3.206 -3.152 -6.647 1.00 0.41 C ATOM 139 C ARG A 10 -1.813 -2.687 -7.014 1.00 0.39 C ATOM 140 O ARG A 10 -1.419 -2.723 -8.182 1.00 0.45 O ATOM 141 CB ARG A 10 -3.225 -4.681 -6.485 1.00 0.46 C ATOM 142 CG ARG A 10 -3.553 -5.478 -7.742 1.00 0.97 C ATOM 143 CD ARG A 10 -5.058 -5.553 -7.966 1.00 1.34 C ATOM 144 NE ARG A 10 -5.453 -6.704 -8.775 1.00 2.11 N ATOM 145 CZ ARG A 10 -6.446 -7.531 -8.446 1.00 2.72 C ATOM 146 NH1 ARG A 10 -7.177 -7.289 -7.359 1.00 2.74 N ATOM 147 NH2 ARG A 10 -6.718 -8.590 -9.198 1.00 3.67 N ATOM 0 H ARG A 10 -4.102 -3.140 -8.535 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.486 -2.711 -5.690 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.249 -5.001 -6.119 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -3.953 -4.937 -5.715 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.076 -5.014 -8.605 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -3.144 -6.485 -7.655 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -5.562 -5.603 -7.001 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -5.394 -4.639 -8.455 1.00 1.34 H new ATOM 0 HE ARG A 10 -4.941 -6.885 -9.639 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -6.977 -6.473 -6.781 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -7.937 -7.920 -7.105 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -6.166 -8.777 -10.035 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.479 -9.217 -8.939 1.00 3.67 H new ATOM 161 N PRO A 11 -1.050 -2.239 -6.012 1.00 0.43 N ATOM 162 CA PRO A 11 0.318 -1.812 -6.215 1.00 0.50 C ATOM 163 C PRO A 11 1.215 -3.001 -6.493 1.00 0.47 C ATOM 164 O PRO A 11 0.900 -4.131 -6.117 1.00 0.54 O ATOM 165 CB PRO A 11 0.724 -1.129 -4.909 1.00 0.62 C ATOM 166 CG PRO A 11 -0.388 -1.341 -3.938 1.00 0.64 C ATOM 167 CD PRO A 11 -1.471 -2.141 -4.611 1.00 0.53 C ATOM 0 HA PRO A 11 0.410 -1.144 -7.071 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.654 -1.550 -4.527 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.898 -0.065 -5.069 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.024 -1.866 -3.055 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.781 -0.383 -3.599 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.573 -3.128 -4.159 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.439 -1.648 -4.523 1.00 0.53 H new ATOM 175 N GLN A 12 2.316 -2.754 -7.165 1.00 0.44 N ATOM 176 CA GLN A 12 3.192 -3.812 -7.592 1.00 0.43 C ATOM 177 C GLN A 12 4.564 -3.613 -6.987 1.00 0.37 C ATOM 178 O GLN A 12 4.784 -2.631 -6.284 1.00 0.40 O ATOM 179 CB GLN A 12 3.249 -3.799 -9.107 1.00 0.55 C ATOM 180 CG GLN A 12 1.868 -3.913 -9.721 1.00 0.73 C ATOM 181 CD GLN A 12 1.286 -5.314 -9.615 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.411 -6.120 -10.540 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.678 -5.635 -8.473 1.00 1.32 N ATOM 0 H GLN A 12 2.625 -1.818 -7.428 1.00 0.44 H new ATOM 0 HA GLN A 12 2.821 -4.781 -7.257 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.723 -2.878 -9.445 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.871 -4.624 -9.455 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.198 -3.209 -9.228 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.918 -3.624 -10.771 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.592 -4.943 -7.729 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.298 -6.573 -8.343 1.00 1.32 H new ATOM 192 N ASP A 13 5.468 -4.549 -7.249 1.00 0.34 N ATOM 193 CA ASP A 13 6.769 -4.558 -6.695 1.00 0.33 C ATOM 194 C ASP A 13 7.602 -3.398 -7.196 1.00 0.36 C ATOM 195 O ASP A 13 7.135 -2.274 -7.392 1.00 0.50 O ATOM 196 CB ASP A 13 7.410 -5.881 -7.111 1.00 0.35 C ATOM 197 CG ASP A 13 7.373 -6.115 -8.611 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.305 -6.506 -9.123 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.417 -5.918 -9.277 1.00 2.06 O ATOM 0 H ASP A 13 5.287 -5.335 -7.874 1.00 0.34 H new ATOM 0 HA ASP A 13 6.715 -4.457 -5.611 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.446 -5.898 -6.772 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.896 -6.701 -6.609 1.00 0.35 H new ATOM 204 N GLY A 14 8.837 -3.705 -7.414 1.00 0.30 N ATOM 205 CA GLY A 14 9.784 -2.718 -7.828 1.00 0.30 C ATOM 206 C GLY A 14 11.159 -3.027 -7.329 1.00 0.25 C ATOM 207 O GLY A 14 11.361 -3.364 -6.167 1.00 0.28 O ATOM 0 H GLY A 14 9.220 -4.645 -7.311 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.796 -2.660 -8.916 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.475 -1.740 -7.460 1.00 0.30 H new ATOM 211 N GLU A 15 12.091 -2.920 -8.223 1.00 0.26 N ATOM 212 CA GLU A 15 13.488 -3.102 -7.902 1.00 0.25 C ATOM 213 C GLU A 15 14.193 -1.779 -8.080 1.00 0.23 C ATOM 214 O GLU A 15 14.327 -1.287 -9.199 1.00 0.30 O ATOM 215 CB GLU A 15 14.136 -4.166 -8.791 1.00 0.33 C ATOM 216 CG GLU A 15 13.489 -5.536 -8.699 1.00 0.69 C ATOM 217 CD GLU A 15 14.387 -6.624 -9.246 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.466 -6.859 -8.657 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.028 -7.249 -10.269 1.00 1.53 O ATOM 0 H GLU A 15 11.912 -2.703 -9.204 1.00 0.26 H new ATOM 0 HA GLU A 15 13.574 -3.446 -6.871 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.099 -3.829 -9.827 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.189 -4.255 -8.522 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.248 -5.754 -7.659 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.549 -5.531 -9.250 1.00 0.69 H new ATOM 226 N VAL A 16 14.636 -1.206 -6.980 1.00 0.20 N ATOM 227 CA VAL A 16 15.132 0.105 -6.967 1.00 0.21 C ATOM 228 C VAL A 16 16.482 0.063 -6.318 1.00 0.22 C ATOM 229 O VAL A 16 16.845 -0.910 -5.677 1.00 0.27 O ATOM 230 CB VAL A 16 14.201 1.047 -6.182 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.746 0.799 -6.546 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.423 0.930 -4.675 1.00 0.23 C ATOM 0 H VAL A 16 14.651 -1.666 -6.070 1.00 0.20 H new ATOM 0 HA VAL A 16 15.195 0.488 -7.985 1.00 0.21 H new ATOM 0 HB VAL A 16 14.450 2.069 -6.467 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.108 1.477 -5.978 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.603 0.974 -7.612 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.482 -0.232 -6.309 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.748 1.609 -4.154 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.225 -0.093 -4.356 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.455 1.190 -4.438 1.00 0.23 H new ATOM 242 N THR A 17 17.201 1.092 -6.515 1.00 0.23 N ATOM 243 CA THR A 17 18.513 1.238 -5.951 1.00 0.27 C ATOM 244 C THR A 17 18.414 2.030 -4.659 1.00 0.28 C ATOM 245 O THR A 17 17.482 2.819 -4.481 1.00 0.28 O ATOM 246 CB THR A 17 19.430 1.981 -6.925 1.00 0.35 C ATOM 247 OG1 THR A 17 18.849 1.973 -8.238 1.00 0.77 O ATOM 248 CG2 THR A 17 20.803 1.342 -6.973 1.00 0.56 C ATOM 0 H THR A 17 16.904 1.885 -7.083 1.00 0.23 H new ATOM 0 HA THR A 17 18.928 0.249 -5.756 1.00 0.27 H new ATOM 0 HB THR A 17 19.540 3.008 -6.577 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.437 2.451 -8.859 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.435 1.889 -7.673 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.252 1.370 -5.980 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.711 0.307 -7.301 1.00 0.56 H new ATOM 256 N VAL A 18 19.344 1.809 -3.751 1.00 0.31 N ATOM 257 CA VAL A 18 19.417 2.619 -2.564 1.00 0.35 C ATOM 258 C VAL A 18 19.792 4.001 -2.969 1.00 0.36 C ATOM 259 O VAL A 18 20.926 4.304 -3.349 1.00 0.39 O ATOM 260 CB VAL A 18 20.455 2.175 -1.554 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.195 2.817 -0.203 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.520 0.671 -1.444 1.00 0.78 C ATOM 0 H VAL A 18 20.053 1.079 -3.817 1.00 0.31 H new ATOM 0 HA VAL A 18 18.439 2.539 -2.089 1.00 0.35 H new ATOM 0 HB VAL A 18 21.429 2.511 -1.909 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.951 2.486 0.509 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.239 3.902 -0.301 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.208 2.525 0.154 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.276 0.392 -0.710 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.550 0.287 -1.129 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.781 0.246 -2.413 1.00 0.78 H new ATOM 272 N GLY A 19 18.811 4.794 -2.904 1.00 0.38 N ATOM 273 CA GLY A 19 18.953 6.186 -3.199 1.00 0.45 C ATOM 274 C GLY A 19 18.046 6.611 -4.314 1.00 0.40 C ATOM 275 O GLY A 19 18.202 7.705 -4.854 1.00 0.48 O ATOM 0 H GLY A 19 17.866 4.512 -2.643 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.732 6.772 -2.307 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.987 6.397 -3.471 1.00 0.45 H new ATOM 279 N GLY A 20 17.104 5.754 -4.698 1.00 0.32 N ATOM 280 CA GLY A 20 16.118 6.187 -5.606 1.00 0.32 C ATOM 281 C GLY A 20 14.857 6.428 -4.875 1.00 0.30 C ATOM 282 O GLY A 20 14.802 7.139 -3.874 1.00 0.44 O ATOM 0 H GLY A 20 17.026 4.785 -4.388 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.443 7.100 -6.106 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.965 5.436 -6.381 1.00 0.32 H new ATOM 286 N SER A 21 13.864 5.826 -5.386 1.00 0.24 N ATOM 287 CA SER A 21 12.575 5.858 -4.836 1.00 0.22 C ATOM 288 C SER A 21 11.828 4.607 -5.200 1.00 0.22 C ATOM 289 O SER A 21 12.296 3.774 -5.969 1.00 0.25 O ATOM 290 CB SER A 21 11.844 7.060 -5.358 1.00 0.30 C ATOM 291 OG SER A 21 12.023 7.202 -6.757 1.00 0.82 O ATOM 0 H SER A 21 13.929 5.271 -6.239 1.00 0.24 H new ATOM 0 HA SER A 21 12.647 5.919 -3.750 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.782 6.969 -5.132 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.202 7.956 -4.850 1.00 0.30 H new ATOM 0 HG SER A 21 11.535 7.992 -7.071 1.00 0.82 H new ATOM 297 N ILE A 22 10.676 4.510 -4.636 1.00 0.22 N ATOM 298 CA ILE A 22 9.696 3.574 -5.010 1.00 0.24 C ATOM 299 C ILE A 22 8.358 4.206 -4.779 1.00 0.25 C ATOM 300 O ILE A 22 8.170 5.086 -3.940 1.00 0.27 O ATOM 301 CB ILE A 22 9.804 2.241 -4.280 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.945 1.184 -4.958 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.422 2.339 -2.816 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.343 0.864 -6.381 1.00 0.32 C ATOM 0 H ILE A 22 10.386 5.113 -3.866 1.00 0.22 H new ATOM 0 HA ILE A 22 9.843 3.325 -6.061 1.00 0.24 H new ATOM 0 HB ILE A 22 10.854 1.951 -4.328 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.987 0.268 -4.369 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.908 1.519 -4.952 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.518 1.359 -2.348 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.082 3.047 -2.314 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.391 2.682 -2.731 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.676 0.101 -6.783 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.272 1.765 -6.990 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.368 0.494 -6.398 1.00 0.32 H new ATOM 316 N THR A 23 7.470 3.786 -5.562 1.00 0.25 N ATOM 317 CA THR A 23 6.138 4.337 -5.569 1.00 0.23 C ATOM 318 C THR A 23 5.129 3.235 -5.707 1.00 0.24 C ATOM 319 O THR A 23 5.172 2.433 -6.639 1.00 0.28 O ATOM 320 CB THR A 23 5.918 5.355 -6.695 1.00 0.26 C ATOM 321 OG1 THR A 23 6.972 6.332 -6.704 1.00 0.31 O ATOM 322 CG2 THR A 23 4.572 6.052 -6.528 1.00 0.24 C ATOM 0 H THR A 23 7.618 3.038 -6.240 1.00 0.25 H new ATOM 0 HA THR A 23 6.013 4.860 -4.621 1.00 0.23 H new ATOM 0 HB THR A 23 5.925 4.819 -7.644 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.818 6.973 -7.429 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.432 6.771 -7.335 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.773 5.312 -6.559 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.548 6.572 -5.571 1.00 0.24 H new ATOM 330 N PHE A 24 4.239 3.201 -4.762 1.00 0.24 N ATOM 331 CA PHE A 24 3.161 2.255 -4.766 1.00 0.27 C ATOM 332 C PHE A 24 1.847 3.005 -4.785 1.00 0.24 C ATOM 333 O PHE A 24 1.726 4.093 -4.225 1.00 0.30 O ATOM 334 CB PHE A 24 3.236 1.360 -3.539 1.00 0.40 C ATOM 335 CG PHE A 24 4.560 0.669 -3.359 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.070 -0.149 -4.354 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.299 0.846 -2.202 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.293 -0.773 -4.200 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.522 0.222 -2.042 1.00 0.51 C ATOM 340 CZ PHE A 24 6.993 -0.630 -3.012 1.00 0.49 C ATOM 0 H PHE A 24 4.239 3.832 -3.961 1.00 0.24 H new ATOM 0 HA PHE A 24 3.236 1.625 -5.652 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.028 1.960 -2.653 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.451 0.606 -3.605 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.504 -0.301 -5.261 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.916 1.479 -1.415 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.702 -1.370 -5.002 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.108 0.404 -1.153 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.905 -1.186 -2.849 1.00 0.49 H new ATOM 350 N SER A 25 0.890 2.426 -5.448 1.00 0.28 N ATOM 351 CA SER A 25 -0.430 2.996 -5.564 1.00 0.28 C ATOM 352 C SER A 25 -1.485 1.912 -5.411 1.00 0.27 C ATOM 353 O SER A 25 -1.536 0.947 -6.168 1.00 0.31 O ATOM 354 CB SER A 25 -0.599 3.686 -6.906 1.00 0.35 C ATOM 355 OG SER A 25 0.650 3.875 -7.559 1.00 0.58 O ATOM 0 H SER A 25 1.000 1.534 -5.931 1.00 0.28 H new ATOM 0 HA SER A 25 -0.554 3.734 -4.771 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.256 3.092 -7.541 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.084 4.651 -6.761 1.00 0.35 H new ATOM 0 HG SER A 25 0.505 4.320 -8.420 1.00 0.58 H new ATOM 361 N ALA A 26 -2.309 2.098 -4.423 1.00 0.26 N ATOM 362 CA ALA A 26 -3.364 1.155 -4.082 1.00 0.26 C ATOM 363 C ALA A 26 -4.732 1.824 -4.172 1.00 0.22 C ATOM 364 O ALA A 26 -5.020 2.765 -3.435 1.00 0.25 O ATOM 365 CB ALA A 26 -3.122 0.609 -2.681 1.00 0.32 C ATOM 0 H ALA A 26 -2.277 2.916 -3.815 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.349 0.329 -4.793 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.911 -0.097 -2.424 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.157 0.102 -2.650 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.124 1.431 -1.965 1.00 0.32 H new ATOM 371 N ARG A 27 -5.565 1.348 -5.085 1.00 0.22 N ATOM 372 CA ARG A 27 -6.888 1.929 -5.287 1.00 0.25 C ATOM 373 C ARG A 27 -7.962 1.043 -4.666 1.00 0.23 C ATOM 374 O ARG A 27 -8.091 -0.127 -5.034 1.00 0.31 O ATOM 375 CB ARG A 27 -7.177 2.102 -6.779 1.00 0.36 C ATOM 376 CG ARG A 27 -6.271 3.097 -7.483 1.00 0.28 C ATOM 377 CD ARG A 27 -6.638 3.206 -8.958 1.00 0.46 C ATOM 378 NE ARG A 27 -5.851 4.219 -9.661 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.777 4.316 -10.991 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.455 3.480 -11.764 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.037 5.265 -11.546 1.00 2.43 N ATOM 0 H ARG A 27 -5.351 0.562 -5.698 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.903 2.905 -4.803 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.083 1.133 -7.270 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.212 2.422 -6.901 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.357 4.074 -7.008 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.232 2.784 -7.383 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.490 2.239 -9.438 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.697 3.447 -9.048 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.327 4.892 -9.102 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.038 2.756 -11.344 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.394 3.560 -12.779 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.524 5.921 -10.957 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.980 5.339 -12.562 1.00 2.43 H new ATOM 395 N VAL A 28 -8.738 1.601 -3.742 1.00 0.19 N ATOM 396 CA VAL A 28 -9.758 0.854 -3.057 1.00 0.20 C ATOM 397 C VAL A 28 -11.103 1.511 -3.234 1.00 0.23 C ATOM 398 O VAL A 28 -11.272 2.715 -3.041 1.00 0.24 O ATOM 399 CB VAL A 28 -9.478 0.707 -1.559 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.493 -0.239 -0.918 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.055 0.226 -1.350 1.00 0.23 C ATOM 0 H VAL A 28 -8.669 2.578 -3.457 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.758 -0.141 -3.502 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.583 1.677 -1.073 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.281 -0.333 0.147 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.498 0.160 -1.054 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.425 -1.219 -1.390 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.859 0.122 -0.283 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.922 -0.739 -1.839 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.360 0.949 -1.778 1.00 0.23 H new ATOM 411 N ALA A 29 -12.025 0.694 -3.635 1.00 0.29 N ATOM 412 CA ALA A 29 -13.403 1.073 -3.819 1.00 0.32 C ATOM 413 C ALA A 29 -14.059 1.442 -2.503 1.00 0.34 C ATOM 414 O ALA A 29 -14.264 0.596 -1.634 1.00 0.40 O ATOM 415 CB ALA A 29 -14.167 -0.057 -4.471 1.00 0.38 C ATOM 0 H ALA A 29 -11.841 -0.286 -3.852 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.424 1.951 -4.465 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.208 0.238 -4.606 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.725 -0.283 -5.441 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.120 -0.942 -3.836 1.00 0.38 H new ATOM 421 N GLY A 30 -14.351 2.719 -2.369 1.00 0.35 N ATOM 422 CA GLY A 30 -15.125 3.209 -1.244 1.00 0.42 C ATOM 423 C GLY A 30 -16.420 2.433 -1.041 1.00 0.50 C ATOM 424 O GLY A 30 -16.821 2.161 0.091 1.00 0.76 O ATOM 0 H GLY A 30 -14.063 3.441 -3.029 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.522 3.146 -0.338 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.358 4.263 -1.399 1.00 0.42 H new ATOM 428 N ALA A 31 -17.063 2.087 -2.161 1.00 0.49 N ATOM 429 CA ALA A 31 -18.317 1.323 -2.173 1.00 0.55 C ATOM 430 C ALA A 31 -19.431 2.018 -1.387 1.00 0.64 C ATOM 431 O ALA A 31 -19.319 3.194 -1.031 1.00 0.71 O ATOM 432 CB ALA A 31 -18.081 -0.076 -1.628 1.00 0.58 C ATOM 0 H ALA A 31 -16.726 2.331 -3.092 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.648 1.259 -3.210 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.017 -0.634 -1.641 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.344 -0.588 -2.247 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.712 -0.010 -0.604 1.00 0.58 H new ATOM 438 N SER A 32 -20.539 1.307 -1.184 1.00 0.85 N ATOM 439 CA SER A 32 -21.579 1.770 -0.276 1.00 0.96 C ATOM 440 C SER A 32 -21.086 1.593 1.153 1.00 1.01 C ATOM 441 O SER A 32 -20.783 2.572 1.834 1.00 1.69 O ATOM 442 CB SER A 32 -22.880 0.994 -0.490 1.00 1.19 C ATOM 443 OG SER A 32 -23.276 1.023 -1.851 1.00 1.74 O ATOM 0 H SER A 32 -20.736 0.413 -1.635 1.00 0.85 H new ATOM 0 HA SER A 32 -21.789 2.822 -0.472 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.747 -0.039 -0.169 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.668 1.422 0.130 1.00 1.19 H new ATOM 0 HG SER A 32 -24.109 0.518 -1.960 1.00 1.74 H new ATOM 449 N LEU A 33 -21.016 0.328 1.593 1.00 0.96 N ATOM 450 CA LEU A 33 -20.299 -0.029 2.814 1.00 0.93 C ATOM 451 C LEU A 33 -21.007 0.503 4.094 1.00 0.90 C ATOM 452 O LEU A 33 -21.836 1.414 4.040 1.00 0.98 O ATOM 453 CB LEU A 33 -18.805 0.435 2.635 1.00 0.99 C ATOM 454 CG LEU A 33 -18.049 0.932 3.848 1.00 1.26 C ATOM 455 CD1 LEU A 33 -18.658 2.213 4.386 1.00 2.16 C ATOM 456 CD2 LEU A 33 -17.956 -0.213 4.840 1.00 1.95 C ATOM 0 H LEU A 33 -21.450 -0.462 1.116 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.303 -1.108 2.970 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.246 -0.403 2.218 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.793 1.230 1.889 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.029 1.222 3.597 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -18.094 2.546 5.257 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -18.624 2.983 3.616 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -19.694 2.031 4.672 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.415 0.117 5.727 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.959 -0.530 5.124 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -17.427 -1.049 4.382 1.00 1.95 H new ATOM 468 N LEU A 34 -20.707 -0.131 5.235 1.00 0.87 N ATOM 469 CA LEU A 34 -21.091 0.378 6.548 1.00 0.89 C ATOM 470 C LEU A 34 -20.114 1.473 7.020 1.00 0.84 C ATOM 471 O LEU A 34 -20.499 2.637 7.154 1.00 0.95 O ATOM 472 CB LEU A 34 -21.125 -0.747 7.575 1.00 1.01 C ATOM 473 CG LEU A 34 -21.724 -0.339 8.915 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.233 -0.206 8.815 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.341 -1.325 10.003 1.00 1.47 C ATOM 0 H LEU A 34 -20.191 -1.010 5.269 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.088 0.808 6.456 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.700 -1.579 7.169 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.110 -1.109 7.737 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.315 0.635 9.183 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.638 0.086 9.784 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.483 0.553 8.074 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.663 -1.162 8.515 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.781 -1.011 10.950 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.711 -2.317 9.742 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.256 -1.356 10.100 1.00 1.47 H new ATOM 487 N LYS A 35 -18.846 1.097 7.279 1.00 0.76 N ATOM 488 CA LYS A 35 -17.794 2.083 7.585 1.00 0.76 C ATOM 489 C LYS A 35 -16.583 2.023 6.649 1.00 0.65 C ATOM 490 O LYS A 35 -16.006 0.965 6.430 1.00 0.75 O ATOM 491 CB LYS A 35 -17.351 1.962 9.051 1.00 0.90 C ATOM 492 CG LYS A 35 -17.271 0.527 9.576 1.00 0.92 C ATOM 493 CD LYS A 35 -16.166 -0.290 8.908 1.00 0.90 C ATOM 494 CE LYS A 35 -14.776 0.208 9.274 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.512 0.147 10.738 1.00 1.40 N ATOM 0 H LYS A 35 -18.529 0.128 7.282 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.247 3.060 7.417 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.373 2.430 9.161 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.046 2.525 9.674 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.100 0.548 10.652 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.229 0.033 9.415 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.263 -1.336 9.200 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -16.291 -0.249 7.826 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.030 -0.389 8.749 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.660 1.236 8.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.494 0.267 10.912 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.037 0.906 11.217 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -14.821 -0.774 11.108 1.00 1.40 H new ATOM 509 N PRO A 36 -16.187 3.204 6.111 1.00 0.65 N ATOM 510 CA PRO A 36 -15.170 3.335 5.059 1.00 0.56 C ATOM 511 C PRO A 36 -14.060 2.308 5.171 1.00 0.45 C ATOM 512 O PRO A 36 -13.498 2.112 6.252 1.00 0.47 O ATOM 513 CB PRO A 36 -14.641 4.741 5.304 1.00 0.61 C ATOM 514 CG PRO A 36 -15.850 5.499 5.727 1.00 0.88 C ATOM 515 CD PRO A 36 -16.685 4.529 6.527 1.00 0.88 C ATOM 0 HA PRO A 36 -15.576 3.170 4.061 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.871 4.751 6.075 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.196 5.165 4.404 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.577 6.367 6.327 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.401 5.869 4.863 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.560 4.684 7.599 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.747 4.643 6.310 1.00 0.88 H new ATOM 523 N PRO A 37 -13.733 1.646 4.049 1.00 0.40 N ATOM 524 CA PRO A 37 -12.843 0.496 4.052 1.00 0.35 C ATOM 525 C PRO A 37 -11.578 0.746 4.818 1.00 0.32 C ATOM 526 O PRO A 37 -10.907 1.769 4.652 1.00 0.36 O ATOM 527 CB PRO A 37 -12.500 0.264 2.597 1.00 0.40 C ATOM 528 CG PRO A 37 -13.599 0.923 1.818 1.00 0.53 C ATOM 529 CD PRO A 37 -14.174 2.004 2.691 1.00 0.47 C ATOM 0 HA PRO A 37 -13.328 -0.355 4.531 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.530 0.695 2.349 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.443 -0.801 2.372 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.214 1.343 0.889 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.367 0.198 1.547 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.807 2.988 2.400 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.261 2.036 2.621 1.00 0.47 H new ATOM 537 N VAL A 38 -11.250 -0.207 5.634 1.00 0.29 N ATOM 538 CA VAL A 38 -10.053 -0.145 6.400 1.00 0.27 C ATOM 539 C VAL A 38 -9.041 -0.957 5.680 1.00 0.22 C ATOM 540 O VAL A 38 -9.059 -2.183 5.683 1.00 0.20 O ATOM 541 CB VAL A 38 -10.184 -0.714 7.803 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.123 -0.128 8.723 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.583 -0.514 8.358 1.00 0.77 C ATOM 0 H VAL A 38 -11.807 -1.048 5.785 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.785 0.906 6.509 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.017 -1.790 7.746 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.235 -0.549 9.722 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.133 -0.369 8.337 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.240 0.955 8.770 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.639 -0.933 9.363 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.810 0.551 8.396 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.305 -1.016 7.714 1.00 0.77 H new ATOM 553 N VAL A 39 -8.194 -0.250 5.053 1.00 0.22 N ATOM 554 CA VAL A 39 -7.094 -0.811 4.358 1.00 0.21 C ATOM 555 C VAL A 39 -5.869 -0.552 5.172 1.00 0.20 C ATOM 556 O VAL A 39 -5.446 0.589 5.357 1.00 0.23 O ATOM 557 CB VAL A 39 -6.870 -0.170 2.989 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.055 -1.087 2.088 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.190 0.237 2.346 1.00 0.24 C ATOM 0 H VAL A 39 -8.240 0.768 5.002 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.298 -1.871 4.208 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.292 0.743 3.132 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.909 -0.609 1.119 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.086 -1.281 2.547 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.586 -2.029 1.951 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.997 0.690 1.374 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.819 -0.644 2.218 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.700 0.957 2.986 1.00 0.24 H new ATOM 569 N LYS A 40 -5.315 -1.598 5.651 1.00 0.19 N ATOM 570 CA LYS A 40 -4.091 -1.529 6.339 1.00 0.20 C ATOM 571 C LYS A 40 -3.002 -1.979 5.435 1.00 0.19 C ATOM 572 O LYS A 40 -3.068 -3.003 4.753 1.00 0.21 O ATOM 573 CB LYS A 40 -4.100 -2.312 7.640 1.00 0.26 C ATOM 574 CG LYS A 40 -4.321 -3.805 7.495 1.00 0.31 C ATOM 575 CD LYS A 40 -3.014 -4.581 7.259 1.00 0.37 C ATOM 576 CE LYS A 40 -2.074 -4.583 8.472 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.434 -3.256 8.727 1.00 1.54 N ATOM 0 H LYS A 40 -5.705 -2.537 5.574 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.920 -0.492 6.627 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.150 -2.150 8.149 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.880 -1.906 8.284 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.806 -4.185 8.394 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.002 -3.988 6.664 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.255 -5.611 6.995 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.492 -4.147 6.406 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.635 -4.884 9.357 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.296 -5.330 8.318 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -0.532 -3.396 9.225 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -1.259 -2.775 7.822 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -2.066 -2.673 9.312 1.00 1.54 H new ATOM 591 N TRP A 41 -2.049 -1.143 5.392 1.00 0.18 N ATOM 592 CA TRP A 41 -0.850 -1.390 4.658 1.00 0.19 C ATOM 593 C TRP A 41 0.125 -2.185 5.478 1.00 0.21 C ATOM 594 O TRP A 41 0.108 -2.164 6.708 1.00 0.28 O ATOM 595 CB TRP A 41 -0.224 -0.082 4.236 1.00 0.21 C ATOM 596 CG TRP A 41 -0.946 0.569 3.119 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.103 1.284 3.196 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.566 0.546 1.746 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.436 1.752 1.944 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.517 1.295 1.042 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.498 -0.025 1.041 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.443 1.480 -0.329 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.559 0.161 -0.325 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.409 0.909 -0.994 1.00 0.33 C ATOM 0 H TRP A 41 -2.066 -0.243 5.872 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.104 -1.969 3.770 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.199 0.595 5.090 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.810 -0.259 3.940 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.671 1.457 4.098 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.238 2.343 1.726 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.255 -0.599 1.554 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.187 2.062 -0.852 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.370 -0.280 -0.885 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.333 1.036 -2.064 1.00 0.33 H new ATOM 615 N PHE A 42 0.943 -2.895 4.767 1.00 0.21 N ATOM 616 CA PHE A 42 2.053 -3.598 5.325 1.00 0.23 C ATOM 617 C PHE A 42 3.254 -3.061 4.602 1.00 0.26 C ATOM 618 O PHE A 42 3.201 -2.833 3.402 1.00 0.34 O ATOM 619 CB PHE A 42 1.914 -5.109 5.115 1.00 0.26 C ATOM 620 CG PHE A 42 2.736 -5.928 6.068 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.228 -6.307 7.298 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.018 -6.320 5.727 1.00 0.37 C ATOM 623 CE1 PHE A 42 2.983 -7.066 8.171 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.777 -7.078 6.595 1.00 0.50 C ATOM 625 CZ PHE A 42 4.249 -7.435 7.842 1.00 0.60 C ATOM 0 H PHE A 42 0.854 -3.004 3.757 1.00 0.21 H new ATOM 0 HA PHE A 42 2.126 -3.453 6.403 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.865 -5.387 5.222 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.206 -5.354 4.094 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.230 -6.006 7.579 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.429 -6.030 4.771 1.00 0.37 H new ATOM 0 HE1 PHE A 42 2.565 -7.368 9.120 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.771 -7.394 6.315 1.00 0.50 H new ATOM 0 HZ PHE A 42 4.846 -8.002 8.541 1.00 0.60 H new ATOM 635 N LYS A 43 4.288 -2.782 5.322 1.00 0.28 N ATOM 636 CA LYS A 43 5.459 -2.174 4.759 1.00 0.31 C ATOM 637 C LYS A 43 6.494 -3.272 4.618 1.00 0.39 C ATOM 638 O LYS A 43 6.301 -4.296 5.226 1.00 0.81 O ATOM 639 CB LYS A 43 5.938 -1.012 5.666 1.00 0.40 C ATOM 640 CG LYS A 43 7.342 -0.495 5.380 1.00 0.54 C ATOM 641 CD LYS A 43 7.713 0.665 6.278 1.00 0.67 C ATOM 642 CE LYS A 43 9.171 1.013 6.086 1.00 1.29 C ATOM 643 NZ LYS A 43 9.643 2.073 7.020 1.00 2.17 N ATOM 0 H LYS A 43 4.351 -2.968 6.323 1.00 0.28 H new ATOM 0 HA LYS A 43 5.265 -1.733 3.781 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.237 -0.183 5.566 1.00 0.40 H new ATOM 0 HB3 LYS A 43 5.895 -1.343 6.704 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.061 -1.303 5.516 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.408 -0.182 4.338 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.090 1.529 6.048 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.526 0.405 7.320 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.775 0.117 6.227 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.328 1.344 5.060 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.509 2.508 6.643 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.906 2.800 7.121 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.844 1.652 7.950 1.00 2.17 H new ATOM 657 N GLY A 44 7.561 -2.987 3.859 1.00 0.64 N ATOM 658 CA GLY A 44 8.762 -3.829 3.665 1.00 0.92 C ATOM 659 C GLY A 44 8.939 -5.077 4.534 1.00 0.39 C ATOM 660 O GLY A 44 8.007 -5.754 4.857 1.00 1.23 O ATOM 0 H GLY A 44 7.618 -2.115 3.332 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.776 -4.148 2.623 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.636 -3.196 3.816 1.00 0.92 H new ATOM 664 N LYS A 45 10.160 -5.564 4.579 1.00 0.85 N ATOM 665 CA LYS A 45 10.477 -6.917 5.048 1.00 1.06 C ATOM 666 C LYS A 45 9.657 -7.431 6.269 1.00 0.74 C ATOM 667 O LYS A 45 9.592 -8.643 6.466 1.00 0.82 O ATOM 668 CB LYS A 45 11.962 -6.909 5.422 1.00 1.67 C ATOM 669 CG LYS A 45 12.384 -5.671 6.200 1.00 2.44 C ATOM 670 CD LYS A 45 13.885 -5.653 6.426 1.00 2.82 C ATOM 671 CE LYS A 45 14.331 -4.407 7.169 1.00 2.98 C ATOM 672 NZ LYS A 45 15.798 -4.404 7.404 1.00 3.87 N ATOM 0 H LYS A 45 10.980 -5.032 4.289 1.00 0.85 H new ATOM 0 HA LYS A 45 10.217 -7.600 4.239 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.184 -7.795 6.016 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.558 -6.978 4.512 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.084 -4.776 5.655 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.868 -5.648 7.160 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.177 -6.537 6.992 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.397 -5.706 5.465 1.00 2.82 H new ATOM 0 HE2 LYS A 45 14.052 -3.522 6.597 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.809 -4.346 8.124 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 16.081 -3.495 7.822 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 16.047 -5.176 8.054 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.295 -4.539 6.500 1.00 3.87 H new ATOM 686 N TRP A 46 9.038 -6.558 7.079 1.00 0.58 N ATOM 687 CA TRP A 46 8.159 -7.021 8.171 1.00 0.57 C ATOM 688 C TRP A 46 7.312 -5.908 8.780 1.00 0.63 C ATOM 689 O TRP A 46 6.604 -6.115 9.767 1.00 0.74 O ATOM 690 CB TRP A 46 9.005 -7.555 9.291 1.00 0.76 C ATOM 691 CG TRP A 46 10.214 -6.719 9.509 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.405 -6.860 8.886 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.337 -5.596 10.380 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.258 -5.866 9.266 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.634 -5.083 10.210 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.472 -4.972 11.284 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.085 -3.965 10.907 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.920 -3.867 11.975 1.00 2.10 C ATOM 699 CH2 TRP A 46 11.212 -3.373 11.786 1.00 2.11 C ATOM 0 H TRP A 46 9.125 -5.545 7.004 1.00 0.58 H new ATOM 0 HA TRP A 46 7.502 -7.770 7.729 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.416 -7.590 10.208 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.305 -8.578 9.065 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.647 -7.647 8.187 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.203 -5.726 8.909 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.472 -5.349 11.438 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.083 -3.578 10.762 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 9.260 -3.375 12.675 1.00 2.10 H new ATOM 0 HH2 TRP A 46 11.532 -2.505 12.344 1.00 2.11 H new ATOM 710 N VAL A 47 7.400 -4.751 8.201 1.00 0.63 N ATOM 711 CA VAL A 47 6.986 -3.549 8.810 1.00 0.74 C ATOM 712 C VAL A 47 5.557 -3.204 8.470 1.00 0.59 C ATOM 713 O VAL A 47 4.896 -3.822 7.643 1.00 0.57 O ATOM 714 CB VAL A 47 7.910 -2.378 8.411 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.489 -1.738 9.648 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.043 -2.826 7.493 1.00 1.29 C ATOM 0 H VAL A 47 7.776 -4.625 7.261 1.00 0.63 H new ATOM 0 HA VAL A 47 7.051 -3.707 9.887 1.00 0.74 H new ATOM 0 HB VAL A 47 7.303 -1.657 7.863 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.140 -0.913 9.360 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.681 -1.361 10.275 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.065 -2.477 10.204 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.666 -1.969 7.239 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.648 -3.577 8.001 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.625 -3.253 6.581 1.00 1.29 H new ATOM 726 N ASP A 48 5.109 -2.225 9.175 1.00 0.60 N ATOM 727 CA ASP A 48 3.818 -1.619 8.998 1.00 0.56 C ATOM 728 C ASP A 48 4.060 -0.212 8.510 1.00 0.58 C ATOM 729 O ASP A 48 5.123 0.340 8.753 1.00 0.96 O ATOM 730 CB ASP A 48 3.050 -1.601 10.319 1.00 0.73 C ATOM 731 CG ASP A 48 1.648 -1.047 10.178 1.00 1.88 C ATOM 732 OD1 ASP A 48 0.753 -1.795 9.731 1.00 2.73 O ATOM 733 OD2 ASP A 48 1.434 0.136 10.519 1.00 2.22 O ATOM 0 H ASP A 48 5.650 -1.799 9.927 1.00 0.60 H new ATOM 0 HA ASP A 48 3.219 -2.182 8.282 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.996 -2.615 10.716 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.600 -1.003 11.045 1.00 0.73 H new ATOM 738 N LEU A 49 3.124 0.353 7.807 1.00 0.39 N ATOM 739 CA LEU A 49 3.250 1.736 7.385 1.00 0.35 C ATOM 740 C LEU A 49 2.643 2.685 8.376 1.00 0.41 C ATOM 741 O LEU A 49 3.247 3.705 8.665 1.00 0.44 O ATOM 742 CB LEU A 49 2.612 2.009 6.017 1.00 0.29 C ATOM 743 CG LEU A 49 3.343 1.483 4.782 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.995 0.051 4.499 1.00 0.36 C ATOM 745 CD2 LEU A 49 2.980 2.302 3.575 1.00 0.28 C ATOM 0 H LEU A 49 2.265 -0.110 7.510 1.00 0.39 H new ATOM 0 HA LEU A 49 4.325 1.905 7.315 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.609 1.582 6.022 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.499 3.088 5.907 1.00 0.29 H new ATOM 0 HG LEU A 49 4.411 1.556 4.988 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.534 -0.286 3.614 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.275 -0.567 5.352 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.922 -0.035 4.325 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.507 1.917 2.702 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.905 2.243 3.405 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.264 3.341 3.741 1.00 0.28 H new ATOM 757 N SER A 50 1.507 2.329 8.943 1.00 0.48 N ATOM 758 CA SER A 50 0.699 3.268 9.701 1.00 0.58 C ATOM 759 C SER A 50 1.519 3.793 10.860 1.00 0.62 C ATOM 760 O SER A 50 1.247 4.863 11.413 1.00 0.70 O ATOM 761 CB SER A 50 -0.587 2.590 10.191 1.00 0.73 C ATOM 762 OG SER A 50 -1.462 3.515 10.816 1.00 1.23 O ATOM 0 H SER A 50 1.119 1.387 8.893 1.00 0.48 H new ATOM 0 HA SER A 50 0.406 4.104 9.066 1.00 0.58 H new ATOM 0 HB2 SER A 50 -1.095 2.121 9.348 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.335 1.796 10.894 1.00 0.73 H new ATOM 0 HG SER A 50 -2.271 3.050 11.114 1.00 1.23 H new ATOM 768 N SER A 51 2.555 3.041 11.198 1.00 0.64 N ATOM 769 CA SER A 51 3.392 3.399 12.295 1.00 0.75 C ATOM 770 C SER A 51 4.500 4.352 11.863 1.00 0.72 C ATOM 771 O SER A 51 4.975 5.178 12.642 1.00 0.85 O ATOM 772 CB SER A 51 3.986 2.150 12.934 1.00 0.90 C ATOM 773 OG SER A 51 4.327 2.386 14.287 1.00 1.34 O ATOM 0 H SER A 51 2.823 2.182 10.718 1.00 0.64 H new ATOM 0 HA SER A 51 2.777 3.917 13.031 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.270 1.330 12.873 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.872 1.840 12.380 1.00 0.90 H new ATOM 0 HG SER A 51 4.705 1.570 14.676 1.00 1.34 H new ATOM 779 N LYS A 52 4.888 4.237 10.613 1.00 0.62 N ATOM 780 CA LYS A 52 6.035 4.946 10.090 1.00 0.66 C ATOM 781 C LYS A 52 5.615 6.184 9.313 1.00 0.67 C ATOM 782 O LYS A 52 5.988 7.298 9.672 1.00 1.09 O ATOM 783 CB LYS A 52 6.834 4.006 9.190 1.00 0.65 C ATOM 784 CG LYS A 52 6.685 2.535 9.535 1.00 0.70 C ATOM 785 CD LYS A 52 7.055 2.217 10.981 1.00 0.78 C ATOM 786 CE LYS A 52 8.546 2.377 11.235 1.00 1.02 C ATOM 787 NZ LYS A 52 8.865 2.397 12.690 1.00 1.40 N ATOM 0 H LYS A 52 4.416 3.647 9.928 1.00 0.62 H new ATOM 0 HA LYS A 52 6.653 5.276 10.925 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.522 4.158 8.157 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.889 4.276 9.247 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.655 2.229 9.354 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.314 1.946 8.868 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.500 2.875 11.650 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.754 1.196 11.216 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.085 1.559 10.757 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.895 3.301 10.775 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.891 2.508 12.819 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.371 3.193 13.143 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.556 1.505 13.126 1.00 1.40 H new ATOM 801 N VAL A 53 4.880 5.917 8.236 1.00 0.34 N ATOM 802 CA VAL A 53 4.257 6.890 7.343 1.00 0.32 C ATOM 803 C VAL A 53 4.598 8.329 7.673 1.00 0.33 C ATOM 804 O VAL A 53 3.978 8.985 8.515 1.00 0.37 O ATOM 805 CB VAL A 53 2.735 6.653 7.303 1.00 0.32 C ATOM 806 CG1 VAL A 53 1.971 7.780 6.630 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.453 5.371 6.569 1.00 0.35 C ATOM 0 H VAL A 53 4.692 4.957 7.946 1.00 0.34 H new ATOM 0 HA VAL A 53 4.673 6.730 6.348 1.00 0.32 H new ATOM 0 HB VAL A 53 2.395 6.603 8.338 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.905 7.551 6.635 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.145 8.711 7.170 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.314 7.888 5.601 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.377 5.199 6.538 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.839 5.442 5.552 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.938 4.542 7.084 1.00 0.35 H new ATOM 817 N GLY A 54 5.626 8.779 6.998 1.00 0.35 N ATOM 818 CA GLY A 54 6.133 10.114 7.208 1.00 0.41 C ATOM 819 C GLY A 54 7.070 10.574 6.106 1.00 0.44 C ATOM 820 O GLY A 54 6.724 10.537 4.930 1.00 0.70 O ATOM 0 H GLY A 54 6.131 8.239 6.295 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.295 10.808 7.278 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.658 10.151 8.162 1.00 0.41 H new ATOM 824 N GLN A 55 8.278 10.964 6.496 1.00 0.36 N ATOM 825 CA GLN A 55 9.226 11.623 5.597 1.00 0.43 C ATOM 826 C GLN A 55 9.757 10.664 4.526 1.00 0.39 C ATOM 827 O GLN A 55 9.935 11.043 3.373 1.00 0.50 O ATOM 828 CB GLN A 55 10.407 12.207 6.396 1.00 0.61 C ATOM 829 CG GLN A 55 10.042 13.324 7.382 1.00 1.43 C ATOM 830 CD GLN A 55 9.162 12.860 8.536 1.00 2.08 C ATOM 831 OE1 GLN A 55 9.660 12.356 9.542 1.00 2.75 O ATOM 832 NE2 GLN A 55 7.856 13.054 8.415 1.00 2.69 N ATOM 0 H GLN A 55 8.631 10.834 7.444 1.00 0.36 H new ATOM 0 HA GLN A 55 8.689 12.428 5.096 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.885 11.399 6.949 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.145 12.592 5.693 1.00 0.61 H new ATOM 0 HG2 GLN A 55 10.959 13.754 7.786 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.528 14.119 6.842 1.00 1.43 H new ATOM 0 HE21 GLN A 55 7.479 13.475 7.566 1.00 2.69 H new ATOM 0 HE22 GLN A 55 7.228 12.782 9.171 1.00 2.69 H new ATOM 841 N HIS A 56 9.998 9.421 4.916 1.00 0.36 N ATOM 842 CA HIS A 56 10.576 8.423 4.014 1.00 0.41 C ATOM 843 C HIS A 56 9.497 7.693 3.226 1.00 0.35 C ATOM 844 O HIS A 56 9.659 7.374 2.047 1.00 0.42 O ATOM 845 CB HIS A 56 11.385 7.422 4.849 1.00 0.54 C ATOM 846 CG HIS A 56 11.660 6.131 4.150 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.784 5.070 4.198 1.00 0.87 N ATOM 848 CD2 HIS A 56 12.666 5.756 3.333 1.00 1.06 C ATOM 849 CE1 HIS A 56 11.227 4.103 3.429 1.00 1.11 C ATOM 850 NE2 HIS A 56 12.375 4.487 2.888 1.00 1.33 N ATOM 0 H HIS A 56 9.803 9.074 5.855 1.00 0.36 H new ATOM 0 HA HIS A 56 11.221 8.927 3.294 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.333 7.881 5.129 1.00 0.54 H new ATOM 0 HB3 HIS A 56 10.845 7.215 5.773 1.00 0.54 H new ATOM 0 HD2 HIS A 56 13.536 6.342 3.076 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.738 3.154 3.265 1.00 1.11 H new ATOM 0 HE2 HIS A 56 12.947 3.934 2.249 1.00 1.33 H new ATOM 859 N LEU A 57 8.420 7.429 3.906 1.00 0.28 N ATOM 860 CA LEU A 57 7.299 6.706 3.361 1.00 0.25 C ATOM 861 C LEU A 57 6.067 7.516 3.668 1.00 0.23 C ATOM 862 O LEU A 57 5.612 7.532 4.795 1.00 0.29 O ATOM 863 CB LEU A 57 7.273 5.324 4.074 1.00 0.38 C ATOM 864 CG LEU A 57 6.064 4.364 3.978 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.595 4.014 5.374 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.904 4.903 3.157 1.00 1.10 C ATOM 0 H LEU A 57 8.290 7.715 4.876 1.00 0.28 H new ATOM 0 HA LEU A 57 7.358 6.550 2.284 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.140 4.771 3.714 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.435 5.517 5.134 1.00 0.38 H new ATOM 0 HG LEU A 57 6.411 3.477 3.448 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.743 3.337 5.313 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.405 3.529 5.919 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.299 4.923 5.897 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.098 4.169 3.140 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.542 5.829 3.603 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.239 5.098 2.138 1.00 1.10 H new ATOM 878 N GLN A 58 5.533 8.169 2.675 1.00 0.20 N ATOM 879 CA GLN A 58 4.255 8.751 2.795 1.00 0.21 C ATOM 880 C GLN A 58 3.267 7.755 2.268 1.00 0.18 C ATOM 881 O GLN A 58 3.255 7.415 1.093 1.00 0.19 O ATOM 882 CB GLN A 58 4.171 10.047 1.988 1.00 0.27 C ATOM 883 CG GLN A 58 5.254 11.062 2.320 1.00 0.46 C ATOM 884 CD GLN A 58 6.512 10.925 1.480 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.620 11.510 0.406 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.481 10.183 1.980 1.00 0.28 N ATOM 0 H GLN A 58 5.981 8.305 1.769 1.00 0.20 H new ATOM 0 HA GLN A 58 4.047 8.999 3.836 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.229 9.805 0.927 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.196 10.504 2.158 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.849 12.065 2.188 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.520 10.962 3.372 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.353 9.713 2.876 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.359 10.080 1.471 1.00 0.28 H new ATOM 895 N LEU A 59 2.455 7.300 3.152 1.00 0.20 N ATOM 896 CA LEU A 59 1.316 6.509 2.795 1.00 0.20 C ATOM 897 C LEU A 59 0.176 7.497 2.778 1.00 0.21 C ATOM 898 O LEU A 59 -0.426 7.817 3.802 1.00 0.23 O ATOM 899 CB LEU A 59 1.100 5.362 3.813 1.00 0.23 C ATOM 900 CG LEU A 59 0.132 4.232 3.449 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.182 3.465 4.715 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.128 4.758 2.790 1.00 0.23 C ATOM 0 H LEU A 59 2.556 7.463 4.154 1.00 0.20 H new ATOM 0 HA LEU A 59 1.423 6.008 1.833 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.072 4.913 4.017 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.753 5.808 4.745 1.00 0.23 H new ATOM 0 HG LEU A 59 0.597 3.571 2.717 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.871 2.652 4.486 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.739 3.055 5.130 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.640 4.135 5.442 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.787 3.924 2.548 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.638 5.438 3.472 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.865 5.290 1.876 1.00 0.23 H new ATOM 914 N HIS A 60 -0.050 8.024 1.606 1.00 0.22 N ATOM 915 CA HIS A 60 -0.978 9.063 1.395 1.00 0.25 C ATOM 916 C HIS A 60 -2.241 8.491 0.852 1.00 0.24 C ATOM 917 O HIS A 60 -2.305 7.371 0.357 1.00 0.26 O ATOM 918 CB HIS A 60 -0.396 10.128 0.461 1.00 0.37 C ATOM 919 CG HIS A 60 -1.180 11.406 0.378 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.450 12.047 -0.811 1.00 1.48 N ATOM 921 CD2 HIS A 60 -1.726 12.177 1.349 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.126 13.154 -0.566 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.306 13.256 0.737 1.00 2.03 N ATOM 0 H HIS A 60 0.428 7.723 0.757 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.197 9.553 2.344 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.616 10.363 0.790 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.315 9.705 -0.540 1.00 0.37 H new ATOM 0 HD1 HIS A 60 -1.171 11.718 -1.735 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -1.707 11.977 2.410 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -2.473 13.858 -1.308 1.00 1.91 H new ATOM 932 N ASP A 61 -3.217 9.281 0.993 1.00 0.29 N ATOM 933 CA ASP A 61 -4.562 8.944 0.695 1.00 0.32 C ATOM 934 C ASP A 61 -5.179 9.965 -0.213 1.00 0.35 C ATOM 935 O ASP A 61 -5.238 11.164 0.061 1.00 0.48 O ATOM 936 CB ASP A 61 -5.392 8.809 1.953 1.00 0.44 C ATOM 937 CG ASP A 61 -5.436 10.067 2.805 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.379 10.481 3.331 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.537 10.638 2.965 1.00 0.92 O ATOM 0 H ASP A 61 -3.108 10.235 1.337 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.548 7.979 0.188 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.410 8.535 1.676 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.993 7.991 2.553 1.00 0.44 H new ATOM 944 N SER A 62 -5.565 9.448 -1.317 1.00 0.29 N ATOM 945 CA SER A 62 -6.410 10.139 -2.256 1.00 0.32 C ATOM 946 C SER A 62 -7.815 9.670 -2.001 1.00 0.32 C ATOM 947 O SER A 62 -8.031 8.515 -1.630 1.00 0.41 O ATOM 948 CB SER A 62 -6.018 9.864 -3.701 1.00 0.40 C ATOM 949 OG SER A 62 -4.610 9.770 -3.839 1.00 0.47 O ATOM 0 H SER A 62 -5.304 8.508 -1.615 1.00 0.29 H new ATOM 0 HA SER A 62 -6.310 11.215 -2.115 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.482 8.937 -4.037 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.397 10.660 -4.342 1.00 0.40 H new ATOM 0 HG SER A 62 -4.300 8.922 -3.458 1.00 0.47 H new ATOM 955 N TYR A 63 -8.757 10.545 -2.188 1.00 0.38 N ATOM 956 CA TYR A 63 -10.093 10.286 -1.738 1.00 0.45 C ATOM 957 C TYR A 63 -11.109 10.877 -2.671 1.00 0.47 C ATOM 958 O TYR A 63 -11.432 12.065 -2.628 1.00 0.54 O ATOM 959 CB TYR A 63 -10.223 10.791 -0.310 1.00 0.64 C ATOM 960 CG TYR A 63 -11.620 10.910 0.253 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.429 9.798 0.413 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.114 12.144 0.657 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.694 9.907 0.955 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.376 12.261 1.205 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.163 11.140 1.352 1.00 1.07 C ATOM 966 OH TYR A 63 -15.419 11.250 1.901 1.00 1.39 O ATOM 0 H TYR A 63 -8.626 11.445 -2.649 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.293 9.215 -1.742 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.653 10.125 0.338 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.751 11.772 -0.254 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.064 8.828 0.108 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.501 13.026 0.541 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.313 9.029 1.067 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.744 13.227 1.517 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.596 12.187 2.128 1.00 1.39 H new ATOM 976 N ASP A 64 -11.573 10.020 -3.535 1.00 0.47 N ATOM 977 CA ASP A 64 -12.611 10.339 -4.455 1.00 0.57 C ATOM 978 C ASP A 64 -13.815 9.493 -4.150 1.00 0.57 C ATOM 979 O ASP A 64 -13.874 8.316 -4.500 1.00 0.63 O ATOM 980 CB ASP A 64 -12.152 10.060 -5.847 1.00 0.71 C ATOM 981 CG ASP A 64 -10.942 10.876 -6.253 1.00 1.53 C ATOM 982 OD1 ASP A 64 -11.119 11.994 -6.774 1.00 2.00 O ATOM 983 OD2 ASP A 64 -9.801 10.402 -6.057 1.00 2.42 O ATOM 0 H ASP A 64 -11.229 9.063 -3.616 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.867 11.395 -4.364 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.914 9.000 -5.938 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.969 10.264 -6.539 1.00 0.71 H new ATOM 988 N ARG A 65 -14.757 10.090 -3.490 1.00 0.60 N ATOM 989 CA ARG A 65 -15.931 9.387 -3.018 1.00 0.64 C ATOM 990 C ARG A 65 -16.869 9.046 -4.166 1.00 0.74 C ATOM 991 O ARG A 65 -17.370 7.927 -4.267 1.00 0.88 O ATOM 992 CB ARG A 65 -16.653 10.224 -1.967 1.00 0.74 C ATOM 993 CG ARG A 65 -16.860 9.465 -0.682 1.00 0.86 C ATOM 994 CD ARG A 65 -17.661 8.205 -0.938 1.00 1.00 C ATOM 995 NE ARG A 65 -19.100 8.454 -0.910 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.937 7.908 -0.027 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.471 7.118 0.932 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.238 8.153 -0.097 1.00 2.07 N ATOM 0 H ARG A 65 -14.743 11.083 -3.257 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.608 8.450 -2.565 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.077 11.127 -1.765 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.619 10.543 -2.359 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.895 9.208 -0.244 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.380 10.094 0.040 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.384 7.790 -1.907 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.408 7.456 -0.187 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.489 9.085 -1.610 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.471 6.927 0.995 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.113 6.701 1.606 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.604 8.762 -0.829 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.873 7.733 0.581 1.00 2.07 H new ATOM 1012 N ALA A 66 -17.076 10.019 -5.025 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.938 9.873 -6.191 1.00 0.93 C ATOM 1014 C ALA A 66 -17.273 9.025 -7.260 1.00 0.83 C ATOM 1015 O ALA A 66 -17.938 8.470 -8.131 1.00 0.92 O ATOM 1016 CB ALA A 66 -18.303 11.237 -6.748 1.00 1.15 C ATOM 0 H ALA A 66 -16.651 10.942 -4.939 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.850 9.364 -5.878 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.947 11.114 -7.619 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.829 11.812 -5.986 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -17.396 11.766 -7.040 1.00 1.15 H new ATOM 1022 N SER A 67 -15.959 8.906 -7.172 1.00 0.72 N ATOM 1023 CA SER A 67 -15.213 8.060 -8.078 1.00 0.72 C ATOM 1024 C SER A 67 -15.082 6.710 -7.427 1.00 0.58 C ATOM 1025 O SER A 67 -14.696 5.727 -8.054 1.00 0.63 O ATOM 1026 CB SER A 67 -13.840 8.650 -8.384 1.00 0.83 C ATOM 1027 OG SER A 67 -13.967 9.931 -8.967 1.00 1.41 O ATOM 0 H SER A 67 -15.388 9.388 -6.478 1.00 0.72 H new ATOM 0 HA SER A 67 -15.736 7.978 -9.031 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.255 8.719 -7.467 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.297 7.989 -9.060 1.00 0.83 H new ATOM 0 HG SER A 67 -13.077 10.295 -9.155 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.408 6.702 -6.135 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.508 5.487 -5.361 1.00 0.50 C ATOM 1035 C LYS A 68 -14.131 4.874 -5.150 1.00 0.44 C ATOM 1036 O LYS A 68 -14.000 3.671 -4.964 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.423 4.506 -6.085 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.935 3.380 -5.217 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.274 3.717 -4.579 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.152 4.781 -3.499 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.488 5.168 -2.972 1.00 3.31 N ATOM 0 H LYS A 68 -15.609 7.548 -5.602 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.928 5.717 -4.382 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.274 5.053 -6.491 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.884 4.081 -6.932 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.037 2.476 -5.818 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.206 3.163 -4.436 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.963 4.063 -5.349 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.705 2.814 -4.148 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.531 4.407 -2.685 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.650 5.659 -3.905 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -19.464 6.160 -2.660 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.202 5.057 -3.720 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.733 4.558 -2.166 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.105 5.702 -5.154 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.763 5.209 -4.998 1.00 0.31 C ATOM 1057 C VAL A 69 -11.025 6.007 -3.959 1.00 0.29 C ATOM 1058 O VAL A 69 -10.959 7.237 -4.010 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.930 5.276 -6.286 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.674 4.431 -6.150 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.739 4.853 -7.501 1.00 0.43 C ATOM 0 H VAL A 69 -13.180 6.713 -5.263 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.877 4.165 -4.706 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.636 6.314 -6.438 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.095 4.489 -7.071 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.074 4.803 -5.320 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.952 3.394 -5.961 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.115 4.914 -8.393 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.084 3.828 -7.369 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.599 5.514 -7.614 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.487 5.296 -3.021 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.500 5.837 -2.142 1.00 0.25 C ATOM 1073 C TYR A 70 -8.167 5.349 -2.628 1.00 0.22 C ATOM 1074 O TYR A 70 -7.857 4.161 -2.543 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.670 5.394 -0.705 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.091 5.432 -0.202 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.853 6.587 -0.298 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.674 4.313 0.366 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.154 6.624 0.162 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.974 4.345 0.829 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.712 5.501 0.723 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.014 5.533 1.181 1.00 0.93 O ATOM 0 H TYR A 70 -10.721 4.319 -2.842 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.593 6.923 -2.153 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.290 4.378 -0.604 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.055 6.029 -0.067 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.421 7.473 -0.740 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.103 3.400 0.448 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.731 7.533 0.081 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.411 3.463 1.274 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.254 4.656 1.547 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.406 6.240 -3.169 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.104 5.883 -3.649 1.00 0.19 C ATOM 1094 C LEU A 71 -5.103 6.120 -2.563 1.00 0.20 C ATOM 1095 O LEU A 71 -4.702 7.240 -2.282 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.668 6.656 -4.894 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.168 6.506 -5.198 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.837 5.077 -5.600 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.705 7.483 -6.262 1.00 0.52 C ATOM 0 H LEU A 71 -7.658 7.221 -3.292 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.157 4.832 -3.933 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.244 6.308 -5.752 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.902 7.712 -4.760 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.628 6.742 -4.281 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.771 4.996 -5.810 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.099 4.400 -4.787 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.404 4.809 -6.492 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.640 7.343 -6.446 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.259 7.306 -7.184 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.883 8.503 -5.922 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.691 5.054 -1.987 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.616 5.075 -1.068 1.00 0.21 C ATOM 1113 C PHE A 72 -2.348 5.009 -1.876 1.00 0.23 C ATOM 1114 O PHE A 72 -2.054 4.029 -2.558 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.732 3.913 -0.125 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.914 4.000 0.800 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.828 4.709 1.989 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.110 3.376 0.480 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.913 4.792 2.842 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.196 3.457 1.328 1.00 0.30 C ATOM 1121 CZ PHE A 72 -7.097 4.167 2.509 1.00 0.30 C ATOM 0 H PHE A 72 -5.095 4.130 -2.142 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.622 5.980 -0.461 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.802 2.992 -0.704 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.821 3.847 0.470 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.903 5.202 2.251 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.193 2.821 -0.443 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.834 5.345 3.767 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.122 2.966 1.069 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.947 4.233 3.172 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.636 6.078 -1.802 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.467 6.298 -2.610 1.00 0.26 C ATOM 1133 C GLU A 73 0.741 6.423 -1.741 1.00 0.20 C ATOM 1134 O GLU A 73 0.821 7.265 -0.845 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.611 7.540 -3.481 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.196 8.742 -2.753 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.914 10.055 -3.452 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.450 10.267 -4.562 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.146 10.869 -2.916 1.00 1.32 O ATOM 0 H GLU A 73 -1.847 6.847 -1.166 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.353 5.438 -3.270 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.368 7.809 -3.877 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.245 7.301 -4.335 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.274 8.612 -2.658 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.789 8.781 -1.743 1.00 0.59 H new ATOM 1146 N LEU A 74 1.674 5.577 -2.012 1.00 0.21 N ATOM 1147 CA LEU A 74 2.882 5.536 -1.268 1.00 0.21 C ATOM 1148 C LEU A 74 3.898 6.360 -1.957 1.00 0.20 C ATOM 1149 O LEU A 74 4.113 6.256 -3.166 1.00 0.25 O ATOM 1150 CB LEU A 74 3.448 4.136 -1.138 1.00 0.27 C ATOM 1151 CG LEU A 74 2.519 3.101 -0.527 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.311 2.116 0.285 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.418 3.739 0.314 1.00 0.96 C ATOM 0 H LEU A 74 1.618 4.889 -2.763 1.00 0.21 H new ATOM 0 HA LEU A 74 2.651 5.908 -0.270 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.744 3.791 -2.129 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.354 4.185 -0.534 1.00 0.27 H new ATOM 0 HG LEU A 74 2.025 2.575 -1.344 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.637 1.378 0.719 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.035 1.614 -0.357 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.837 2.641 1.083 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.780 2.959 0.730 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.866 4.312 1.126 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.820 4.402 -0.311 1.00 0.96 H new ATOM 1165 N HIS A 75 4.525 7.147 -1.175 1.00 0.18 N ATOM 1166 CA HIS A 75 5.698 7.820 -1.608 1.00 0.19 C ATOM 1167 C HIS A 75 6.764 7.252 -0.733 1.00 0.19 C ATOM 1168 O HIS A 75 6.935 7.674 0.407 1.00 0.19 O ATOM 1169 CB HIS A 75 5.627 9.340 -1.408 1.00 0.23 C ATOM 1170 CG HIS A 75 4.449 10.034 -2.031 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.542 11.281 -2.610 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.144 9.680 -2.122 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.351 11.662 -3.026 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.484 10.711 -2.743 1.00 0.94 N ATOM 0 H HIS A 75 4.246 7.348 -0.215 1.00 0.18 H new ATOM 0 HA HIS A 75 5.863 7.678 -2.676 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.619 9.545 -0.338 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.538 9.782 -1.811 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.705 8.758 -1.771 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.124 12.597 -3.517 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.486 10.737 -2.951 1.00 0.94 H new ATOM 1183 N ILE A 76 7.458 6.274 -1.239 1.00 0.21 N ATOM 1184 CA ILE A 76 8.456 5.623 -0.449 1.00 0.23 C ATOM 1185 C ILE A 76 9.753 5.682 -1.181 1.00 0.25 C ATOM 1186 O ILE A 76 10.030 4.935 -2.090 1.00 0.28 O ATOM 1187 CB ILE A 76 8.087 4.171 -0.155 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.726 4.093 0.541 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.165 3.489 0.692 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.432 2.728 1.098 1.00 0.52 C ATOM 0 H ILE A 76 7.351 5.914 -2.187 1.00 0.21 H new ATOM 0 HA ILE A 76 8.534 6.137 0.509 1.00 0.23 H new ATOM 0 HB ILE A 76 8.021 3.641 -1.105 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.694 4.824 1.349 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.945 4.367 -0.168 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.876 2.456 0.886 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.114 3.506 0.156 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.274 4.019 1.638 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.454 2.734 1.579 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.434 1.997 0.289 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.195 2.462 1.830 1.00 0.52 H new ATOM 1202 N THR A 77 10.542 6.581 -0.771 1.00 0.24 N ATOM 1203 CA THR A 77 11.725 6.865 -1.452 1.00 0.26 C ATOM 1204 C THR A 77 12.883 6.324 -0.707 1.00 0.36 C ATOM 1205 O THR A 77 12.773 5.882 0.436 1.00 0.58 O ATOM 1206 CB THR A 77 11.908 8.366 -1.647 1.00 0.32 C ATOM 1207 OG1 THR A 77 12.294 8.987 -0.417 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.615 8.958 -2.129 1.00 0.37 C ATOM 0 H THR A 77 10.382 7.150 0.060 1.00 0.24 H new ATOM 0 HA THR A 77 11.663 6.394 -2.433 1.00 0.26 H new ATOM 0 HB THR A 77 12.693 8.539 -2.383 1.00 0.32 H new ATOM 0 HG1 THR A 77 13.270 9.068 -0.384 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.737 10.032 -2.271 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.334 8.496 -3.076 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.834 8.776 -1.391 1.00 0.37 H new ATOM 1216 N ASP A 78 13.953 6.375 -1.412 1.00 0.30 N ATOM 1217 CA ASP A 78 15.267 5.996 -0.959 1.00 0.45 C ATOM 1218 C ASP A 78 15.209 4.805 -0.043 1.00 0.45 C ATOM 1219 O ASP A 78 15.401 4.885 1.172 1.00 0.70 O ATOM 1220 CB ASP A 78 15.936 7.126 -0.263 1.00 0.61 C ATOM 1221 CG ASP A 78 15.893 8.431 -1.036 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.755 8.630 -1.925 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.006 9.266 -0.763 1.00 2.12 O ATOM 0 H ASP A 78 13.949 6.699 -2.379 1.00 0.30 H new ATOM 0 HA ASP A 78 15.847 5.728 -1.842 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.463 7.274 0.708 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.976 6.860 -0.074 1.00 0.61 H new ATOM 1228 N ALA A 79 14.874 3.734 -0.662 1.00 0.37 N ATOM 1229 CA ALA A 79 14.716 2.455 -0.010 1.00 0.34 C ATOM 1230 C ALA A 79 15.991 2.039 0.715 1.00 0.38 C ATOM 1231 O ALA A 79 17.075 2.037 0.131 1.00 0.40 O ATOM 1232 CB ALA A 79 14.320 1.420 -1.046 1.00 0.34 C ATOM 0 H ALA A 79 14.693 3.705 -1.665 1.00 0.37 H new ATOM 0 HA ALA A 79 13.933 2.535 0.744 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.198 0.450 -0.563 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.380 1.714 -1.513 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.097 1.351 -1.807 1.00 0.34 H new ATOM 1238 N GLN A 80 15.850 1.729 2.000 1.00 0.47 N ATOM 1239 CA GLN A 80 16.938 1.168 2.788 1.00 0.55 C ATOM 1240 C GLN A 80 17.451 -0.097 2.122 1.00 0.43 C ATOM 1241 O GLN A 80 16.664 -0.965 1.773 1.00 0.43 O ATOM 1242 CB GLN A 80 16.436 0.872 4.212 1.00 0.74 C ATOM 1243 CG GLN A 80 17.289 -0.107 5.008 1.00 0.78 C ATOM 1244 CD GLN A 80 18.312 0.566 5.908 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.639 0.042 6.972 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.828 1.714 5.493 1.00 1.43 N ATOM 0 H GLN A 80 14.983 1.859 2.521 1.00 0.47 H new ATOM 0 HA GLN A 80 17.759 1.882 2.849 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.379 1.811 4.763 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.422 0.478 4.148 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.636 -0.731 5.618 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.808 -0.770 4.315 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.530 2.115 4.604 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.523 2.196 6.063 1.00 1.43 H new ATOM 1255 N PRO A 81 18.775 -0.219 1.959 1.00 0.42 N ATOM 1256 CA PRO A 81 19.390 -1.316 1.197 1.00 0.44 C ATOM 1257 C PRO A 81 19.096 -2.685 1.780 1.00 0.54 C ATOM 1258 O PRO A 81 19.286 -3.708 1.129 1.00 1.33 O ATOM 1259 CB PRO A 81 20.889 -1.027 1.293 1.00 0.50 C ATOM 1260 CG PRO A 81 21.040 -0.117 2.462 1.00 0.57 C ATOM 1261 CD PRO A 81 19.788 0.702 2.501 1.00 0.49 C ATOM 0 HA PRO A 81 19.002 -1.350 0.179 1.00 0.44 H new ATOM 0 HB2 PRO A 81 21.458 -1.946 1.434 1.00 0.50 H new ATOM 0 HB3 PRO A 81 21.259 -0.559 0.380 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.167 -0.683 3.385 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.920 0.517 2.354 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.544 1.019 3.515 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.877 1.605 1.897 1.00 0.49 H new ATOM 1269 N ALA A 82 18.640 -2.696 3.010 1.00 0.81 N ATOM 1270 CA ALA A 82 18.282 -3.929 3.665 1.00 0.88 C ATOM 1271 C ALA A 82 16.773 -4.035 3.804 1.00 0.77 C ATOM 1272 O ALA A 82 16.283 -4.693 4.718 1.00 0.91 O ATOM 1273 CB ALA A 82 18.951 -4.012 5.028 1.00 1.12 C ATOM 0 H ALA A 82 18.508 -1.860 3.579 1.00 0.81 H new ATOM 0 HA ALA A 82 18.630 -4.763 3.056 1.00 0.88 H new ATOM 0 HB1 ALA A 82 18.673 -4.948 5.513 1.00 1.12 H new ATOM 0 HB2 ALA A 82 20.033 -3.975 4.905 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.627 -3.173 5.644 1.00 1.12 H new ATOM 1279 N PHE A 83 16.027 -3.380 2.909 1.00 0.64 N ATOM 1280 CA PHE A 83 14.580 -3.406 2.998 1.00 0.68 C ATOM 1281 C PHE A 83 14.019 -4.673 2.398 1.00 0.76 C ATOM 1282 O PHE A 83 13.305 -5.395 3.086 1.00 1.24 O ATOM 1283 CB PHE A 83 13.951 -2.197 2.290 1.00 0.74 C ATOM 1284 CG PHE A 83 13.319 -1.153 3.189 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.983 -1.485 4.496 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.048 0.143 2.749 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.396 -0.562 5.333 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.462 1.065 3.594 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.186 0.818 4.793 1.00 0.88 C ATOM 0 H PHE A 83 16.401 -2.837 2.131 1.00 0.64 H new ATOM 0 HA PHE A 83 14.330 -3.367 4.058 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.721 -1.712 1.690 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.190 -2.561 1.599 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.185 -2.481 4.861 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.299 0.428 1.738 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.099 -0.823 6.338 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.230 2.045 3.204 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.799 1.598 5.432 1.00 0.88 H new ATOM 1299 N THR A 84 14.410 -4.960 1.150 1.00 0.55 N ATOM 1300 CA THR A 84 13.674 -5.853 0.281 1.00 0.58 C ATOM 1301 C THR A 84 12.236 -5.944 0.758 1.00 0.80 C ATOM 1302 O THR A 84 11.788 -6.907 1.391 1.00 1.22 O ATOM 1303 CB THR A 84 14.364 -7.196 0.187 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.710 -6.987 -0.279 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.619 -8.132 -0.758 1.00 1.17 C ATOM 0 H THR A 84 15.251 -4.572 0.724 1.00 0.55 H new ATOM 0 HA THR A 84 13.653 -5.459 -0.735 1.00 0.58 H new ATOM 0 HB THR A 84 14.375 -7.664 1.171 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.171 -7.849 -0.344 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.138 -9.089 -0.806 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.604 -8.287 -0.391 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.581 -7.690 -1.754 1.00 1.17 H new ATOM 1313 N GLY A 85 11.548 -4.879 0.452 1.00 0.87 N ATOM 1314 CA GLY A 85 10.396 -4.493 1.162 1.00 1.43 C ATOM 1315 C GLY A 85 9.163 -5.062 0.585 1.00 0.96 C ATOM 1316 O GLY A 85 8.747 -4.737 -0.512 1.00 1.29 O ATOM 0 H GLY A 85 11.791 -4.253 -0.316 1.00 0.87 H new ATOM 0 HA2 GLY A 85 10.489 -4.811 2.200 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.323 -3.405 1.167 1.00 1.43 H new ATOM 1320 N GLY A 86 8.574 -5.882 1.360 1.00 0.52 N ATOM 1321 CA GLY A 86 7.347 -6.485 0.985 1.00 0.52 C ATOM 1322 C GLY A 86 6.211 -5.749 1.625 1.00 0.40 C ATOM 1323 O GLY A 86 5.809 -6.018 2.752 1.00 0.43 O ATOM 0 H GLY A 86 8.924 -6.160 2.277 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.239 -6.470 -0.100 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.335 -7.531 1.292 1.00 0.52 H new ATOM 1327 N TYR A 87 5.788 -4.749 0.918 1.00 0.34 N ATOM 1328 CA TYR A 87 4.678 -3.925 1.299 1.00 0.28 C ATOM 1329 C TYR A 87 3.405 -4.607 0.805 1.00 0.30 C ATOM 1330 O TYR A 87 3.382 -5.174 -0.290 1.00 0.39 O ATOM 1331 CB TYR A 87 4.838 -2.540 0.673 1.00 0.35 C ATOM 1332 CG TYR A 87 6.151 -1.848 0.998 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.364 -2.305 0.480 1.00 0.42 C ATOM 1334 CD2 TYR A 87 6.175 -0.718 1.803 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.549 -1.656 0.753 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.364 -0.071 2.083 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.545 -0.545 1.559 1.00 0.54 C ATOM 1338 OH TYR A 87 9.725 0.103 1.832 1.00 0.63 O ATOM 0 H TYR A 87 6.216 -4.473 0.034 1.00 0.34 H new ATOM 0 HA TYR A 87 4.630 -3.800 2.381 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.749 -2.632 -0.409 1.00 0.35 H new ATOM 0 HB3 TYR A 87 4.016 -1.907 1.008 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.374 -3.184 -0.147 1.00 0.42 H new ATOM 0 HD2 TYR A 87 5.252 -0.339 2.216 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.476 -2.020 0.335 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.366 0.806 2.713 1.00 0.54 H new ATOM 0 HH TYR A 87 9.549 0.870 2.416 1.00 0.63 H new ATOM 1348 N ARG A 88 2.367 -4.585 1.608 1.00 0.33 N ATOM 1349 CA ARG A 88 1.132 -5.271 1.271 1.00 0.36 C ATOM 1350 C ARG A 88 -0.064 -4.401 1.607 1.00 0.36 C ATOM 1351 O ARG A 88 0.032 -3.501 2.427 1.00 0.60 O ATOM 1352 CB ARG A 88 1.038 -6.615 2.013 1.00 0.42 C ATOM 1353 CG ARG A 88 2.038 -7.650 1.517 1.00 1.09 C ATOM 1354 CD ARG A 88 1.776 -9.024 2.116 1.00 1.23 C ATOM 1355 NE ARG A 88 2.083 -9.090 3.546 1.00 1.73 N ATOM 1356 CZ ARG A 88 1.262 -9.617 4.460 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.053 -10.037 4.110 1.00 2.11 N ATOM 1358 NH2 ARG A 88 1.650 -9.724 5.724 1.00 3.15 N ATOM 0 H ARG A 88 2.349 -4.098 2.504 1.00 0.33 H new ATOM 0 HA ARG A 88 1.131 -5.468 0.199 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.199 -6.446 3.078 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.029 -7.013 1.902 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.987 -7.712 0.430 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.048 -7.330 1.771 1.00 1.09 H new ATOM 0 HD2 ARG A 88 0.730 -9.289 1.962 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.374 -9.766 1.587 1.00 1.23 H new ATOM 0 HE ARG A 88 2.975 -8.712 3.863 1.00 1.73 H new ATOM 0 HH11 ARG A 88 -0.253 -9.958 3.140 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.570 -10.438 4.811 1.00 2.11 H new ATOM 0 HH21 ARG A 88 2.578 -9.404 6.002 1.00 3.15 H new ATOM 0 HH22 ARG A 88 1.021 -10.127 6.418 1.00 3.15 H new ATOM 1372 N CYS A 89 -1.173 -4.637 0.943 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.407 -3.955 1.287 1.00 0.27 C ATOM 1374 C CYS A 89 -3.461 -4.975 1.605 1.00 0.25 C ATOM 1375 O CYS A 89 -3.789 -5.819 0.778 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.916 -3.076 0.158 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.623 -2.220 -0.761 1.00 1.08 S ATOM 0 H CYS A 89 -1.249 -5.292 0.165 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.198 -3.317 2.146 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.490 -3.691 -0.535 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.602 -2.336 0.571 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.141 -1.255 -0.035 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.978 -4.904 2.799 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.022 -5.802 3.219 1.00 0.28 C ATOM 1385 C GLU A 90 -6.225 -4.987 3.669 1.00 0.26 C ATOM 1386 O GLU A 90 -6.203 -4.368 4.735 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.523 -6.701 4.347 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.279 -7.502 3.978 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.894 -8.526 5.023 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.130 -8.174 5.944 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -3.362 -9.682 4.941 1.00 1.43 O ATOM 0 H GLU A 90 -3.692 -4.227 3.506 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.315 -6.441 2.386 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.305 -6.087 5.221 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.318 -7.390 4.631 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.450 -8.009 3.028 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.445 -6.816 3.827 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.254 -4.952 2.842 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.417 -4.126 3.120 1.00 0.22 C ATOM 1400 C VAL A 91 -9.567 -4.951 3.669 1.00 0.22 C ATOM 1401 O VAL A 91 -9.799 -6.092 3.253 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.875 -3.336 1.870 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.071 -4.265 0.684 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.150 -2.535 2.145 1.00 0.51 C ATOM 0 H VAL A 91 -7.309 -5.484 1.974 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.114 -3.407 3.881 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.085 -2.626 1.625 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.393 -3.687 -0.182 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.131 -4.767 0.456 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.830 -5.009 0.926 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.441 -1.994 1.245 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.951 -3.215 2.435 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.967 -1.825 2.952 1.00 0.51 H new ATOM 1414 N SER A 92 -10.273 -4.345 4.606 1.00 0.22 N ATOM 1415 CA SER A 92 -11.399 -4.968 5.259 1.00 0.25 C ATOM 1416 C SER A 92 -12.560 -3.989 5.266 1.00 0.26 C ATOM 1417 O SER A 92 -12.532 -2.964 5.950 1.00 0.30 O ATOM 1418 CB SER A 92 -11.021 -5.371 6.689 1.00 0.32 C ATOM 1419 OG SER A 92 -12.092 -6.030 7.346 1.00 1.18 O ATOM 0 H SER A 92 -10.076 -3.400 4.934 1.00 0.22 H new ATOM 0 HA SER A 92 -11.690 -5.870 4.721 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.150 -6.026 6.665 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.737 -4.484 7.255 1.00 0.32 H new ATOM 0 HG SER A 92 -11.818 -6.275 8.254 1.00 1.18 H new ATOM 1425 N THR A 93 -13.545 -4.287 4.451 1.00 0.28 N ATOM 1426 CA THR A 93 -14.732 -3.474 4.339 1.00 0.35 C ATOM 1427 C THR A 93 -15.928 -4.365 4.378 1.00 0.39 C ATOM 1428 O THR A 93 -15.797 -5.510 3.987 1.00 0.59 O ATOM 1429 CB THR A 93 -14.740 -2.727 3.032 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.397 -2.488 2.627 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.471 -1.418 3.185 1.00 0.57 C ATOM 0 H THR A 93 -13.544 -5.106 3.843 1.00 0.28 H new ATOM 0 HA THR A 93 -14.749 -2.759 5.162 1.00 0.35 H new ATOM 0 HB THR A 93 -15.252 -3.323 2.276 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.876 -2.169 3.393 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.470 -0.887 2.233 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.499 -1.609 3.493 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.974 -0.810 3.940 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.061 -3.813 4.818 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.356 -4.508 4.909 1.00 0.43 C ATOM 1441 C LYS A 94 -18.252 -6.032 4.964 1.00 0.42 C ATOM 1442 O LYS A 94 -18.408 -6.645 6.016 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.307 -4.066 3.775 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.654 -3.612 2.457 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.245 -4.750 1.538 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.322 -5.824 1.388 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.664 -5.305 1.019 1.00 0.65 N ATOM 0 H LYS A 94 -17.109 -2.843 5.131 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.775 -4.206 5.869 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.979 -4.895 3.553 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.923 -3.248 4.148 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.350 -2.963 1.925 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.773 -3.013 2.689 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.006 -4.345 0.555 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.335 -5.210 1.923 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.002 -6.538 0.629 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.404 -6.372 2.327 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.385 -6.024 1.231 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.864 -4.442 1.564 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.684 -5.085 0.003 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.965 -6.611 3.818 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.921 -8.032 3.634 1.00 0.40 C ATOM 1463 C ASP A 95 -16.933 -8.366 2.522 1.00 0.37 C ATOM 1464 O ASP A 95 -16.772 -9.519 2.150 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.309 -8.508 3.262 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.607 -9.921 3.719 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.618 -10.159 4.941 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.816 -10.801 2.860 1.00 1.05 O ATOM 0 H ASP A 95 -17.751 -6.086 2.970 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.597 -8.527 4.550 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.045 -7.831 3.697 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.425 -8.453 2.180 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.269 -7.330 1.994 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.300 -7.509 0.937 1.00 0.29 C ATOM 1475 C LYS A 96 -13.929 -7.575 1.556 1.00 0.27 C ATOM 1476 O LYS A 96 -13.550 -6.726 2.364 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.308 -6.400 -0.145 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.453 -6.967 -1.531 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.170 -7.647 -1.966 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.434 -8.769 -2.944 1.00 1.00 C ATOM 1481 NZ LYS A 96 -14.649 -8.274 -4.325 1.00 1.29 N ATOM 0 H LYS A 96 -16.395 -6.362 2.291 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.572 -8.431 0.423 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.127 -5.708 0.051 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.384 -5.826 -0.083 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.275 -7.682 -1.553 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.704 -6.170 -2.231 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.507 -6.913 -2.425 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.653 -8.041 -1.091 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.592 -9.461 -2.936 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.311 -9.330 -2.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -14.826 -9.079 -4.959 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.469 -7.634 -4.341 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -13.803 -7.761 -4.645 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.220 -8.599 1.195 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.872 -8.792 1.677 1.00 0.29 C ATOM 1497 C PHE A 97 -10.928 -9.083 0.534 1.00 0.32 C ATOM 1498 O PHE A 97 -11.189 -9.939 -0.314 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.838 -9.919 2.682 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.873 -9.695 3.811 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.513 -9.882 3.618 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -11.319 -9.303 5.065 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -8.618 -9.678 4.650 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -10.427 -9.097 6.099 1.00 0.75 C ATOM 1505 CZ PHE A 97 -9.098 -9.273 5.909 1.00 0.74 C ATOM 0 H PHE A 97 -13.550 -9.327 0.561 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.546 -7.872 2.162 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.838 -10.057 3.093 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.574 -10.844 2.169 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.149 -10.191 2.649 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -12.376 -9.157 5.234 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -7.560 -9.828 4.492 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -10.793 -8.793 7.068 1.00 0.75 H new ATOM 0 HZ PHE A 97 -8.408 -9.103 6.722 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.824 -8.377 0.550 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.825 -8.450 -0.516 1.00 0.43 C ATOM 1517 C ASP A 98 -7.449 -8.076 0.020 1.00 0.36 C ATOM 1518 O ASP A 98 -7.340 -7.321 0.991 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.186 -7.505 -1.667 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.982 -8.154 -2.783 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.367 -8.813 -3.652 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.216 -7.972 -2.827 1.00 1.60 O ATOM 0 H ASP A 98 -9.582 -7.730 1.300 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.808 -9.475 -0.886 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.759 -6.668 -1.268 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.267 -7.093 -2.084 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.405 -8.588 -0.625 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.032 -8.317 -0.207 1.00 0.30 C ATOM 1529 C CYS A 99 -4.108 -8.226 -1.415 1.00 0.32 C ATOM 1530 O CYS A 99 -4.369 -8.826 -2.457 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.510 -9.402 0.747 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.531 -9.679 2.215 1.00 1.19 S ATOM 0 H CYS A 99 -6.483 -9.194 -1.441 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.039 -7.362 0.319 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.427 -10.340 0.197 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.504 -9.131 1.067 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.775 -9.693 3.273 1.00 1.19 H new ATOM 1538 N SER A 100 -3.038 -7.464 -1.261 1.00 0.27 N ATOM 1539 CA SER A 100 -2.043 -7.290 -2.312 1.00 0.30 C ATOM 1540 C SER A 100 -0.652 -7.504 -1.731 1.00 0.31 C ATOM 1541 O SER A 100 -0.426 -7.229 -0.556 1.00 0.42 O ATOM 1542 CB SER A 100 -2.147 -5.887 -2.910 1.00 0.38 C ATOM 1543 OG SER A 100 -1.640 -4.917 -2.017 1.00 0.84 O ATOM 0 H SER A 100 -2.833 -6.948 -0.405 1.00 0.27 H new ATOM 0 HA SER A 100 -2.224 -8.020 -3.101 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.595 -5.846 -3.849 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.188 -5.663 -3.143 1.00 0.38 H new ATOM 0 HG SER A 100 -2.110 -4.068 -2.155 1.00 0.84 H new ATOM 1549 N ASN A 101 0.265 -8.016 -2.535 1.00 0.34 N ATOM 1550 CA ASN A 101 1.639 -8.219 -2.089 1.00 0.37 C ATOM 1551 C ASN A 101 2.618 -7.710 -3.141 1.00 0.42 C ATOM 1552 O ASN A 101 2.539 -8.088 -4.306 1.00 0.65 O ATOM 1553 CB ASN A 101 1.912 -9.700 -1.763 1.00 0.60 C ATOM 1554 CG ASN A 101 1.906 -10.640 -2.974 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.649 -11.618 -2.999 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.078 -10.370 -3.976 1.00 1.05 N ATOM 0 H ASN A 101 0.086 -8.299 -3.499 1.00 0.34 H new ATOM 0 HA ASN A 101 1.782 -7.648 -1.172 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.880 -9.775 -1.268 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.162 -10.044 -1.051 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.048 -10.981 -4.792 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.471 -9.551 -3.930 1.00 1.05 H new ATOM 1563 N PHE A 102 3.510 -6.811 -2.752 1.00 0.31 N ATOM 1564 CA PHE A 102 4.454 -6.252 -3.689 1.00 0.38 C ATOM 1565 C PHE A 102 5.796 -6.019 -3.017 1.00 0.30 C ATOM 1566 O PHE A 102 5.881 -5.376 -1.970 1.00 0.37 O ATOM 1567 CB PHE A 102 3.885 -4.976 -4.312 1.00 0.57 C ATOM 1568 CG PHE A 102 3.240 -4.029 -3.343 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.928 -4.208 -2.930 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.944 -2.947 -2.865 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.344 -3.328 -2.047 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.360 -2.065 -1.986 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.061 -2.255 -1.581 1.00 0.86 C ATOM 0 H PHE A 102 3.594 -6.459 -1.798 1.00 0.31 H new ATOM 0 HA PHE A 102 4.623 -6.962 -4.499 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.689 -4.452 -4.828 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.150 -5.255 -5.067 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.359 -5.046 -3.305 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.964 -2.789 -3.183 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.325 -3.482 -1.722 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.923 -1.222 -1.614 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.603 -1.558 -0.894 1.00 0.86 H new ATOM 1583 N ASN A 103 6.845 -6.561 -3.614 1.00 0.24 N ATOM 1584 CA ASN A 103 8.147 -6.549 -3.015 1.00 0.25 C ATOM 1585 C ASN A 103 9.029 -5.510 -3.658 1.00 0.28 C ATOM 1586 O ASN A 103 9.106 -5.379 -4.873 1.00 0.49 O ATOM 1587 CB ASN A 103 8.818 -7.893 -3.178 1.00 0.33 C ATOM 1588 CG ASN A 103 8.000 -9.050 -2.648 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.261 -8.920 -1.673 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.125 -10.191 -3.293 1.00 1.25 N ATOM 0 H ASN A 103 6.806 -7.018 -4.525 1.00 0.24 H new ATOM 0 HA ASN A 103 8.013 -6.318 -1.958 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.025 -8.060 -4.235 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.779 -7.874 -2.664 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.598 -11.009 -2.988 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.749 -10.257 -4.097 1.00 1.25 H new ATOM 1597 N LEU A 104 9.727 -4.823 -2.822 1.00 0.23 N ATOM 1598 CA LEU A 104 10.669 -3.811 -3.253 1.00 0.24 C ATOM 1599 C LEU A 104 12.076 -4.339 -3.085 1.00 0.25 C ATOM 1600 O LEU A 104 12.553 -4.518 -1.975 1.00 0.37 O ATOM 1601 CB LEU A 104 10.499 -2.485 -2.485 1.00 0.27 C ATOM 1602 CG LEU A 104 11.783 -1.721 -2.264 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.730 -0.412 -3.021 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.083 -1.501 -0.779 1.00 0.30 C ATOM 0 H LEU A 104 9.671 -4.937 -1.810 1.00 0.23 H new ATOM 0 HA LEU A 104 10.473 -3.593 -4.303 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.802 -1.850 -3.032 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.045 -2.696 -1.517 1.00 0.27 H new ATOM 0 HG LEU A 104 12.606 -2.322 -2.650 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.657 0.139 -2.861 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.606 -0.612 -4.085 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.889 0.182 -2.663 1.00 0.28 H new ATOM 0 HD21 LEU A 104 13.016 -0.947 -0.674 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.271 -0.933 -0.324 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.175 -2.465 -0.280 1.00 0.30 H new ATOM 1616 N THR A 105 12.731 -4.592 -4.186 1.00 0.23 N ATOM 1617 CA THR A 105 14.076 -5.099 -4.148 1.00 0.24 C ATOM 1618 C THR A 105 15.042 -3.941 -4.257 1.00 0.21 C ATOM 1619 O THR A 105 15.311 -3.438 -5.348 1.00 0.22 O ATOM 1620 CB THR A 105 14.340 -6.095 -5.283 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.243 -7.011 -5.390 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.623 -6.867 -5.026 1.00 0.32 C ATOM 0 H THR A 105 12.353 -4.455 -5.124 1.00 0.23 H new ATOM 0 HA THR A 105 14.216 -5.626 -3.204 1.00 0.24 H new ATOM 0 HB THR A 105 14.444 -5.540 -6.215 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.415 -7.644 -6.118 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.795 -7.569 -5.842 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.460 -6.171 -4.964 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.536 -7.415 -4.088 1.00 0.32 H new ATOM 1630 N VAL A 106 15.522 -3.501 -3.116 1.00 0.23 N ATOM 1631 CA VAL A 106 16.458 -2.429 -3.042 1.00 0.23 C ATOM 1632 C VAL A 106 17.839 -2.967 -3.319 1.00 0.25 C ATOM 1633 O VAL A 106 18.354 -3.856 -2.648 1.00 0.28 O ATOM 1634 CB VAL A 106 16.418 -1.719 -1.678 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.586 -2.717 -0.560 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.446 -0.597 -1.616 1.00 0.33 C ATOM 0 H VAL A 106 15.263 -3.889 -2.209 1.00 0.23 H new ATOM 0 HA VAL A 106 16.190 -1.684 -3.791 1.00 0.23 H new ATOM 0 HB VAL A 106 15.440 -1.254 -1.552 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.555 -2.198 0.398 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.780 -3.450 -0.602 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.544 -3.225 -0.667 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.397 -0.112 -0.641 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.444 -1.009 -1.766 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.234 0.134 -2.396 1.00 0.33 H new ATOM 1646 N HIS A 107 18.387 -2.436 -4.350 1.00 0.26 N ATOM 1647 CA HIS A 107 19.675 -2.841 -4.840 1.00 0.31 C ATOM 1648 C HIS A 107 20.730 -1.980 -4.198 1.00 0.34 C ATOM 1649 O HIS A 107 20.947 -0.829 -4.583 1.00 0.36 O ATOM 1650 CB HIS A 107 19.759 -2.714 -6.364 1.00 0.36 C ATOM 1651 CG HIS A 107 18.836 -3.617 -7.130 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.682 -3.530 -8.496 1.00 1.19 N ATOM 1653 CD2 HIS A 107 18.023 -4.627 -6.728 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.819 -4.440 -8.905 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.404 -5.119 -7.855 1.00 0.53 N ATOM 0 H HIS A 107 17.953 -1.692 -4.896 1.00 0.26 H new ATOM 0 HA HIS A 107 19.833 -3.889 -4.586 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.543 -1.682 -6.639 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.783 -2.920 -6.674 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.887 -4.978 -5.716 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.506 -4.601 -9.926 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.732 -5.886 -7.874 1.00 0.53 H new ATOM 1664 N GLU A 108 21.330 -2.539 -3.186 1.00 0.45 N ATOM 1665 CA GLU A 108 22.456 -1.918 -2.517 1.00 0.56 C ATOM 1666 C GLU A 108 23.677 -1.935 -3.424 1.00 0.71 C ATOM 1667 O GLU A 108 24.206 -2.996 -3.757 1.00 1.33 O ATOM 1668 CB GLU A 108 22.757 -2.632 -1.200 1.00 0.71 C ATOM 1669 CG GLU A 108 23.918 -2.026 -0.430 1.00 0.87 C ATOM 1670 CD GLU A 108 24.126 -2.682 0.915 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.515 -3.865 0.949 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.901 -2.018 1.947 1.00 1.66 O ATOM 0 H GLU A 108 21.057 -3.441 -2.795 1.00 0.45 H new ATOM 0 HA GLU A 108 22.201 -0.882 -2.293 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.866 -2.611 -0.573 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.976 -3.680 -1.406 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.829 -2.119 -1.021 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.738 -0.961 -0.287 1.00 0.87 H new ATOM 1679 N ALA A 109 24.100 -0.756 -3.838 1.00 1.29 N ATOM 1680 CA ALA A 109 25.262 -0.622 -4.694 1.00 1.54 C ATOM 1681 C ALA A 109 26.410 0.004 -3.921 1.00 2.12 C ATOM 1682 O ALA A 109 26.254 1.063 -3.312 1.00 2.78 O ATOM 1683 CB ALA A 109 24.925 0.212 -5.923 1.00 2.44 C ATOM 0 H ALA A 109 23.653 0.127 -3.593 1.00 1.29 H new ATOM 0 HA ALA A 109 25.567 -1.613 -5.028 1.00 1.54 H new ATOM 0 HB1 ALA A 109 25.809 0.303 -6.555 1.00 2.44 H new ATOM 0 HB2 ALA A 109 24.126 -0.273 -6.484 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.599 1.204 -5.611 1.00 2.44 H new ATOM 1689 N MET A 110 27.555 -0.655 -3.938 1.00 2.77 N ATOM 1690 CA MET A 110 28.724 -0.167 -3.234 1.00 3.92 C ATOM 1691 C MET A 110 29.690 0.461 -4.224 1.00 4.80 C ATOM 1692 O MET A 110 29.870 1.693 -4.180 1.00 5.41 O ATOM 1693 CB MET A 110 29.408 -1.300 -2.466 1.00 4.52 C ATOM 1694 CG MET A 110 30.612 -0.846 -1.656 1.00 5.33 C ATOM 1695 SD MET A 110 31.374 -2.195 -0.738 1.00 6.12 S ATOM 1696 CE MET A 110 30.030 -2.668 0.347 1.00 6.92 C ATOM 1697 OXT MET A 110 30.235 -0.275 -5.069 1.00 5.23 O ATOM 0 H MET A 110 27.699 -1.534 -4.435 1.00 2.77 H new ATOM 0 HA MET A 110 28.410 0.587 -2.512 1.00 3.92 H new ATOM 0 HB2 MET A 110 28.683 -1.763 -1.796 1.00 4.52 H new ATOM 0 HB3 MET A 110 29.724 -2.067 -3.172 1.00 4.52 H new ATOM 0 HG2 MET A 110 31.350 -0.404 -2.325 1.00 5.33 H new ATOM 0 HG3 MET A 110 30.304 -0.065 -0.960 1.00 5.33 H new ATOM 0 HE1 MET A 110 30.425 -2.895 1.337 1.00 6.92 H new ATOM 0 HE2 MET A 110 29.315 -1.848 0.420 1.00 6.92 H new ATOM 0 HE3 MET A 110 29.531 -3.550 -0.055 1.00 6.92 H new TER 1707 MET A 110