USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 612 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 53 GLN : amide:sc= 2.31 K(o=4.2,f=-1.8) USER MOD Set 1.2: A 73 THR OG1 : rot 101:sc= 0.541 USER MOD Set 1.3: A 75 CYS SG : rot -25:sc= 1.32 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 147:sc= -0.37 (180deg=-0.969) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.167 X(o=-0.54,f=-0.81) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -0.434 X(o=0.78,f=1) USER MOD Set 3.2: A 37 SER OG : rot -99:sc= 1.21 USER MOD Set 4.1: A 34 ASN : amide:sc= 0.0793 X(o=0.16,f=0.03) USER MOD Set 4.2: A 36 TYR OH : rot 82:sc= 0.085 USER MOD Set 5.1: A 3 SER OG : rot 180:sc= 0.176 USER MOD Set 5.2: A 5 THR OG1 : rot 84:sc= 0.0923 USER MOD Single : A 4 MET CE :methyl -143:sc= -0.133 (180deg=-0.754) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.11) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.44 K(o=-1.4,f=0) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 44:sc= 0.067 USER MOD Single : A 33 ASN : amide:sc= -1.31! C(o=-1.3!,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= 0.248 (180deg=-0.0427) USER MOD Single : A 42 SER OG : rot 104:sc= 1.02 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.636 K(o=0.64,f=-2.1) USER MOD Single : A 46 GLN : amide:sc= -0.0149 K(o=-0.015,f=-0.78) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 1.25 (180deg=1.12) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -163:sc= -0.141 (180deg=-0.673) USER MOD Single : A 58 TYR OH : rot 180:sc= 0.965 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0124 (180deg=-0.18) USER MOD Single : A 65 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.406 (180deg=0.262) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.679 1.517 -2.637 1.00 72.44 N ATOM 2 CA PRO A 1 4.843 0.813 -3.634 1.00 63.23 C ATOM 3 C PRO A 1 3.636 0.171 -2.965 1.00 50.34 C ATOM 4 O PRO A 1 3.751 -0.418 -1.890 1.00 54.34 O ATOM 5 CB PRO A 1 5.683 -0.253 -4.322 1.00 35.02 C ATOM 6 CG PRO A 1 6.903 -0.330 -3.479 1.00 24.21 C ATOM 7 CD PRO A 1 7.059 1.030 -2.843 1.00 63.42 C ATOM 0 H2 PRO A 1 5.360 1.319 -1.689 1.00 72.44 H new ATOM 0 H3 PRO A 1 5.626 2.528 -2.765 1.00 72.44 H new ATOM 0 HA PRO A 1 4.482 1.532 -4.370 1.00 63.23 H new ATOM 0 HB2 PRO A 1 5.162 -1.210 -4.363 1.00 35.02 H new ATOM 0 HB3 PRO A 1 5.921 0.024 -5.349 1.00 35.02 H new ATOM 0 HG2 PRO A 1 6.804 -1.106 -2.720 1.00 24.21 H new ATOM 0 HG3 PRO A 1 7.777 -0.582 -4.080 1.00 24.21 H new ATOM 0 HD2 PRO A 1 7.599 0.964 -1.899 1.00 63.42 H new ATOM 0 HD3 PRO A 1 7.623 1.704 -3.487 1.00 63.42 H new ATOM 17 N GLY A 2 2.483 0.292 -3.601 1.00 35.53 N ATOM 18 CA GLY A 2 1.279 -0.306 -3.069 1.00 24.52 C ATOM 19 C GLY A 2 0.815 -1.478 -3.905 1.00 1.40 C ATOM 20 O GLY A 2 1.614 -2.337 -4.283 1.00 22.44 O ATOM 0 H GLY A 2 2.359 0.796 -4.479 1.00 35.53 H new ATOM 0 HA2 GLY A 2 1.460 -0.638 -2.047 1.00 24.52 H new ATOM 0 HA3 GLY A 2 0.489 0.444 -3.026 1.00 24.52 H new ATOM 24 N SER A 3 -0.472 -1.510 -4.206 1.00 10.13 N ATOM 25 CA SER A 3 -1.038 -2.579 -5.005 1.00 12.40 C ATOM 26 C SER A 3 -1.558 -2.031 -6.330 1.00 50.22 C ATOM 27 O SER A 3 -1.802 -0.829 -6.464 1.00 24.11 O ATOM 28 CB SER A 3 -2.164 -3.274 -4.234 1.00 44.31 C ATOM 29 OG SER A 3 -2.719 -4.344 -4.986 1.00 54.01 O ATOM 0 H SER A 3 -1.145 -0.804 -3.907 1.00 10.13 H new ATOM 0 HA SER A 3 -0.258 -3.310 -5.216 1.00 12.40 H new ATOM 0 HB2 SER A 3 -1.780 -3.653 -3.287 1.00 44.31 H new ATOM 0 HB3 SER A 3 -2.944 -2.551 -3.995 1.00 44.31 H new ATOM 0 HG SER A 3 -3.434 -4.771 -4.469 1.00 54.01 H new ATOM 35 N MET A 4 -1.710 -2.914 -7.305 1.00 64.30 N ATOM 36 CA MET A 4 -2.251 -2.542 -8.605 1.00 73.21 C ATOM 37 C MET A 4 -3.373 -3.497 -8.990 1.00 42.35 C ATOM 38 O MET A 4 -3.880 -3.466 -10.111 1.00 54.24 O ATOM 39 CB MET A 4 -1.153 -2.556 -9.674 1.00 72.52 C ATOM 40 CG MET A 4 -0.528 -3.927 -9.899 1.00 21.33 C ATOM 41 SD MET A 4 0.751 -3.906 -11.171 1.00 14.12 S ATOM 42 CE MET A 4 -0.197 -3.375 -12.595 1.00 12.30 C ATOM 0 H MET A 4 -1.465 -3.900 -7.220 1.00 64.30 H new ATOM 0 HA MET A 4 -2.650 -1.530 -8.539 1.00 73.21 H new ATOM 0 HB2 MET A 4 -1.571 -2.199 -10.615 1.00 72.52 H new ATOM 0 HB3 MET A 4 -0.371 -1.854 -9.386 1.00 72.52 H new ATOM 0 HG2 MET A 4 -0.099 -4.284 -8.963 1.00 21.33 H new ATOM 0 HG3 MET A 4 -1.307 -4.635 -10.183 1.00 21.33 H new ATOM 0 HE1 MET A 4 0.161 -3.894 -13.484 1.00 12.30 H new ATOM 0 HE2 MET A 4 -1.250 -3.607 -12.438 1.00 12.30 H new ATOM 0 HE3 MET A 4 -0.079 -2.300 -12.730 1.00 12.30 H new ATOM 52 N THR A 5 -3.751 -4.347 -8.047 1.00 5.32 N ATOM 53 CA THR A 5 -4.812 -5.314 -8.266 1.00 22.53 C ATOM 54 C THR A 5 -6.163 -4.611 -8.314 1.00 65.22 C ATOM 55 O THR A 5 -6.618 -4.052 -7.312 1.00 62.04 O ATOM 56 CB THR A 5 -4.827 -6.364 -7.144 1.00 42.10 C ATOM 57 OG1 THR A 5 -3.487 -6.791 -6.863 1.00 71.41 O ATOM 58 CG2 THR A 5 -5.679 -7.567 -7.526 1.00 53.01 C ATOM 0 H THR A 5 -3.334 -4.385 -7.117 1.00 5.32 H new ATOM 0 HA THR A 5 -4.626 -5.812 -9.218 1.00 22.53 H new ATOM 0 HB THR A 5 -5.262 -5.906 -6.256 1.00 42.10 H new ATOM 0 HG1 THR A 5 -3.064 -6.157 -6.246 1.00 71.41 H new ATOM 0 HG21 THR A 5 -5.670 -8.292 -6.712 1.00 53.01 H new ATOM 0 HG22 THR A 5 -6.703 -7.243 -7.712 1.00 53.01 H new ATOM 0 HG23 THR A 5 -5.275 -8.028 -8.427 1.00 53.01 H new ATOM 66 N VAL A 6 -6.793 -4.634 -9.477 1.00 4.20 N ATOM 67 CA VAL A 6 -8.064 -3.956 -9.668 1.00 13.52 C ATOM 68 C VAL A 6 -9.230 -4.879 -9.334 1.00 40.55 C ATOM 69 O VAL A 6 -9.059 -6.095 -9.214 1.00 4.41 O ATOM 70 CB VAL A 6 -8.220 -3.428 -11.112 1.00 75.41 C ATOM 71 CG1 VAL A 6 -7.189 -2.343 -11.395 1.00 44.14 C ATOM 72 CG2 VAL A 6 -8.101 -4.563 -12.122 1.00 12.15 C ATOM 0 H VAL A 6 -6.444 -5.116 -10.305 1.00 4.20 H new ATOM 0 HA VAL A 6 -8.074 -3.105 -8.988 1.00 13.52 H new ATOM 0 HB VAL A 6 -9.215 -2.993 -11.212 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -7.312 -1.982 -12.416 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -7.330 -1.517 -10.698 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -6.186 -2.753 -11.274 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -8.214 -4.166 -13.131 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -7.123 -5.035 -12.026 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -8.880 -5.301 -11.933 1.00 12.15 H new ATOM 82 N THR A 7 -10.407 -4.296 -9.174 1.00 31.41 N ATOM 83 CA THR A 7 -11.599 -5.061 -8.866 1.00 35.31 C ATOM 84 C THR A 7 -12.556 -5.038 -10.058 1.00 31.42 C ATOM 85 O THR A 7 -12.491 -4.138 -10.897 1.00 72.04 O ATOM 86 CB THR A 7 -12.295 -4.469 -7.619 1.00 54.51 C ATOM 87 OG1 THR A 7 -11.336 -4.302 -6.564 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.423 -5.365 -7.129 1.00 10.33 C ATOM 0 H THR A 7 -10.560 -3.291 -9.253 1.00 31.41 H new ATOM 0 HA THR A 7 -11.316 -6.093 -8.659 1.00 35.31 H new ATOM 0 HB THR A 7 -12.720 -3.505 -7.901 1.00 54.51 H new ATOM 0 HG1 THR A 7 -11.779 -3.925 -5.776 1.00 5.41 H new ATOM 0 HG21 THR A 7 -13.889 -4.917 -6.251 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.167 -5.477 -7.917 1.00 10.33 H new ATOM 0 HG23 THR A 7 -13.022 -6.344 -6.867 1.00 10.33 H new ATOM 96 N GLN A 8 -13.454 -6.013 -10.121 1.00 3.23 N ATOM 97 CA GLN A 8 -14.445 -6.069 -11.184 1.00 50.02 C ATOM 98 C GLN A 8 -15.668 -5.246 -10.795 1.00 1.14 C ATOM 99 O GLN A 8 -16.710 -5.795 -10.444 1.00 72.35 O ATOM 100 CB GLN A 8 -14.849 -7.520 -11.462 1.00 43.14 C ATOM 101 CG GLN A 8 -13.683 -8.411 -11.853 1.00 33.25 C ATOM 102 CD GLN A 8 -13.033 -7.984 -13.152 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.120 -7.161 -13.162 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.497 -8.542 -14.260 1.00 54.35 N ATOM 0 H GLN A 8 -13.515 -6.776 -9.447 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.011 -5.652 -12.093 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -15.328 -7.932 -10.574 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.591 -7.535 -12.260 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -12.938 -8.398 -11.057 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.032 -9.439 -11.947 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.256 -9.221 -14.210 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.095 -8.293 -15.164 1.00 54.35 H new ATOM 113 N SER A 9 -15.526 -3.928 -10.843 1.00 52.14 N ATOM 114 CA SER A 9 -16.569 -3.022 -10.382 1.00 2.52 C ATOM 115 C SER A 9 -17.805 -3.104 -11.274 1.00 0.31 C ATOM 116 O SER A 9 -18.933 -3.079 -10.787 1.00 54.11 O ATOM 117 CB SER A 9 -16.036 -1.587 -10.336 1.00 33.54 C ATOM 118 OG SER A 9 -16.927 -0.726 -9.645 1.00 75.12 O ATOM 0 H SER A 9 -14.692 -3.460 -11.199 1.00 52.14 H new ATOM 0 HA SER A 9 -16.863 -3.324 -9.377 1.00 2.52 H new ATOM 0 HB2 SER A 9 -15.062 -1.574 -9.846 1.00 33.54 H new ATOM 0 HB3 SER A 9 -15.887 -1.220 -11.351 1.00 33.54 H new ATOM 0 HG SER A 9 -16.559 0.182 -9.631 1.00 75.12 H new ATOM 124 N GLN A 10 -17.591 -3.223 -12.579 1.00 65.43 N ATOM 125 CA GLN A 10 -18.701 -3.295 -13.521 1.00 50.30 C ATOM 126 C GLN A 10 -19.459 -4.606 -13.346 1.00 24.22 C ATOM 127 O GLN A 10 -20.682 -4.649 -13.455 1.00 13.03 O ATOM 128 CB GLN A 10 -18.205 -3.165 -14.960 1.00 3.51 C ATOM 129 CG GLN A 10 -17.408 -1.894 -15.216 1.00 31.21 C ATOM 130 CD GLN A 10 -16.915 -1.784 -16.647 1.00 30.13 C ATOM 131 OE1 GLN A 10 -15.859 -1.208 -16.907 1.00 43.14 O ATOM 132 NE2 GLN A 10 -17.679 -2.323 -17.585 1.00 21.05 N ATOM 0 H GLN A 10 -16.666 -3.271 -13.007 1.00 65.43 H new ATOM 0 HA GLN A 10 -19.375 -2.464 -13.314 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -17.584 -4.028 -15.201 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -19.061 -3.189 -15.634 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -18.029 -1.029 -14.984 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -16.554 -1.864 -14.540 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -18.548 -2.792 -17.328 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -17.399 -2.269 -18.564 1.00 21.05 H new ATOM 141 N LEU A 11 -18.718 -5.672 -13.071 1.00 1.21 N ATOM 142 CA LEU A 11 -19.313 -6.981 -12.833 1.00 12.41 C ATOM 143 C LEU A 11 -20.021 -7.001 -11.482 1.00 54.11 C ATOM 144 O LEU A 11 -21.073 -7.622 -11.330 1.00 71.13 O ATOM 145 CB LEU A 11 -18.254 -8.088 -12.890 1.00 53.43 C ATOM 146 CG LEU A 11 -17.696 -8.420 -14.280 1.00 4.24 C ATOM 147 CD1 LEU A 11 -16.831 -7.287 -14.815 1.00 55.21 C ATOM 148 CD2 LEU A 11 -16.904 -9.716 -14.227 1.00 61.15 C ATOM 0 H LEU A 11 -17.700 -5.655 -13.007 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.043 -7.168 -13.621 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.422 -7.800 -12.247 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.684 -8.996 -12.468 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.536 -8.545 -14.963 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -16.451 -7.554 -15.801 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.428 -6.378 -14.890 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -15.994 -7.117 -14.138 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -16.512 -9.944 -15.218 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -16.077 -9.608 -13.525 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -17.555 -10.527 -13.899 1.00 61.15 H new ATOM 160 N GLU A 12 -19.433 -6.319 -10.506 1.00 14.13 N ATOM 161 CA GLU A 12 -20.044 -6.159 -9.200 1.00 13.33 C ATOM 162 C GLU A 12 -21.374 -5.440 -9.351 1.00 23.45 C ATOM 163 O GLU A 12 -22.402 -5.897 -8.855 1.00 35.24 O ATOM 164 CB GLU A 12 -19.100 -5.372 -8.290 1.00 72.23 C ATOM 165 CG GLU A 12 -19.570 -5.258 -6.853 1.00 2.41 C ATOM 166 CD GLU A 12 -20.104 -3.882 -6.515 1.00 74.31 C ATOM 167 OE1 GLU A 12 -19.287 -2.963 -6.300 1.00 33.12 O ATOM 168 OE2 GLU A 12 -21.338 -3.709 -6.452 1.00 23.41 O ATOM 0 H GLU A 12 -18.524 -5.865 -10.601 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.225 -7.135 -8.750 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.120 -5.849 -8.303 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -18.972 -4.370 -8.699 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -20.348 -5.999 -6.671 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.742 -5.495 -6.185 1.00 2.41 H new ATOM 175 N LEU A 13 -21.337 -4.325 -10.069 1.00 24.43 N ATOM 176 CA LEU A 13 -22.534 -3.568 -10.394 1.00 1.43 C ATOM 177 C LEU A 13 -23.537 -4.455 -11.123 1.00 31.21 C ATOM 178 O LEU A 13 -24.735 -4.407 -10.847 1.00 4.34 O ATOM 179 CB LEU A 13 -22.151 -2.345 -11.245 1.00 73.45 C ATOM 180 CG LEU A 13 -23.309 -1.506 -11.800 1.00 63.21 C ATOM 181 CD1 LEU A 13 -22.894 -0.048 -11.909 1.00 44.11 C ATOM 182 CD2 LEU A 13 -23.734 -2.021 -13.169 1.00 50.21 C ATOM 0 H LEU A 13 -20.477 -3.922 -10.441 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.006 -3.218 -9.476 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -21.518 -1.695 -10.642 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -21.547 -2.689 -12.084 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.152 -1.590 -11.115 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -23.724 0.538 -12.304 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -22.622 0.328 -10.923 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -22.038 0.038 -12.579 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -24.556 -1.414 -13.547 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -22.892 -1.960 -13.858 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.058 -3.058 -13.083 1.00 50.21 H new ATOM 194 N LEU A 14 -23.037 -5.287 -12.026 1.00 72.01 N ATOM 195 CA LEU A 14 -23.889 -6.188 -12.793 1.00 3.52 C ATOM 196 C LEU A 14 -24.670 -7.117 -11.865 1.00 71.02 C ATOM 197 O LEU A 14 -25.899 -7.210 -11.947 1.00 70.32 O ATOM 198 CB LEU A 14 -23.043 -7.010 -13.774 1.00 33.20 C ATOM 199 CG LEU A 14 -23.814 -8.031 -14.615 1.00 40.12 C ATOM 200 CD1 LEU A 14 -24.790 -7.338 -15.553 1.00 54.01 C ATOM 201 CD2 LEU A 14 -22.850 -8.909 -15.400 1.00 11.21 C ATOM 0 H LEU A 14 -22.044 -5.357 -12.246 1.00 72.01 H new ATOM 0 HA LEU A 14 -24.602 -5.587 -13.357 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -22.530 -6.324 -14.448 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.274 -7.537 -13.210 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.388 -8.664 -13.938 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.325 -8.086 -16.139 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.503 -6.755 -14.970 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.242 -6.676 -16.223 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -23.414 -9.629 -15.993 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -22.248 -8.287 -16.062 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -22.197 -9.441 -14.708 1.00 11.21 H new ATOM 213 N ILE A 15 -23.954 -7.768 -10.956 1.00 13.25 N ATOM 214 CA ILE A 15 -24.567 -8.718 -10.035 1.00 24.23 C ATOM 215 C ILE A 15 -25.442 -7.997 -9.011 1.00 61.32 C ATOM 216 O ILE A 15 -26.559 -8.419 -8.737 1.00 75.31 O ATOM 217 CB ILE A 15 -23.500 -9.565 -9.299 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.613 -10.311 -10.303 1.00 70.34 C ATOM 219 CG2 ILE A 15 -24.160 -10.547 -8.339 1.00 52.02 C ATOM 220 CD1 ILE A 15 -23.373 -11.246 -11.222 1.00 63.52 C ATOM 0 H ILE A 15 -22.947 -7.655 -10.837 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.189 -9.386 -10.631 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.871 -8.889 -8.720 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.075 -9.582 -10.908 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.865 -10.885 -9.755 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.392 -11.132 -7.832 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.744 -9.997 -7.601 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.817 -11.215 -8.896 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -22.675 -11.735 -11.901 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -23.890 -12.000 -10.628 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -24.102 -10.676 -11.799 1.00 63.52 H new ATOM 232 N ARG A 16 -24.934 -6.896 -8.472 1.00 32.24 N ATOM 233 CA ARG A 16 -25.649 -6.131 -7.454 1.00 15.30 C ATOM 234 C ARG A 16 -26.932 -5.515 -8.021 1.00 74.23 C ATOM 235 O ARG A 16 -27.920 -5.353 -7.306 1.00 15.23 O ATOM 236 CB ARG A 16 -24.732 -5.046 -6.875 1.00 23.14 C ATOM 237 CG ARG A 16 -25.408 -4.110 -5.881 1.00 71.35 C ATOM 238 CD ARG A 16 -25.827 -4.817 -4.597 1.00 63.11 C ATOM 239 NE ARG A 16 -24.688 -5.240 -3.777 1.00 73.55 N ATOM 240 CZ ARG A 16 -23.861 -4.400 -3.138 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.013 -3.085 -3.250 1.00 4.32 N ATOM 242 NH2 ARG A 16 -22.897 -4.875 -2.362 1.00 75.13 N ATOM 0 H ARG A 16 -24.024 -6.510 -8.724 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.939 -6.811 -6.653 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.886 -5.527 -6.384 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.329 -4.453 -7.696 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.728 -3.294 -5.636 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.286 -3.664 -6.348 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -26.461 -4.150 -4.012 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -26.430 -5.690 -4.849 1.00 63.11 H new ATOM 0 HE ARG A 16 -24.513 -6.241 -3.686 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.764 -2.706 -3.826 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -23.378 -2.455 -2.760 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -22.783 -5.882 -2.250 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -22.270 -4.233 -1.877 1.00 75.13 H new ATOM 256 N ASN A 17 -26.921 -5.164 -9.301 1.00 21.01 N ATOM 257 CA ASN A 17 -28.114 -4.614 -9.939 1.00 71.44 C ATOM 258 C ASN A 17 -29.073 -5.729 -10.332 1.00 24.13 C ATOM 259 O ASN A 17 -30.290 -5.566 -10.261 1.00 64.41 O ATOM 260 CB ASN A 17 -27.760 -3.771 -11.170 1.00 22.11 C ATOM 261 CG ASN A 17 -27.212 -2.392 -10.829 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.440 -1.428 -11.560 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.471 -2.286 -9.736 1.00 64.22 N ATOM 0 H ASN A 17 -26.110 -5.248 -9.913 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.600 -3.963 -9.213 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.023 -4.308 -11.768 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -28.650 -3.656 -11.789 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -26.069 -1.385 -9.478 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.302 -3.106 -9.153 1.00 64.22 H new ATOM 270 N ALA A 18 -28.518 -6.865 -10.748 1.00 24.13 N ATOM 271 CA ALA A 18 -29.331 -8.024 -11.101 1.00 52.44 C ATOM 272 C ALA A 18 -29.975 -8.630 -9.857 1.00 63.32 C ATOM 273 O ALA A 18 -31.169 -8.939 -9.848 1.00 53.11 O ATOM 274 CB ALA A 18 -28.490 -9.066 -11.826 1.00 44.34 C ATOM 0 H ALA A 18 -27.513 -7.007 -10.848 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.124 -7.693 -11.771 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.113 -9.923 -12.081 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.079 -8.632 -12.737 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.675 -9.390 -11.179 1.00 44.34 H new ATOM 280 N PHE A 19 -29.179 -8.787 -8.811 1.00 32.44 N ATOM 281 CA PHE A 19 -29.654 -9.329 -7.548 1.00 64.45 C ATOM 282 C PHE A 19 -29.242 -8.413 -6.399 1.00 11.13 C ATOM 283 O PHE A 19 -28.106 -8.469 -5.930 1.00 74.13 O ATOM 284 CB PHE A 19 -29.090 -10.737 -7.307 1.00 5.30 C ATOM 285 CG PHE A 19 -29.507 -11.754 -8.332 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.706 -12.435 -8.199 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.700 -12.029 -9.424 1.00 21.44 C ATOM 288 CE1 PHE A 19 -31.092 -13.375 -9.137 1.00 53.12 C ATOM 289 CE2 PHE A 19 -29.080 -12.966 -10.364 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.279 -13.640 -10.222 1.00 4.25 C ATOM 0 H PHE A 19 -28.189 -8.543 -8.813 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.741 -9.392 -7.595 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -28.002 -10.682 -7.289 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -29.408 -11.079 -6.322 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -31.346 -12.230 -7.354 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.763 -11.505 -9.541 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -32.028 -13.901 -9.021 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.441 -13.172 -11.210 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.579 -14.372 -10.957 1.00 4.25 H new ATOM 300 N PRO A 20 -30.155 -7.543 -5.939 1.00 74.32 N ATOM 301 CA PRO A 20 -29.883 -6.623 -4.830 1.00 62.04 C ATOM 302 C PRO A 20 -29.793 -7.360 -3.497 1.00 53.13 C ATOM 303 O PRO A 20 -29.378 -6.801 -2.482 1.00 3.14 O ATOM 304 CB PRO A 20 -31.089 -5.667 -4.838 1.00 73.25 C ATOM 305 CG PRO A 20 -31.825 -5.951 -6.108 1.00 43.34 C ATOM 306 CD PRO A 20 -31.515 -7.375 -6.462 1.00 54.10 C ATOM 0 HA PRO A 20 -28.929 -6.110 -4.948 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.727 -5.835 -3.970 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.764 -4.627 -4.798 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.897 -5.807 -5.977 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.507 -5.275 -6.902 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -32.216 -8.070 -6.000 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.560 -7.545 -7.538 1.00 54.10 H new ATOM 314 N GLU A 21 -30.178 -8.626 -3.520 1.00 43.25 N ATOM 315 CA GLU A 21 -30.191 -9.455 -2.329 1.00 14.45 C ATOM 316 C GLU A 21 -29.005 -10.418 -2.329 1.00 61.52 C ATOM 317 O GLU A 21 -28.994 -11.416 -1.604 1.00 44.12 O ATOM 318 CB GLU A 21 -31.514 -10.220 -2.265 1.00 73.54 C ATOM 319 CG GLU A 21 -31.825 -10.988 -3.539 1.00 25.00 C ATOM 320 CD GLU A 21 -33.265 -10.828 -3.978 1.00 21.25 C ATOM 321 OE1 GLU A 21 -34.144 -11.539 -3.443 1.00 31.02 O ATOM 322 OE2 GLU A 21 -33.526 -9.999 -4.871 1.00 2.14 O ATOM 0 H GLU A 21 -30.490 -9.106 -4.364 1.00 43.25 H new ATOM 0 HA GLU A 21 -30.101 -8.821 -1.447 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -31.483 -10.917 -1.427 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -32.323 -9.517 -2.066 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.166 -10.644 -4.336 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -31.612 -12.045 -3.383 1.00 25.00 H new ATOM 329 N ALA A 22 -27.999 -10.110 -3.139 1.00 13.31 N ATOM 330 CA ALA A 22 -26.801 -10.930 -3.218 1.00 45.34 C ATOM 331 C ALA A 22 -25.554 -10.063 -3.117 1.00 74.40 C ATOM 332 O ALA A 22 -25.503 -8.966 -3.676 1.00 53.45 O ATOM 333 CB ALA A 22 -26.788 -11.731 -4.511 1.00 43.43 C ATOM 0 H ALA A 22 -27.992 -9.295 -3.752 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.805 -11.627 -2.380 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.884 -12.339 -4.553 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.663 -12.379 -4.546 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.807 -11.049 -5.361 1.00 43.43 H new ATOM 339 N GLU A 23 -24.559 -10.550 -2.393 1.00 31.23 N ATOM 340 CA GLU A 23 -23.317 -9.817 -2.219 1.00 5.24 C ATOM 341 C GLU A 23 -22.237 -10.307 -3.169 1.00 11.04 C ATOM 342 O GLU A 23 -22.172 -11.490 -3.505 1.00 5.32 O ATOM 343 CB GLU A 23 -22.831 -9.910 -0.777 1.00 2.23 C ATOM 344 CG GLU A 23 -23.473 -8.878 0.132 1.00 32.11 C ATOM 345 CD GLU A 23 -23.251 -7.461 -0.365 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.301 -7.236 -1.149 1.00 74.04 O ATOM 347 OE2 GLU A 23 -24.024 -6.561 0.025 1.00 2.10 O ATOM 0 H GLU A 23 -24.588 -11.451 -1.916 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.522 -8.773 -2.455 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.042 -10.907 -0.392 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.749 -9.783 -0.755 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -24.543 -9.073 0.202 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -23.064 -8.977 1.138 1.00 32.11 H new ATOM 354 N ILE A 24 -21.389 -9.382 -3.589 1.00 13.41 N ATOM 355 CA ILE A 24 -20.336 -9.670 -4.547 1.00 74.24 C ATOM 356 C ILE A 24 -18.986 -9.764 -3.849 1.00 61.32 C ATOM 357 O ILE A 24 -18.459 -8.764 -3.351 1.00 75.31 O ATOM 358 CB ILE A 24 -20.262 -8.584 -5.651 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.529 -8.569 -6.510 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.042 -8.788 -6.530 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.710 -7.880 -5.859 1.00 33.11 C ATOM 0 H ILE A 24 -21.412 -8.412 -3.275 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.575 -10.627 -5.011 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.179 -7.619 -5.150 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.308 -8.073 -7.455 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -21.807 -9.596 -6.747 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.012 -8.014 -7.297 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.140 -8.730 -5.920 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.096 -9.767 -7.005 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.567 -7.913 -6.532 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.960 -8.389 -4.928 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.454 -6.842 -5.648 1.00 33.11 H new ATOM 373 N THR A 25 -18.438 -10.964 -3.801 1.00 14.02 N ATOM 374 CA THR A 25 -17.128 -11.173 -3.215 1.00 54.43 C ATOM 375 C THR A 25 -16.098 -11.429 -4.312 1.00 60.33 C ATOM 376 O THR A 25 -16.067 -12.504 -4.908 1.00 24.53 O ATOM 377 CB THR A 25 -17.152 -12.360 -2.234 1.00 3.22 C ATOM 378 OG1 THR A 25 -18.267 -12.214 -1.345 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.860 -12.436 -1.430 1.00 30.53 C ATOM 0 H THR A 25 -18.881 -11.809 -4.161 1.00 14.02 H new ATOM 0 HA THR A 25 -16.852 -10.274 -2.665 1.00 54.43 H new ATOM 0 HB THR A 25 -17.248 -13.282 -2.807 1.00 3.22 H new ATOM 0 HG1 THR A 25 -18.199 -12.874 -0.624 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.906 -13.284 -0.746 1.00 30.53 H new ATOM 0 HG22 THR A 25 -15.016 -12.563 -2.108 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.732 -11.516 -0.859 1.00 30.53 H new ATOM 387 N VAL A 26 -15.265 -10.438 -4.583 1.00 74.44 N ATOM 388 CA VAL A 26 -14.289 -10.548 -5.655 1.00 13.43 C ATOM 389 C VAL A 26 -13.011 -11.215 -5.160 1.00 70.34 C ATOM 390 O VAL A 26 -12.290 -10.670 -4.322 1.00 52.34 O ATOM 391 CB VAL A 26 -13.951 -9.170 -6.262 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.981 -9.313 -7.427 1.00 41.35 C ATOM 393 CG2 VAL A 26 -15.220 -8.453 -6.705 1.00 35.24 C ATOM 0 H VAL A 26 -15.244 -9.552 -4.078 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.738 -11.166 -6.433 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.468 -8.569 -5.491 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.758 -8.328 -7.838 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -12.059 -9.778 -7.078 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.431 -9.936 -8.200 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -14.961 -7.483 -7.130 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.734 -9.053 -7.456 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.875 -8.309 -5.846 1.00 35.24 H new ATOM 403 N THR A 27 -12.753 -12.401 -5.677 1.00 53.51 N ATOM 404 CA THR A 27 -11.577 -13.164 -5.309 1.00 3.34 C ATOM 405 C THR A 27 -10.479 -12.977 -6.355 1.00 43.20 C ATOM 406 O THR A 27 -10.674 -13.274 -7.536 1.00 52.12 O ATOM 407 CB THR A 27 -11.928 -14.657 -5.176 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.097 -14.801 -4.354 1.00 55.14 O ATOM 409 CG2 THR A 27 -10.779 -15.445 -4.564 1.00 63.14 C ATOM 0 H THR A 27 -13.352 -12.861 -6.363 1.00 53.51 H new ATOM 0 HA THR A 27 -11.215 -12.802 -4.347 1.00 3.34 H new ATOM 0 HB THR A 27 -12.118 -15.052 -6.174 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.323 -15.751 -4.270 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.060 -16.495 -4.484 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.896 -15.352 -5.197 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.556 -15.053 -3.572 1.00 63.14 H new ATOM 417 N SER A 28 -9.340 -12.458 -5.923 1.00 23.54 N ATOM 418 CA SER A 28 -8.207 -12.249 -6.809 1.00 22.03 C ATOM 419 C SER A 28 -7.317 -13.488 -6.839 1.00 14.30 C ATOM 420 O SER A 28 -6.684 -13.838 -5.843 1.00 32.51 O ATOM 421 CB SER A 28 -7.413 -11.022 -6.352 1.00 23.21 C ATOM 422 OG SER A 28 -7.298 -10.987 -4.936 1.00 51.11 O ATOM 0 H SER A 28 -9.176 -12.172 -4.958 1.00 23.54 H new ATOM 0 HA SER A 28 -8.574 -12.073 -7.820 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.420 -11.040 -6.801 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.905 -10.115 -6.703 1.00 23.21 H new ATOM 0 HG SER A 28 -7.070 -11.881 -4.604 1.00 51.11 H new ATOM 428 N LEU A 29 -7.285 -14.166 -7.978 1.00 60.25 N ATOM 429 CA LEU A 29 -6.475 -15.367 -8.124 1.00 24.55 C ATOM 430 C LEU A 29 -5.071 -14.994 -8.579 1.00 12.10 C ATOM 431 O LEU A 29 -4.734 -15.118 -9.758 1.00 65.12 O ATOM 432 CB LEU A 29 -7.102 -16.355 -9.121 1.00 52.33 C ATOM 433 CG LEU A 29 -8.455 -16.965 -8.725 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.402 -17.531 -7.316 1.00 71.35 C ATOM 435 CD2 LEU A 29 -9.578 -15.945 -8.857 1.00 60.32 C ATOM 0 H LEU A 29 -7.810 -13.905 -8.813 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.427 -15.857 -7.152 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -7.225 -15.844 -10.076 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -6.396 -17.169 -9.284 1.00 52.33 H new ATOM 0 HG LEU A 29 -8.665 -17.784 -9.413 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.372 -17.957 -7.058 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -7.639 -18.308 -7.264 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.157 -16.735 -6.613 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -10.523 -16.405 -8.570 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.376 -15.095 -8.205 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -9.640 -15.603 -9.890 1.00 60.32 H new ATOM 447 N VAL A 30 -4.263 -14.518 -7.644 1.00 4.40 N ATOM 448 CA VAL A 30 -2.914 -14.076 -7.957 1.00 1.44 C ATOM 449 C VAL A 30 -1.965 -15.267 -8.024 1.00 64.14 C ATOM 450 O VAL A 30 -1.395 -15.688 -7.015 1.00 15.34 O ATOM 451 CB VAL A 30 -2.396 -13.048 -6.928 1.00 71.32 C ATOM 452 CG1 VAL A 30 -1.035 -12.505 -7.341 1.00 52.04 C ATOM 453 CG2 VAL A 30 -3.395 -11.912 -6.758 1.00 30.41 C ATOM 0 H VAL A 30 -4.519 -14.428 -6.661 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.949 -13.588 -8.931 1.00 1.44 H new ATOM 0 HB VAL A 30 -2.283 -13.555 -5.970 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.691 -11.783 -6.600 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -0.321 -13.326 -7.406 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.117 -12.017 -8.312 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -3.013 -11.197 -6.029 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.542 -11.411 -7.715 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -4.346 -12.313 -6.408 1.00 30.41 H new ATOM 463 N GLY A 31 -1.839 -15.827 -9.214 1.00 42.32 N ATOM 464 CA GLY A 31 -0.946 -16.946 -9.420 1.00 63.24 C ATOM 465 C GLY A 31 -0.344 -16.932 -10.807 1.00 24.53 C ATOM 466 O GLY A 31 -0.760 -17.700 -11.677 1.00 24.33 O ATOM 0 H GLY A 31 -2.343 -15.524 -10.048 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -0.149 -16.917 -8.677 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -1.490 -17.878 -9.269 1.00 63.24 H new ATOM 470 N ASP A 32 0.614 -16.028 -11.010 1.00 54.21 N ATOM 471 CA ASP A 32 1.317 -15.874 -12.290 1.00 24.22 C ATOM 472 C ASP A 32 0.413 -15.265 -13.358 1.00 21.34 C ATOM 473 O ASP A 32 0.791 -15.179 -14.527 1.00 50.54 O ATOM 474 CB ASP A 32 1.885 -17.213 -12.782 1.00 33.31 C ATOM 475 CG ASP A 32 3.078 -17.679 -11.974 1.00 63.05 C ATOM 476 OD1 ASP A 32 2.883 -18.253 -10.879 1.00 1.50 O ATOM 477 OD2 ASP A 32 4.221 -17.477 -12.434 1.00 71.24 O ATOM 0 H ASP A 32 0.928 -15.377 -10.290 1.00 54.21 H new ATOM 0 HA ASP A 32 2.147 -15.190 -12.114 1.00 24.22 H new ATOM 0 HB2 ASP A 32 1.104 -17.972 -12.738 1.00 33.31 H new ATOM 0 HB3 ASP A 32 2.176 -17.116 -13.828 1.00 33.31 H new ATOM 482 N ASN A 33 -0.771 -14.826 -12.949 1.00 11.01 N ATOM 483 CA ASN A 33 -1.729 -14.220 -13.863 1.00 33.31 C ATOM 484 C ASN A 33 -2.722 -13.369 -13.084 1.00 73.15 C ATOM 485 O ASN A 33 -2.827 -13.491 -11.862 1.00 35.41 O ATOM 486 CB ASN A 33 -2.482 -15.297 -14.661 1.00 23.21 C ATOM 487 CG ASN A 33 -3.508 -16.045 -13.825 1.00 63.34 C ATOM 488 OD1 ASN A 33 -4.674 -15.663 -13.769 1.00 61.15 O ATOM 489 ND2 ASN A 33 -3.081 -17.108 -13.166 1.00 30.04 N ATOM 0 H ASN A 33 -1.092 -14.880 -11.982 1.00 11.01 H new ATOM 0 HA ASN A 33 -1.182 -13.590 -14.564 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.983 -14.830 -15.509 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -1.764 -16.009 -15.068 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -3.728 -17.642 -12.586 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -2.105 -17.394 -13.238 1.00 30.04 H new ATOM 496 N ASN A 34 -3.433 -12.502 -13.791 1.00 61.41 N ATOM 497 CA ASN A 34 -4.469 -11.682 -13.176 1.00 4.13 C ATOM 498 C ASN A 34 -5.852 -12.217 -13.518 1.00 1.44 C ATOM 499 O ASN A 34 -6.480 -11.781 -14.487 1.00 40.12 O ATOM 500 CB ASN A 34 -4.367 -10.217 -13.623 1.00 53.13 C ATOM 501 CG ASN A 34 -3.187 -9.488 -13.014 1.00 60.20 C ATOM 502 OD1 ASN A 34 -3.294 -8.897 -11.938 1.00 22.32 O ATOM 503 ND2 ASN A 34 -2.061 -9.499 -13.709 1.00 24.41 N ATOM 0 H ASN A 34 -3.312 -12.348 -14.792 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.318 -11.728 -12.098 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.287 -10.180 -14.709 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -5.286 -9.697 -13.353 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -1.240 -9.006 -13.358 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -2.014 -10.001 -14.596 1.00 24.41 H new ATOM 510 N HIS A 35 -6.311 -13.189 -12.747 1.00 11.54 N ATOM 511 CA HIS A 35 -7.655 -13.716 -12.921 1.00 21.41 C ATOM 512 C HIS A 35 -8.505 -13.345 -11.719 1.00 54.15 C ATOM 513 O HIS A 35 -8.106 -13.563 -10.576 1.00 54.44 O ATOM 514 CB HIS A 35 -7.641 -15.235 -13.095 1.00 25.33 C ATOM 515 CG HIS A 35 -8.915 -15.777 -13.668 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.998 -16.151 -12.901 1.00 35.21 N ATOM 517 CD2 HIS A 35 -9.273 -15.999 -14.954 1.00 50.13 C ATOM 518 CE1 HIS A 35 -10.963 -16.584 -13.691 1.00 24.43 C ATOM 519 NE2 HIS A 35 -10.550 -16.502 -14.942 1.00 23.03 N ATOM 0 H HIS A 35 -5.776 -13.628 -11.998 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.078 -13.278 -13.825 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -6.811 -15.512 -13.746 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -7.458 -15.703 -12.128 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -8.666 -15.815 -15.828 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -11.928 -16.945 -13.368 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -11.091 -16.769 -15.765 1.00 23.03 H new ATOM 528 N TYR A 36 -9.665 -12.771 -11.973 1.00 43.33 N ATOM 529 CA TYR A 36 -10.564 -12.393 -10.897 1.00 71.31 C ATOM 530 C TYR A 36 -11.865 -13.174 -11.001 1.00 40.50 C ATOM 531 O TYR A 36 -12.495 -13.208 -12.055 1.00 24.43 O ATOM 532 CB TYR A 36 -10.845 -10.890 -10.929 1.00 22.12 C ATOM 533 CG TYR A 36 -9.595 -10.038 -11.013 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.730 -9.928 -9.932 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.282 -9.342 -12.174 1.00 43.30 C ATOM 536 CE1 TYR A 36 -7.587 -9.153 -10.007 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.143 -8.565 -12.258 1.00 62.54 C ATOM 538 CZ TYR A 36 -7.300 -8.472 -11.172 1.00 1.54 C ATOM 539 OH TYR A 36 -6.162 -7.697 -11.253 1.00 12.31 O ATOM 0 H TYR A 36 -10.007 -12.557 -12.910 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.084 -12.632 -9.948 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.484 -10.667 -11.783 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.402 -10.614 -10.034 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.954 -10.457 -9.017 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.941 -9.410 -13.027 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.923 -9.081 -9.158 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -7.914 -8.033 -13.170 1.00 62.54 H new ATOM 0 HH TYR A 36 -5.392 -8.267 -11.457 1.00 12.31 H new ATOM 549 N SER A 37 -12.245 -13.815 -9.910 1.00 2.23 N ATOM 550 CA SER A 37 -13.479 -14.580 -9.869 1.00 21.11 C ATOM 551 C SER A 37 -14.402 -14.016 -8.798 1.00 62.15 C ATOM 552 O SER A 37 -13.974 -13.741 -7.677 1.00 50.13 O ATOM 553 CB SER A 37 -13.183 -16.059 -9.603 1.00 62.23 C ATOM 554 OG SER A 37 -12.367 -16.611 -10.627 1.00 63.00 O ATOM 0 H SER A 37 -11.715 -13.821 -9.038 1.00 2.23 H new ATOM 0 HA SER A 37 -13.976 -14.502 -10.836 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.684 -16.165 -8.640 1.00 62.23 H new ATOM 0 HB3 SER A 37 -14.119 -16.615 -9.541 1.00 62.23 H new ATOM 0 HG SER A 37 -12.928 -17.100 -11.265 1.00 63.00 H new ATOM 560 N ILE A 38 -15.661 -13.833 -9.148 1.00 34.53 N ATOM 561 CA ILE A 38 -16.620 -13.244 -8.235 1.00 12.35 C ATOM 562 C ILE A 38 -17.476 -14.312 -7.573 1.00 21.51 C ATOM 563 O ILE A 38 -18.174 -15.067 -8.244 1.00 24.12 O ATOM 564 CB ILE A 38 -17.530 -12.224 -8.952 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.719 -10.992 -9.359 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.701 -11.832 -8.063 1.00 23.22 C ATOM 567 CD1 ILE A 38 -17.537 -9.929 -10.059 1.00 24.22 C ATOM 0 H ILE A 38 -16.043 -14.084 -10.060 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.048 -12.722 -7.467 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.933 -12.687 -9.853 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.262 -10.559 -8.469 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -15.906 -11.303 -10.015 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.330 -11.112 -8.587 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.287 -12.719 -7.821 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.325 -11.384 -7.143 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -16.895 -9.087 -10.317 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -17.973 -10.345 -10.968 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -18.334 -9.588 -9.397 1.00 24.22 H new ATOM 579 N LYS A 39 -17.402 -14.375 -6.255 1.00 62.41 N ATOM 580 CA LYS A 39 -18.265 -15.247 -5.486 1.00 70.34 C ATOM 581 C LYS A 39 -19.531 -14.505 -5.085 1.00 25.51 C ATOM 582 O LYS A 39 -19.477 -13.469 -4.417 1.00 73.43 O ATOM 583 CB LYS A 39 -17.552 -15.780 -4.241 1.00 35.52 C ATOM 584 CG LYS A 39 -16.492 -16.828 -4.541 1.00 1.32 C ATOM 585 CD LYS A 39 -15.849 -17.356 -3.265 1.00 0.22 C ATOM 586 CE LYS A 39 -16.868 -18.014 -2.338 1.00 64.33 C ATOM 587 NZ LYS A 39 -17.493 -19.222 -2.946 1.00 52.43 N ATOM 0 H LYS A 39 -16.748 -13.828 -5.695 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.529 -16.099 -6.113 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -17.086 -14.946 -3.716 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -18.292 -16.209 -3.566 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -16.942 -17.654 -5.091 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -15.725 -16.397 -5.184 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -15.074 -18.078 -3.522 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.359 -16.536 -2.740 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -16.379 -18.292 -1.404 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -17.646 -17.293 -2.088 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -17.564 -19.973 -2.230 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -18.444 -18.983 -3.293 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -16.908 -19.554 -3.739 1.00 52.43 H new ATOM 601 N VAL A 40 -20.661 -15.034 -5.511 1.00 63.22 N ATOM 602 CA VAL A 40 -21.948 -14.450 -5.197 1.00 35.24 C ATOM 603 C VAL A 40 -22.479 -15.043 -3.898 1.00 33.00 C ATOM 604 O VAL A 40 -22.843 -16.220 -3.837 1.00 4.22 O ATOM 605 CB VAL A 40 -22.960 -14.684 -6.339 1.00 25.43 C ATOM 606 CG1 VAL A 40 -24.290 -14.023 -6.029 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.403 -14.177 -7.663 1.00 42.04 C ATOM 0 H VAL A 40 -20.712 -15.877 -6.082 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.817 -13.374 -5.079 1.00 35.24 H new ATOM 0 HB VAL A 40 -23.129 -15.757 -6.426 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.985 -14.203 -6.849 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.698 -14.441 -5.109 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -24.143 -12.950 -5.906 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -23.131 -14.351 -8.455 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -22.199 -13.109 -7.587 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.480 -14.707 -7.896 1.00 42.04 H new ATOM 617 N ILE A 41 -22.487 -14.229 -2.858 1.00 54.23 N ATOM 618 CA ILE A 41 -22.888 -14.682 -1.536 1.00 33.03 C ATOM 619 C ILE A 41 -24.308 -14.235 -1.219 1.00 40.43 C ATOM 620 O ILE A 41 -24.604 -13.040 -1.179 1.00 0.12 O ATOM 621 CB ILE A 41 -21.926 -14.166 -0.439 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.492 -14.638 -0.714 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.385 -14.623 0.941 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.336 -16.145 -0.760 1.00 73.31 C ATOM 0 H ILE A 41 -22.219 -13.246 -2.903 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.847 -15.771 -1.545 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.940 -13.076 -0.459 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.159 -14.220 -1.664 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.835 -14.239 0.058 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.694 -14.249 1.697 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.384 -14.235 1.139 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.405 -15.712 0.975 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.294 -16.397 -0.959 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.636 -16.571 0.197 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.965 -16.552 -1.552 1.00 73.31 H new ATOM 636 N SER A 42 -25.184 -15.205 -1.019 1.00 20.34 N ATOM 637 CA SER A 42 -26.566 -14.939 -0.664 1.00 24.41 C ATOM 638 C SER A 42 -27.187 -16.189 -0.054 1.00 53.10 C ATOM 639 O SER A 42 -26.869 -17.309 -0.466 1.00 71.22 O ATOM 640 CB SER A 42 -27.362 -14.504 -1.901 1.00 15.34 C ATOM 641 OG SER A 42 -28.712 -14.221 -1.573 1.00 44.11 O ATOM 0 H SER A 42 -24.957 -16.196 -1.098 1.00 20.34 H new ATOM 0 HA SER A 42 -26.595 -14.130 0.066 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.900 -13.620 -2.341 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.326 -15.291 -2.654 1.00 15.34 H new ATOM 0 HG SER A 42 -28.848 -13.251 -1.556 1.00 44.11 H new ATOM 647 N SER A 43 -28.073 -15.998 0.917 1.00 30.43 N ATOM 648 CA SER A 43 -28.743 -17.112 1.575 1.00 73.12 C ATOM 649 C SER A 43 -29.666 -17.848 0.604 1.00 23.01 C ATOM 650 O SER A 43 -30.145 -18.938 0.898 1.00 1.22 O ATOM 651 CB SER A 43 -29.539 -16.606 2.779 1.00 14.53 C ATOM 652 OG SER A 43 -28.703 -15.905 3.688 1.00 21.44 O ATOM 0 H SER A 43 -28.344 -15.079 1.266 1.00 30.43 H new ATOM 0 HA SER A 43 -27.983 -17.814 1.918 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.341 -15.951 2.439 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.009 -17.448 3.288 1.00 14.53 H new ATOM 0 HG SER A 43 -29.237 -15.591 4.448 1.00 21.44 H new ATOM 658 N GLN A 44 -29.896 -17.248 -0.557 1.00 22.21 N ATOM 659 CA GLN A 44 -30.733 -17.857 -1.582 1.00 35.52 C ATOM 660 C GLN A 44 -29.948 -18.911 -2.359 1.00 53.44 C ATOM 661 O GLN A 44 -30.521 -19.709 -3.097 1.00 5.22 O ATOM 662 CB GLN A 44 -31.275 -16.779 -2.519 1.00 53.01 C ATOM 663 CG GLN A 44 -32.028 -15.687 -1.779 1.00 53.14 C ATOM 664 CD GLN A 44 -32.549 -14.592 -2.688 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.979 -14.309 -3.740 1.00 4.51 O ATOM 666 NE2 GLN A 44 -33.641 -13.969 -2.280 1.00 42.54 N ATOM 0 H GLN A 44 -29.513 -16.338 -0.812 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.575 -18.354 -1.101 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.448 -16.334 -3.072 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.937 -17.239 -3.252 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.866 -16.133 -1.243 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.370 -15.245 -1.031 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -34.082 -14.236 -1.400 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -34.043 -13.221 -2.845 1.00 42.54 H new ATOM 675 N PHE A 45 -28.629 -18.913 -2.184 1.00 2.34 N ATOM 676 CA PHE A 45 -27.790 -19.956 -2.760 1.00 54.05 C ATOM 677 C PHE A 45 -27.533 -21.049 -1.727 1.00 52.21 C ATOM 678 O PHE A 45 -27.024 -22.123 -2.049 1.00 54.32 O ATOM 679 CB PHE A 45 -26.457 -19.388 -3.262 1.00 21.10 C ATOM 680 CG PHE A 45 -26.546 -18.660 -4.577 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.764 -19.357 -5.758 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.388 -17.286 -4.641 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.822 -18.697 -6.973 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.451 -16.620 -5.852 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.664 -17.326 -7.022 1.00 32.51 C ATOM 0 H PHE A 45 -28.122 -18.207 -1.650 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.319 -20.380 -3.614 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.060 -18.706 -2.510 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.742 -20.205 -3.361 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.890 -20.429 -5.728 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.213 -16.727 -3.734 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.991 -19.254 -7.883 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.334 -15.547 -5.884 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.707 -16.808 -7.969 1.00 32.51 H new ATOM 695 N GLN A 46 -27.903 -20.772 -0.484 1.00 72.45 N ATOM 696 CA GLN A 46 -27.760 -21.739 0.592 1.00 75.13 C ATOM 697 C GLN A 46 -28.850 -22.795 0.473 1.00 33.34 C ATOM 698 O GLN A 46 -30.024 -22.469 0.302 1.00 13.13 O ATOM 699 CB GLN A 46 -27.849 -21.040 1.952 1.00 64.41 C ATOM 700 CG GLN A 46 -27.673 -21.976 3.144 1.00 21.44 C ATOM 701 CD GLN A 46 -26.258 -22.515 3.272 1.00 44.02 C ATOM 702 OE1 GLN A 46 -25.289 -21.850 2.904 1.00 34.13 O ATOM 703 NE2 GLN A 46 -26.127 -23.726 3.790 1.00 64.01 N ATOM 0 H GLN A 46 -28.306 -19.880 -0.197 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.784 -22.218 0.514 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -27.088 -20.261 1.999 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.817 -20.545 2.032 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -27.938 -21.445 4.058 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.367 -22.811 3.049 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -26.953 -24.247 4.084 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -25.200 -24.138 3.895 1.00 64.01 H new ATOM 712 N GLY A 47 -28.458 -24.054 0.542 1.00 61.23 N ATOM 713 CA GLY A 47 -29.414 -25.135 0.415 1.00 30.52 C ATOM 714 C GLY A 47 -29.440 -25.700 -0.988 1.00 5.25 C ATOM 715 O GLY A 47 -29.841 -26.844 -1.194 1.00 33.03 O ATOM 0 H GLY A 47 -27.492 -24.350 0.684 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.163 -25.927 1.121 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.408 -24.774 0.680 1.00 30.52 H new ATOM 719 N LYS A 48 -29.027 -24.890 -1.955 1.00 74.22 N ATOM 720 CA LYS A 48 -28.879 -25.342 -3.324 1.00 25.13 C ATOM 721 C LYS A 48 -27.812 -26.423 -3.422 1.00 55.24 C ATOM 722 O LYS A 48 -26.829 -26.411 -2.680 1.00 42.13 O ATOM 723 CB LYS A 48 -28.479 -24.167 -4.215 1.00 2.30 C ATOM 724 CG LYS A 48 -29.426 -22.982 -4.156 1.00 31.41 C ATOM 725 CD LYS A 48 -30.687 -23.222 -4.963 1.00 43.32 C ATOM 726 CE LYS A 48 -31.680 -24.115 -4.240 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.819 -24.483 -5.117 1.00 10.22 N ATOM 0 H LYS A 48 -28.788 -23.909 -1.810 1.00 74.22 H new ATOM 0 HA LYS A 48 -29.833 -25.753 -3.653 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -27.481 -23.833 -3.929 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.415 -24.514 -5.246 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.692 -22.782 -3.118 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -28.919 -22.093 -4.532 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.159 -22.265 -5.186 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.422 -23.677 -5.918 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.176 -25.019 -3.898 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.053 -23.603 -3.353 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -33.678 -24.593 -4.542 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.969 -23.735 -5.824 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -32.609 -25.379 -5.601 1.00 10.22 H new ATOM 741 N SER A 49 -28.018 -27.364 -4.322 1.00 13.41 N ATOM 742 CA SER A 49 -26.994 -28.340 -4.636 1.00 51.51 C ATOM 743 C SER A 49 -25.986 -27.716 -5.596 1.00 12.24 C ATOM 744 O SER A 49 -26.312 -26.758 -6.303 1.00 74.40 O ATOM 745 CB SER A 49 -27.628 -29.584 -5.260 1.00 73.24 C ATOM 746 OG SER A 49 -28.673 -30.086 -4.443 1.00 23.44 O ATOM 0 H SER A 49 -28.885 -27.473 -4.848 1.00 13.41 H new ATOM 0 HA SER A 49 -26.481 -28.640 -3.722 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.019 -29.341 -6.248 1.00 73.24 H new ATOM 0 HB3 SER A 49 -26.868 -30.353 -5.398 1.00 73.24 H new ATOM 0 HG SER A 49 -29.064 -30.880 -4.863 1.00 23.44 H new ATOM 752 N LYS A 50 -24.767 -28.248 -5.620 1.00 4.42 N ATOM 753 CA LYS A 50 -23.732 -27.746 -6.517 1.00 71.43 C ATOM 754 C LYS A 50 -24.215 -27.782 -7.960 1.00 23.45 C ATOM 755 O LYS A 50 -24.000 -26.840 -8.722 1.00 32.41 O ATOM 756 CB LYS A 50 -22.444 -28.566 -6.381 1.00 4.10 C ATOM 757 CG LYS A 50 -21.687 -28.305 -5.092 1.00 64.11 C ATOM 758 CD LYS A 50 -20.448 -29.189 -4.954 1.00 23.40 C ATOM 759 CE LYS A 50 -19.447 -28.984 -6.088 1.00 14.31 C ATOM 760 NZ LYS A 50 -19.688 -29.912 -7.230 1.00 52.11 N ATOM 0 H LYS A 50 -24.473 -29.026 -5.029 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.519 -26.714 -6.238 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.691 -29.626 -6.438 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -21.792 -28.344 -7.226 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.388 -27.257 -5.055 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.349 -28.478 -4.244 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -19.960 -28.978 -4.002 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.754 -30.235 -4.930 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -19.507 -27.954 -6.441 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -18.436 -29.133 -5.709 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -19.433 -29.440 -8.121 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -19.106 -30.766 -7.112 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -20.693 -30.178 -7.255 1.00 52.11 H new ATOM 774 N LEU A 51 -24.888 -28.866 -8.316 1.00 35.35 N ATOM 775 CA LEU A 51 -25.388 -29.051 -9.669 1.00 23.42 C ATOM 776 C LEU A 51 -26.413 -27.961 -10.006 1.00 5.20 C ATOM 777 O LEU A 51 -26.380 -27.395 -11.100 1.00 63.51 O ATOM 778 CB LEU A 51 -25.996 -30.459 -9.805 1.00 12.31 C ATOM 779 CG LEU A 51 -26.281 -30.957 -11.233 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.561 -30.344 -11.788 1.00 43.12 C ATOM 781 CD2 LEU A 51 -25.102 -30.659 -12.150 1.00 32.51 C ATOM 0 H LEU A 51 -25.101 -29.635 -7.681 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.566 -28.964 -10.380 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -25.321 -31.168 -9.326 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.931 -30.481 -9.245 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.421 -32.037 -11.188 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -27.734 -30.716 -12.798 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -28.402 -30.619 -11.151 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.464 -29.259 -11.813 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.323 -31.019 -13.155 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -24.927 -29.584 -12.180 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -24.211 -31.161 -11.772 1.00 32.51 H new ATOM 793 N GLU A 52 -27.298 -27.657 -9.052 1.00 71.20 N ATOM 794 CA GLU A 52 -28.290 -26.595 -9.226 1.00 3.31 C ATOM 795 C GLU A 52 -27.610 -25.279 -9.565 1.00 30.12 C ATOM 796 O GLU A 52 -27.943 -24.633 -10.560 1.00 1.51 O ATOM 797 CB GLU A 52 -29.121 -26.395 -7.956 1.00 30.33 C ATOM 798 CG GLU A 52 -30.080 -27.524 -7.637 1.00 23.32 C ATOM 799 CD GLU A 52 -30.949 -27.201 -6.437 1.00 25.24 C ATOM 800 OE1 GLU A 52 -32.042 -26.621 -6.624 1.00 61.13 O ATOM 801 OE2 GLU A 52 -30.535 -27.505 -5.301 1.00 33.02 O ATOM 0 H GLU A 52 -27.347 -28.133 -8.151 1.00 71.20 H new ATOM 0 HA GLU A 52 -28.945 -26.900 -10.042 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.443 -26.264 -7.113 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -29.690 -25.471 -8.054 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.713 -27.719 -8.503 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -29.516 -28.436 -7.443 1.00 23.32 H new ATOM 808 N GLN A 53 -26.644 -24.899 -8.733 1.00 12.11 N ATOM 809 CA GLN A 53 -25.932 -23.641 -8.904 1.00 42.34 C ATOM 810 C GLN A 53 -25.229 -23.600 -10.256 1.00 43.01 C ATOM 811 O GLN A 53 -25.252 -22.586 -10.948 1.00 50.30 O ATOM 812 CB GLN A 53 -24.921 -23.437 -7.775 1.00 43.04 C ATOM 813 CG GLN A 53 -25.534 -23.525 -6.383 1.00 62.32 C ATOM 814 CD GLN A 53 -24.535 -23.236 -5.280 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.334 -23.462 -5.433 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.028 -22.750 -4.152 1.00 33.33 N ATOM 0 H GLN A 53 -26.337 -25.449 -7.931 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.661 -22.831 -8.868 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.134 -24.186 -7.864 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.448 -22.462 -7.894 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.362 -22.820 -6.311 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -25.951 -24.522 -6.237 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.030 -22.577 -4.066 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.406 -22.549 -3.369 1.00 33.33 H new ATOM 825 N HIS A 54 -24.629 -24.718 -10.641 1.00 11.40 N ATOM 826 CA HIS A 54 -23.924 -24.792 -11.911 1.00 50.22 C ATOM 827 C HIS A 54 -24.879 -24.619 -13.082 1.00 75.33 C ATOM 828 O HIS A 54 -24.551 -23.940 -14.048 1.00 22.05 O ATOM 829 CB HIS A 54 -23.158 -26.110 -12.038 1.00 60.03 C ATOM 830 CG HIS A 54 -22.022 -26.216 -11.075 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.737 -27.362 -10.368 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.106 -25.299 -10.684 1.00 72.31 C ATOM 833 CE1 HIS A 54 -20.704 -27.146 -9.584 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.297 -25.902 -9.758 1.00 73.11 N ATOM 0 H HIS A 54 -24.617 -25.580 -10.096 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.205 -23.973 -11.935 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.845 -26.941 -11.875 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.776 -26.206 -13.054 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.028 -24.281 -11.037 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.262 -27.866 -8.910 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.510 -25.462 -9.281 1.00 73.11 H new ATOM 843 N ARG A 55 -26.061 -25.217 -12.987 1.00 60.31 N ATOM 844 CA ARG A 55 -27.064 -25.087 -14.040 1.00 40.14 C ATOM 845 C ARG A 55 -27.576 -23.660 -14.141 1.00 43.34 C ATOM 846 O ARG A 55 -27.611 -23.087 -15.231 1.00 3.25 O ATOM 847 CB ARG A 55 -28.248 -26.024 -13.809 1.00 52.11 C ATOM 848 CG ARG A 55 -27.939 -27.482 -14.106 1.00 35.13 C ATOM 849 CD ARG A 55 -29.209 -28.299 -14.283 1.00 61.41 C ATOM 850 NE ARG A 55 -29.930 -27.927 -15.501 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.056 -28.511 -15.912 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.632 -29.457 -15.178 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.614 -28.141 -17.057 1.00 52.14 N ATOM 0 H ARG A 55 -26.348 -25.794 -12.196 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.572 -25.361 -14.973 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.574 -25.935 -12.773 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.081 -25.703 -14.434 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.334 -27.549 -15.010 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.346 -27.902 -13.293 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -28.957 -29.359 -14.319 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -29.857 -28.155 -13.419 1.00 61.41 H new ATOM 0 HE ARG A 55 -29.547 -27.173 -16.072 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.213 -29.742 -14.293 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.493 -29.899 -15.500 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.182 -27.410 -17.622 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -32.475 -28.587 -17.372 1.00 52.14 H new ATOM 867 N MET A 56 -27.967 -23.085 -13.008 1.00 5.13 N ATOM 868 CA MET A 56 -28.541 -21.747 -13.008 1.00 13.24 C ATOM 869 C MET A 56 -27.527 -20.724 -13.519 1.00 73.24 C ATOM 870 O MET A 56 -27.874 -19.822 -14.282 1.00 12.14 O ATOM 871 CB MET A 56 -29.064 -21.358 -11.612 1.00 12.34 C ATOM 872 CG MET A 56 -27.996 -21.242 -10.539 1.00 75.15 C ATOM 873 SD MET A 56 -28.688 -20.957 -8.898 1.00 61.02 S ATOM 874 CE MET A 56 -29.621 -19.453 -9.181 1.00 11.14 C ATOM 0 H MET A 56 -27.897 -23.520 -12.088 1.00 5.13 H new ATOM 0 HA MET A 56 -29.394 -21.750 -13.687 1.00 13.24 H new ATOM 0 HB2 MET A 56 -29.587 -20.405 -11.688 1.00 12.34 H new ATOM 0 HB3 MET A 56 -29.798 -22.099 -11.295 1.00 12.34 H new ATOM 0 HG2 MET A 56 -27.400 -22.155 -10.524 1.00 75.15 H new ATOM 0 HG3 MET A 56 -27.320 -20.425 -10.791 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.855 -18.985 -8.225 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.029 -18.766 -9.787 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.547 -19.692 -9.704 1.00 11.14 H new ATOM 884 N ILE A 57 -26.268 -20.886 -13.134 1.00 55.45 N ATOM 885 CA ILE A 57 -25.212 -19.999 -13.605 1.00 13.21 C ATOM 886 C ILE A 57 -24.945 -20.228 -15.095 1.00 34.43 C ATOM 887 O ILE A 57 -24.813 -19.279 -15.866 1.00 62.10 O ATOM 888 CB ILE A 57 -23.905 -20.199 -12.799 1.00 42.03 C ATOM 889 CG1 ILE A 57 -24.116 -19.816 -11.327 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.758 -19.400 -13.403 1.00 32.31 C ATOM 891 CD1 ILE A 57 -24.650 -18.414 -11.126 1.00 2.10 C ATOM 0 H ILE A 57 -25.954 -21.620 -12.499 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.551 -18.974 -13.455 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.638 -21.255 -12.847 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.808 -20.526 -10.873 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.168 -19.912 -10.798 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.854 -19.560 -12.816 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.587 -19.727 -14.429 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -23.011 -18.340 -13.398 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -24.772 -18.220 -10.060 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -23.949 -17.694 -11.548 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -25.614 -18.317 -11.625 1.00 2.10 H new ATOM 903 N TYR A 58 -24.902 -21.497 -15.487 1.00 15.22 N ATOM 904 CA TYR A 58 -24.671 -21.888 -16.875 1.00 4.35 C ATOM 905 C TYR A 58 -25.730 -21.274 -17.792 1.00 73.40 C ATOM 906 O TYR A 58 -25.438 -20.854 -18.916 1.00 43.54 O ATOM 907 CB TYR A 58 -24.707 -23.419 -16.970 1.00 3.41 C ATOM 908 CG TYR A 58 -24.268 -23.996 -18.294 1.00 74.31 C ATOM 909 CD1 TYR A 58 -22.945 -23.910 -18.707 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.170 -24.657 -19.116 1.00 0.24 C ATOM 911 CE1 TYR A 58 -22.536 -24.460 -19.904 1.00 75.23 C ATOM 912 CE2 TYR A 58 -24.768 -25.206 -20.317 1.00 44.13 C ATOM 913 CZ TYR A 58 -23.451 -25.109 -20.706 1.00 54.23 C ATOM 914 OH TYR A 58 -23.046 -25.668 -21.898 1.00 40.03 O ATOM 0 H TYR A 58 -25.026 -22.285 -14.851 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.696 -21.522 -17.197 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.072 -23.830 -16.185 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.724 -23.755 -16.766 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.225 -23.404 -18.081 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.203 -24.743 -18.811 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -21.504 -24.383 -20.212 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -25.484 -25.710 -20.949 1.00 44.13 H new ATOM 0 HH TYR A 58 -23.813 -26.088 -22.340 1.00 40.03 H new ATOM 924 N LYS A 59 -26.957 -21.206 -17.294 1.00 73.42 N ATOM 925 CA LYS A 59 -28.075 -20.693 -18.074 1.00 51.11 C ATOM 926 C LYS A 59 -28.084 -19.165 -18.094 1.00 44.10 C ATOM 927 O LYS A 59 -28.164 -18.551 -19.161 1.00 22.41 O ATOM 928 CB LYS A 59 -29.392 -21.218 -17.498 1.00 13.12 C ATOM 929 CG LYS A 59 -30.572 -21.076 -18.446 1.00 73.15 C ATOM 930 CD LYS A 59 -31.853 -21.624 -17.835 1.00 61.04 C ATOM 931 CE LYS A 59 -32.394 -20.715 -16.742 1.00 2.45 C ATOM 932 NZ LYS A 59 -32.897 -19.427 -17.291 1.00 73.34 N ATOM 0 H LYS A 59 -27.204 -21.501 -16.349 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.962 -21.041 -19.101 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.271 -22.269 -17.237 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.613 -20.684 -16.574 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.710 -20.025 -18.700 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.358 -21.603 -19.376 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -32.606 -21.742 -18.615 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.663 -22.615 -17.422 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -33.200 -21.223 -16.213 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -31.609 -20.517 -16.013 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -33.479 -18.948 -16.575 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.092 -18.820 -17.545 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -33.472 -19.611 -18.138 1.00 73.34 H new ATOM 946 N VAL A 60 -27.987 -18.556 -16.915 1.00 40.42 N ATOM 947 CA VAL A 60 -28.083 -17.101 -16.787 1.00 13.04 C ATOM 948 C VAL A 60 -26.905 -16.392 -17.452 1.00 62.12 C ATOM 949 O VAL A 60 -27.076 -15.346 -18.079 1.00 21.20 O ATOM 950 CB VAL A 60 -28.179 -16.670 -15.304 1.00 40.25 C ATOM 951 CG1 VAL A 60 -28.104 -15.158 -15.160 1.00 54.03 C ATOM 952 CG2 VAL A 60 -29.463 -17.193 -14.683 1.00 74.32 C ATOM 0 H VAL A 60 -27.842 -19.047 -16.033 1.00 40.42 H new ATOM 0 HA VAL A 60 -28.997 -16.805 -17.301 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.328 -17.101 -14.776 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -28.174 -14.889 -14.106 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -27.156 -14.801 -15.563 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -28.927 -14.699 -15.707 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -29.516 -16.882 -13.640 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -30.319 -16.792 -15.225 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -29.477 -18.282 -14.738 1.00 74.32 H new ATOM 962 N LEU A 61 -25.716 -16.967 -17.332 1.00 32.20 N ATOM 963 CA LEU A 61 -24.517 -16.359 -17.905 1.00 23.13 C ATOM 964 C LEU A 61 -24.442 -16.599 -19.410 1.00 43.05 C ATOM 965 O LEU A 61 -23.511 -16.135 -20.071 1.00 70.44 O ATOM 966 CB LEU A 61 -23.250 -16.872 -17.209 1.00 21.35 C ATOM 967 CG LEU A 61 -22.865 -16.141 -15.913 1.00 63.31 C ATOM 968 CD1 LEU A 61 -22.564 -14.677 -16.199 1.00 14.42 C ATOM 969 CD2 LEU A 61 -23.962 -16.262 -14.863 1.00 52.20 C ATOM 0 H LEU A 61 -25.553 -17.849 -16.846 1.00 32.20 H new ATOM 0 HA LEU A 61 -24.582 -15.284 -17.739 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -23.384 -17.930 -16.983 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -22.417 -16.798 -17.908 1.00 21.35 H new ATOM 0 HG LEU A 61 -21.967 -16.614 -15.516 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -22.293 -14.173 -15.271 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -21.737 -14.607 -16.905 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -23.447 -14.201 -16.626 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -23.659 -15.735 -13.958 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -24.883 -15.824 -15.247 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -24.129 -17.314 -14.631 1.00 52.20 H new ATOM 981 N ASP A 62 -25.419 -17.346 -19.931 1.00 51.31 N ATOM 982 CA ASP A 62 -25.591 -17.542 -21.375 1.00 11.45 C ATOM 983 C ASP A 62 -24.339 -18.154 -22.009 1.00 35.13 C ATOM 984 O ASP A 62 -24.048 -17.942 -23.185 1.00 45.22 O ATOM 985 CB ASP A 62 -25.938 -16.202 -22.042 1.00 14.42 C ATOM 986 CG ASP A 62 -26.532 -16.361 -23.429 1.00 30.25 C ATOM 987 OD1 ASP A 62 -27.648 -16.917 -23.542 1.00 3.33 O ATOM 988 OD2 ASP A 62 -25.899 -15.921 -24.411 1.00 64.21 O ATOM 0 H ASP A 62 -26.114 -17.833 -19.364 1.00 51.31 H new ATOM 0 HA ASP A 62 -26.411 -18.243 -21.532 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -26.644 -15.662 -21.411 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -25.037 -15.592 -22.107 1.00 14.42 H new ATOM 993 N GLY A 63 -23.615 -18.941 -21.226 1.00 4.15 N ATOM 994 CA GLY A 63 -22.402 -19.552 -21.713 1.00 43.43 C ATOM 995 C GLY A 63 -22.626 -20.996 -22.093 1.00 33.13 C ATOM 996 O GLY A 63 -22.893 -21.833 -21.235 1.00 43.24 O ATOM 0 H GLY A 63 -23.850 -19.166 -20.259 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.036 -18.999 -22.578 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.629 -19.492 -20.947 1.00 43.43 H new ATOM 1000 N LEU A 64 -22.542 -21.284 -23.376 1.00 51.34 N ATOM 1001 CA LEU A 64 -22.744 -22.643 -23.860 1.00 3.45 C ATOM 1002 C LEU A 64 -21.396 -23.303 -24.129 1.00 42.35 C ATOM 1003 O LEU A 64 -20.659 -22.881 -25.020 1.00 0.34 O ATOM 1004 CB LEU A 64 -23.618 -22.632 -25.125 1.00 54.54 C ATOM 1005 CG LEU A 64 -24.206 -23.986 -25.553 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -25.405 -23.769 -26.459 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -23.169 -24.838 -26.274 1.00 63.23 C ATOM 0 H LEU A 64 -22.336 -20.600 -24.104 1.00 51.34 H new ATOM 0 HA LEU A 64 -23.264 -23.223 -23.097 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -24.441 -21.935 -24.967 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -23.023 -22.240 -25.950 1.00 54.54 H new ATOM 0 HG LEU A 64 -24.517 -24.515 -24.652 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -25.815 -24.734 -26.757 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -26.166 -23.201 -25.925 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -25.095 -23.216 -27.346 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -23.617 -25.789 -26.563 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -22.823 -24.314 -27.165 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -22.324 -25.022 -25.610 1.00 63.23 H new ATOM 1019 N ASN A 65 -21.092 -24.332 -23.340 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.838 -25.080 -23.450 1.00 60.20 C ATOM 1021 C ASN A 65 -18.627 -24.154 -23.337 1.00 64.31 C ATOM 1022 O ASN A 65 -18.015 -23.766 -24.337 1.00 34.35 O ATOM 1023 CB ASN A 65 -19.795 -25.888 -24.756 1.00 11.43 C ATOM 1024 CG ASN A 65 -18.587 -26.805 -24.846 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.607 -27.931 -24.344 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -17.532 -26.344 -25.500 1.00 54.41 N ATOM 0 H ASN A 65 -21.710 -24.673 -22.603 1.00 64.21 H new ATOM 0 HA ASN A 65 -19.795 -25.782 -22.617 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -20.704 -26.484 -24.838 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -19.787 -25.201 -25.602 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -16.700 -26.926 -25.601 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -17.551 -25.407 -25.903 1.00 54.41 H new ATOM 1033 N ILE A 66 -18.312 -23.778 -22.106 1.00 12.30 N ATOM 1034 CA ILE A 66 -17.188 -22.898 -21.830 1.00 41.44 C ATOM 1035 C ILE A 66 -16.817 -22.973 -20.350 1.00 2.50 C ATOM 1036 O ILE A 66 -17.691 -23.049 -19.483 1.00 31.11 O ATOM 1037 CB ILE A 66 -17.507 -21.430 -22.227 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -16.304 -20.511 -21.971 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -18.740 -20.921 -21.489 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -15.104 -20.823 -22.841 1.00 65.41 C ATOM 0 H ILE A 66 -18.826 -24.073 -21.275 1.00 12.30 H new ATOM 0 HA ILE A 66 -16.343 -23.232 -22.432 1.00 41.44 H new ATOM 0 HB ILE A 66 -17.719 -21.415 -23.296 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -16.605 -19.477 -22.140 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -16.013 -20.591 -20.924 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -18.942 -19.891 -21.785 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -19.598 -21.545 -21.740 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -18.563 -20.962 -20.414 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -14.294 -20.134 -22.604 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -14.776 -21.846 -22.655 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -15.377 -20.714 -23.891 1.00 65.41 H new ATOM 1052 N HIS A 67 -15.523 -22.989 -20.064 1.00 15.31 N ATOM 1053 CA HIS A 67 -15.050 -22.984 -18.686 1.00 41.12 C ATOM 1054 C HIS A 67 -14.963 -21.560 -18.165 1.00 13.15 C ATOM 1055 O HIS A 67 -13.878 -20.993 -18.033 1.00 11.25 O ATOM 1056 CB HIS A 67 -13.689 -23.678 -18.558 1.00 61.24 C ATOM 1057 CG HIS A 67 -13.744 -25.162 -18.755 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -13.697 -25.757 -19.994 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -13.838 -26.170 -17.859 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -13.757 -27.066 -19.853 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -13.842 -27.346 -18.566 1.00 5.34 N ATOM 0 H HIS A 67 -14.783 -23.006 -20.766 1.00 15.31 H new ATOM 0 HA HIS A 67 -15.768 -23.541 -18.085 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.003 -23.249 -19.289 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.276 -23.467 -17.572 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -13.899 -26.068 -16.786 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -13.740 -27.788 -20.656 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -13.901 -28.281 -18.164 1.00 5.34 H new ATOM 1070 N ALA A 68 -16.118 -20.978 -17.893 1.00 1.04 N ATOM 1071 CA ALA A 68 -16.184 -19.614 -17.405 1.00 21.21 C ATOM 1072 C ALA A 68 -16.153 -19.582 -15.885 1.00 64.03 C ATOM 1073 O ALA A 68 -17.182 -19.413 -15.235 1.00 11.40 O ATOM 1074 CB ALA A 68 -17.428 -18.911 -17.930 1.00 11.23 C ATOM 0 H ALA A 68 -17.025 -21.432 -18.003 1.00 1.04 H new ATOM 0 HA ALA A 68 -15.309 -19.081 -17.776 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -17.456 -17.889 -17.551 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -17.403 -18.893 -19.020 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -18.317 -19.446 -17.596 1.00 11.23 H new ATOM 1080 N ILE A 69 -14.966 -19.756 -15.323 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.781 -19.738 -13.872 1.00 0.05 C ATOM 1082 C ILE A 69 -14.704 -18.302 -13.353 1.00 34.51 C ATOM 1083 O ILE A 69 -13.943 -17.990 -12.433 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.506 -20.504 -13.460 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -12.289 -19.973 -14.224 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -13.688 -21.995 -13.706 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -10.979 -20.600 -13.797 1.00 43.35 C ATOM 0 H ILE A 69 -14.108 -19.913 -15.851 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.644 -20.234 -13.428 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.332 -20.347 -12.395 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.435 -20.149 -15.290 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -12.227 -18.894 -14.085 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -12.782 -22.526 -13.412 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -14.530 -22.361 -13.118 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -13.882 -22.168 -14.765 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -10.164 -20.174 -14.382 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -10.808 -20.402 -12.739 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -11.020 -21.677 -13.962 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.517 -17.438 -13.940 1.00 62.22 N ATOM 1100 CA GLN A 70 -15.509 -16.024 -13.609 1.00 45.13 C ATOM 1101 C GLN A 70 -16.474 -15.748 -12.460 1.00 54.23 C ATOM 1102 O GLN A 70 -16.269 -14.830 -11.669 1.00 20.23 O ATOM 1103 CB GLN A 70 -15.889 -15.211 -14.850 1.00 3.32 C ATOM 1104 CG GLN A 70 -15.615 -13.720 -14.729 1.00 45.50 C ATOM 1105 CD GLN A 70 -15.970 -12.968 -15.994 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -17.092 -12.488 -16.152 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -15.020 -12.870 -16.911 1.00 43.43 N ATOM 0 H GLN A 70 -16.197 -17.696 -14.655 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.510 -15.729 -13.288 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.341 -15.601 -15.707 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -16.949 -15.358 -15.056 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -16.187 -13.314 -13.895 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -14.561 -13.564 -14.499 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -14.103 -13.282 -16.741 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -15.206 -12.382 -17.787 1.00 43.43 H new ATOM 1116 N ILE A 71 -17.512 -16.567 -12.362 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.498 -16.428 -11.302 1.00 32.34 C ATOM 1118 C ILE A 71 -18.606 -17.716 -10.489 1.00 21.45 C ATOM 1119 O ILE A 71 -18.746 -18.807 -11.040 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.892 -16.029 -11.856 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.951 -16.081 -10.742 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -20.286 -16.927 -13.020 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -22.339 -15.630 -11.170 1.00 61.50 C ATOM 0 H ILE A 71 -17.692 -17.337 -13.007 1.00 33.52 H new ATOM 0 HA ILE A 71 -18.155 -15.624 -10.650 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.835 -15.005 -12.224 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.014 -17.102 -10.366 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.619 -15.456 -9.913 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -21.266 -16.630 -13.393 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -19.550 -16.832 -13.818 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -20.325 -17.963 -12.683 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -23.021 -15.699 -10.323 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -22.295 -14.598 -11.517 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -22.697 -16.269 -11.977 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.512 -17.572 -9.179 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.657 -18.685 -8.258 1.00 11.31 C ATOM 1137 C GLN A 72 -19.751 -18.364 -7.255 1.00 41.51 C ATOM 1138 O GLN A 72 -19.959 -17.205 -6.909 1.00 30.42 O ATOM 1139 CB GLN A 72 -17.337 -18.951 -7.534 1.00 73.05 C ATOM 1140 CG GLN A 72 -16.338 -19.760 -8.349 1.00 75.12 C ATOM 1141 CD GLN A 72 -16.632 -21.247 -8.319 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -17.376 -21.772 -9.148 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -16.041 -21.935 -7.357 1.00 23.21 N ATOM 0 H GLN A 72 -18.332 -16.677 -8.723 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.928 -19.582 -8.815 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.883 -17.997 -7.264 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.544 -19.480 -6.604 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -16.350 -19.411 -9.382 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.333 -19.584 -7.965 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -15.432 -21.460 -6.691 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -16.194 -22.941 -7.281 1.00 23.21 H new ATOM 1152 N THR A 73 -20.457 -19.373 -6.799 1.00 51.10 N ATOM 1153 CA THR A 73 -21.537 -19.160 -5.858 1.00 71.51 C ATOM 1154 C THR A 73 -21.168 -19.674 -4.470 1.00 31.34 C ATOM 1155 O THR A 73 -20.023 -20.069 -4.227 1.00 0.24 O ATOM 1156 CB THR A 73 -22.820 -19.844 -6.354 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.513 -21.156 -6.842 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.468 -19.020 -7.456 1.00 60.22 C ATOM 0 H THR A 73 -20.305 -20.347 -7.062 1.00 51.10 H new ATOM 0 HA THR A 73 -21.713 -18.087 -5.786 1.00 71.51 H new ATOM 0 HB THR A 73 -23.519 -19.924 -5.522 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.744 -21.821 -6.160 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.376 -19.518 -7.797 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.719 -18.031 -7.071 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.774 -18.919 -8.291 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.127 -19.637 -3.555 1.00 12.20 N ATOM 1167 CA GLY A 74 -21.902 -20.167 -2.229 1.00 10.41 C ATOM 1168 C GLY A 74 -22.367 -21.601 -2.117 1.00 15.25 C ATOM 1169 O GLY A 74 -23.553 -21.859 -1.925 1.00 44.31 O ATOM 0 H GLY A 74 -23.057 -19.248 -3.710 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -20.841 -20.108 -1.988 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.429 -19.555 -1.497 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.443 -22.534 -2.270 1.00 41.31 N ATOM 1174 CA CYS A 75 -21.762 -23.946 -2.139 1.00 31.41 C ATOM 1175 C CYS A 75 -21.805 -24.338 -0.666 1.00 22.14 C ATOM 1176 O CYS A 75 -21.170 -23.690 0.170 1.00 42.21 O ATOM 1177 CB CYS A 75 -20.726 -24.796 -2.877 1.00 54.21 C ATOM 1178 SG CYS A 75 -20.574 -24.401 -4.633 1.00 1.04 S ATOM 0 H CYS A 75 -20.465 -22.339 -2.485 1.00 41.31 H new ATOM 0 HA CYS A 75 -22.741 -24.125 -2.583 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -19.755 -24.664 -2.399 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -20.992 -25.848 -2.773 1.00 54.21 H new ATOM 0 HG CYS A 75 -21.688 -23.885 -5.060 1.00 1.04 H new ATOM 1184 N LYS A 76 -22.562 -25.387 -0.358 1.00 72.44 N ATOM 1185 CA LYS A 76 -22.691 -25.871 1.012 1.00 24.13 C ATOM 1186 C LYS A 76 -21.359 -26.398 1.537 1.00 65.44 C ATOM 1187 O LYS A 76 -20.629 -25.620 2.182 1.00 51.21 O ATOM 1188 CB LYS A 76 -23.760 -26.965 1.105 1.00 54.32 C ATOM 1189 CG LYS A 76 -23.698 -27.991 -0.019 1.00 62.33 C ATOM 1190 CD LYS A 76 -24.301 -29.323 0.401 1.00 31.01 C ATOM 1191 CE LYS A 76 -23.259 -30.255 1.012 1.00 51.33 C ATOM 1192 NZ LYS A 76 -22.580 -29.663 2.197 1.00 72.41 N ATOM 1193 OXT LYS A 76 -21.044 -27.583 1.291 1.00 0.00 O ATOM 0 H LYS A 76 -23.098 -25.920 -1.043 1.00 72.44 H new ATOM 0 HA LYS A 76 -22.997 -25.028 1.631 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -23.655 -27.481 2.060 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -24.745 -26.497 1.102 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -24.230 -27.609 -0.890 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -22.661 -28.140 -0.319 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -25.099 -29.148 1.123 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -24.755 -29.805 -0.465 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -23.740 -31.189 1.303 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -22.513 -30.503 0.257 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -21.971 -30.379 2.642 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -22.000 -28.854 1.896 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -23.294 -29.342 2.882 1.00 72.41 H new TER 1207 LYS A 76