USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1117 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00462) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.0705 USER MOD Single : A 15 SER OG : rot 48:sc= 0.104 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.293 F(o=-1.1,f=-0.29) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.255 K(o=0.26,f=-4.6!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.105 F(o=-1.5!,f=-0.1) USER MOD Single : A 72 THR OG1 : rot -70:sc= 0.999 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -2.04! (180deg=-3.41!) USER MOD Single : A 80 SER OG : rot -150:sc= 0 USER MOD Single : A 86 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 93:sc= 1.11 USER MOD Single : A 96 THR OG1 : rot 4:sc= 1.2 USER MOD Single : A 99 MET CE :methyl -166:sc= -0.984 (180deg=-1.16) USER MOD Single : A 104 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 108 SER OG : rot 101:sc= 0.482 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 25:sc= 0.114 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.474 K(o=-0.47,f=-3!) USER MOD Single : A 130 HIS : no HE2:sc= -0.0238 K(o=-0.024,f=-0.77) USER MOD Single : A 132 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 133 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.9) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.694 F(o=-1.8!,f=-0.69) USER MOD Single : A 144 MET CE :methyl -171:sc=-0.00998 (180deg=-0.16) USER MOD Single : A 146 TYR OH : rot -137:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.349 -15.656 27.750 1.00 0.00 N ATOM 2 CA MET A 1 3.920 -14.398 28.225 1.00 52.33 C ATOM 3 C MET A 1 2.905 -13.680 29.099 1.00 23.33 C ATOM 4 O MET A 1 1.758 -13.510 28.684 1.00 72.44 O ATOM 5 CB MET A 1 4.322 -13.496 27.041 1.00 20.01 C ATOM 6 CG MET A 1 5.517 -13.990 26.236 1.00 11.05 C ATOM 7 SD MET A 1 5.907 -12.910 24.842 1.00 45.13 S ATOM 8 CE MET A 1 7.332 -13.755 24.155 1.00 23.35 C ATOM 0 H1 MET A 1 4.055 -16.164 27.180 1.00 0.00 H new ATOM 0 H2 MET A 1 3.075 -16.242 28.564 1.00 0.00 H new ATOM 0 H3 MET A 1 2.510 -15.459 27.167 1.00 0.00 H new ATOM 0 HA MET A 1 4.815 -14.618 28.806 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.467 -13.397 26.372 1.00 20.01 H new ATOM 0 HB3 MET A 1 4.546 -12.499 27.422 1.00 20.01 H new ATOM 0 HG2 MET A 1 6.386 -14.062 26.890 1.00 11.05 H new ATOM 0 HG3 MET A 1 5.312 -14.995 25.867 1.00 11.05 H new ATOM 0 HE1 MET A 1 7.693 -13.210 23.283 1.00 23.35 H new ATOM 0 HE2 MET A 1 8.122 -13.804 24.904 1.00 23.35 H new ATOM 0 HE3 MET A 1 7.048 -14.765 23.860 1.00 23.35 H new ATOM 18 N PRO A 2 3.281 -13.265 30.332 1.00 63.50 N ATOM 19 CA PRO A 2 2.375 -12.556 31.221 1.00 73.52 C ATOM 20 C PRO A 2 2.244 -11.105 30.789 1.00 4.32 C ATOM 21 O PRO A 2 3.250 -10.379 30.672 1.00 24.33 O ATOM 22 CB PRO A 2 3.048 -12.644 32.607 1.00 1.31 C ATOM 23 CG PRO A 2 4.290 -13.456 32.414 1.00 25.24 C ATOM 24 CD PRO A 2 4.604 -13.428 30.946 1.00 65.11 C ATOM 0 HA PRO A 2 1.371 -12.979 31.219 1.00 73.52 H new ATOM 0 HB2 PRO A 2 3.287 -11.651 32.988 1.00 1.31 H new ATOM 0 HB3 PRO A 2 2.384 -13.113 33.333 1.00 1.31 H new ATOM 0 HG2 PRO A 2 5.116 -13.043 32.994 1.00 25.24 H new ATOM 0 HG3 PRO A 2 4.140 -14.479 32.758 1.00 25.24 H new ATOM 0 HD2 PRO A 2 5.272 -12.605 30.691 1.00 65.11 H new ATOM 0 HD3 PRO A 2 5.091 -14.347 30.619 1.00 65.11 H new ATOM 32 N GLY A 3 1.051 -10.691 30.525 1.00 53.23 N ATOM 33 CA GLY A 3 0.820 -9.360 30.091 1.00 14.44 C ATOM 34 C GLY A 3 -0.629 -9.033 30.151 1.00 51.13 C ATOM 35 O GLY A 3 -1.458 -9.794 29.630 1.00 4.34 O ATOM 0 H GLY A 3 0.212 -11.266 30.604 1.00 53.23 H new ATOM 0 HA2 GLY A 3 1.381 -8.666 30.716 1.00 14.44 H new ATOM 0 HA3 GLY A 3 1.184 -9.236 29.071 1.00 14.44 H new ATOM 39 N ARG A 4 -0.954 -7.960 30.825 1.00 65.50 N ATOM 40 CA ARG A 4 -2.320 -7.521 30.915 1.00 43.35 C ATOM 41 C ARG A 4 -2.734 -6.911 29.586 1.00 63.13 C ATOM 42 O ARG A 4 -1.935 -6.213 28.938 1.00 64.04 O ATOM 43 CB ARG A 4 -2.524 -6.533 32.085 1.00 75.11 C ATOM 44 CG ARG A 4 -1.800 -5.206 31.944 1.00 60.32 C ATOM 45 CD ARG A 4 -1.982 -4.351 33.182 1.00 64.43 C ATOM 46 NE ARG A 4 -1.365 -3.028 33.033 1.00 30.43 N ATOM 47 CZ ARG A 4 -0.808 -2.322 34.022 1.00 44.20 C ATOM 48 NH1 ARG A 4 -0.646 -2.858 35.229 1.00 4.42 N ATOM 49 NH2 ARG A 4 -0.382 -1.087 33.794 1.00 33.43 N ATOM 0 H ARG A 4 -0.285 -7.372 31.322 1.00 65.50 H new ATOM 0 HA ARG A 4 -2.957 -8.380 31.125 1.00 43.35 H new ATOM 0 HB2 ARG A 4 -3.591 -6.337 32.192 1.00 75.11 H new ATOM 0 HB3 ARG A 4 -2.194 -7.013 33.006 1.00 75.11 H new ATOM 0 HG2 ARG A 4 -0.738 -5.384 31.774 1.00 60.32 H new ATOM 0 HG3 ARG A 4 -2.178 -4.673 31.071 1.00 60.32 H new ATOM 0 HD2 ARG A 4 -3.046 -4.234 33.388 1.00 64.43 H new ATOM 0 HD3 ARG A 4 -1.545 -4.860 34.041 1.00 64.43 H new ATOM 0 HE ARG A 4 -1.361 -2.614 32.101 1.00 30.43 H new ATOM 0 HH11 ARG A 4 -0.948 -3.816 35.406 1.00 4.42 H new ATOM 0 HH12 ARG A 4 -0.220 -2.311 35.977 1.00 4.42 H new ATOM 0 HH21 ARG A 4 -0.480 -0.677 32.865 1.00 33.43 H new ATOM 0 HH22 ARG A 4 0.043 -0.547 34.548 1.00 33.43 H new ATOM 63 N ALA A 5 -3.929 -7.198 29.162 1.00 1.30 N ATOM 64 CA ALA A 5 -4.428 -6.670 27.919 1.00 32.54 C ATOM 65 C ALA A 5 -4.963 -5.269 28.153 1.00 14.04 C ATOM 66 O ALA A 5 -5.832 -5.076 29.011 1.00 43.04 O ATOM 67 CB ALA A 5 -5.519 -7.572 27.357 1.00 4.45 C ATOM 0 H ALA A 5 -4.584 -7.800 29.661 1.00 1.30 H new ATOM 0 HA ALA A 5 -3.618 -6.630 27.191 1.00 32.54 H new ATOM 0 HB1 ALA A 5 -5.885 -7.158 26.417 1.00 4.45 H new ATOM 0 HB2 ALA A 5 -5.113 -8.568 27.181 1.00 4.45 H new ATOM 0 HB3 ALA A 5 -6.341 -7.636 28.070 1.00 4.45 H new ATOM 73 N PRO A 6 -4.420 -4.264 27.456 1.00 23.41 N ATOM 74 CA PRO A 6 -4.883 -2.901 27.599 1.00 32.24 C ATOM 75 C PRO A 6 -6.301 -2.749 27.051 1.00 64.14 C ATOM 76 O PRO A 6 -6.566 -3.035 25.866 1.00 5.42 O ATOM 77 CB PRO A 6 -3.882 -2.059 26.792 1.00 64.20 C ATOM 78 CG PRO A 6 -3.190 -3.011 25.875 1.00 61.31 C ATOM 79 CD PRO A 6 -3.309 -4.384 26.483 1.00 11.02 C ATOM 0 HA PRO A 6 -4.929 -2.588 28.642 1.00 32.24 H new ATOM 0 HB2 PRO A 6 -4.393 -1.278 26.230 1.00 64.20 H new ATOM 0 HB3 PRO A 6 -3.169 -1.563 27.451 1.00 64.20 H new ATOM 0 HG2 PRO A 6 -3.644 -2.989 24.884 1.00 61.31 H new ATOM 0 HG3 PRO A 6 -2.143 -2.734 25.752 1.00 61.31 H new ATOM 0 HD2 PRO A 6 -3.525 -5.137 25.725 1.00 11.02 H new ATOM 0 HD3 PRO A 6 -2.382 -4.683 26.973 1.00 11.02 H new ATOM 87 N GLY A 7 -7.211 -2.357 27.914 1.00 61.53 N ATOM 88 CA GLY A 7 -8.582 -2.176 27.519 1.00 44.14 C ATOM 89 C GLY A 7 -8.746 -0.944 26.697 1.00 71.04 C ATOM 90 O GLY A 7 -9.433 -0.952 25.669 1.00 61.55 O ATOM 0 H GLY A 7 -7.022 -2.158 28.896 1.00 61.53 H new ATOM 0 HA2 GLY A 7 -8.917 -3.043 26.950 1.00 44.14 H new ATOM 0 HA3 GLY A 7 -9.213 -2.112 28.405 1.00 44.14 H new ATOM 94 N SER A 8 -8.103 0.113 27.135 1.00 41.34 N ATOM 95 CA SER A 8 -8.117 1.353 26.425 1.00 11.44 C ATOM 96 C SER A 8 -7.308 1.217 25.128 1.00 14.12 C ATOM 97 O SER A 8 -6.076 1.225 25.140 1.00 72.14 O ATOM 98 CB SER A 8 -7.557 2.453 27.318 1.00 2.22 C ATOM 99 OG SER A 8 -8.267 2.495 28.559 1.00 25.33 O ATOM 0 H SER A 8 -7.557 0.129 27.996 1.00 41.34 H new ATOM 0 HA SER A 8 -9.140 1.618 26.156 1.00 11.44 H new ATOM 0 HB2 SER A 8 -6.498 2.276 27.503 1.00 2.22 H new ATOM 0 HB3 SER A 8 -7.636 3.416 26.813 1.00 2.22 H new ATOM 0 HG SER A 8 -7.896 3.205 29.124 1.00 25.33 H new ATOM 105 N THR A 9 -8.006 1.028 24.047 1.00 42.43 N ATOM 106 CA THR A 9 -7.407 0.850 22.755 1.00 34.31 C ATOM 107 C THR A 9 -7.935 1.955 21.845 1.00 42.33 C ATOM 108 O THR A 9 -9.113 2.306 21.938 1.00 63.20 O ATOM 109 CB THR A 9 -7.801 -0.543 22.187 1.00 72.20 C ATOM 110 OG1 THR A 9 -7.508 -1.564 23.168 1.00 1.33 O ATOM 111 CG2 THR A 9 -7.039 -0.854 20.907 1.00 43.33 C ATOM 0 H THR A 9 -9.025 0.992 24.037 1.00 42.43 H new ATOM 0 HA THR A 9 -6.320 0.901 22.821 1.00 34.31 H new ATOM 0 HB THR A 9 -8.867 -0.527 21.961 1.00 72.20 H new ATOM 0 HG1 THR A 9 -8.153 -1.506 23.903 1.00 1.33 H new ATOM 0 HG21 THR A 9 -7.337 -1.834 20.535 1.00 43.33 H new ATOM 0 HG22 THR A 9 -7.265 -0.097 20.156 1.00 43.33 H new ATOM 0 HG23 THR A 9 -5.968 -0.854 21.112 1.00 43.33 H new ATOM 119 N LEU A 10 -7.087 2.537 21.023 1.00 71.31 N ATOM 120 CA LEU A 10 -7.520 3.588 20.126 1.00 3.42 C ATOM 121 C LEU A 10 -8.194 2.986 18.926 1.00 21.41 C ATOM 122 O LEU A 10 -7.811 1.910 18.467 1.00 24.14 O ATOM 123 CB LEU A 10 -6.359 4.466 19.674 1.00 34.50 C ATOM 124 CG LEU A 10 -5.612 5.236 20.761 1.00 60.45 C ATOM 125 CD1 LEU A 10 -4.520 6.065 20.128 1.00 3.14 C ATOM 126 CD2 LEU A 10 -6.560 6.130 21.553 1.00 72.51 C ATOM 0 H LEU A 10 -6.097 2.301 20.957 1.00 71.31 H new ATOM 0 HA LEU A 10 -8.222 4.219 20.672 1.00 3.42 H new ATOM 0 HB2 LEU A 10 -5.641 3.835 19.150 1.00 34.50 H new ATOM 0 HB3 LEU A 10 -6.740 5.186 18.949 1.00 34.50 H new ATOM 0 HG LEU A 10 -5.172 4.520 21.455 1.00 60.45 H new ATOM 0 HD11 LEU A 10 -3.986 6.615 20.902 1.00 3.14 H new ATOM 0 HD12 LEU A 10 -3.825 5.410 19.603 1.00 3.14 H new ATOM 0 HD13 LEU A 10 -4.960 6.768 19.421 1.00 3.14 H new ATOM 0 HD21 LEU A 10 -6.000 6.666 22.320 1.00 72.51 H new ATOM 0 HD22 LEU A 10 -7.031 6.847 20.880 1.00 72.51 H new ATOM 0 HD23 LEU A 10 -7.328 5.518 22.026 1.00 72.51 H new ATOM 138 N ALA A 11 -9.176 3.669 18.420 1.00 20.50 N ATOM 139 CA ALA A 11 -9.930 3.188 17.294 1.00 5.33 C ATOM 140 C ALA A 11 -9.229 3.565 16.015 1.00 51.11 C ATOM 141 O ALA A 11 -8.569 4.605 15.943 1.00 0.51 O ATOM 142 CB ALA A 11 -11.335 3.756 17.312 1.00 44.11 C ATOM 0 H ALA A 11 -9.480 4.576 18.774 1.00 20.50 H new ATOM 0 HA ALA A 11 -10.001 2.102 17.355 1.00 5.33 H new ATOM 0 HB1 ALA A 11 -11.890 3.381 16.452 1.00 44.11 H new ATOM 0 HB2 ALA A 11 -11.838 3.452 18.230 1.00 44.11 H new ATOM 0 HB3 ALA A 11 -11.288 4.844 17.267 1.00 44.11 H new ATOM 148 N ARG A 12 -9.334 2.724 15.028 1.00 24.15 N ATOM 149 CA ARG A 12 -8.728 2.989 13.752 1.00 22.53 C ATOM 150 C ARG A 12 -9.821 3.192 12.736 1.00 14.51 C ATOM 151 O ARG A 12 -10.549 2.257 12.412 1.00 54.11 O ATOM 152 CB ARG A 12 -7.798 1.844 13.267 1.00 64.02 C ATOM 153 CG ARG A 12 -6.568 1.512 14.130 1.00 40.11 C ATOM 154 CD ARG A 12 -6.943 0.855 15.449 1.00 52.32 C ATOM 155 NE ARG A 12 -7.799 -0.325 15.244 1.00 14.02 N ATOM 156 CZ ARG A 12 -8.550 -0.913 16.190 1.00 45.13 C ATOM 157 NH1 ARG A 12 -8.521 -0.483 17.447 1.00 4.33 N ATOM 158 NH2 ARG A 12 -9.336 -1.927 15.874 1.00 63.23 N ATOM 0 H ARG A 12 -9.839 1.839 15.082 1.00 24.15 H new ATOM 0 HA ARG A 12 -8.108 3.879 13.864 1.00 22.53 H new ATOM 0 HB2 ARG A 12 -8.399 0.939 13.176 1.00 64.02 H new ATOM 0 HB3 ARG A 12 -7.448 2.097 12.266 1.00 64.02 H new ATOM 0 HG2 ARG A 12 -5.905 0.849 13.573 1.00 40.11 H new ATOM 0 HG3 ARG A 12 -6.010 2.427 14.329 1.00 40.11 H new ATOM 0 HD2 ARG A 12 -6.038 0.560 15.979 1.00 52.32 H new ATOM 0 HD3 ARG A 12 -7.462 1.576 16.080 1.00 52.32 H new ATOM 0 HE ARG A 12 -7.824 -0.729 14.308 1.00 14.02 H new ATOM 0 HH11 ARG A 12 -7.923 0.303 17.704 1.00 4.33 H new ATOM 0 HH12 ARG A 12 -9.096 -0.939 18.155 1.00 4.33 H new ATOM 0 HH21 ARG A 12 -9.373 -2.263 14.912 1.00 63.23 H new ATOM 0 HH22 ARG A 12 -9.906 -2.373 16.592 1.00 63.23 H new ATOM 172 N VAL A 13 -9.997 4.409 12.318 1.00 71.11 N ATOM 173 CA VAL A 13 -10.924 4.738 11.267 1.00 22.04 C ATOM 174 C VAL A 13 -10.222 5.616 10.252 1.00 64.32 C ATOM 175 O VAL A 13 -9.875 6.770 10.527 1.00 51.02 O ATOM 176 CB VAL A 13 -12.268 5.394 11.770 1.00 25.22 C ATOM 177 CG1 VAL A 13 -13.142 4.366 12.472 1.00 61.23 C ATOM 178 CG2 VAL A 13 -12.011 6.567 12.714 1.00 54.13 C ATOM 0 H VAL A 13 -9.498 5.213 12.698 1.00 71.11 H new ATOM 0 HA VAL A 13 -11.236 3.802 10.805 1.00 22.04 H new ATOM 0 HB VAL A 13 -12.785 5.770 10.887 1.00 25.22 H new ATOM 0 HG11 VAL A 13 -14.063 4.841 12.810 1.00 61.23 H new ATOM 0 HG12 VAL A 13 -13.383 3.560 11.779 1.00 61.23 H new ATOM 0 HG13 VAL A 13 -12.607 3.959 13.330 1.00 61.23 H new ATOM 0 HG21 VAL A 13 -12.963 6.990 13.037 1.00 54.13 H new ATOM 0 HG22 VAL A 13 -11.455 6.219 13.584 1.00 54.13 H new ATOM 0 HG23 VAL A 13 -11.432 7.331 12.196 1.00 54.13 H new ATOM 188 N GLY A 14 -9.968 5.071 9.107 1.00 2.14 N ATOM 189 CA GLY A 14 -9.267 5.796 8.110 1.00 45.24 C ATOM 190 C GLY A 14 -9.720 5.416 6.752 1.00 35.02 C ATOM 191 O GLY A 14 -9.332 4.377 6.238 1.00 64.32 O ATOM 0 H GLY A 14 -10.238 4.124 8.843 1.00 2.14 H new ATOM 0 HA2 GLY A 14 -9.418 6.865 8.261 1.00 45.24 H new ATOM 0 HA3 GLY A 14 -8.197 5.609 8.205 1.00 45.24 H new ATOM 195 N SER A 15 -10.576 6.220 6.186 1.00 34.00 N ATOM 196 CA SER A 15 -11.043 5.998 4.853 1.00 24.42 C ATOM 197 C SER A 15 -9.924 6.328 3.868 1.00 44.41 C ATOM 198 O SER A 15 -9.666 7.505 3.562 1.00 13.15 O ATOM 199 CB SER A 15 -12.298 6.838 4.617 1.00 53.12 C ATOM 200 OG SER A 15 -12.115 8.160 5.139 1.00 4.40 O ATOM 0 H SER A 15 -10.967 7.046 6.638 1.00 34.00 H new ATOM 0 HA SER A 15 -11.314 4.953 4.702 1.00 24.42 H new ATOM 0 HB2 SER A 15 -12.516 6.888 3.550 1.00 53.12 H new ATOM 0 HB3 SER A 15 -13.156 6.366 5.096 1.00 53.12 H new ATOM 0 HG SER A 15 -11.252 8.514 4.839 1.00 4.40 H new ATOM 206 N ILE A 16 -9.198 5.307 3.475 1.00 30.33 N ATOM 207 CA ILE A 16 -8.077 5.457 2.588 1.00 1.31 C ATOM 208 C ILE A 16 -8.560 5.485 1.139 1.00 1.11 C ATOM 209 O ILE A 16 -9.263 4.559 0.685 1.00 24.44 O ATOM 210 CB ILE A 16 -7.058 4.288 2.775 1.00 30.10 C ATOM 211 CG1 ILE A 16 -6.575 4.185 4.242 1.00 54.25 C ATOM 212 CG2 ILE A 16 -5.867 4.428 1.829 1.00 73.21 C ATOM 213 CD1 ILE A 16 -5.861 5.420 4.770 1.00 22.24 C ATOM 0 H ILE A 16 -9.373 4.345 3.766 1.00 30.33 H new ATOM 0 HA ILE A 16 -7.578 6.396 2.826 1.00 1.31 H new ATOM 0 HB ILE A 16 -7.582 3.365 2.526 1.00 30.10 H new ATOM 0 HG12 ILE A 16 -7.436 3.981 4.879 1.00 54.25 H new ATOM 0 HG13 ILE A 16 -5.904 3.330 4.329 1.00 54.25 H new ATOM 0 HG21 ILE A 16 -5.178 3.598 1.986 1.00 73.21 H new ATOM 0 HG22 ILE A 16 -6.219 4.417 0.797 1.00 73.21 H new ATOM 0 HG23 ILE A 16 -5.353 5.369 2.028 1.00 73.21 H new ATOM 0 HD11 ILE A 16 -5.561 5.252 5.804 1.00 22.24 H new ATOM 0 HD12 ILE A 16 -4.977 5.617 4.163 1.00 22.24 H new ATOM 0 HD13 ILE A 16 -6.533 6.277 4.722 1.00 22.24 H new ATOM 225 N PRO A 17 -8.272 6.570 0.422 1.00 31.03 N ATOM 226 CA PRO A 17 -8.567 6.668 -0.993 1.00 75.11 C ATOM 227 C PRO A 17 -7.551 5.872 -1.814 1.00 23.51 C ATOM 228 O PRO A 17 -6.518 5.467 -1.293 1.00 20.24 O ATOM 229 CB PRO A 17 -8.446 8.165 -1.279 1.00 22.34 C ATOM 230 CG PRO A 17 -7.461 8.666 -0.279 1.00 12.31 C ATOM 231 CD PRO A 17 -7.611 7.797 0.938 1.00 42.55 C ATOM 0 HA PRO A 17 -9.545 6.264 -1.254 1.00 75.11 H new ATOM 0 HB2 PRO A 17 -8.103 8.347 -2.297 1.00 22.34 H new ATOM 0 HB3 PRO A 17 -9.408 8.667 -1.173 1.00 22.34 H new ATOM 0 HG2 PRO A 17 -6.446 8.611 -0.673 1.00 12.31 H new ATOM 0 HG3 PRO A 17 -7.652 9.711 -0.036 1.00 12.31 H new ATOM 0 HD2 PRO A 17 -6.645 7.571 1.389 1.00 42.55 H new ATOM 0 HD3 PRO A 17 -8.214 8.284 1.704 1.00 42.55 H new ATOM 239 N ALA A 18 -7.859 5.625 -3.053 1.00 31.20 N ATOM 240 CA ALA A 18 -6.928 4.978 -3.942 1.00 30.33 C ATOM 241 C ALA A 18 -6.709 5.886 -5.128 1.00 54.54 C ATOM 242 O ALA A 18 -7.682 6.284 -5.799 1.00 65.23 O ATOM 243 CB ALA A 18 -7.473 3.629 -4.393 1.00 21.33 C ATOM 0 H ALA A 18 -8.755 5.863 -3.478 1.00 31.20 H new ATOM 0 HA ALA A 18 -5.983 4.796 -3.431 1.00 30.33 H new ATOM 0 HB1 ALA A 18 -6.758 3.153 -5.064 1.00 21.33 H new ATOM 0 HB2 ALA A 18 -7.633 2.992 -3.523 1.00 21.33 H new ATOM 0 HB3 ALA A 18 -8.419 3.775 -4.915 1.00 21.33 H new ATOM 249 N GLY A 19 -5.481 6.232 -5.387 1.00 65.52 N ATOM 250 CA GLY A 19 -5.194 7.119 -6.471 1.00 32.02 C ATOM 251 C GLY A 19 -4.600 6.418 -7.652 1.00 42.15 C ATOM 252 O GLY A 19 -5.330 5.987 -8.566 1.00 54.15 O ATOM 0 H GLY A 19 -4.666 5.913 -4.863 1.00 65.52 H new ATOM 0 HA2 GLY A 19 -6.112 7.621 -6.776 1.00 32.02 H new ATOM 0 HA3 GLY A 19 -4.506 7.892 -6.129 1.00 32.02 H new ATOM 256 N ASP A 20 -3.296 6.271 -7.640 1.00 33.21 N ATOM 257 CA ASP A 20 -2.592 5.691 -8.764 1.00 74.23 C ATOM 258 C ASP A 20 -1.698 4.550 -8.319 1.00 42.14 C ATOM 259 O ASP A 20 -1.140 4.577 -7.224 1.00 35.23 O ATOM 260 CB ASP A 20 -1.775 6.766 -9.496 1.00 62.42 C ATOM 261 CG ASP A 20 -1.038 6.230 -10.702 1.00 1.33 C ATOM 262 OD1 ASP A 20 -1.694 5.751 -11.661 1.00 60.44 O ATOM 263 OD2 ASP A 20 0.198 6.272 -10.726 1.00 40.23 O ATOM 0 H ASP A 20 -2.697 6.546 -6.861 1.00 33.21 H new ATOM 0 HA ASP A 20 -3.331 5.286 -9.455 1.00 74.23 H new ATOM 0 HB2 ASP A 20 -2.442 7.569 -9.812 1.00 62.42 H new ATOM 0 HB3 ASP A 20 -1.056 7.203 -8.803 1.00 62.42 H new ATOM 268 N ASP A 21 -1.611 3.543 -9.142 1.00 71.31 N ATOM 269 CA ASP A 21 -0.798 2.365 -8.868 1.00 71.24 C ATOM 270 C ASP A 21 0.690 2.627 -9.071 1.00 50.12 C ATOM 271 O ASP A 21 1.110 3.278 -10.046 1.00 52.13 O ATOM 272 CB ASP A 21 -1.264 1.185 -9.712 1.00 41.14 C ATOM 273 CG ASP A 21 -0.337 -0.001 -9.627 1.00 72.41 C ATOM 274 OD1 ASP A 21 0.135 -0.322 -8.504 1.00 23.11 O ATOM 275 OD2 ASP A 21 -0.068 -0.609 -10.679 1.00 22.00 O ATOM 0 H ASP A 21 -2.103 3.505 -10.035 1.00 71.31 H new ATOM 0 HA ASP A 21 -0.933 2.117 -7.815 1.00 71.24 H new ATOM 0 HB2 ASP A 21 -2.260 0.885 -9.388 1.00 41.14 H new ATOM 0 HB3 ASP A 21 -1.348 1.500 -10.752 1.00 41.14 H new ATOM 280 N VAL A 22 1.480 2.094 -8.172 1.00 10.43 N ATOM 281 CA VAL A 22 2.905 2.287 -8.168 1.00 64.14 C ATOM 282 C VAL A 22 3.639 0.971 -8.494 1.00 32.35 C ATOM 283 O VAL A 22 4.815 0.981 -8.859 1.00 20.24 O ATOM 284 CB VAL A 22 3.383 2.889 -6.802 1.00 12.11 C ATOM 285 CG1 VAL A 22 4.890 3.099 -6.750 1.00 74.11 C ATOM 286 CG2 VAL A 22 2.678 4.208 -6.539 1.00 13.24 C ATOM 0 H VAL A 22 1.143 1.504 -7.411 1.00 10.43 H new ATOM 0 HA VAL A 22 3.155 3.005 -8.949 1.00 64.14 H new ATOM 0 HB VAL A 22 3.126 2.165 -6.029 1.00 12.11 H new ATOM 0 HG11 VAL A 22 5.166 3.518 -5.782 1.00 74.11 H new ATOM 0 HG12 VAL A 22 5.396 2.143 -6.889 1.00 74.11 H new ATOM 0 HG13 VAL A 22 5.189 3.786 -7.541 1.00 74.11 H new ATOM 0 HG21 VAL A 22 3.017 4.618 -5.588 1.00 13.24 H new ATOM 0 HG22 VAL A 22 2.909 4.910 -7.340 1.00 13.24 H new ATOM 0 HG23 VAL A 22 1.601 4.044 -6.500 1.00 13.24 H new ATOM 296 N LEU A 23 2.954 -0.156 -8.428 1.00 62.40 N ATOM 297 CA LEU A 23 3.625 -1.401 -8.730 1.00 65.10 C ATOM 298 C LEU A 23 3.404 -1.820 -10.166 1.00 10.10 C ATOM 299 O LEU A 23 2.828 -1.079 -10.967 1.00 13.21 O ATOM 300 CB LEU A 23 3.337 -2.554 -7.707 1.00 41.12 C ATOM 301 CG LEU A 23 1.878 -2.920 -7.325 1.00 24.10 C ATOM 302 CD1 LEU A 23 1.045 -3.337 -8.528 1.00 20.23 C ATOM 303 CD2 LEU A 23 1.885 -4.050 -6.311 1.00 24.23 C ATOM 0 H LEU A 23 1.968 -0.234 -8.177 1.00 62.40 H new ATOM 0 HA LEU A 23 4.689 -1.198 -8.611 1.00 65.10 H new ATOM 0 HB2 LEU A 23 3.803 -3.457 -8.100 1.00 41.12 H new ATOM 0 HB3 LEU A 23 3.858 -2.303 -6.783 1.00 41.12 H new ATOM 0 HG LEU A 23 1.423 -2.024 -6.903 1.00 24.10 H new ATOM 0 HD11 LEU A 23 0.034 -3.582 -8.203 1.00 20.23 H new ATOM 0 HD12 LEU A 23 1.007 -2.518 -9.246 1.00 20.23 H new ATOM 0 HD13 LEU A 23 1.497 -4.211 -8.998 1.00 20.23 H new ATOM 0 HD21 LEU A 23 0.860 -4.306 -6.044 1.00 24.23 H new ATOM 0 HD22 LEU A 23 2.376 -4.923 -6.742 1.00 24.23 H new ATOM 0 HD23 LEU A 23 2.424 -3.734 -5.418 1.00 24.23 H new ATOM 315 N ASP A 24 3.963 -2.929 -10.523 1.00 31.20 N ATOM 316 CA ASP A 24 3.740 -3.486 -11.815 1.00 62.24 C ATOM 317 C ASP A 24 2.836 -4.684 -11.658 1.00 60.43 C ATOM 318 O ASP A 24 3.038 -5.465 -10.727 1.00 73.52 O ATOM 319 CB ASP A 24 5.052 -3.882 -12.482 1.00 24.52 C ATOM 320 CG ASP A 24 4.847 -4.311 -13.902 1.00 25.12 C ATOM 321 OD1 ASP A 24 4.708 -3.438 -14.769 1.00 60.05 O ATOM 322 OD2 ASP A 24 4.823 -5.515 -14.181 1.00 12.42 O ATOM 0 H ASP A 24 4.587 -3.474 -9.927 1.00 31.20 H new ATOM 0 HA ASP A 24 3.270 -2.742 -12.459 1.00 62.24 H new ATOM 0 HB2 ASP A 24 5.743 -3.040 -12.453 1.00 24.52 H new ATOM 0 HB3 ASP A 24 5.515 -4.693 -11.920 1.00 24.52 H new ATOM 327 N PRO A 25 1.827 -4.859 -12.540 1.00 4.45 N ATOM 328 CA PRO A 25 0.881 -5.993 -12.485 1.00 13.32 C ATOM 329 C PRO A 25 1.559 -7.382 -12.435 1.00 62.55 C ATOM 330 O PRO A 25 0.942 -8.366 -12.026 1.00 14.33 O ATOM 331 CB PRO A 25 0.051 -5.848 -13.774 1.00 35.51 C ATOM 332 CG PRO A 25 0.774 -4.840 -14.603 1.00 25.30 C ATOM 333 CD PRO A 25 1.479 -3.942 -13.637 1.00 1.00 C ATOM 0 HA PRO A 25 0.293 -5.953 -11.568 1.00 13.32 H new ATOM 0 HB2 PRO A 25 -0.031 -6.801 -14.297 1.00 35.51 H new ATOM 0 HB3 PRO A 25 -0.964 -5.518 -13.552 1.00 35.51 H new ATOM 0 HG2 PRO A 25 1.483 -5.324 -15.275 1.00 25.30 H new ATOM 0 HG3 PRO A 25 0.079 -4.276 -15.225 1.00 25.30 H new ATOM 0 HD2 PRO A 25 2.364 -3.486 -14.080 1.00 1.00 H new ATOM 0 HD3 PRO A 25 0.837 -3.129 -13.297 1.00 1.00 H new ATOM 341 N ASP A 26 2.810 -7.459 -12.875 1.00 23.30 N ATOM 342 CA ASP A 26 3.565 -8.722 -12.861 1.00 52.54 C ATOM 343 C ASP A 26 3.983 -9.111 -11.439 1.00 2.13 C ATOM 344 O ASP A 26 4.286 -10.280 -11.158 1.00 54.52 O ATOM 345 CB ASP A 26 4.800 -8.618 -13.758 1.00 43.21 C ATOM 346 CG ASP A 26 5.626 -9.891 -13.821 1.00 64.13 C ATOM 347 OD1 ASP A 26 5.283 -10.790 -14.602 1.00 25.35 O ATOM 348 OD2 ASP A 26 6.646 -10.006 -13.100 1.00 2.32 O ATOM 0 H ASP A 26 3.330 -6.664 -13.248 1.00 23.30 H new ATOM 0 HA ASP A 26 2.908 -9.502 -13.246 1.00 52.54 H new ATOM 0 HB2 ASP A 26 4.483 -8.353 -14.766 1.00 43.21 H new ATOM 0 HB3 ASP A 26 5.431 -7.805 -13.398 1.00 43.21 H new ATOM 353 N GLU A 27 3.987 -8.154 -10.547 1.00 54.51 N ATOM 354 CA GLU A 27 4.366 -8.411 -9.179 1.00 51.40 C ATOM 355 C GLU A 27 3.136 -8.838 -8.364 1.00 21.13 C ATOM 356 O GLU A 27 2.019 -8.545 -8.768 1.00 1.35 O ATOM 357 CB GLU A 27 5.077 -7.195 -8.573 1.00 72.42 C ATOM 358 CG GLU A 27 6.326 -6.809 -9.347 1.00 75.32 C ATOM 359 CD GLU A 27 7.285 -5.992 -8.540 1.00 14.53 C ATOM 360 OE1 GLU A 27 8.005 -6.572 -7.704 1.00 52.44 O ATOM 361 OE2 GLU A 27 7.372 -4.759 -8.730 1.00 70.11 O ATOM 0 H GLU A 27 3.731 -7.186 -10.743 1.00 54.51 H new ATOM 0 HA GLU A 27 5.079 -9.235 -9.152 1.00 51.40 H new ATOM 0 HB2 GLU A 27 4.390 -6.349 -8.552 1.00 72.42 H new ATOM 0 HB3 GLU A 27 5.346 -7.413 -7.539 1.00 72.42 H new ATOM 0 HG2 GLU A 27 6.828 -7.714 -9.691 1.00 75.32 H new ATOM 0 HG3 GLU A 27 6.037 -6.248 -10.235 1.00 75.32 H new ATOM 368 N PRO A 28 3.329 -9.604 -7.254 1.00 22.13 N ATOM 369 CA PRO A 28 2.233 -10.097 -6.387 1.00 32.43 C ATOM 370 C PRO A 28 1.167 -9.033 -6.008 1.00 34.51 C ATOM 371 O PRO A 28 1.419 -8.101 -5.213 1.00 40.43 O ATOM 372 CB PRO A 28 2.967 -10.615 -5.126 1.00 12.44 C ATOM 373 CG PRO A 28 4.402 -10.223 -5.299 1.00 54.30 C ATOM 374 CD PRO A 28 4.628 -10.095 -6.770 1.00 50.25 C ATOM 0 HA PRO A 28 1.649 -10.854 -6.911 1.00 32.43 H new ATOM 0 HB2 PRO A 28 2.548 -10.175 -4.221 1.00 12.44 H new ATOM 0 HB3 PRO A 28 2.866 -11.696 -5.031 1.00 12.44 H new ATOM 0 HG2 PRO A 28 4.612 -9.282 -4.790 1.00 54.30 H new ATOM 0 HG3 PRO A 28 5.065 -10.973 -4.868 1.00 54.30 H new ATOM 0 HD2 PRO A 28 5.435 -9.398 -6.997 1.00 50.25 H new ATOM 0 HD3 PRO A 28 4.895 -11.050 -7.223 1.00 50.25 H new ATOM 382 N THR A 29 -0.017 -9.198 -6.557 1.00 32.35 N ATOM 383 CA THR A 29 -1.131 -8.299 -6.352 1.00 75.41 C ATOM 384 C THR A 29 -2.354 -9.062 -5.840 1.00 22.52 C ATOM 385 O THR A 29 -2.353 -10.294 -5.786 1.00 24.04 O ATOM 386 CB THR A 29 -1.520 -7.628 -7.692 1.00 41.30 C ATOM 387 OG1 THR A 29 -1.673 -8.641 -8.707 1.00 72.11 O ATOM 388 CG2 THR A 29 -0.484 -6.611 -8.133 1.00 3.43 C ATOM 0 H THR A 29 -0.237 -9.980 -7.173 1.00 32.35 H new ATOM 0 HA THR A 29 -0.826 -7.551 -5.620 1.00 75.41 H new ATOM 0 HB THR A 29 -2.461 -7.099 -7.545 1.00 41.30 H new ATOM 0 HG1 THR A 29 -1.921 -8.219 -9.556 1.00 72.11 H new ATOM 0 HG21 THR A 29 -0.793 -6.162 -9.077 1.00 3.43 H new ATOM 0 HG22 THR A 29 -0.392 -5.833 -7.375 1.00 3.43 H new ATOM 0 HG23 THR A 29 0.478 -7.106 -8.264 1.00 3.43 H new ATOM 396 N TYR A 30 -3.330 -8.325 -5.378 1.00 43.44 N ATOM 397 CA TYR A 30 -4.639 -8.821 -5.064 1.00 70.30 C ATOM 398 C TYR A 30 -5.651 -7.910 -5.700 1.00 22.25 C ATOM 399 O TYR A 30 -5.353 -6.744 -5.954 1.00 42.42 O ATOM 400 CB TYR A 30 -4.912 -8.897 -3.563 1.00 33.52 C ATOM 401 CG TYR A 30 -4.341 -10.094 -2.858 1.00 63.10 C ATOM 402 CD1 TYR A 30 -4.552 -11.374 -3.349 1.00 72.21 C ATOM 403 CD2 TYR A 30 -3.612 -9.952 -1.698 1.00 1.12 C ATOM 404 CE1 TYR A 30 -4.048 -12.477 -2.701 1.00 33.01 C ATOM 405 CE2 TYR A 30 -3.107 -11.051 -1.038 1.00 43.44 C ATOM 406 CZ TYR A 30 -3.325 -12.311 -1.547 1.00 52.53 C ATOM 407 OH TYR A 30 -2.819 -13.408 -0.890 1.00 44.44 O ATOM 0 H TYR A 30 -3.228 -7.325 -5.205 1.00 43.44 H new ATOM 0 HA TYR A 30 -4.707 -9.839 -5.448 1.00 70.30 H new ATOM 0 HB2 TYR A 30 -4.514 -7.997 -3.094 1.00 33.52 H new ATOM 0 HB3 TYR A 30 -5.991 -8.887 -3.407 1.00 33.52 H new ATOM 0 HD1 TYR A 30 -5.122 -11.507 -4.256 1.00 72.21 H new ATOM 0 HD2 TYR A 30 -3.434 -8.964 -1.300 1.00 1.12 H new ATOM 0 HE1 TYR A 30 -4.220 -13.467 -3.098 1.00 33.01 H new ATOM 0 HE2 TYR A 30 -2.543 -10.924 -0.126 1.00 43.44 H new ATOM 0 HH TYR A 30 -2.332 -13.115 -0.092 1.00 44.44 H new ATOM 417 N ASP A 31 -6.828 -8.409 -5.902 1.00 43.34 N ATOM 418 CA ASP A 31 -7.920 -7.651 -6.487 1.00 23.33 C ATOM 419 C ASP A 31 -9.123 -8.016 -5.642 1.00 22.33 C ATOM 420 O ASP A 31 -9.025 -8.990 -4.872 1.00 50.41 O ATOM 421 CB ASP A 31 -8.133 -8.080 -7.962 1.00 10.43 C ATOM 422 CG ASP A 31 -9.022 -7.144 -8.780 1.00 34.24 C ATOM 423 OD1 ASP A 31 -10.187 -6.953 -8.441 1.00 62.32 O ATOM 424 OD2 ASP A 31 -8.553 -6.588 -9.791 1.00 51.31 O ATOM 0 H ASP A 31 -7.076 -9.370 -5.666 1.00 43.34 H new ATOM 0 HA ASP A 31 -7.734 -6.577 -6.497 1.00 23.33 H new ATOM 0 HB2 ASP A 31 -7.160 -8.152 -8.449 1.00 10.43 H new ATOM 0 HB3 ASP A 31 -8.571 -9.078 -7.976 1.00 10.43 H new ATOM 429 N LEU A 32 -10.227 -7.312 -5.790 1.00 10.22 N ATOM 430 CA LEU A 32 -11.412 -7.485 -4.936 1.00 61.43 C ATOM 431 C LEU A 32 -11.879 -8.950 -4.801 1.00 41.34 C ATOM 432 O LEU A 32 -11.939 -9.458 -3.676 1.00 51.05 O ATOM 433 CB LEU A 32 -12.581 -6.565 -5.336 1.00 12.54 C ATOM 434 CG LEU A 32 -12.395 -5.054 -5.110 1.00 32.01 C ATOM 435 CD1 LEU A 32 -11.927 -4.738 -3.695 1.00 14.35 C ATOM 436 CD2 LEU A 32 -11.500 -4.413 -6.158 1.00 31.40 C ATOM 0 H LEU A 32 -10.340 -6.596 -6.508 1.00 10.22 H new ATOM 0 HA LEU A 32 -11.076 -7.177 -3.946 1.00 61.43 H new ATOM 0 HB2 LEU A 32 -12.791 -6.725 -6.394 1.00 12.54 H new ATOM 0 HB3 LEU A 32 -13.465 -6.883 -4.784 1.00 12.54 H new ATOM 0 HG LEU A 32 -13.381 -4.605 -5.228 1.00 32.01 H new ATOM 0 HD11 LEU A 32 -11.810 -3.660 -3.583 1.00 14.35 H new ATOM 0 HD12 LEU A 32 -12.665 -5.099 -2.979 1.00 14.35 H new ATOM 0 HD13 LEU A 32 -10.971 -5.228 -3.510 1.00 14.35 H new ATOM 0 HD21 LEU A 32 -11.403 -3.347 -5.951 1.00 31.40 H new ATOM 0 HD22 LEU A 32 -10.515 -4.879 -6.130 1.00 31.40 H new ATOM 0 HD23 LEU A 32 -11.939 -4.552 -7.146 1.00 31.40 H new ATOM 448 N PRO A 33 -12.184 -9.675 -5.925 1.00 71.04 N ATOM 449 CA PRO A 33 -12.612 -11.078 -5.859 1.00 43.45 C ATOM 450 C PRO A 33 -11.577 -11.972 -5.160 1.00 4.40 C ATOM 451 O PRO A 33 -11.926 -12.848 -4.371 1.00 72.55 O ATOM 452 CB PRO A 33 -12.757 -11.486 -7.343 1.00 30.40 C ATOM 453 CG PRO A 33 -12.028 -10.445 -8.111 1.00 72.10 C ATOM 454 CD PRO A 33 -12.183 -9.191 -7.324 1.00 63.40 C ATOM 0 HA PRO A 33 -13.529 -11.193 -5.281 1.00 43.45 H new ATOM 0 HB2 PRO A 33 -12.334 -12.475 -7.522 1.00 30.40 H new ATOM 0 HB3 PRO A 33 -13.805 -11.530 -7.638 1.00 30.40 H new ATOM 0 HG2 PRO A 33 -10.977 -10.708 -8.228 1.00 72.10 H new ATOM 0 HG3 PRO A 33 -12.442 -10.334 -9.113 1.00 72.10 H new ATOM 0 HD2 PRO A 33 -11.366 -8.494 -7.510 1.00 63.40 H new ATOM 0 HD3 PRO A 33 -13.108 -8.670 -7.572 1.00 63.40 H new ATOM 462 N ARG A 34 -10.301 -11.726 -5.433 1.00 52.54 N ATOM 463 CA ARG A 34 -9.250 -12.523 -4.871 1.00 11.23 C ATOM 464 C ARG A 34 -9.088 -12.280 -3.366 1.00 43.23 C ATOM 465 O ARG A 34 -8.811 -13.209 -2.619 1.00 51.24 O ATOM 466 CB ARG A 34 -7.932 -12.294 -5.604 1.00 54.54 C ATOM 467 CG ARG A 34 -6.904 -13.374 -5.334 1.00 22.44 C ATOM 468 CD ARG A 34 -7.467 -14.723 -5.750 1.00 44.10 C ATOM 469 NE ARG A 34 -6.503 -15.809 -5.634 1.00 63.34 N ATOM 470 CZ ARG A 34 -6.679 -17.061 -6.094 1.00 11.22 C ATOM 471 NH1 ARG A 34 -7.796 -17.403 -6.734 1.00 65.42 N ATOM 472 NH2 ARG A 34 -5.731 -17.971 -5.908 1.00 31.11 N ATOM 0 H ARG A 34 -9.982 -10.974 -6.044 1.00 52.54 H new ATOM 0 HA ARG A 34 -9.536 -13.567 -5.003 1.00 11.23 H new ATOM 0 HB2 ARG A 34 -8.124 -12.244 -6.676 1.00 54.54 H new ATOM 0 HB3 ARG A 34 -7.522 -11.329 -5.308 1.00 54.54 H new ATOM 0 HG2 ARG A 34 -5.987 -13.165 -5.885 1.00 22.44 H new ATOM 0 HG3 ARG A 34 -6.644 -13.387 -4.276 1.00 22.44 H new ATOM 0 HD2 ARG A 34 -8.337 -14.951 -5.135 1.00 44.10 H new ATOM 0 HD3 ARG A 34 -7.813 -14.662 -6.782 1.00 44.10 H new ATOM 0 HE ARG A 34 -5.621 -15.603 -5.165 1.00 63.34 H new ATOM 0 HH11 ARG A 34 -8.532 -16.712 -6.881 1.00 65.42 H new ATOM 0 HH12 ARG A 34 -7.916 -18.356 -7.077 1.00 65.42 H new ATOM 0 HH21 ARG A 34 -4.872 -17.720 -5.418 1.00 31.11 H new ATOM 0 HH22 ARG A 34 -5.861 -18.921 -6.255 1.00 31.11 H new ATOM 486 N VAL A 35 -9.250 -11.044 -2.922 1.00 13.52 N ATOM 487 CA VAL A 35 -9.150 -10.758 -1.488 1.00 5.11 C ATOM 488 C VAL A 35 -10.337 -11.371 -0.778 1.00 22.21 C ATOM 489 O VAL A 35 -10.211 -11.916 0.333 1.00 61.03 O ATOM 490 CB VAL A 35 -9.047 -9.245 -1.148 1.00 72.03 C ATOM 491 CG1 VAL A 35 -8.860 -9.027 0.350 1.00 13.23 C ATOM 492 CG2 VAL A 35 -7.917 -8.597 -1.902 1.00 63.12 C ATOM 0 H VAL A 35 -9.447 -10.236 -3.512 1.00 13.52 H new ATOM 0 HA VAL A 35 -8.216 -11.201 -1.143 1.00 5.11 H new ATOM 0 HB VAL A 35 -9.985 -8.780 -1.453 1.00 72.03 H new ATOM 0 HG11 VAL A 35 -8.791 -7.959 0.556 1.00 13.23 H new ATOM 0 HG12 VAL A 35 -9.710 -9.447 0.888 1.00 13.23 H new ATOM 0 HG13 VAL A 35 -7.945 -9.520 0.678 1.00 13.23 H new ATOM 0 HG21 VAL A 35 -7.868 -7.539 -1.645 1.00 63.12 H new ATOM 0 HG22 VAL A 35 -6.977 -9.079 -1.634 1.00 63.12 H new ATOM 0 HG23 VAL A 35 -8.087 -8.703 -2.974 1.00 63.12 H new ATOM 502 N ALA A 36 -11.474 -11.306 -1.441 1.00 34.50 N ATOM 503 CA ALA A 36 -12.684 -11.907 -0.954 1.00 52.41 C ATOM 504 C ALA A 36 -12.465 -13.408 -0.739 1.00 41.43 C ATOM 505 O ALA A 36 -12.850 -13.961 0.286 1.00 25.23 O ATOM 506 CB ALA A 36 -13.818 -11.646 -1.937 1.00 2.43 C ATOM 0 H ALA A 36 -11.578 -10.830 -2.337 1.00 34.50 H new ATOM 0 HA ALA A 36 -12.958 -11.465 0.004 1.00 52.41 H new ATOM 0 HB1 ALA A 36 -14.735 -12.103 -1.565 1.00 2.43 H new ATOM 0 HB2 ALA A 36 -13.966 -10.571 -2.045 1.00 2.43 H new ATOM 0 HB3 ALA A 36 -13.566 -12.076 -2.906 1.00 2.43 H new ATOM 512 N GLU A 37 -11.778 -14.027 -1.687 1.00 73.03 N ATOM 513 CA GLU A 37 -11.428 -15.443 -1.645 1.00 64.34 C ATOM 514 C GLU A 37 -10.474 -15.716 -0.470 1.00 53.44 C ATOM 515 O GLU A 37 -10.676 -16.644 0.327 1.00 51.15 O ATOM 516 CB GLU A 37 -10.684 -15.763 -2.942 1.00 24.24 C ATOM 517 CG GLU A 37 -10.391 -17.239 -3.192 1.00 32.31 C ATOM 518 CD GLU A 37 -11.631 -18.082 -3.381 1.00 51.30 C ATOM 519 OE1 GLU A 37 -12.118 -18.180 -4.527 1.00 73.11 O ATOM 520 OE2 GLU A 37 -12.111 -18.694 -2.402 1.00 3.35 O ATOM 0 H GLU A 37 -11.441 -13.552 -2.524 1.00 73.03 H new ATOM 0 HA GLU A 37 -12.327 -16.048 -1.528 1.00 64.34 H new ATOM 0 HB2 GLU A 37 -11.270 -15.381 -3.778 1.00 24.24 H new ATOM 0 HB3 GLU A 37 -9.739 -15.220 -2.940 1.00 24.24 H new ATOM 0 HG2 GLU A 37 -9.762 -17.330 -4.078 1.00 32.31 H new ATOM 0 HG3 GLU A 37 -9.819 -17.634 -2.353 1.00 32.31 H new ATOM 527 N LEU A 38 -9.479 -14.856 -0.352 1.00 45.15 N ATOM 528 CA LEU A 38 -8.404 -14.970 0.628 1.00 3.45 C ATOM 529 C LEU A 38 -8.930 -14.906 2.061 1.00 32.44 C ATOM 530 O LEU A 38 -8.500 -15.671 2.938 1.00 22.41 O ATOM 531 CB LEU A 38 -7.402 -13.825 0.410 1.00 4.33 C ATOM 532 CG LEU A 38 -6.182 -13.796 1.329 1.00 12.55 C ATOM 533 CD1 LEU A 38 -5.228 -14.941 1.010 1.00 53.41 C ATOM 534 CD2 LEU A 38 -5.477 -12.454 1.240 1.00 1.12 C ATOM 0 H LEU A 38 -9.390 -14.034 -0.950 1.00 45.15 H new ATOM 0 HA LEU A 38 -7.924 -15.938 0.489 1.00 3.45 H new ATOM 0 HB2 LEU A 38 -7.050 -13.872 -0.621 1.00 4.33 H new ATOM 0 HB3 LEU A 38 -7.935 -12.881 0.522 1.00 4.33 H new ATOM 0 HG LEU A 38 -6.526 -13.930 2.355 1.00 12.55 H new ATOM 0 HD11 LEU A 38 -4.369 -14.896 1.679 1.00 53.41 H new ATOM 0 HD12 LEU A 38 -5.743 -15.892 1.145 1.00 53.41 H new ATOM 0 HD13 LEU A 38 -4.889 -14.855 -0.022 1.00 53.41 H new ATOM 0 HD21 LEU A 38 -4.611 -12.453 1.902 1.00 1.12 H new ATOM 0 HD22 LEU A 38 -5.150 -12.282 0.214 1.00 1.12 H new ATOM 0 HD23 LEU A 38 -6.163 -11.662 1.540 1.00 1.12 H new ATOM 546 N LEU A 39 -9.835 -13.995 2.297 1.00 11.02 N ATOM 547 CA LEU A 39 -10.350 -13.786 3.629 1.00 23.21 C ATOM 548 C LEU A 39 -11.674 -14.514 3.854 1.00 2.03 C ATOM 549 O LEU A 39 -12.145 -14.619 4.989 1.00 0.50 O ATOM 550 CB LEU A 39 -10.500 -12.289 3.903 1.00 12.41 C ATOM 551 CG LEU A 39 -9.224 -11.444 3.764 1.00 41.51 C ATOM 552 CD1 LEU A 39 -9.519 -9.980 4.040 1.00 72.01 C ATOM 553 CD2 LEU A 39 -8.126 -11.955 4.688 1.00 50.55 C ATOM 0 H LEU A 39 -10.233 -13.383 1.585 1.00 11.02 H new ATOM 0 HA LEU A 39 -9.633 -14.208 4.333 1.00 23.21 H new ATOM 0 HB2 LEU A 39 -11.252 -11.889 3.222 1.00 12.41 H new ATOM 0 HB3 LEU A 39 -10.887 -12.163 4.914 1.00 12.41 H new ATOM 0 HG LEU A 39 -8.869 -11.536 2.737 1.00 41.51 H new ATOM 0 HD11 LEU A 39 -8.603 -9.398 3.937 1.00 72.01 H new ATOM 0 HD12 LEU A 39 -10.261 -9.618 3.328 1.00 72.01 H new ATOM 0 HD13 LEU A 39 -9.905 -9.871 5.054 1.00 72.01 H new ATOM 0 HD21 LEU A 39 -7.235 -11.339 4.569 1.00 50.55 H new ATOM 0 HD22 LEU A 39 -8.467 -11.904 5.722 1.00 50.55 H new ATOM 0 HD23 LEU A 39 -7.889 -12.988 4.435 1.00 50.55 H new ATOM 565 N GLY A 40 -12.278 -14.993 2.779 1.00 51.33 N ATOM 566 CA GLY A 40 -13.549 -15.703 2.874 1.00 71.11 C ATOM 567 C GLY A 40 -14.707 -14.746 3.092 1.00 62.31 C ATOM 568 O GLY A 40 -15.817 -15.150 3.457 1.00 61.32 O ATOM 0 H GLY A 40 -11.912 -14.905 1.831 1.00 51.33 H new ATOM 0 HA2 GLY A 40 -13.716 -16.276 1.962 1.00 71.11 H new ATOM 0 HA3 GLY A 40 -13.507 -16.418 3.696 1.00 71.11 H new ATOM 572 N VAL A 41 -14.462 -13.494 2.814 1.00 4.33 N ATOM 573 CA VAL A 41 -15.412 -12.432 3.062 1.00 71.33 C ATOM 574 C VAL A 41 -15.883 -11.878 1.729 1.00 40.24 C ATOM 575 O VAL A 41 -15.236 -12.108 0.730 1.00 52.12 O ATOM 576 CB VAL A 41 -14.765 -11.288 3.909 1.00 2.00 C ATOM 577 CG1 VAL A 41 -14.238 -11.808 5.239 1.00 21.24 C ATOM 578 CG2 VAL A 41 -13.665 -10.563 3.133 1.00 3.25 C ATOM 0 H VAL A 41 -13.585 -13.174 2.403 1.00 4.33 H new ATOM 0 HA VAL A 41 -16.255 -12.833 3.625 1.00 71.33 H new ATOM 0 HB VAL A 41 -15.552 -10.564 4.121 1.00 2.00 H new ATOM 0 HG11 VAL A 41 -13.795 -10.986 5.801 1.00 21.24 H new ATOM 0 HG12 VAL A 41 -15.059 -12.239 5.812 1.00 21.24 H new ATOM 0 HG13 VAL A 41 -13.482 -12.572 5.057 1.00 21.24 H new ATOM 0 HG21 VAL A 41 -13.240 -9.775 3.755 1.00 3.25 H new ATOM 0 HG22 VAL A 41 -12.883 -11.272 2.861 1.00 3.25 H new ATOM 0 HG23 VAL A 41 -14.087 -10.124 2.229 1.00 3.25 H new ATOM 588 N PRO A 42 -17.027 -11.203 1.667 1.00 72.01 N ATOM 589 CA PRO A 42 -17.472 -10.589 0.429 1.00 2.15 C ATOM 590 C PRO A 42 -16.711 -9.283 0.150 1.00 2.13 C ATOM 591 O PRO A 42 -16.005 -8.755 1.038 1.00 64.54 O ATOM 592 CB PRO A 42 -18.949 -10.306 0.690 1.00 51.33 C ATOM 593 CG PRO A 42 -19.028 -10.097 2.157 1.00 13.11 C ATOM 594 CD PRO A 42 -18.002 -11.017 2.757 1.00 20.42 C ATOM 0 HA PRO A 42 -17.300 -11.222 -0.442 1.00 2.15 H new ATOM 0 HB2 PRO A 42 -19.288 -9.426 0.144 1.00 51.33 H new ATOM 0 HB3 PRO A 42 -19.576 -11.139 0.372 1.00 51.33 H new ATOM 0 HG2 PRO A 42 -18.821 -9.059 2.416 1.00 13.11 H new ATOM 0 HG3 PRO A 42 -20.026 -10.326 2.532 1.00 13.11 H new ATOM 0 HD2 PRO A 42 -17.538 -10.579 3.640 1.00 20.42 H new ATOM 0 HD3 PRO A 42 -18.444 -11.964 3.066 1.00 20.42 H new ATOM 602 N VAL A 43 -16.891 -8.750 -1.050 1.00 62.34 N ATOM 603 CA VAL A 43 -16.237 -7.503 -1.491 1.00 42.25 C ATOM 604 C VAL A 43 -16.574 -6.358 -0.540 1.00 71.14 C ATOM 605 O VAL A 43 -15.740 -5.483 -0.268 1.00 61.21 O ATOM 606 CB VAL A 43 -16.663 -7.123 -2.929 1.00 2.12 C ATOM 607 CG1 VAL A 43 -15.929 -5.880 -3.427 1.00 71.04 C ATOM 608 CG2 VAL A 43 -16.442 -8.292 -3.860 1.00 32.05 C ATOM 0 H VAL A 43 -17.497 -9.165 -1.758 1.00 62.34 H new ATOM 0 HA VAL A 43 -15.161 -7.676 -1.483 1.00 42.25 H new ATOM 0 HB VAL A 43 -17.726 -6.881 -2.914 1.00 2.12 H new ATOM 0 HG11 VAL A 43 -16.256 -5.646 -4.440 1.00 71.04 H new ATOM 0 HG12 VAL A 43 -16.151 -5.039 -2.771 1.00 71.04 H new ATOM 0 HG13 VAL A 43 -14.855 -6.067 -3.426 1.00 71.04 H new ATOM 0 HG21 VAL A 43 -16.745 -8.015 -4.870 1.00 32.05 H new ATOM 0 HG22 VAL A 43 -15.386 -8.563 -3.859 1.00 32.05 H new ATOM 0 HG23 VAL A 43 -17.035 -9.142 -3.524 1.00 32.05 H new ATOM 618 N SER A 44 -17.777 -6.417 -0.004 1.00 33.24 N ATOM 619 CA SER A 44 -18.286 -5.448 0.924 1.00 73.13 C ATOM 620 C SER A 44 -17.335 -5.328 2.152 1.00 43.24 C ATOM 621 O SER A 44 -16.948 -4.225 2.546 1.00 71.21 O ATOM 622 CB SER A 44 -19.650 -5.950 1.373 1.00 12.02 C ATOM 623 OG SER A 44 -20.431 -6.365 0.254 1.00 75.42 O ATOM 0 H SER A 44 -18.439 -7.164 -0.213 1.00 33.24 H new ATOM 0 HA SER A 44 -18.359 -4.464 0.461 1.00 73.13 H new ATOM 0 HB2 SER A 44 -19.526 -6.783 2.065 1.00 12.02 H new ATOM 0 HB3 SER A 44 -20.173 -5.161 1.914 1.00 12.02 H new ATOM 0 HG SER A 44 -21.303 -6.686 0.565 1.00 75.42 H new ATOM 629 N LYS A 45 -16.914 -6.473 2.703 1.00 33.33 N ATOM 630 CA LYS A 45 -15.997 -6.467 3.834 1.00 30.03 C ATOM 631 C LYS A 45 -14.613 -6.008 3.439 1.00 20.23 C ATOM 632 O LYS A 45 -13.958 -5.326 4.200 1.00 72.32 O ATOM 633 CB LYS A 45 -15.928 -7.804 4.554 1.00 75.14 C ATOM 634 CG LYS A 45 -17.112 -8.101 5.454 1.00 12.03 C ATOM 635 CD LYS A 45 -16.885 -9.394 6.206 1.00 20.33 C ATOM 636 CE LYS A 45 -17.928 -9.642 7.265 1.00 14.01 C ATOM 637 NZ LYS A 45 -17.690 -10.926 7.940 1.00 4.41 N ATOM 0 H LYS A 45 -17.193 -7.401 2.385 1.00 33.33 H new ATOM 0 HA LYS A 45 -16.410 -5.744 4.538 1.00 30.03 H new ATOM 0 HB2 LYS A 45 -15.846 -8.597 3.811 1.00 75.14 H new ATOM 0 HB3 LYS A 45 -15.018 -7.832 5.153 1.00 75.14 H new ATOM 0 HG2 LYS A 45 -17.257 -7.282 6.159 1.00 12.03 H new ATOM 0 HG3 LYS A 45 -18.022 -8.173 4.858 1.00 12.03 H new ATOM 0 HD2 LYS A 45 -16.885 -10.225 5.500 1.00 20.33 H new ATOM 0 HD3 LYS A 45 -15.899 -9.371 6.671 1.00 20.33 H new ATOM 0 HE2 LYS A 45 -17.911 -8.833 7.995 1.00 14.01 H new ATOM 0 HE3 LYS A 45 -18.920 -9.642 6.813 1.00 14.01 H new ATOM 0 HZ1 LYS A 45 -18.420 -11.077 8.666 1.00 4.41 H new ATOM 0 HZ2 LYS A 45 -17.730 -11.697 7.243 1.00 4.41 H new ATOM 0 HZ3 LYS A 45 -16.752 -10.913 8.389 1.00 4.41 H new ATOM 651 N VAL A 46 -14.190 -6.359 2.231 1.00 23.24 N ATOM 652 CA VAL A 46 -12.864 -5.975 1.728 1.00 71.43 C ATOM 653 C VAL A 46 -12.760 -4.448 1.671 1.00 3.22 C ATOM 654 O VAL A 46 -11.753 -3.850 2.110 1.00 2.22 O ATOM 655 CB VAL A 46 -12.599 -6.562 0.310 1.00 73.51 C ATOM 656 CG1 VAL A 46 -11.235 -6.136 -0.211 1.00 52.43 C ATOM 657 CG2 VAL A 46 -12.713 -8.079 0.320 1.00 53.23 C ATOM 0 H VAL A 46 -14.743 -6.911 1.575 1.00 23.24 H new ATOM 0 HA VAL A 46 -12.116 -6.379 2.410 1.00 71.43 H new ATOM 0 HB VAL A 46 -13.360 -6.165 -0.361 1.00 73.51 H new ATOM 0 HG11 VAL A 46 -11.076 -6.560 -1.203 1.00 52.43 H new ATOM 0 HG12 VAL A 46 -11.191 -5.048 -0.270 1.00 52.43 H new ATOM 0 HG13 VAL A 46 -10.459 -6.494 0.466 1.00 52.43 H new ATOM 0 HG21 VAL A 46 -12.524 -8.465 -0.682 1.00 53.23 H new ATOM 0 HG22 VAL A 46 -11.981 -8.494 1.013 1.00 53.23 H new ATOM 0 HG23 VAL A 46 -13.716 -8.366 0.636 1.00 53.23 H new ATOM 667 N ALA A 47 -13.821 -3.823 1.178 1.00 62.31 N ATOM 668 CA ALA A 47 -13.899 -2.383 1.112 1.00 32.35 C ATOM 669 C ALA A 47 -13.812 -1.795 2.517 1.00 74.53 C ATOM 670 O ALA A 47 -13.132 -0.788 2.740 1.00 64.23 O ATOM 671 CB ALA A 47 -15.183 -1.953 0.419 1.00 23.15 C ATOM 0 H ALA A 47 -14.644 -4.304 0.816 1.00 62.31 H new ATOM 0 HA ALA A 47 -13.060 -2.006 0.527 1.00 32.35 H new ATOM 0 HB1 ALA A 47 -15.227 -0.865 0.377 1.00 23.15 H new ATOM 0 HB2 ALA A 47 -15.203 -2.356 -0.594 1.00 23.15 H new ATOM 0 HB3 ALA A 47 -16.041 -2.330 0.976 1.00 23.15 H new ATOM 677 N GLN A 48 -14.452 -2.465 3.466 1.00 14.51 N ATOM 678 CA GLN A 48 -14.424 -2.046 4.860 1.00 54.35 C ATOM 679 C GLN A 48 -13.056 -2.170 5.483 1.00 4.42 C ATOM 680 O GLN A 48 -12.676 -1.317 6.249 1.00 13.45 O ATOM 681 CB GLN A 48 -15.466 -2.760 5.715 1.00 74.13 C ATOM 682 CG GLN A 48 -16.877 -2.284 5.468 1.00 65.44 C ATOM 683 CD GLN A 48 -17.061 -0.791 5.752 1.00 73.30 C ATOM 684 OE1 GLN A 48 -16.315 -0.250 6.697 1.00 21.42 O flip ATOM 685 NE2 GLN A 48 -17.887 -0.134 5.122 1.00 55.31 N flip ATOM 0 H GLN A 48 -15.001 -3.307 3.293 1.00 14.51 H new ATOM 0 HA GLN A 48 -14.682 -0.987 4.840 1.00 54.35 H new ATOM 0 HB2 GLN A 48 -15.413 -3.831 5.519 1.00 74.13 H new ATOM 0 HB3 GLN A 48 -15.221 -2.616 6.767 1.00 74.13 H new ATOM 0 HG2 GLN A 48 -17.147 -2.487 4.432 1.00 65.44 H new ATOM 0 HG3 GLN A 48 -17.562 -2.855 6.094 1.00 65.44 H new ATOM 0 HE21 GLN A 48 -18.449 -0.581 4.397 1.00 55.31 H new ATOM 0 HE22 GLN A 48 -18.011 0.858 5.324 1.00 55.31 H new ATOM 694 N GLN A 49 -12.302 -3.207 5.113 1.00 3.55 N ATOM 695 CA GLN A 49 -10.944 -3.420 5.652 1.00 25.34 C ATOM 696 C GLN A 49 -10.097 -2.191 5.344 1.00 43.23 C ATOM 697 O GLN A 49 -9.383 -1.663 6.208 1.00 44.54 O ATOM 698 CB GLN A 49 -10.290 -4.646 4.997 1.00 74.00 C ATOM 699 CG GLN A 49 -11.099 -5.934 5.088 1.00 43.23 C ATOM 700 CD GLN A 49 -11.306 -6.426 6.502 1.00 71.20 C ATOM 701 OE1 GLN A 49 -12.275 -6.064 7.177 1.00 60.31 O ATOM 702 NE2 GLN A 49 -10.429 -7.284 6.944 1.00 13.33 N ATOM 0 H GLN A 49 -12.602 -3.915 4.443 1.00 3.55 H new ATOM 0 HA GLN A 49 -11.011 -3.585 6.727 1.00 25.34 H new ATOM 0 HB2 GLN A 49 -10.107 -4.423 3.946 1.00 74.00 H new ATOM 0 HB3 GLN A 49 -9.318 -4.812 5.461 1.00 74.00 H new ATOM 0 HG2 GLN A 49 -12.072 -5.775 4.623 1.00 43.23 H new ATOM 0 HG3 GLN A 49 -10.594 -6.711 4.513 1.00 43.23 H new ATOM 0 HE21 GLN A 49 -9.642 -7.558 6.356 1.00 13.33 H new ATOM 0 HE22 GLN A 49 -10.530 -7.681 7.878 1.00 13.33 H new ATOM 711 N LEU A 50 -10.256 -1.710 4.122 1.00 4.53 N ATOM 712 CA LEU A 50 -9.579 -0.517 3.636 1.00 10.02 C ATOM 713 C LEU A 50 -10.002 0.723 4.457 1.00 4.25 C ATOM 714 O LEU A 50 -9.178 1.554 4.818 1.00 40.45 O ATOM 715 CB LEU A 50 -9.924 -0.332 2.151 1.00 44.12 C ATOM 716 CG LEU A 50 -9.349 0.891 1.438 1.00 25.45 C ATOM 717 CD1 LEU A 50 -7.843 0.879 1.472 1.00 52.42 C ATOM 718 CD2 LEU A 50 -9.832 0.927 0.009 1.00 64.03 C ATOM 0 H LEU A 50 -10.867 -2.143 3.429 1.00 4.53 H new ATOM 0 HA LEU A 50 -8.501 -0.632 3.750 1.00 10.02 H new ATOM 0 HB2 LEU A 50 -9.590 -1.221 1.615 1.00 44.12 H new ATOM 0 HB3 LEU A 50 -11.010 -0.294 2.061 1.00 44.12 H new ATOM 0 HG LEU A 50 -9.694 1.784 1.959 1.00 25.45 H new ATOM 0 HD11 LEU A 50 -7.460 1.760 0.958 1.00 52.42 H new ATOM 0 HD12 LEU A 50 -7.502 0.887 2.507 1.00 52.42 H new ATOM 0 HD13 LEU A 50 -7.475 -0.019 0.976 1.00 52.42 H new ATOM 0 HD21 LEU A 50 -9.418 1.802 -0.493 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -9.507 0.024 -0.508 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -10.921 0.981 -0.006 1.00 64.03 H new ATOM 730 N ARG A 51 -11.284 0.803 4.776 1.00 45.42 N ATOM 731 CA ARG A 51 -11.835 1.913 5.572 1.00 72.14 C ATOM 732 C ARG A 51 -11.414 1.869 7.039 1.00 64.03 C ATOM 733 O ARG A 51 -11.480 2.889 7.742 1.00 63.21 O ATOM 734 CB ARG A 51 -13.363 2.039 5.456 1.00 11.40 C ATOM 735 CG ARG A 51 -13.871 2.811 4.236 1.00 75.21 C ATOM 736 CD ARG A 51 -13.456 2.176 2.935 1.00 63.51 C ATOM 737 NE ARG A 51 -14.006 2.861 1.769 1.00 41.43 N ATOM 738 CZ ARG A 51 -13.940 2.390 0.520 1.00 44.44 C ATOM 739 NH1 ARG A 51 -13.328 1.230 0.277 1.00 5.42 N ATOM 740 NH2 ARG A 51 -14.492 3.062 -0.479 1.00 23.14 N ATOM 0 H ARG A 51 -11.977 0.109 4.497 1.00 45.42 H new ATOM 0 HA ARG A 51 -11.396 2.808 5.131 1.00 72.14 H new ATOM 0 HB2 ARG A 51 -13.792 1.037 5.434 1.00 11.40 H new ATOM 0 HB3 ARG A 51 -13.739 2.527 6.355 1.00 11.40 H new ATOM 0 HG2 ARG A 51 -14.959 2.871 4.276 1.00 75.21 H new ATOM 0 HG3 ARG A 51 -13.493 3.833 4.274 1.00 75.21 H new ATOM 0 HD2 ARG A 51 -12.368 2.173 2.869 1.00 63.51 H new ATOM 0 HD3 ARG A 51 -13.779 1.135 2.925 1.00 63.51 H new ATOM 0 HE ARG A 51 -14.471 3.757 1.917 1.00 41.43 H new ATOM 0 HH11 ARG A 51 -12.911 0.703 1.044 1.00 5.42 H new ATOM 0 HH12 ARG A 51 -13.277 0.870 -0.676 1.00 5.42 H new ATOM 0 HH21 ARG A 51 -14.971 3.944 -0.297 1.00 23.14 H new ATOM 0 HH22 ARG A 51 -14.438 2.697 -1.430 1.00 23.14 H new ATOM 754 N GLU A 52 -11.006 0.707 7.522 1.00 61.35 N ATOM 755 CA GLU A 52 -10.600 0.587 8.913 1.00 52.15 C ATOM 756 C GLU A 52 -9.199 1.182 9.099 1.00 74.02 C ATOM 757 O GLU A 52 -8.755 1.403 10.211 1.00 75.01 O ATOM 758 CB GLU A 52 -10.598 -0.882 9.370 1.00 12.31 C ATOM 759 CG GLU A 52 -11.923 -1.632 9.200 1.00 41.50 C ATOM 760 CD GLU A 52 -13.095 -1.009 9.931 1.00 63.00 C ATOM 761 OE1 GLU A 52 -13.100 -1.004 11.178 1.00 11.52 O ATOM 762 OE2 GLU A 52 -14.076 -0.582 9.279 1.00 74.15 O ATOM 0 H GLU A 52 -10.947 -0.156 6.981 1.00 61.35 H new ATOM 0 HA GLU A 52 -11.319 1.135 9.522 1.00 52.15 H new ATOM 0 HB2 GLU A 52 -9.826 -1.415 8.815 1.00 12.31 H new ATOM 0 HB3 GLU A 52 -10.315 -0.916 10.422 1.00 12.31 H new ATOM 0 HG2 GLU A 52 -12.161 -1.687 8.138 1.00 41.50 H new ATOM 0 HG3 GLU A 52 -11.794 -2.656 9.551 1.00 41.50 H new ATOM 769 N GLY A 53 -8.519 1.459 7.988 1.00 61.34 N ATOM 770 CA GLY A 53 -7.171 1.992 8.061 1.00 24.53 C ATOM 771 C GLY A 53 -6.173 0.898 8.369 1.00 31.11 C ATOM 772 O GLY A 53 -5.070 1.151 8.848 1.00 30.33 O ATOM 0 H GLY A 53 -8.877 1.324 7.043 1.00 61.34 H new ATOM 0 HA2 GLY A 53 -6.913 2.469 7.116 1.00 24.53 H new ATOM 0 HA3 GLY A 53 -7.121 2.762 8.831 1.00 24.53 H new ATOM 776 N HIS A 54 -6.581 -0.323 8.097 1.00 42.33 N ATOM 777 CA HIS A 54 -5.756 -1.493 8.333 1.00 32.22 C ATOM 778 C HIS A 54 -5.219 -2.028 7.021 1.00 52.32 C ATOM 779 O HIS A 54 -4.561 -3.064 6.992 1.00 32.11 O ATOM 780 CB HIS A 54 -6.561 -2.610 9.040 1.00 25.51 C ATOM 781 CG HIS A 54 -6.871 -2.389 10.506 1.00 74.11 C ATOM 782 ND1 HIS A 54 -6.698 -3.362 11.469 1.00 24.40 N ATOM 783 CD2 HIS A 54 -7.396 -1.319 11.155 1.00 64.03 C ATOM 784 CE1 HIS A 54 -7.111 -2.872 12.638 1.00 22.41 C ATOM 785 NE2 HIS A 54 -7.547 -1.631 12.511 1.00 14.04 N ATOM 0 H HIS A 54 -7.498 -0.535 7.704 1.00 42.33 H new ATOM 0 HA HIS A 54 -4.930 -1.191 8.976 1.00 32.22 H new ATOM 0 HB2 HIS A 54 -7.503 -2.742 8.507 1.00 25.51 H new ATOM 0 HB3 HIS A 54 -6.007 -3.544 8.945 1.00 25.51 H new ATOM 0 HD1 HIS A 54 -6.319 -4.296 11.313 1.00 24.40 H new ATOM 0 HD2 HIS A 54 -7.656 -0.376 10.697 1.00 64.03 H new ATOM 0 HE1 HIS A 54 -7.092 -3.419 13.569 1.00 22.41 H new ATOM 793 N LEU A 55 -5.501 -1.322 5.937 1.00 11.34 N ATOM 794 CA LEU A 55 -5.101 -1.757 4.624 1.00 34.14 C ATOM 795 C LEU A 55 -5.140 -0.557 3.680 1.00 3.11 C ATOM 796 O LEU A 55 -5.818 0.424 3.974 1.00 1.52 O ATOM 797 CB LEU A 55 -6.067 -2.860 4.156 1.00 23.42 C ATOM 798 CG LEU A 55 -5.719 -3.605 2.871 1.00 1.43 C ATOM 799 CD1 LEU A 55 -4.363 -4.291 3.000 1.00 41.41 C ATOM 800 CD2 LEU A 55 -6.800 -4.625 2.565 1.00 21.32 C ATOM 0 H LEU A 55 -6.010 -0.438 5.950 1.00 11.34 H new ATOM 0 HA LEU A 55 -4.089 -2.161 4.635 1.00 34.14 H new ATOM 0 HB2 LEU A 55 -6.152 -3.594 4.957 1.00 23.42 H new ATOM 0 HB3 LEU A 55 -7.052 -2.412 4.028 1.00 23.42 H new ATOM 0 HG LEU A 55 -5.661 -2.889 2.051 1.00 1.43 H new ATOM 0 HD11 LEU A 55 -4.132 -4.817 2.074 1.00 41.41 H new ATOM 0 HD12 LEU A 55 -3.594 -3.543 3.194 1.00 41.41 H new ATOM 0 HD13 LEU A 55 -4.393 -5.003 3.824 1.00 41.41 H new ATOM 0 HD21 LEU A 55 -6.550 -5.156 1.647 1.00 21.32 H new ATOM 0 HD22 LEU A 55 -6.872 -5.337 3.388 1.00 21.32 H new ATOM 0 HD23 LEU A 55 -7.756 -4.116 2.441 1.00 21.32 H new ATOM 812 N VAL A 56 -4.391 -0.627 2.578 1.00 20.11 N ATOM 813 CA VAL A 56 -4.348 0.430 1.564 1.00 41.55 C ATOM 814 C VAL A 56 -4.495 -0.215 0.192 1.00 12.25 C ATOM 815 O VAL A 56 -4.040 -1.343 -0.009 1.00 41.52 O ATOM 816 CB VAL A 56 -3.008 1.249 1.625 1.00 52.43 C ATOM 817 CG1 VAL A 56 -2.908 2.283 0.508 1.00 20.12 C ATOM 818 CG2 VAL A 56 -2.870 1.947 2.952 1.00 53.14 C ATOM 0 H VAL A 56 -3.793 -1.424 2.362 1.00 20.11 H new ATOM 0 HA VAL A 56 -5.162 1.129 1.754 1.00 41.55 H new ATOM 0 HB VAL A 56 -2.200 0.528 1.497 1.00 52.43 H new ATOM 0 HG11 VAL A 56 -1.965 2.822 0.594 1.00 20.12 H new ATOM 0 HG12 VAL A 56 -2.951 1.780 -0.458 1.00 20.12 H new ATOM 0 HG13 VAL A 56 -3.736 2.987 0.588 1.00 20.12 H new ATOM 0 HG21 VAL A 56 -1.936 2.508 2.973 1.00 53.14 H new ATOM 0 HG22 VAL A 56 -3.707 2.631 3.092 1.00 53.14 H new ATOM 0 HG23 VAL A 56 -2.867 1.208 3.753 1.00 53.14 H new ATOM 828 N ALA A 57 -5.122 0.481 -0.725 1.00 3.14 N ATOM 829 CA ALA A 57 -5.353 -0.013 -2.051 1.00 55.14 C ATOM 830 C ALA A 57 -4.968 1.059 -3.047 1.00 20.24 C ATOM 831 O ALA A 57 -4.920 2.231 -2.697 1.00 73.00 O ATOM 832 CB ALA A 57 -6.819 -0.375 -2.212 1.00 23.24 C ATOM 0 H ALA A 57 -5.489 1.419 -0.564 1.00 3.14 H new ATOM 0 HA ALA A 57 -4.751 -0.905 -2.227 1.00 55.14 H new ATOM 0 HB1 ALA A 57 -6.992 -0.750 -3.221 1.00 23.24 H new ATOM 0 HB2 ALA A 57 -7.085 -1.145 -1.488 1.00 23.24 H new ATOM 0 HB3 ALA A 57 -7.433 0.510 -2.044 1.00 23.24 H new ATOM 838 N VAL A 58 -4.686 0.658 -4.262 1.00 1.24 N ATOM 839 CA VAL A 58 -4.327 1.572 -5.331 1.00 13.21 C ATOM 840 C VAL A 58 -5.147 1.282 -6.561 1.00 3.43 C ATOM 841 O VAL A 58 -5.798 0.249 -6.650 1.00 74.44 O ATOM 842 CB VAL A 58 -2.816 1.563 -5.685 1.00 4.15 C ATOM 843 CG1 VAL A 58 -2.010 2.234 -4.593 1.00 74.43 C ATOM 844 CG2 VAL A 58 -2.313 0.144 -5.926 1.00 52.42 C ATOM 0 H VAL A 58 -4.698 -0.322 -4.545 1.00 1.24 H new ATOM 0 HA VAL A 58 -4.547 2.573 -4.959 1.00 13.21 H new ATOM 0 HB VAL A 58 -2.686 2.126 -6.609 1.00 4.15 H new ATOM 0 HG11 VAL A 58 -0.953 2.218 -4.859 1.00 74.43 H new ATOM 0 HG12 VAL A 58 -2.340 3.267 -4.479 1.00 74.43 H new ATOM 0 HG13 VAL A 58 -2.156 1.701 -3.653 1.00 74.43 H new ATOM 0 HG21 VAL A 58 -1.251 0.171 -6.172 1.00 52.42 H new ATOM 0 HG22 VAL A 58 -2.462 -0.453 -5.026 1.00 52.42 H new ATOM 0 HG23 VAL A 58 -2.866 -0.302 -6.753 1.00 52.42 H new ATOM 854 N ARG A 59 -5.130 2.178 -7.492 1.00 3.32 N ATOM 855 CA ARG A 59 -5.926 2.054 -8.679 1.00 45.31 C ATOM 856 C ARG A 59 -5.050 2.057 -9.918 1.00 33.42 C ATOM 857 O ARG A 59 -4.266 2.977 -10.125 1.00 54.15 O ATOM 858 CB ARG A 59 -6.926 3.205 -8.718 1.00 22.01 C ATOM 859 CG ARG A 59 -7.784 3.269 -9.961 1.00 61.53 C ATOM 860 CD ARG A 59 -8.727 4.456 -9.902 1.00 44.33 C ATOM 861 NE ARG A 59 -8.012 5.741 -9.769 1.00 43.33 N ATOM 862 CZ ARG A 59 -8.583 6.945 -9.925 1.00 23.12 C ATOM 863 NH1 ARG A 59 -9.883 7.039 -10.202 1.00 62.13 N ATOM 864 NH2 ARG A 59 -7.852 8.048 -9.807 1.00 21.32 N ATOM 0 H ARG A 59 -4.561 3.024 -7.455 1.00 3.32 H new ATOM 0 HA ARG A 59 -6.462 1.105 -8.662 1.00 45.31 H new ATOM 0 HB2 ARG A 59 -7.579 3.128 -7.849 1.00 22.01 H new ATOM 0 HB3 ARG A 59 -6.380 4.143 -8.624 1.00 22.01 H new ATOM 0 HG2 ARG A 59 -7.149 3.346 -10.844 1.00 61.53 H new ATOM 0 HG3 ARG A 59 -8.357 2.347 -10.061 1.00 61.53 H new ATOM 0 HD2 ARG A 59 -9.338 4.476 -10.805 1.00 44.33 H new ATOM 0 HD3 ARG A 59 -9.407 4.334 -9.059 1.00 44.33 H new ATOM 0 HE ARG A 59 -7.018 5.711 -9.543 1.00 43.33 H new ATOM 0 HH11 ARG A 59 -10.447 6.194 -10.296 1.00 62.13 H new ATOM 0 HH12 ARG A 59 -10.314 7.956 -10.320 1.00 62.13 H new ATOM 0 HH21 ARG A 59 -6.856 7.980 -9.598 1.00 21.32 H new ATOM 0 HH22 ARG A 59 -8.287 8.963 -9.926 1.00 21.32 H new ATOM 878 N ARG A 60 -5.190 1.044 -10.748 1.00 10.24 N ATOM 879 CA ARG A 60 -4.432 0.998 -11.970 1.00 42.41 C ATOM 880 C ARG A 60 -5.391 1.049 -13.137 1.00 11.04 C ATOM 881 O ARG A 60 -6.300 0.229 -13.229 1.00 12.44 O ATOM 882 CB ARG A 60 -3.452 -0.223 -12.063 1.00 42.21 C ATOM 883 CG ARG A 60 -3.987 -1.587 -12.559 1.00 14.03 C ATOM 884 CD ARG A 60 -5.042 -2.206 -11.672 1.00 31.42 C ATOM 885 NE ARG A 60 -5.426 -3.539 -12.159 1.00 53.23 N ATOM 886 CZ ARG A 60 -6.509 -4.230 -11.775 1.00 43.33 C ATOM 887 NH1 ARG A 60 -7.407 -3.672 -10.976 1.00 70.42 N ATOM 888 NH2 ARG A 60 -6.694 -5.466 -12.211 1.00 54.43 N ATOM 0 H ARG A 60 -5.815 0.252 -10.597 1.00 10.24 H new ATOM 0 HA ARG A 60 -3.777 1.869 -11.992 1.00 42.41 H new ATOM 0 HB2 ARG A 60 -2.631 0.065 -12.719 1.00 42.21 H new ATOM 0 HB3 ARG A 60 -3.028 -0.379 -11.071 1.00 42.21 H new ATOM 0 HG2 ARG A 60 -4.401 -1.459 -13.559 1.00 14.03 H new ATOM 0 HG3 ARG A 60 -3.151 -2.281 -12.646 1.00 14.03 H new ATOM 0 HD2 ARG A 60 -4.665 -2.282 -10.652 1.00 31.42 H new ATOM 0 HD3 ARG A 60 -5.920 -1.560 -11.640 1.00 31.42 H new ATOM 0 HE ARG A 60 -4.815 -3.976 -12.849 1.00 53.23 H new ATOM 0 HH11 ARG A 60 -7.275 -2.714 -10.651 1.00 70.42 H new ATOM 0 HH12 ARG A 60 -8.230 -4.200 -10.686 1.00 70.42 H new ATOM 0 HH21 ARG A 60 -6.013 -5.893 -12.839 1.00 54.43 H new ATOM 0 HH22 ARG A 60 -7.518 -5.992 -11.919 1.00 54.43 H new ATOM 902 N ALA A 61 -5.267 2.110 -13.922 1.00 44.44 N ATOM 903 CA ALA A 61 -6.060 2.390 -15.145 1.00 30.11 C ATOM 904 C ALA A 61 -7.494 2.803 -14.804 1.00 24.42 C ATOM 905 O ALA A 61 -8.008 3.812 -15.295 1.00 11.31 O ATOM 906 CB ALA A 61 -6.032 1.212 -16.129 1.00 13.04 C ATOM 0 H ALA A 61 -4.584 2.842 -13.728 1.00 44.44 H new ATOM 0 HA ALA A 61 -5.587 3.235 -15.645 1.00 30.11 H new ATOM 0 HB1 ALA A 61 -6.625 1.459 -17.010 1.00 13.04 H new ATOM 0 HB2 ALA A 61 -5.003 1.012 -16.428 1.00 13.04 H new ATOM 0 HB3 ALA A 61 -6.448 0.327 -15.649 1.00 13.04 H new ATOM 912 N GLY A 62 -8.088 2.038 -13.951 1.00 4.45 N ATOM 913 CA GLY A 62 -9.429 2.249 -13.493 1.00 52.32 C ATOM 914 C GLY A 62 -9.839 1.244 -12.419 1.00 30.41 C ATOM 915 O GLY A 62 -10.856 1.440 -11.742 1.00 53.13 O ATOM 0 H GLY A 62 -7.642 1.220 -13.537 1.00 4.45 H new ATOM 0 HA2 GLY A 62 -9.520 3.260 -13.095 1.00 52.32 H new ATOM 0 HA3 GLY A 62 -10.115 2.176 -14.337 1.00 52.32 H new ATOM 919 N GLY A 63 -9.044 0.189 -12.228 1.00 25.44 N ATOM 920 CA GLY A 63 -9.398 -0.834 -11.279 1.00 44.13 C ATOM 921 C GLY A 63 -8.610 -0.726 -10.016 1.00 41.12 C ATOM 922 O GLY A 63 -7.425 -0.387 -10.048 1.00 71.33 O ATOM 0 H GLY A 63 -8.163 0.034 -12.718 1.00 25.44 H new ATOM 0 HA2 GLY A 63 -10.461 -0.763 -11.050 1.00 44.13 H new ATOM 0 HA3 GLY A 63 -9.233 -1.815 -11.726 1.00 44.13 H new ATOM 926 N VAL A 64 -9.224 -1.063 -8.924 1.00 33.12 N ATOM 927 CA VAL A 64 -8.594 -0.973 -7.630 1.00 25.53 C ATOM 928 C VAL A 64 -8.023 -2.331 -7.239 1.00 14.10 C ATOM 929 O VAL A 64 -8.694 -3.354 -7.334 1.00 72.22 O ATOM 930 CB VAL A 64 -9.600 -0.464 -6.545 1.00 15.45 C ATOM 931 CG1 VAL A 64 -8.969 -0.452 -5.159 1.00 23.33 C ATOM 932 CG2 VAL A 64 -10.094 0.935 -6.895 1.00 61.42 C ATOM 0 H VAL A 64 -10.182 -1.411 -8.898 1.00 33.12 H new ATOM 0 HA VAL A 64 -7.781 -0.249 -7.691 1.00 25.53 H new ATOM 0 HB VAL A 64 -10.443 -1.154 -6.530 1.00 15.45 H new ATOM 0 HG11 VAL A 64 -9.697 -0.093 -4.431 1.00 23.33 H new ATOM 0 HG12 VAL A 64 -8.657 -1.462 -4.892 1.00 23.33 H new ATOM 0 HG13 VAL A 64 -8.101 0.207 -5.160 1.00 23.33 H new ATOM 0 HG21 VAL A 64 -10.793 1.276 -6.131 1.00 61.42 H new ATOM 0 HG22 VAL A 64 -9.247 1.619 -6.942 1.00 61.42 H new ATOM 0 HG23 VAL A 64 -10.596 0.912 -7.862 1.00 61.42 H new ATOM 942 N VAL A 65 -6.774 -2.313 -6.864 1.00 22.24 N ATOM 943 CA VAL A 65 -6.018 -3.479 -6.462 1.00 23.22 C ATOM 944 C VAL A 65 -5.303 -3.210 -5.177 1.00 55.34 C ATOM 945 O VAL A 65 -5.070 -2.056 -4.804 1.00 52.31 O ATOM 946 CB VAL A 65 -4.976 -3.916 -7.522 1.00 72.25 C ATOM 947 CG1 VAL A 65 -5.619 -4.791 -8.567 1.00 14.52 C ATOM 948 CG2 VAL A 65 -4.346 -2.695 -8.182 1.00 64.50 C ATOM 0 H VAL A 65 -6.228 -1.453 -6.827 1.00 22.24 H new ATOM 0 HA VAL A 65 -6.740 -4.287 -6.344 1.00 23.22 H new ATOM 0 HB VAL A 65 -4.196 -4.487 -7.019 1.00 72.25 H new ATOM 0 HG11 VAL A 65 -4.872 -5.088 -9.303 1.00 14.52 H new ATOM 0 HG12 VAL A 65 -6.034 -5.680 -8.092 1.00 14.52 H new ATOM 0 HG13 VAL A 65 -6.417 -4.239 -9.063 1.00 14.52 H new ATOM 0 HG21 VAL A 65 -3.616 -3.019 -8.924 1.00 64.50 H new ATOM 0 HG22 VAL A 65 -5.122 -2.104 -8.669 1.00 64.50 H new ATOM 0 HG23 VAL A 65 -3.849 -2.088 -7.425 1.00 64.50 H new ATOM 958 N ILE A 66 -4.962 -4.254 -4.513 1.00 21.23 N ATOM 959 CA ILE A 66 -4.279 -4.184 -3.267 1.00 44.23 C ATOM 960 C ILE A 66 -3.017 -5.008 -3.404 1.00 40.14 C ATOM 961 O ILE A 66 -3.092 -6.161 -3.785 1.00 10.15 O ATOM 962 CB ILE A 66 -5.164 -4.770 -2.128 1.00 63.13 C ATOM 963 CG1 ILE A 66 -6.512 -4.023 -2.080 1.00 11.34 C ATOM 964 CG2 ILE A 66 -4.440 -4.673 -0.786 1.00 62.12 C ATOM 965 CD1 ILE A 66 -7.502 -4.549 -1.069 1.00 53.23 C ATOM 0 H ILE A 66 -5.154 -5.206 -4.826 1.00 21.23 H new ATOM 0 HA ILE A 66 -4.050 -3.148 -3.016 1.00 44.23 H new ATOM 0 HB ILE A 66 -5.356 -5.824 -2.331 1.00 63.13 H new ATOM 0 HG12 ILE A 66 -6.319 -2.972 -1.864 1.00 11.34 H new ATOM 0 HG13 ILE A 66 -6.969 -4.066 -3.069 1.00 11.34 H new ATOM 0 HG21 ILE A 66 -5.072 -5.087 -0.001 1.00 62.12 H new ATOM 0 HG22 ILE A 66 -3.507 -5.235 -0.834 1.00 62.12 H new ATOM 0 HG23 ILE A 66 -4.223 -3.628 -0.564 1.00 62.12 H new ATOM 0 HD11 ILE A 66 -8.416 -3.957 -1.113 1.00 53.23 H new ATOM 0 HD12 ILE A 66 -7.732 -5.591 -1.293 1.00 53.23 H new ATOM 0 HD13 ILE A 66 -7.073 -4.479 -0.069 1.00 53.23 H new ATOM 977 N PRO A 67 -1.842 -4.421 -3.193 1.00 24.34 N ATOM 978 CA PRO A 67 -0.583 -5.159 -3.262 1.00 14.32 C ATOM 979 C PRO A 67 -0.574 -6.333 -2.276 1.00 61.13 C ATOM 980 O PRO A 67 -0.816 -6.149 -1.083 1.00 73.03 O ATOM 981 CB PRO A 67 0.461 -4.118 -2.851 1.00 11.43 C ATOM 982 CG PRO A 67 -0.170 -2.811 -3.159 1.00 62.11 C ATOM 983 CD PRO A 67 -1.633 -2.995 -2.892 1.00 52.43 C ATOM 0 HA PRO A 67 -0.404 -5.590 -4.247 1.00 14.32 H new ATOM 0 HB2 PRO A 67 0.706 -4.200 -1.792 1.00 11.43 H new ATOM 0 HB3 PRO A 67 1.391 -4.249 -3.405 1.00 11.43 H new ATOM 0 HG2 PRO A 67 0.245 -2.019 -2.536 1.00 62.11 H new ATOM 0 HG3 PRO A 67 0.006 -2.526 -4.196 1.00 62.11 H new ATOM 0 HD2 PRO A 67 -1.889 -2.758 -1.859 1.00 52.43 H new ATOM 0 HD3 PRO A 67 -2.244 -2.354 -3.527 1.00 52.43 H new ATOM 991 N GLN A 68 -0.284 -7.536 -2.779 1.00 44.05 N ATOM 992 CA GLN A 68 -0.266 -8.746 -1.968 1.00 30.43 C ATOM 993 C GLN A 68 0.789 -8.667 -0.874 1.00 23.44 C ATOM 994 O GLN A 68 0.669 -9.287 0.163 1.00 74.43 O ATOM 995 CB GLN A 68 -0.069 -9.949 -2.873 1.00 30.25 C ATOM 996 CG GLN A 68 0.049 -11.285 -2.171 1.00 21.33 C ATOM 997 CD GLN A 68 -0.015 -12.446 -3.130 1.00 65.21 C ATOM 998 OE1 GLN A 68 -0.753 -12.289 -4.211 1.00 33.42 O flip ATOM 999 NE2 GLN A 68 0.578 -13.493 -2.891 1.00 42.41 N flip ATOM 0 H GLN A 68 -0.056 -7.693 -3.761 1.00 44.05 H new ATOM 0 HA GLN A 68 -1.222 -8.852 -1.456 1.00 30.43 H new ATOM 0 HB2 GLN A 68 -0.906 -9.998 -3.569 1.00 30.25 H new ATOM 0 HB3 GLN A 68 0.831 -9.790 -3.467 1.00 30.25 H new ATOM 0 HG2 GLN A 68 0.990 -11.322 -1.622 1.00 21.33 H new ATOM 0 HG3 GLN A 68 -0.752 -11.379 -1.437 1.00 21.33 H new ATOM 0 HE21 GLN A 68 1.140 -13.579 -2.044 1.00 42.41 H new ATOM 0 HE22 GLN A 68 0.509 -14.278 -3.539 1.00 42.41 H new ATOM 1008 N VAL A 69 1.788 -7.853 -1.122 1.00 53.51 N ATOM 1009 CA VAL A 69 2.892 -7.617 -0.195 1.00 35.03 C ATOM 1010 C VAL A 69 2.443 -6.867 1.095 1.00 4.01 C ATOM 1011 O VAL A 69 3.232 -6.643 1.999 1.00 30.54 O ATOM 1012 CB VAL A 69 4.025 -6.840 -0.900 1.00 41.20 C ATOM 1013 CG1 VAL A 69 4.628 -7.679 -2.020 1.00 54.31 C ATOM 1014 CG2 VAL A 69 3.503 -5.518 -1.457 1.00 34.01 C ATOM 0 H VAL A 69 1.866 -7.321 -1.989 1.00 53.51 H new ATOM 0 HA VAL A 69 3.260 -8.594 0.118 1.00 35.03 H new ATOM 0 HB VAL A 69 4.801 -6.626 -0.166 1.00 41.20 H new ATOM 0 HG11 VAL A 69 5.425 -7.117 -2.507 1.00 54.31 H new ATOM 0 HG12 VAL A 69 5.035 -8.601 -1.605 1.00 54.31 H new ATOM 0 HG13 VAL A 69 3.856 -7.920 -2.750 1.00 54.31 H new ATOM 0 HG21 VAL A 69 4.316 -4.985 -1.950 1.00 34.01 H new ATOM 0 HG22 VAL A 69 2.709 -5.715 -2.177 1.00 34.01 H new ATOM 0 HG23 VAL A 69 3.111 -4.909 -0.642 1.00 34.01 H new ATOM 1024 N PHE A 70 1.172 -6.465 1.143 1.00 73.51 N ATOM 1025 CA PHE A 70 0.592 -5.860 2.342 1.00 74.43 C ATOM 1026 C PHE A 70 0.077 -6.948 3.272 1.00 64.42 C ATOM 1027 O PHE A 70 -0.320 -6.699 4.422 1.00 32.50 O ATOM 1028 CB PHE A 70 -0.527 -4.864 1.979 1.00 33.44 C ATOM 1029 CG PHE A 70 -0.033 -3.472 1.680 1.00 11.13 C ATOM 1030 CD1 PHE A 70 1.034 -3.253 0.827 1.00 64.23 C ATOM 1031 CD2 PHE A 70 -0.615 -2.381 2.304 1.00 72.04 C ATOM 1032 CE1 PHE A 70 1.502 -1.975 0.597 1.00 53.30 C ATOM 1033 CE2 PHE A 70 -0.149 -1.105 2.085 1.00 3.11 C ATOM 1034 CZ PHE A 70 0.908 -0.900 1.232 1.00 71.31 C ATOM 0 H PHE A 70 0.522 -6.548 0.361 1.00 73.51 H new ATOM 0 HA PHE A 70 1.370 -5.298 2.859 1.00 74.43 H new ATOM 0 HB2 PHE A 70 -1.068 -5.241 1.111 1.00 33.44 H new ATOM 0 HB3 PHE A 70 -1.239 -4.817 2.803 1.00 33.44 H new ATOM 0 HD1 PHE A 70 1.506 -4.091 0.336 1.00 64.23 H new ATOM 0 HD2 PHE A 70 -1.448 -2.534 2.974 1.00 72.04 H new ATOM 0 HE1 PHE A 70 2.330 -1.815 -0.077 1.00 53.30 H new ATOM 0 HE2 PHE A 70 -0.613 -0.266 2.583 1.00 3.11 H new ATOM 0 HZ PHE A 70 1.275 0.101 1.057 1.00 71.31 H new ATOM 1044 N PHE A 71 0.103 -8.149 2.772 1.00 5.41 N ATOM 1045 CA PHE A 71 -0.305 -9.296 3.501 1.00 14.32 C ATOM 1046 C PHE A 71 0.889 -10.200 3.652 1.00 71.30 C ATOM 1047 O PHE A 71 1.870 -10.085 2.919 1.00 74.13 O ATOM 1048 CB PHE A 71 -1.419 -10.063 2.765 1.00 12.13 C ATOM 1049 CG PHE A 71 -2.714 -9.319 2.592 1.00 12.31 C ATOM 1050 CD1 PHE A 71 -2.913 -8.483 1.504 1.00 25.22 C ATOM 1051 CD2 PHE A 71 -3.742 -9.475 3.507 1.00 41.04 C ATOM 1052 CE1 PHE A 71 -4.109 -7.816 1.336 1.00 11.24 C ATOM 1053 CE2 PHE A 71 -4.942 -8.813 3.341 1.00 63.14 C ATOM 1054 CZ PHE A 71 -5.125 -7.982 2.255 1.00 34.32 C ATOM 0 H PHE A 71 0.417 -8.354 1.823 1.00 5.41 H new ATOM 0 HA PHE A 71 -0.693 -8.981 4.469 1.00 14.32 H new ATOM 0 HB2 PHE A 71 -1.050 -10.348 1.780 1.00 12.13 H new ATOM 0 HB3 PHE A 71 -1.621 -10.986 3.309 1.00 12.13 H new ATOM 0 HD1 PHE A 71 -2.123 -8.352 0.780 1.00 25.22 H new ATOM 0 HD2 PHE A 71 -3.603 -10.122 4.360 1.00 41.04 H new ATOM 0 HE1 PHE A 71 -4.250 -7.165 0.486 1.00 11.24 H new ATOM 0 HE2 PHE A 71 -5.737 -8.945 4.060 1.00 63.14 H new ATOM 0 HZ PHE A 71 -6.062 -7.462 2.124 1.00 34.32 H new ATOM 1064 N THR A 72 0.823 -11.066 4.596 1.00 62.51 N ATOM 1065 CA THR A 72 1.848 -12.030 4.780 1.00 4.21 C ATOM 1066 C THR A 72 1.512 -13.237 3.918 1.00 25.11 C ATOM 1067 O THR A 72 0.351 -13.396 3.499 1.00 4.52 O ATOM 1068 CB THR A 72 1.921 -12.459 6.256 1.00 11.10 C ATOM 1069 OG1 THR A 72 0.622 -12.902 6.683 1.00 50.24 O ATOM 1070 CG2 THR A 72 2.374 -11.306 7.140 1.00 25.31 C ATOM 0 H THR A 72 0.056 -11.128 5.265 1.00 62.51 H new ATOM 0 HA THR A 72 2.812 -11.607 4.497 1.00 4.21 H new ATOM 0 HB THR A 72 2.647 -13.267 6.346 1.00 11.10 H new ATOM 0 HG1 THR A 72 0.015 -12.134 6.734 1.00 50.24 H new ATOM 0 HG21 THR A 72 2.416 -11.638 8.177 1.00 25.31 H new ATOM 0 HG22 THR A 72 3.363 -10.973 6.825 1.00 25.31 H new ATOM 0 HG23 THR A 72 1.668 -10.481 7.052 1.00 25.31 H new ATOM 1078 N ASN A 73 2.478 -14.102 3.674 1.00 72.41 N ATOM 1079 CA ASN A 73 2.236 -15.325 2.905 1.00 72.43 C ATOM 1080 C ASN A 73 1.301 -16.261 3.673 1.00 13.10 C ATOM 1081 O ASN A 73 0.706 -17.167 3.109 1.00 54.21 O ATOM 1082 CB ASN A 73 3.550 -16.037 2.464 1.00 30.31 C ATOM 1083 CG ASN A 73 4.449 -16.494 3.606 1.00 33.13 C ATOM 1084 OD1 ASN A 73 4.337 -17.619 4.105 1.00 21.22 O ATOM 1085 ND2 ASN A 73 5.371 -15.645 4.002 1.00 72.41 N ATOM 0 H ASN A 73 3.440 -13.988 3.994 1.00 72.41 H new ATOM 0 HA ASN A 73 1.741 -15.034 1.978 1.00 72.43 H new ATOM 0 HB2 ASN A 73 3.290 -16.904 1.857 1.00 30.31 H new ATOM 0 HB3 ASN A 73 4.116 -15.359 1.825 1.00 30.31 H new ATOM 0 HD21 ASN A 73 6.022 -15.907 4.743 1.00 72.41 H new ATOM 0 HD22 ASN A 73 5.436 -14.724 3.569 1.00 72.41 H new ATOM 1092 N SER A 74 1.158 -16.001 4.959 1.00 74.22 N ATOM 1093 CA SER A 74 0.257 -16.738 5.810 1.00 62.15 C ATOM 1094 C SER A 74 -1.205 -16.241 5.632 1.00 12.44 C ATOM 1095 O SER A 74 -2.141 -16.847 6.147 1.00 21.32 O ATOM 1096 CB SER A 74 0.710 -16.566 7.251 1.00 14.34 C ATOM 1097 OG SER A 74 2.087 -16.894 7.367 1.00 2.45 O ATOM 0 H SER A 74 1.671 -15.264 5.442 1.00 74.22 H new ATOM 0 HA SER A 74 0.277 -17.793 5.538 1.00 62.15 H new ATOM 0 HB2 SER A 74 0.544 -15.538 7.573 1.00 14.34 H new ATOM 0 HB3 SER A 74 0.118 -17.205 7.906 1.00 14.34 H new ATOM 0 HG SER A 74 2.373 -16.780 8.297 1.00 2.45 H new ATOM 1103 N GLY A 75 -1.386 -15.127 4.911 1.00 20.11 N ATOM 1104 CA GLY A 75 -2.724 -14.606 4.642 1.00 31.35 C ATOM 1105 C GLY A 75 -3.160 -13.543 5.631 1.00 51.42 C ATOM 1106 O GLY A 75 -4.241 -12.962 5.502 1.00 30.15 O ATOM 0 H GLY A 75 -0.628 -14.576 4.508 1.00 20.11 H new ATOM 0 HA2 GLY A 75 -2.749 -14.189 3.635 1.00 31.35 H new ATOM 0 HA3 GLY A 75 -3.439 -15.429 4.664 1.00 31.35 H new ATOM 1110 N GLN A 76 -2.322 -13.277 6.598 1.00 4.51 N ATOM 1111 CA GLN A 76 -2.637 -12.320 7.639 1.00 60.13 C ATOM 1112 C GLN A 76 -2.165 -10.948 7.222 1.00 13.35 C ATOM 1113 O GLN A 76 -1.209 -10.833 6.442 1.00 54.11 O ATOM 1114 CB GLN A 76 -1.894 -12.675 8.917 1.00 10.10 C ATOM 1115 CG GLN A 76 -2.096 -14.084 9.423 1.00 71.11 C ATOM 1116 CD GLN A 76 -1.256 -14.344 10.651 1.00 20.02 C ATOM 1117 OE1 GLN A 76 -0.178 -13.754 10.823 1.00 61.52 O ATOM 1118 NE2 GLN A 76 -1.721 -15.202 11.511 1.00 23.13 N ATOM 0 H GLN A 76 -1.404 -13.713 6.691 1.00 4.51 H new ATOM 0 HA GLN A 76 -3.715 -12.336 7.802 1.00 60.13 H new ATOM 0 HB2 GLN A 76 -0.828 -12.517 8.751 1.00 10.10 H new ATOM 0 HB3 GLN A 76 -2.201 -11.980 9.699 1.00 10.10 H new ATOM 0 HG2 GLN A 76 -3.149 -14.242 9.658 1.00 71.11 H new ATOM 0 HG3 GLN A 76 -1.833 -14.796 8.641 1.00 71.11 H new ATOM 0 HE21 GLN A 76 -2.611 -15.668 11.336 1.00 23.13 H new ATOM 0 HE22 GLN A 76 -1.195 -15.409 12.360 1.00 23.13 H new ATOM 1127 N VAL A 77 -2.805 -9.930 7.722 1.00 54.23 N ATOM 1128 CA VAL A 77 -2.323 -8.586 7.545 1.00 40.04 C ATOM 1129 C VAL A 77 -1.099 -8.427 8.427 1.00 33.34 C ATOM 1130 O VAL A 77 -1.078 -8.928 9.558 1.00 21.43 O ATOM 1131 CB VAL A 77 -3.424 -7.520 7.894 1.00 72.31 C ATOM 1132 CG1 VAL A 77 -2.826 -6.138 8.122 1.00 11.24 C ATOM 1133 CG2 VAL A 77 -4.417 -7.430 6.757 1.00 5.22 C ATOM 0 H VAL A 77 -3.669 -10.004 8.260 1.00 54.23 H new ATOM 0 HA VAL A 77 -2.065 -8.416 6.500 1.00 40.04 H new ATOM 0 HB VAL A 77 -3.911 -7.842 8.814 1.00 72.31 H new ATOM 0 HG11 VAL A 77 -3.622 -5.432 8.360 1.00 11.24 H new ATOM 0 HG12 VAL A 77 -2.118 -6.180 8.950 1.00 11.24 H new ATOM 0 HG13 VAL A 77 -2.310 -5.811 7.219 1.00 11.24 H new ATOM 0 HG21 VAL A 77 -5.181 -6.691 6.999 1.00 5.22 H new ATOM 0 HG22 VAL A 77 -3.900 -7.132 5.845 1.00 5.22 H new ATOM 0 HG23 VAL A 77 -4.887 -8.402 6.607 1.00 5.22 H new ATOM 1143 N VAL A 78 -0.069 -7.817 7.899 1.00 24.03 N ATOM 1144 CA VAL A 78 1.156 -7.605 8.640 1.00 13.42 C ATOM 1145 C VAL A 78 0.840 -6.739 9.859 1.00 45.52 C ATOM 1146 O VAL A 78 0.212 -5.704 9.729 1.00 31.52 O ATOM 1147 CB VAL A 78 2.221 -6.897 7.758 1.00 33.12 C ATOM 1148 CG1 VAL A 78 3.571 -6.821 8.461 1.00 12.42 C ATOM 1149 CG2 VAL A 78 2.352 -7.587 6.408 1.00 14.02 C ATOM 0 H VAL A 78 -0.052 -7.453 6.946 1.00 24.03 H new ATOM 0 HA VAL A 78 1.560 -8.568 8.950 1.00 13.42 H new ATOM 0 HB VAL A 78 1.881 -5.875 7.589 1.00 33.12 H new ATOM 0 HG11 VAL A 78 4.291 -6.320 7.814 1.00 12.42 H new ATOM 0 HG12 VAL A 78 3.466 -6.261 9.390 1.00 12.42 H new ATOM 0 HG13 VAL A 78 3.923 -7.828 8.683 1.00 12.42 H new ATOM 0 HG21 VAL A 78 3.103 -7.073 5.808 1.00 14.02 H new ATOM 0 HG22 VAL A 78 2.653 -8.624 6.557 1.00 14.02 H new ATOM 0 HG23 VAL A 78 1.393 -7.559 5.890 1.00 14.02 H new ATOM 1159 N LYS A 79 1.260 -7.173 11.035 1.00 61.22 N ATOM 1160 CA LYS A 79 0.965 -6.430 12.276 1.00 64.42 C ATOM 1161 C LYS A 79 1.582 -5.034 12.289 1.00 61.33 C ATOM 1162 O LYS A 79 1.125 -4.140 12.998 1.00 3.42 O ATOM 1163 CB LYS A 79 1.346 -7.199 13.544 1.00 71.23 C ATOM 1164 CG LYS A 79 2.809 -7.521 13.660 1.00 21.21 C ATOM 1165 CD LYS A 79 3.221 -8.874 13.029 1.00 14.32 C ATOM 1166 CE LYS A 79 2.721 -10.118 13.815 1.00 72.00 C ATOM 1167 NZ LYS A 79 1.243 -10.314 13.787 1.00 24.41 N ATOM 0 H LYS A 79 1.802 -8.026 11.170 1.00 61.22 H new ATOM 0 HA LYS A 79 -0.119 -6.314 12.281 1.00 64.42 H new ATOM 0 HB2 LYS A 79 1.045 -6.614 14.413 1.00 71.23 H new ATOM 0 HB3 LYS A 79 0.778 -8.129 13.574 1.00 71.23 H new ATOM 0 HG2 LYS A 79 3.382 -6.724 13.186 1.00 21.21 H new ATOM 0 HG3 LYS A 79 3.084 -7.528 14.715 1.00 21.21 H new ATOM 0 HD2 LYS A 79 2.834 -8.921 12.011 1.00 14.32 H new ATOM 0 HD3 LYS A 79 4.308 -8.914 12.959 1.00 14.32 H new ATOM 0 HE2 LYS A 79 3.201 -11.007 13.406 1.00 72.00 H new ATOM 0 HE3 LYS A 79 3.044 -10.030 14.852 1.00 72.00 H new ATOM 0 HZ1 LYS A 79 1.027 -11.330 13.838 1.00 24.41 H new ATOM 0 HZ2 LYS A 79 0.813 -9.827 14.599 1.00 24.41 H new ATOM 0 HZ3 LYS A 79 0.857 -9.922 12.904 1.00 24.41 H new ATOM 1181 N SER A 80 2.594 -4.854 11.501 1.00 0.54 N ATOM 1182 CA SER A 80 3.273 -3.599 11.394 1.00 43.54 C ATOM 1183 C SER A 80 2.602 -2.702 10.331 1.00 2.20 C ATOM 1184 O SER A 80 2.912 -1.510 10.227 1.00 64.24 O ATOM 1185 CB SER A 80 4.705 -3.891 11.011 1.00 3.01 C ATOM 1186 OG SER A 80 5.224 -4.925 11.836 1.00 42.22 O ATOM 0 H SER A 80 2.979 -5.586 10.904 1.00 0.54 H new ATOM 0 HA SER A 80 3.231 -3.064 12.342 1.00 43.54 H new ATOM 0 HB2 SER A 80 4.757 -4.188 9.964 1.00 3.01 H new ATOM 0 HB3 SER A 80 5.310 -2.991 11.117 1.00 3.01 H new ATOM 0 HG SER A 80 6.190 -4.802 11.945 1.00 42.22 H new ATOM 1192 N LEU A 81 1.644 -3.274 9.582 1.00 3.31 N ATOM 1193 CA LEU A 81 0.974 -2.555 8.507 1.00 33.33 C ATOM 1194 C LEU A 81 0.182 -1.354 9.049 1.00 24.34 C ATOM 1195 O LEU A 81 0.470 -0.224 8.658 1.00 50.05 O ATOM 1196 CB LEU A 81 0.070 -3.470 7.659 1.00 4.13 C ATOM 1197 CG LEU A 81 -0.428 -2.882 6.356 1.00 54.12 C ATOM 1198 CD1 LEU A 81 0.705 -2.791 5.375 1.00 42.25 C ATOM 1199 CD2 LEU A 81 -1.545 -3.715 5.793 1.00 11.32 C ATOM 0 H LEU A 81 1.322 -4.234 9.709 1.00 3.31 H new ATOM 0 HA LEU A 81 1.757 -2.181 7.848 1.00 33.33 H new ATOM 0 HB2 LEU A 81 0.619 -4.385 7.436 1.00 4.13 H new ATOM 0 HB3 LEU A 81 -0.793 -3.754 8.261 1.00 4.13 H new ATOM 0 HG LEU A 81 -0.814 -1.881 6.546 1.00 54.12 H new ATOM 0 HD11 LEU A 81 0.342 -2.367 4.439 1.00 42.25 H new ATOM 0 HD12 LEU A 81 1.489 -2.153 5.783 1.00 42.25 H new ATOM 0 HD13 LEU A 81 1.108 -3.787 5.191 1.00 42.25 H new ATOM 0 HD21 LEU A 81 -1.890 -3.276 4.857 1.00 11.32 H new ATOM 0 HD22 LEU A 81 -1.187 -4.728 5.609 1.00 11.32 H new ATOM 0 HD23 LEU A 81 -2.370 -3.746 6.505 1.00 11.32 H new ATOM 1211 N PRO A 82 -0.788 -1.542 10.024 1.00 72.33 N ATOM 1212 CA PRO A 82 -1.569 -0.417 10.550 1.00 61.21 C ATOM 1213 C PRO A 82 -0.662 0.587 11.253 1.00 53.31 C ATOM 1214 O PRO A 82 -0.960 1.779 11.316 1.00 54.21 O ATOM 1215 CB PRO A 82 -2.540 -1.066 11.555 1.00 10.55 C ATOM 1216 CG PRO A 82 -2.551 -2.511 11.199 1.00 41.15 C ATOM 1217 CD PRO A 82 -1.178 -2.809 10.703 1.00 63.11 C ATOM 0 HA PRO A 82 -2.086 0.134 9.765 1.00 61.21 H new ATOM 0 HB2 PRO A 82 -2.206 -0.915 12.581 1.00 10.55 H new ATOM 0 HB3 PRO A 82 -3.537 -0.632 11.477 1.00 10.55 H new ATOM 0 HG2 PRO A 82 -2.798 -3.126 12.064 1.00 41.15 H new ATOM 0 HG3 PRO A 82 -3.299 -2.721 10.434 1.00 41.15 H new ATOM 0 HD2 PRO A 82 -0.498 -3.056 11.519 1.00 63.11 H new ATOM 0 HD3 PRO A 82 -1.171 -3.655 10.015 1.00 63.11 H new ATOM 1225 N GLY A 83 0.476 0.096 11.731 1.00 32.22 N ATOM 1226 CA GLY A 83 1.422 0.931 12.413 1.00 45.44 C ATOM 1227 C GLY A 83 2.077 1.916 11.474 1.00 11.40 C ATOM 1228 O GLY A 83 2.175 3.105 11.798 1.00 15.23 O ATOM 0 H GLY A 83 0.755 -0.882 11.652 1.00 32.22 H new ATOM 0 HA2 GLY A 83 0.919 1.472 13.214 1.00 45.44 H new ATOM 0 HA3 GLY A 83 2.186 0.309 12.879 1.00 45.44 H new ATOM 1232 N LEU A 84 2.502 1.445 10.304 1.00 51.03 N ATOM 1233 CA LEU A 84 3.104 2.330 9.322 1.00 73.24 C ATOM 1234 C LEU A 84 2.036 3.265 8.778 1.00 71.51 C ATOM 1235 O LEU A 84 2.261 4.456 8.614 1.00 14.34 O ATOM 1236 CB LEU A 84 3.841 1.548 8.189 1.00 51.33 C ATOM 1237 CG LEU A 84 3.005 0.968 7.028 1.00 41.43 C ATOM 1238 CD1 LEU A 84 2.870 1.977 5.866 1.00 11.10 C ATOM 1239 CD2 LEU A 84 3.596 -0.343 6.542 1.00 2.45 C ATOM 0 H LEU A 84 2.440 0.468 10.019 1.00 51.03 H new ATOM 0 HA LEU A 84 3.877 2.923 9.810 1.00 73.24 H new ATOM 0 HB2 LEU A 84 4.588 2.215 7.758 1.00 51.33 H new ATOM 0 HB3 LEU A 84 4.380 0.722 8.653 1.00 51.33 H new ATOM 0 HG LEU A 84 2.003 0.772 7.409 1.00 41.43 H new ATOM 0 HD11 LEU A 84 2.275 1.534 5.067 1.00 11.10 H new ATOM 0 HD12 LEU A 84 2.379 2.882 6.225 1.00 11.10 H new ATOM 0 HD13 LEU A 84 3.860 2.228 5.485 1.00 11.10 H new ATOM 0 HD21 LEU A 84 2.991 -0.734 5.724 1.00 2.45 H new ATOM 0 HD22 LEU A 84 4.615 -0.175 6.192 1.00 2.45 H new ATOM 0 HD23 LEU A 84 3.607 -1.063 7.361 1.00 2.45 H new ATOM 1251 N LEU A 85 0.849 2.715 8.550 1.00 65.42 N ATOM 1252 CA LEU A 85 -0.255 3.483 8.002 1.00 12.20 C ATOM 1253 C LEU A 85 -0.606 4.639 8.908 1.00 4.33 C ATOM 1254 O LEU A 85 -0.855 5.734 8.439 1.00 52.21 O ATOM 1255 CB LEU A 85 -1.484 2.605 7.755 1.00 34.13 C ATOM 1256 CG LEU A 85 -1.275 1.401 6.838 1.00 34.41 C ATOM 1257 CD1 LEU A 85 -2.570 0.653 6.629 1.00 10.41 C ATOM 1258 CD2 LEU A 85 -0.671 1.819 5.516 1.00 3.41 C ATOM 0 H LEU A 85 0.629 1.737 8.738 1.00 65.42 H new ATOM 0 HA LEU A 85 0.069 3.880 7.040 1.00 12.20 H new ATOM 0 HB2 LEU A 85 -1.847 2.245 8.717 1.00 34.13 H new ATOM 0 HB3 LEU A 85 -2.271 3.228 7.330 1.00 34.13 H new ATOM 0 HG LEU A 85 -0.571 0.727 7.326 1.00 34.41 H new ATOM 0 HD11 LEU A 85 -2.396 -0.200 5.973 1.00 10.41 H new ATOM 0 HD12 LEU A 85 -2.946 0.301 7.590 1.00 10.41 H new ATOM 0 HD13 LEU A 85 -3.304 1.317 6.173 1.00 10.41 H new ATOM 0 HD21 LEU A 85 -0.534 0.941 4.885 1.00 3.41 H new ATOM 0 HD22 LEU A 85 -1.337 2.524 5.018 1.00 3.41 H new ATOM 0 HD23 LEU A 85 0.294 2.294 5.691 1.00 3.41 H new ATOM 1270 N THR A 86 -0.560 4.395 10.201 1.00 24.21 N ATOM 1271 CA THR A 86 -0.869 5.420 11.181 1.00 14.50 C ATOM 1272 C THR A 86 0.107 6.611 11.077 1.00 51.05 C ATOM 1273 O THR A 86 -0.321 7.760 10.972 1.00 71.34 O ATOM 1274 CB THR A 86 -0.863 4.845 12.627 1.00 52.42 C ATOM 1275 OG1 THR A 86 -1.854 3.799 12.740 1.00 12.51 O ATOM 1276 CG2 THR A 86 -1.166 5.931 13.655 1.00 61.11 C ATOM 0 H THR A 86 -0.310 3.491 10.601 1.00 24.21 H new ATOM 0 HA THR A 86 -1.874 5.780 10.960 1.00 14.50 H new ATOM 0 HB THR A 86 0.131 4.445 12.825 1.00 52.42 H new ATOM 0 HG1 THR A 86 -1.659 3.092 12.090 1.00 12.51 H new ATOM 0 HG21 THR A 86 -1.155 5.498 14.655 1.00 61.11 H new ATOM 0 HG22 THR A 86 -0.411 6.714 13.590 1.00 61.11 H new ATOM 0 HG23 THR A 86 -2.149 6.357 13.455 1.00 61.11 H new ATOM 1284 N ILE A 87 1.400 6.321 11.026 1.00 60.51 N ATOM 1285 CA ILE A 87 2.407 7.372 11.026 1.00 10.32 C ATOM 1286 C ILE A 87 2.371 8.207 9.718 1.00 74.32 C ATOM 1287 O ILE A 87 2.405 9.438 9.771 1.00 22.04 O ATOM 1288 CB ILE A 87 3.841 6.809 11.434 1.00 0.21 C ATOM 1289 CG1 ILE A 87 4.936 7.905 11.598 1.00 64.43 C ATOM 1290 CG2 ILE A 87 4.319 5.711 10.503 1.00 74.05 C ATOM 1291 CD1 ILE A 87 5.507 8.471 10.314 1.00 51.04 C ATOM 0 H ILE A 87 1.774 5.373 10.984 1.00 60.51 H new ATOM 0 HA ILE A 87 2.160 8.089 11.809 1.00 10.32 H new ATOM 0 HB ILE A 87 3.688 6.378 12.423 1.00 0.21 H new ATOM 0 HG12 ILE A 87 4.516 8.726 12.178 1.00 64.43 H new ATOM 0 HG13 ILE A 87 5.755 7.487 12.183 1.00 64.43 H new ATOM 0 HG21 ILE A 87 5.300 5.362 10.825 1.00 74.05 H new ATOM 0 HG22 ILE A 87 3.613 4.881 10.527 1.00 74.05 H new ATOM 0 HG23 ILE A 87 4.388 6.100 9.487 1.00 74.05 H new ATOM 0 HD11 ILE A 87 6.259 9.224 10.551 1.00 51.04 H new ATOM 0 HD12 ILE A 87 5.966 7.669 9.735 1.00 51.04 H new ATOM 0 HD13 ILE A 87 4.708 8.928 9.730 1.00 51.04 H new ATOM 1303 N LEU A 88 2.262 7.556 8.560 1.00 43.42 N ATOM 1304 CA LEU A 88 2.151 8.306 7.296 1.00 11.23 C ATOM 1305 C LEU A 88 0.844 9.073 7.196 1.00 33.21 C ATOM 1306 O LEU A 88 0.800 10.173 6.629 1.00 52.24 O ATOM 1307 CB LEU A 88 2.330 7.452 6.042 1.00 34.24 C ATOM 1308 CG LEU A 88 3.730 6.926 5.705 1.00 13.33 C ATOM 1309 CD1 LEU A 88 4.792 8.017 5.787 1.00 62.35 C ATOM 1310 CD2 LEU A 88 4.089 5.721 6.523 1.00 2.20 C ATOM 0 H LEU A 88 2.248 6.541 8.464 1.00 43.42 H new ATOM 0 HA LEU A 88 2.984 9.008 7.332 1.00 11.23 H new ATOM 0 HB2 LEU A 88 1.666 6.592 6.130 1.00 34.24 H new ATOM 0 HB3 LEU A 88 1.983 8.037 5.191 1.00 34.24 H new ATOM 0 HG LEU A 88 3.701 6.602 4.665 1.00 13.33 H new ATOM 0 HD11 LEU A 88 5.766 7.596 5.540 1.00 62.35 H new ATOM 0 HD12 LEU A 88 4.551 8.813 5.082 1.00 62.35 H new ATOM 0 HD13 LEU A 88 4.818 8.424 6.798 1.00 62.35 H new ATOM 0 HD21 LEU A 88 5.089 5.382 6.252 1.00 2.20 H new ATOM 0 HD22 LEU A 88 4.069 5.981 7.581 1.00 2.20 H new ATOM 0 HD23 LEU A 88 3.371 4.924 6.331 1.00 2.20 H new ATOM 1322 N HIS A 89 -0.218 8.487 7.724 1.00 13.50 N ATOM 1323 CA HIS A 89 -1.532 9.122 7.706 1.00 34.42 C ATOM 1324 C HIS A 89 -1.470 10.387 8.541 1.00 70.04 C ATOM 1325 O HIS A 89 -1.974 11.429 8.140 1.00 21.32 O ATOM 1326 CB HIS A 89 -2.597 8.168 8.269 1.00 22.22 C ATOM 1327 CG HIS A 89 -4.016 8.620 8.093 1.00 4.50 C ATOM 1328 ND1 HIS A 89 -4.759 9.247 9.070 1.00 40.43 N ATOM 1329 CD2 HIS A 89 -4.840 8.488 7.024 1.00 11.51 C ATOM 1330 CE1 HIS A 89 -5.981 9.465 8.581 1.00 41.41 C ATOM 1331 NE2 HIS A 89 -6.084 9.020 7.334 1.00 2.42 N ATOM 0 H HIS A 89 -0.199 7.571 8.172 1.00 13.50 H new ATOM 0 HA HIS A 89 -1.806 9.367 6.680 1.00 34.42 H new ATOM 0 HB2 HIS A 89 -2.480 7.196 7.790 1.00 22.22 H new ATOM 0 HB3 HIS A 89 -2.407 8.025 9.333 1.00 22.22 H new ATOM 0 HD2 HIS A 89 -4.570 8.039 6.079 1.00 11.51 H new ATOM 0 HE1 HIS A 89 -6.782 9.941 9.128 1.00 41.41 H new ATOM 0 HE2 HIS A 89 -6.905 9.061 6.730 1.00 2.42 H new ATOM 1339 N ASP A 90 -0.788 10.277 9.675 1.00 54.21 N ATOM 1340 CA ASP A 90 -0.594 11.383 10.612 1.00 13.41 C ATOM 1341 C ASP A 90 0.242 12.477 9.979 1.00 74.53 C ATOM 1342 O ASP A 90 0.045 13.660 10.249 1.00 62.10 O ATOM 1343 CB ASP A 90 0.117 10.867 11.867 1.00 41.43 C ATOM 1344 CG ASP A 90 0.302 11.915 12.940 1.00 14.52 C ATOM 1345 OD1 ASP A 90 -0.658 12.166 13.702 1.00 44.25 O ATOM 1346 OD2 ASP A 90 1.415 12.480 13.079 1.00 53.41 O ATOM 0 H ASP A 90 -0.348 9.407 9.976 1.00 54.21 H new ATOM 0 HA ASP A 90 -1.569 11.793 10.876 1.00 13.41 H new ATOM 0 HB2 ASP A 90 -0.454 10.035 12.280 1.00 41.43 H new ATOM 0 HB3 ASP A 90 1.094 10.474 11.584 1.00 41.43 H new ATOM 1351 N GLY A 91 1.138 12.073 9.094 1.00 60.45 N ATOM 1352 CA GLY A 91 1.993 13.014 8.413 1.00 11.54 C ATOM 1353 C GLY A 91 1.339 13.627 7.189 1.00 50.43 C ATOM 1354 O GLY A 91 1.875 14.564 6.602 1.00 2.12 O ATOM 0 H GLY A 91 1.288 11.098 8.834 1.00 60.45 H new ATOM 0 HA2 GLY A 91 2.274 13.808 9.105 1.00 11.54 H new ATOM 0 HA3 GLY A 91 2.913 12.511 8.114 1.00 11.54 H new ATOM 1358 N GLY A 92 0.197 13.098 6.804 1.00 34.01 N ATOM 1359 CA GLY A 92 -0.529 13.631 5.673 1.00 43.45 C ATOM 1360 C GLY A 92 -0.003 13.156 4.331 1.00 63.15 C ATOM 1361 O GLY A 92 0.183 13.963 3.410 1.00 72.33 O ATOM 0 H GLY A 92 -0.248 12.300 7.258 1.00 34.01 H new ATOM 0 HA2 GLY A 92 -1.579 13.351 5.762 1.00 43.45 H new ATOM 0 HA3 GLY A 92 -0.486 14.720 5.705 1.00 43.45 H new ATOM 1365 N TYR A 93 0.247 11.867 4.211 1.00 63.13 N ATOM 1366 CA TYR A 93 0.700 11.279 2.951 1.00 51.51 C ATOM 1367 C TYR A 93 -0.392 10.397 2.370 1.00 43.01 C ATOM 1368 O TYR A 93 -1.129 9.743 3.117 1.00 24.52 O ATOM 1369 CB TYR A 93 2.011 10.500 3.150 1.00 2.02 C ATOM 1370 CG TYR A 93 3.160 11.398 3.548 1.00 41.24 C ATOM 1371 CD1 TYR A 93 3.422 11.682 4.881 1.00 22.03 C ATOM 1372 CD2 TYR A 93 3.960 11.991 2.586 1.00 4.50 C ATOM 1373 CE1 TYR A 93 4.444 12.533 5.239 1.00 4.42 C ATOM 1374 CE2 TYR A 93 4.991 12.836 2.939 1.00 64.41 C ATOM 1375 CZ TYR A 93 5.227 13.104 4.263 1.00 74.02 C ATOM 1376 OH TYR A 93 6.238 13.969 4.613 1.00 10.31 O ATOM 0 H TYR A 93 0.145 11.197 4.973 1.00 63.13 H new ATOM 0 HA TYR A 93 0.906 12.079 2.240 1.00 51.51 H new ATOM 0 HB2 TYR A 93 1.866 9.739 3.917 1.00 2.02 H new ATOM 0 HB3 TYR A 93 2.264 9.978 2.227 1.00 2.02 H new ATOM 0 HD1 TYR A 93 2.815 11.228 5.650 1.00 22.03 H new ATOM 0 HD2 TYR A 93 3.773 11.788 1.542 1.00 4.50 H new ATOM 0 HE1 TYR A 93 4.630 12.751 6.280 1.00 4.42 H new ATOM 0 HE2 TYR A 93 5.610 13.285 2.176 1.00 64.41 H new ATOM 0 HH TYR A 93 7.077 13.471 4.704 1.00 10.31 H new ATOM 1386 N ARG A 94 -0.523 10.408 1.058 1.00 33.51 N ATOM 1387 CA ARG A 94 -1.588 9.666 0.372 1.00 50.42 C ATOM 1388 C ARG A 94 -1.148 8.220 0.062 1.00 3.24 C ATOM 1389 O ARG A 94 0.039 7.886 0.180 1.00 41.32 O ATOM 1390 CB ARG A 94 -1.993 10.393 -0.922 1.00 63.53 C ATOM 1391 CG ARG A 94 -1.022 10.205 -2.072 1.00 34.20 C ATOM 1392 CD ARG A 94 -1.190 11.263 -3.146 1.00 31.32 C ATOM 1393 NE ARG A 94 -0.615 12.543 -2.726 1.00 73.11 N ATOM 1394 CZ ARG A 94 -0.657 13.688 -3.429 1.00 4.10 C ATOM 1395 NH1 ARG A 94 -1.335 13.754 -4.579 1.00 74.31 N ATOM 1396 NH2 ARG A 94 -0.003 14.757 -2.981 1.00 41.41 N ATOM 0 H ARG A 94 0.095 10.924 0.432 1.00 33.51 H new ATOM 0 HA ARG A 94 -2.451 9.619 1.036 1.00 50.42 H new ATOM 0 HB2 ARG A 94 -2.977 10.040 -1.231 1.00 63.53 H new ATOM 0 HB3 ARG A 94 -2.088 11.458 -0.712 1.00 63.53 H new ATOM 0 HG2 ARG A 94 -0.001 10.236 -1.691 1.00 34.20 H new ATOM 0 HG3 ARG A 94 -1.169 9.218 -2.511 1.00 34.20 H new ATOM 0 HD2 ARG A 94 -0.709 10.930 -4.066 1.00 31.32 H new ATOM 0 HD3 ARG A 94 -2.249 11.393 -3.369 1.00 31.32 H new ATOM 0 HE ARG A 94 -0.142 12.568 -1.823 1.00 73.11 H new ATOM 0 HH11 ARG A 94 -1.826 12.931 -4.930 1.00 74.31 H new ATOM 0 HH12 ARG A 94 -1.362 14.627 -5.106 1.00 74.31 H new ATOM 0 HH21 ARG A 94 0.525 14.704 -2.110 1.00 41.41 H new ATOM 0 HH22 ARG A 94 -0.030 15.630 -3.509 1.00 41.41 H new ATOM 1410 N ASP A 95 -2.101 7.406 -0.391 1.00 65.00 N ATOM 1411 CA ASP A 95 -1.913 5.963 -0.692 1.00 42.21 C ATOM 1412 C ASP A 95 -0.771 5.732 -1.677 1.00 10.22 C ATOM 1413 O ASP A 95 0.110 4.892 -1.454 1.00 1.24 O ATOM 1414 CB ASP A 95 -3.217 5.398 -1.309 1.00 45.45 C ATOM 1415 CG ASP A 95 -3.626 6.133 -2.592 1.00 11.04 C ATOM 1416 OD1 ASP A 95 -4.099 7.280 -2.495 1.00 5.04 O ATOM 1417 OD2 ASP A 95 -3.378 5.620 -3.713 1.00 1.25 O ATOM 0 H ASP A 95 -3.053 7.727 -0.567 1.00 65.00 H new ATOM 0 HA ASP A 95 -1.669 5.458 0.242 1.00 42.21 H new ATOM 0 HB2 ASP A 95 -3.082 4.339 -1.528 1.00 45.45 H new ATOM 0 HB3 ASP A 95 -4.023 5.473 -0.579 1.00 45.45 H new ATOM 1422 N THR A 96 -0.764 6.519 -2.709 1.00 62.51 N ATOM 1423 CA THR A 96 0.188 6.444 -3.751 1.00 11.42 C ATOM 1424 C THR A 96 1.600 6.775 -3.216 1.00 72.50 C ATOM 1425 O THR A 96 2.584 6.133 -3.579 1.00 34.23 O ATOM 1426 CB THR A 96 -0.246 7.362 -4.901 1.00 32.53 C ATOM 1427 OG1 THR A 96 -1.643 7.079 -5.222 1.00 4.14 O ATOM 1428 CG2 THR A 96 0.604 7.116 -6.128 1.00 23.32 C ATOM 0 H THR A 96 -1.454 7.258 -2.845 1.00 62.51 H new ATOM 0 HA THR A 96 0.238 5.428 -4.143 1.00 11.42 H new ATOM 0 HB THR A 96 -0.125 8.401 -4.595 1.00 32.53 H new ATOM 0 HG1 THR A 96 -1.996 6.418 -4.591 1.00 4.14 H new ATOM 0 HG21 THR A 96 0.281 7.776 -6.933 1.00 23.32 H new ATOM 0 HG22 THR A 96 1.649 7.315 -5.892 1.00 23.32 H new ATOM 0 HG23 THR A 96 0.495 6.079 -6.444 1.00 23.32 H new ATOM 1436 N GLU A 97 1.673 7.766 -2.335 1.00 4.20 N ATOM 1437 CA GLU A 97 2.936 8.182 -1.736 1.00 74.21 C ATOM 1438 C GLU A 97 3.520 7.095 -0.850 1.00 65.15 C ATOM 1439 O GLU A 97 4.733 6.921 -0.818 1.00 71.31 O ATOM 1440 CB GLU A 97 2.778 9.472 -0.955 1.00 35.44 C ATOM 1441 CG GLU A 97 2.499 10.675 -1.818 1.00 21.11 C ATOM 1442 CD GLU A 97 2.199 11.894 -1.000 1.00 24.51 C ATOM 1443 OE1 GLU A 97 1.023 12.075 -0.595 1.00 14.00 O ATOM 1444 OE2 GLU A 97 3.104 12.686 -0.749 1.00 32.14 O ATOM 0 H GLU A 97 0.865 8.301 -2.017 1.00 4.20 H new ATOM 0 HA GLU A 97 3.633 8.361 -2.555 1.00 74.21 H new ATOM 0 HB2 GLU A 97 1.965 9.355 -0.238 1.00 35.44 H new ATOM 0 HB3 GLU A 97 3.687 9.652 -0.380 1.00 35.44 H new ATOM 0 HG2 GLU A 97 3.360 10.870 -2.457 1.00 21.11 H new ATOM 0 HG3 GLU A 97 1.656 10.462 -2.475 1.00 21.11 H new ATOM 1451 N ILE A 98 2.653 6.340 -0.163 1.00 74.41 N ATOM 1452 CA ILE A 98 3.118 5.251 0.714 1.00 65.31 C ATOM 1453 C ILE A 98 3.858 4.244 -0.147 1.00 4.14 C ATOM 1454 O ILE A 98 4.987 3.846 0.144 1.00 60.30 O ATOM 1455 CB ILE A 98 1.942 4.476 1.411 1.00 14.20 C ATOM 1456 CG1 ILE A 98 0.899 5.408 2.038 1.00 64.25 C ATOM 1457 CG2 ILE A 98 2.479 3.528 2.473 1.00 54.13 C ATOM 1458 CD1 ILE A 98 1.454 6.451 2.968 1.00 25.11 C ATOM 0 H ILE A 98 1.640 6.458 -0.194 1.00 74.41 H new ATOM 0 HA ILE A 98 3.739 5.701 1.489 1.00 65.31 H new ATOM 0 HB ILE A 98 1.443 3.909 0.625 1.00 14.20 H new ATOM 0 HG12 ILE A 98 0.355 5.909 1.238 1.00 64.25 H new ATOM 0 HG13 ILE A 98 0.176 4.803 2.585 1.00 64.25 H new ATOM 0 HG21 ILE A 98 1.649 3.001 2.944 1.00 54.13 H new ATOM 0 HG22 ILE A 98 3.151 2.806 2.010 1.00 54.13 H new ATOM 0 HG23 ILE A 98 3.022 4.097 3.228 1.00 54.13 H new ATOM 0 HD11 ILE A 98 0.639 7.060 3.360 1.00 25.11 H new ATOM 0 HD12 ILE A 98 1.972 5.963 3.794 1.00 25.11 H new ATOM 0 HD13 ILE A 98 2.154 7.087 2.426 1.00 25.11 H new ATOM 1470 N MET A 99 3.223 3.916 -1.256 1.00 64.12 N ATOM 1471 CA MET A 99 3.740 2.949 -2.209 1.00 54.11 C ATOM 1472 C MET A 99 5.014 3.464 -2.876 1.00 15.40 C ATOM 1473 O MET A 99 5.872 2.675 -3.254 1.00 15.15 O ATOM 1474 CB MET A 99 2.707 2.670 -3.303 1.00 25.33 C ATOM 1475 CG MET A 99 1.335 2.234 -2.828 1.00 15.21 C ATOM 1476 SD MET A 99 1.328 0.675 -1.945 1.00 50.11 S ATOM 1477 CE MET A 99 -0.422 0.524 -1.609 1.00 12.23 C ATOM 0 H MET A 99 2.324 4.317 -1.525 1.00 64.12 H new ATOM 0 HA MET A 99 3.959 2.035 -1.657 1.00 54.11 H new ATOM 0 HB2 MET A 99 2.592 3.572 -3.904 1.00 25.33 H new ATOM 0 HB3 MET A 99 3.104 1.897 -3.961 1.00 25.33 H new ATOM 0 HG2 MET A 99 0.924 3.008 -2.180 1.00 15.21 H new ATOM 0 HG3 MET A 99 0.672 2.154 -3.690 1.00 15.21 H new ATOM 0 HE1 MET A 99 -0.583 -0.251 -0.860 1.00 12.23 H new ATOM 0 HE2 MET A 99 -0.804 1.474 -1.236 1.00 12.23 H new ATOM 0 HE3 MET A 99 -0.947 0.256 -2.526 1.00 12.23 H new ATOM 1487 N ARG A 100 5.134 4.796 -2.990 1.00 23.44 N ATOM 1488 CA ARG A 100 6.256 5.437 -3.679 1.00 75.31 C ATOM 1489 C ARG A 100 7.591 4.956 -3.117 1.00 24.24 C ATOM 1490 O ARG A 100 8.330 4.236 -3.788 1.00 0.41 O ATOM 1491 CB ARG A 100 6.139 6.971 -3.582 1.00 45.51 C ATOM 1492 CG ARG A 100 7.244 7.744 -4.281 1.00 41.01 C ATOM 1493 CD ARG A 100 7.062 9.247 -4.121 1.00 64.51 C ATOM 1494 NE ARG A 100 8.152 9.995 -4.760 1.00 71.12 N ATOM 1495 CZ ARG A 100 8.221 11.332 -4.881 1.00 65.35 C ATOM 1496 NH1 ARG A 100 7.270 12.110 -4.376 1.00 44.23 N ATOM 1497 NH2 ARG A 100 9.270 11.886 -5.490 1.00 43.15 N ATOM 0 H ARG A 100 4.456 5.454 -2.607 1.00 23.44 H new ATOM 0 HA ARG A 100 6.218 5.154 -4.731 1.00 75.31 H new ATOM 0 HB2 ARG A 100 5.181 7.275 -4.004 1.00 45.51 H new ATOM 0 HB3 ARG A 100 6.128 7.254 -2.529 1.00 45.51 H new ATOM 0 HG2 ARG A 100 8.210 7.448 -3.873 1.00 41.01 H new ATOM 0 HG3 ARG A 100 7.254 7.489 -5.341 1.00 41.01 H new ATOM 0 HD2 ARG A 100 6.109 9.547 -4.558 1.00 64.51 H new ATOM 0 HD3 ARG A 100 7.020 9.498 -3.061 1.00 64.51 H new ATOM 0 HE ARG A 100 8.925 9.452 -5.146 1.00 71.12 H new ATOM 0 HH11 ARG A 100 6.476 11.694 -3.890 1.00 44.23 H new ATOM 0 HH12 ARG A 100 7.334 13.123 -4.475 1.00 44.23 H new ATOM 0 HH21 ARG A 100 10.015 11.296 -5.861 1.00 43.15 H new ATOM 0 HH22 ARG A 100 9.328 12.900 -5.585 1.00 43.15 H new ATOM 1511 N TRP A 101 7.872 5.309 -1.882 1.00 33.23 N ATOM 1512 CA TRP A 101 9.123 4.915 -1.257 1.00 4.13 C ATOM 1513 C TRP A 101 9.202 3.413 -0.979 1.00 42.40 C ATOM 1514 O TRP A 101 10.275 2.824 -1.060 1.00 75.42 O ATOM 1515 CB TRP A 101 9.467 5.781 -0.025 1.00 53.30 C ATOM 1516 CG TRP A 101 8.340 5.996 0.936 1.00 24.11 C ATOM 1517 CD1 TRP A 101 7.520 7.082 0.990 1.00 2.41 C ATOM 1518 CD2 TRP A 101 7.908 5.117 1.976 1.00 65.12 C ATOM 1519 NE1 TRP A 101 6.611 6.933 1.996 1.00 51.04 N ATOM 1520 CE2 TRP A 101 6.825 5.735 2.615 1.00 73.41 C ATOM 1521 CE3 TRP A 101 8.327 3.868 2.429 1.00 74.43 C ATOM 1522 CZ2 TRP A 101 6.160 5.148 3.676 1.00 74.54 C ATOM 1523 CZ3 TRP A 101 7.664 3.291 3.479 1.00 62.02 C ATOM 1524 CH2 TRP A 101 6.591 3.927 4.094 1.00 13.42 C ATOM 0 H TRP A 101 7.256 5.866 -1.290 1.00 33.23 H new ATOM 0 HA TRP A 101 9.905 5.115 -1.989 1.00 4.13 H new ATOM 0 HB2 TRP A 101 10.294 5.313 0.509 1.00 53.30 H new ATOM 0 HB3 TRP A 101 9.819 6.753 -0.371 1.00 53.30 H new ATOM 0 HD1 TRP A 101 7.581 7.936 0.332 1.00 2.41 H new ATOM 0 HE1 TRP A 101 5.888 7.608 2.246 1.00 51.04 H new ATOM 0 HE3 TRP A 101 9.159 3.364 1.961 1.00 74.43 H new ATOM 0 HZ2 TRP A 101 5.328 5.641 4.156 1.00 74.54 H new ATOM 0 HZ3 TRP A 101 7.981 2.322 3.837 1.00 62.02 H new ATOM 0 HH2 TRP A 101 6.090 3.442 4.919 1.00 13.42 H new ATOM 1535 N LEU A 102 8.059 2.801 -0.694 1.00 21.21 N ATOM 1536 CA LEU A 102 7.990 1.370 -0.403 1.00 41.10 C ATOM 1537 C LEU A 102 8.459 0.497 -1.569 1.00 64.43 C ATOM 1538 O LEU A 102 9.168 -0.502 -1.366 1.00 25.30 O ATOM 1539 CB LEU A 102 6.567 0.968 -0.007 1.00 72.42 C ATOM 1540 CG LEU A 102 6.178 1.073 1.458 1.00 32.33 C ATOM 1541 CD1 LEU A 102 4.719 0.721 1.627 1.00 52.41 C ATOM 1542 CD2 LEU A 102 7.024 0.139 2.299 1.00 20.25 C ATOM 0 H LEU A 102 7.158 3.277 -0.658 1.00 21.21 H new ATOM 0 HA LEU A 102 8.672 1.197 0.429 1.00 41.10 H new ATOM 0 HB2 LEU A 102 5.874 1.583 -0.581 1.00 72.42 H new ATOM 0 HB3 LEU A 102 6.412 -0.064 -0.321 1.00 72.42 H new ATOM 0 HG LEU A 102 6.347 2.098 1.789 1.00 32.33 H new ATOM 0 HD11 LEU A 102 4.446 0.798 2.679 1.00 52.41 H new ATOM 0 HD12 LEU A 102 4.109 1.409 1.042 1.00 52.41 H new ATOM 0 HD13 LEU A 102 4.548 -0.299 1.281 1.00 52.41 H new ATOM 0 HD21 LEU A 102 6.732 0.227 3.346 1.00 20.25 H new ATOM 0 HD22 LEU A 102 6.874 -0.888 1.965 1.00 20.25 H new ATOM 0 HD23 LEU A 102 8.076 0.405 2.192 1.00 20.25 H new ATOM 1554 N PHE A 103 8.088 0.865 -2.772 1.00 10.13 N ATOM 1555 CA PHE A 103 8.433 0.074 -3.936 1.00 65.12 C ATOM 1556 C PHE A 103 9.739 0.503 -4.571 1.00 0.13 C ATOM 1557 O PHE A 103 10.238 -0.164 -5.492 1.00 20.54 O ATOM 1558 CB PHE A 103 7.292 0.041 -4.953 1.00 74.25 C ATOM 1559 CG PHE A 103 6.111 -0.789 -4.509 1.00 1.24 C ATOM 1560 CD1 PHE A 103 5.197 -0.303 -3.589 1.00 4.12 C ATOM 1561 CD2 PHE A 103 5.921 -2.059 -5.017 1.00 64.32 C ATOM 1562 CE1 PHE A 103 4.121 -1.064 -3.190 1.00 42.13 C ATOM 1563 CE2 PHE A 103 4.844 -2.823 -4.621 1.00 3.44 C ATOM 1564 CZ PHE A 103 3.943 -2.324 -3.708 1.00 2.53 C ATOM 0 H PHE A 103 7.547 1.706 -2.974 1.00 10.13 H new ATOM 0 HA PHE A 103 8.587 -0.945 -3.581 1.00 65.12 H new ATOM 0 HB2 PHE A 103 6.958 1.061 -5.145 1.00 74.25 H new ATOM 0 HB3 PHE A 103 7.669 -0.354 -5.897 1.00 74.25 H new ATOM 0 HD1 PHE A 103 5.330 0.687 -3.179 1.00 4.12 H new ATOM 0 HD2 PHE A 103 6.624 -2.458 -5.733 1.00 64.32 H new ATOM 0 HE1 PHE A 103 3.418 -0.671 -2.471 1.00 42.13 H new ATOM 0 HE2 PHE A 103 4.707 -3.814 -5.028 1.00 3.44 H new ATOM 0 HZ PHE A 103 3.098 -2.922 -3.399 1.00 2.53 H new ATOM 1574 N THR A 104 10.310 1.571 -4.068 1.00 5.04 N ATOM 1575 CA THR A 104 11.580 2.049 -4.554 1.00 60.23 C ATOM 1576 C THR A 104 12.701 1.180 -3.961 1.00 50.21 C ATOM 1577 O THR A 104 12.809 1.069 -2.745 1.00 42.41 O ATOM 1578 CB THR A 104 11.809 3.533 -4.147 1.00 0.10 C ATOM 1579 OG1 THR A 104 10.766 4.360 -4.690 1.00 71.33 O ATOM 1580 CG2 THR A 104 13.152 4.048 -4.649 1.00 2.15 C ATOM 0 H THR A 104 9.909 2.130 -3.315 1.00 5.04 H new ATOM 0 HA THR A 104 11.585 1.986 -5.642 1.00 60.23 H new ATOM 0 HB THR A 104 11.799 3.579 -3.058 1.00 0.10 H new ATOM 0 HG1 THR A 104 10.063 4.483 -4.018 1.00 71.33 H new ATOM 0 HG21 THR A 104 13.279 5.088 -4.347 1.00 2.15 H new ATOM 0 HG22 THR A 104 13.955 3.446 -4.223 1.00 2.15 H new ATOM 0 HG23 THR A 104 13.185 3.980 -5.736 1.00 2.15 H new ATOM 1588 N PRO A 105 13.506 0.502 -4.801 1.00 25.02 N ATOM 1589 CA PRO A 105 14.631 -0.279 -4.313 1.00 54.32 C ATOM 1590 C PRO A 105 15.681 0.657 -3.725 1.00 32.02 C ATOM 1591 O PRO A 105 16.069 1.652 -4.362 1.00 74.40 O ATOM 1592 CB PRO A 105 15.163 -0.983 -5.567 1.00 33.15 C ATOM 1593 CG PRO A 105 14.093 -0.832 -6.592 1.00 13.32 C ATOM 1594 CD PRO A 105 13.394 0.446 -6.263 1.00 50.21 C ATOM 0 HA PRO A 105 14.363 -0.986 -3.528 1.00 54.32 H new ATOM 0 HB2 PRO A 105 16.096 -0.532 -5.904 1.00 33.15 H new ATOM 0 HB3 PRO A 105 15.371 -2.034 -5.368 1.00 33.15 H new ATOM 0 HG2 PRO A 105 14.515 -0.800 -7.596 1.00 13.32 H new ATOM 0 HG3 PRO A 105 13.402 -1.675 -6.563 1.00 13.32 H new ATOM 0 HD2 PRO A 105 13.870 1.303 -6.740 1.00 50.21 H new ATOM 0 HD3 PRO A 105 12.354 0.436 -6.590 1.00 50.21 H new ATOM 1602 N ASP A 106 16.112 0.366 -2.537 1.00 74.15 N ATOM 1603 CA ASP A 106 17.025 1.220 -1.818 1.00 31.31 C ATOM 1604 C ASP A 106 18.415 0.636 -1.805 1.00 62.24 C ATOM 1605 O ASP A 106 18.625 -0.439 -1.248 1.00 51.23 O ATOM 1606 CB ASP A 106 16.546 1.383 -0.392 1.00 0.13 C ATOM 1607 CG ASP A 106 17.447 2.265 0.436 1.00 72.33 C ATOM 1608 OD1 ASP A 106 17.636 3.452 0.098 1.00 13.15 O ATOM 1609 OD2 ASP A 106 17.960 1.812 1.448 1.00 10.05 O ATOM 0 H ASP A 106 15.842 -0.476 -2.029 1.00 74.15 H new ATOM 0 HA ASP A 106 17.056 2.187 -2.320 1.00 31.31 H new ATOM 0 HB2 ASP A 106 15.541 1.804 -0.398 1.00 0.13 H new ATOM 0 HB3 ASP A 106 16.477 0.401 0.077 1.00 0.13 H new ATOM 1614 N PRO A 107 19.396 1.325 -2.418 1.00 1.53 N ATOM 1615 CA PRO A 107 20.785 0.858 -2.461 1.00 70.21 C ATOM 1616 C PRO A 107 21.389 0.725 -1.066 1.00 62.54 C ATOM 1617 O PRO A 107 22.285 -0.076 -0.843 1.00 21.44 O ATOM 1618 CB PRO A 107 21.521 1.933 -3.273 1.00 21.51 C ATOM 1619 CG PRO A 107 20.648 3.134 -3.206 1.00 45.52 C ATOM 1620 CD PRO A 107 19.239 2.626 -3.101 1.00 53.01 C ATOM 0 HA PRO A 107 20.862 -0.135 -2.903 1.00 70.21 H new ATOM 0 HB2 PRO A 107 22.506 2.138 -2.854 1.00 21.51 H new ATOM 0 HB3 PRO A 107 21.673 1.613 -4.304 1.00 21.51 H new ATOM 0 HG2 PRO A 107 20.903 3.753 -2.346 1.00 45.52 H new ATOM 0 HG3 PRO A 107 20.772 3.755 -4.093 1.00 45.52 H new ATOM 0 HD2 PRO A 107 18.608 3.307 -2.530 1.00 53.01 H new ATOM 0 HD3 PRO A 107 18.778 2.512 -4.082 1.00 53.01 H new ATOM 1628 N SER A 108 20.854 1.484 -0.132 1.00 61.52 N ATOM 1629 CA SER A 108 21.343 1.521 1.224 1.00 14.22 C ATOM 1630 C SER A 108 20.900 0.264 1.991 1.00 2.34 C ATOM 1631 O SER A 108 21.487 -0.093 3.012 1.00 21.22 O ATOM 1632 CB SER A 108 20.763 2.753 1.908 1.00 51.22 C ATOM 1633 OG SER A 108 20.383 3.736 0.936 1.00 62.42 O ATOM 0 H SER A 108 20.058 2.099 -0.299 1.00 61.52 H new ATOM 0 HA SER A 108 22.432 1.558 1.216 1.00 14.22 H new ATOM 0 HB2 SER A 108 19.896 2.470 2.505 1.00 51.22 H new ATOM 0 HB3 SER A 108 21.498 3.176 2.593 1.00 51.22 H new ATOM 0 HG SER A 108 19.413 3.703 0.800 1.00 62.42 H new ATOM 1639 N LEU A 109 19.904 -0.422 1.470 1.00 65.30 N ATOM 1640 CA LEU A 109 19.328 -1.550 2.139 1.00 41.32 C ATOM 1641 C LEU A 109 19.830 -2.848 1.537 1.00 24.44 C ATOM 1642 O LEU A 109 19.759 -3.073 0.323 1.00 40.33 O ATOM 1643 CB LEU A 109 17.803 -1.498 2.046 1.00 5.34 C ATOM 1644 CG LEU A 109 17.042 -2.594 2.795 1.00 54.54 C ATOM 1645 CD1 LEU A 109 17.230 -2.459 4.299 1.00 22.13 C ATOM 1646 CD2 LEU A 109 15.577 -2.561 2.433 1.00 42.33 C ATOM 0 H LEU A 109 19.477 -0.206 0.569 1.00 65.30 H new ATOM 0 HA LEU A 109 19.627 -1.511 3.186 1.00 41.32 H new ATOM 0 HB2 LEU A 109 17.470 -0.531 2.423 1.00 5.34 H new ATOM 0 HB3 LEU A 109 17.522 -1.544 0.994 1.00 5.34 H new ATOM 0 HG LEU A 109 17.450 -3.559 2.493 1.00 54.54 H new ATOM 0 HD11 LEU A 109 16.679 -3.250 4.807 1.00 22.13 H new ATOM 0 HD12 LEU A 109 18.289 -2.541 4.542 1.00 22.13 H new ATOM 0 HD13 LEU A 109 16.857 -1.489 4.627 1.00 22.13 H new ATOM 0 HD21 LEU A 109 15.051 -3.347 2.975 1.00 42.33 H new ATOM 0 HD22 LEU A 109 15.158 -1.592 2.702 1.00 42.33 H new ATOM 0 HD23 LEU A 109 15.463 -2.721 1.361 1.00 42.33 H new ATOM 1658 N THR A 110 20.357 -3.673 2.381 1.00 11.33 N ATOM 1659 CA THR A 110 20.852 -4.972 2.020 1.00 64.21 C ATOM 1660 C THR A 110 20.275 -5.968 3.010 1.00 34.42 C ATOM 1661 O THR A 110 20.611 -5.938 4.191 1.00 32.24 O ATOM 1662 CB THR A 110 22.385 -4.978 2.094 1.00 1.40 C ATOM 1663 OG1 THR A 110 22.874 -3.854 1.341 1.00 33.10 O ATOM 1664 CG2 THR A 110 22.965 -6.268 1.518 1.00 14.40 C ATOM 0 H THR A 110 20.461 -3.460 3.373 1.00 11.33 H new ATOM 0 HA THR A 110 20.559 -5.233 1.003 1.00 64.21 H new ATOM 0 HB THR A 110 22.692 -4.913 3.138 1.00 1.40 H new ATOM 0 HG1 THR A 110 23.853 -3.838 1.376 1.00 33.10 H new ATOM 0 HG21 THR A 110 24.053 -6.240 1.586 1.00 14.40 H new ATOM 0 HG22 THR A 110 22.588 -7.120 2.083 1.00 14.40 H new ATOM 0 HG23 THR A 110 22.669 -6.366 0.474 1.00 14.40 H new ATOM 1672 N ILE A 111 19.390 -6.810 2.552 1.00 0.32 N ATOM 1673 CA ILE A 111 18.690 -7.720 3.442 1.00 53.02 C ATOM 1674 C ILE A 111 18.590 -9.088 2.896 1.00 64.12 C ATOM 1675 O ILE A 111 18.769 -9.310 1.720 1.00 55.44 O ATOM 1676 CB ILE A 111 17.274 -7.246 3.789 1.00 33.04 C ATOM 1677 CG1 ILE A 111 16.503 -6.828 2.521 1.00 54.00 C ATOM 1678 CG2 ILE A 111 17.340 -6.158 4.816 1.00 24.41 C ATOM 1679 CD1 ILE A 111 15.056 -6.471 2.759 1.00 62.31 C ATOM 0 H ILE A 111 19.130 -6.892 1.569 1.00 0.32 H new ATOM 0 HA ILE A 111 19.299 -7.731 4.346 1.00 53.02 H new ATOM 0 HB ILE A 111 16.713 -8.072 4.225 1.00 33.04 H new ATOM 0 HG12 ILE A 111 17.006 -5.972 2.070 1.00 54.00 H new ATOM 0 HG13 ILE A 111 16.549 -7.642 1.798 1.00 54.00 H new ATOM 0 HG21 ILE A 111 16.331 -5.825 5.059 1.00 24.41 H new ATOM 0 HG22 ILE A 111 17.824 -6.537 5.717 1.00 24.41 H new ATOM 0 HG23 ILE A 111 17.914 -5.319 4.421 1.00 24.41 H new ATOM 0 HD11 ILE A 111 14.591 -6.189 1.814 1.00 62.31 H new ATOM 0 HD12 ILE A 111 14.534 -7.331 3.179 1.00 62.31 H new ATOM 0 HD13 ILE A 111 14.997 -5.635 3.456 1.00 62.31 H new ATOM 1691 N THR A 112 18.293 -9.989 3.755 1.00 13.34 N ATOM 1692 CA THR A 112 18.112 -11.340 3.408 1.00 70.24 C ATOM 1693 C THR A 112 16.638 -11.550 3.074 1.00 43.40 C ATOM 1694 O THR A 112 15.752 -11.158 3.846 1.00 13.20 O ATOM 1695 CB THR A 112 18.606 -12.214 4.575 1.00 61.20 C ATOM 1696 OG1 THR A 112 17.908 -11.850 5.786 1.00 61.54 O ATOM 1697 CG2 THR A 112 20.079 -11.927 4.791 1.00 31.01 C ATOM 0 H THR A 112 18.166 -9.797 4.749 1.00 13.34 H new ATOM 0 HA THR A 112 18.690 -11.625 2.529 1.00 70.24 H new ATOM 0 HB THR A 112 18.432 -13.265 4.343 1.00 61.20 H new ATOM 0 HG1 THR A 112 17.046 -11.443 5.557 1.00 61.54 H new ATOM 0 HG21 THR A 112 20.451 -12.536 5.615 1.00 31.01 H new ATOM 0 HG22 THR A 112 20.633 -12.166 3.883 1.00 31.01 H new ATOM 0 HG23 THR A 112 20.213 -10.872 5.030 1.00 31.01 H new ATOM 1705 N ARG A 113 16.376 -12.115 1.922 1.00 2.22 N ATOM 1706 CA ARG A 113 15.016 -12.211 1.439 1.00 22.43 C ATOM 1707 C ARG A 113 14.295 -13.388 2.100 1.00 61.01 C ATOM 1708 O ARG A 113 14.824 -14.492 2.149 1.00 32.12 O ATOM 1709 CB ARG A 113 15.009 -12.345 -0.103 1.00 30.35 C ATOM 1710 CG ARG A 113 13.813 -11.682 -0.794 1.00 24.10 C ATOM 1711 CD ARG A 113 12.482 -12.313 -0.431 1.00 73.52 C ATOM 1712 NE ARG A 113 11.362 -11.445 -0.775 1.00 3.14 N ATOM 1713 CZ ARG A 113 10.077 -11.765 -0.687 1.00 72.42 C ATOM 1714 NH1 ARG A 113 9.700 -12.968 -0.233 1.00 64.12 N ATOM 1715 NH2 ARG A 113 9.163 -10.855 -1.002 1.00 70.44 N ATOM 0 H ARG A 113 17.081 -12.514 1.302 1.00 2.22 H new ATOM 0 HA ARG A 113 14.480 -11.300 1.705 1.00 22.43 H new ATOM 0 HB2 ARG A 113 15.927 -11.909 -0.497 1.00 30.35 H new ATOM 0 HB3 ARG A 113 15.021 -13.403 -0.363 1.00 30.35 H new ATOM 0 HG2 ARG A 113 13.790 -10.625 -0.529 1.00 24.10 H new ATOM 0 HG3 ARG A 113 13.950 -11.737 -1.874 1.00 24.10 H new ATOM 0 HD2 ARG A 113 12.377 -13.266 -0.950 1.00 73.52 H new ATOM 0 HD3 ARG A 113 12.461 -12.528 0.637 1.00 73.52 H new ATOM 0 HE ARG A 113 11.586 -10.509 -1.113 1.00 3.14 H new ATOM 0 HH11 ARG A 113 10.404 -13.650 0.050 1.00 64.12 H new ATOM 0 HH12 ARG A 113 8.709 -13.202 -0.170 1.00 64.12 H new ATOM 0 HH21 ARG A 113 9.453 -9.926 -1.306 1.00 70.44 H new ATOM 0 HH22 ARG A 113 8.171 -11.085 -0.940 1.00 70.44 H new ATOM 1729 N ASP A 114 13.107 -13.124 2.619 1.00 11.42 N ATOM 1730 CA ASP A 114 12.252 -14.134 3.241 1.00 41.12 C ATOM 1731 C ASP A 114 11.932 -15.249 2.268 1.00 40.14 C ATOM 1732 O ASP A 114 11.363 -15.016 1.184 1.00 22.54 O ATOM 1733 CB ASP A 114 10.956 -13.511 3.761 1.00 71.53 C ATOM 1734 CG ASP A 114 9.967 -14.540 4.291 1.00 51.23 C ATOM 1735 OD1 ASP A 114 10.298 -15.281 5.238 1.00 32.41 O ATOM 1736 OD2 ASP A 114 8.820 -14.601 3.790 1.00 42.03 O ATOM 0 H ASP A 114 12.699 -12.189 2.622 1.00 11.42 H new ATOM 0 HA ASP A 114 12.801 -14.553 4.084 1.00 41.12 H new ATOM 0 HB2 ASP A 114 11.194 -12.803 4.555 1.00 71.53 H new ATOM 0 HB3 ASP A 114 10.485 -12.944 2.958 1.00 71.53 H new ATOM 1741 N GLY A 115 12.330 -16.440 2.641 1.00 14.11 N ATOM 1742 CA GLY A 115 12.143 -17.599 1.818 1.00 60.32 C ATOM 1743 C GLY A 115 13.448 -18.018 1.192 1.00 70.35 C ATOM 1744 O GLY A 115 13.579 -19.106 0.644 1.00 61.43 O ATOM 0 H GLY A 115 12.795 -16.629 3.529 1.00 14.11 H new ATOM 0 HA2 GLY A 115 11.741 -18.416 2.417 1.00 60.32 H new ATOM 0 HA3 GLY A 115 11.411 -17.385 1.039 1.00 60.32 H new ATOM 1748 N SER A 116 14.419 -17.151 1.283 1.00 45.53 N ATOM 1749 CA SER A 116 15.693 -17.368 0.719 1.00 0.33 C ATOM 1750 C SER A 116 16.753 -17.207 1.797 1.00 73.24 C ATOM 1751 O SER A 116 16.496 -16.650 2.864 1.00 5.22 O ATOM 1752 CB SER A 116 15.903 -16.358 -0.404 1.00 32.51 C ATOM 1753 OG SER A 116 14.848 -16.458 -1.358 1.00 65.32 O ATOM 0 H SER A 116 14.329 -16.257 1.766 1.00 45.53 H new ATOM 0 HA SER A 116 15.768 -18.376 0.312 1.00 0.33 H new ATOM 0 HB2 SER A 116 15.938 -15.349 0.006 1.00 32.51 H new ATOM 0 HB3 SER A 116 16.862 -16.538 -0.891 1.00 32.51 H new ATOM 0 HG SER A 116 14.991 -15.804 -2.074 1.00 65.32 H new ATOM 1759 N ARG A 117 17.898 -17.725 1.542 1.00 72.13 N ATOM 1760 CA ARG A 117 19.011 -17.606 2.460 1.00 34.31 C ATOM 1761 C ARG A 117 19.898 -16.441 2.024 1.00 12.13 C ATOM 1762 O ARG A 117 20.644 -15.862 2.823 1.00 73.11 O ATOM 1763 CB ARG A 117 19.803 -18.916 2.470 1.00 30.14 C ATOM 1764 CG ARG A 117 20.571 -19.207 1.189 1.00 13.02 C ATOM 1765 CD ARG A 117 21.071 -20.624 1.170 1.00 41.22 C ATOM 1766 NE ARG A 117 19.971 -21.592 0.978 1.00 71.33 N ATOM 1767 CZ ARG A 117 19.869 -22.792 1.574 1.00 52.11 C ATOM 1768 NH1 ARG A 117 20.733 -23.155 2.510 1.00 10.21 N ATOM 1769 NH2 ARG A 117 18.879 -23.615 1.245 1.00 74.44 N ATOM 0 H ARG A 117 18.108 -18.249 0.692 1.00 72.13 H new ATOM 0 HA ARG A 117 18.647 -17.412 3.469 1.00 34.31 H new ATOM 0 HB2 ARG A 117 20.507 -18.892 3.302 1.00 30.14 H new ATOM 0 HB3 ARG A 117 19.114 -19.739 2.659 1.00 30.14 H new ATOM 0 HG2 ARG A 117 19.927 -19.034 0.327 1.00 13.02 H new ATOM 0 HG3 ARG A 117 21.412 -18.520 1.101 1.00 13.02 H new ATOM 0 HD2 ARG A 117 21.802 -20.741 0.370 1.00 41.22 H new ATOM 0 HD3 ARG A 117 21.586 -20.840 2.106 1.00 41.22 H new ATOM 0 HE ARG A 117 19.224 -21.326 0.337 1.00 71.33 H new ATOM 0 HH11 ARG A 117 21.484 -22.522 2.784 1.00 10.21 H new ATOM 0 HH12 ARG A 117 20.647 -24.068 2.957 1.00 10.21 H new ATOM 0 HH21 ARG A 117 18.197 -23.336 0.540 1.00 74.44 H new ATOM 0 HH22 ARG A 117 18.801 -24.526 1.697 1.00 74.44 H new ATOM 1783 N ASP A 118 19.773 -16.111 0.750 1.00 0.23 N ATOM 1784 CA ASP A 118 20.571 -15.091 0.071 1.00 64.14 C ATOM 1785 C ASP A 118 20.308 -13.692 0.576 1.00 31.20 C ATOM 1786 O ASP A 118 19.196 -13.362 1.036 1.00 62.14 O ATOM 1787 CB ASP A 118 20.299 -15.113 -1.435 1.00 42.11 C ATOM 1788 CG ASP A 118 20.709 -16.393 -2.103 1.00 0.31 C ATOM 1789 OD1 ASP A 118 19.891 -17.338 -2.147 1.00 72.42 O ATOM 1790 OD2 ASP A 118 21.836 -16.479 -2.603 1.00 35.21 O ATOM 0 H ASP A 118 19.092 -16.557 0.135 1.00 0.23 H new ATOM 0 HA ASP A 118 21.610 -15.339 0.286 1.00 64.14 H new ATOM 0 HB2 ASP A 118 19.235 -14.949 -1.606 1.00 42.11 H new ATOM 0 HB3 ASP A 118 20.829 -14.283 -1.903 1.00 42.11 H new ATOM 1795 N ALA A 119 21.328 -12.871 0.469 1.00 10.22 N ATOM 1796 CA ALA A 119 21.251 -11.482 0.817 1.00 61.13 C ATOM 1797 C ALA A 119 21.080 -10.682 -0.458 1.00 4.22 C ATOM 1798 O ALA A 119 21.795 -10.905 -1.441 1.00 25.43 O ATOM 1799 CB ALA A 119 22.505 -11.042 1.563 1.00 45.33 C ATOM 0 H ALA A 119 22.246 -13.160 0.132 1.00 10.22 H new ATOM 0 HA ALA A 119 20.401 -11.313 1.479 1.00 61.13 H new ATOM 0 HB1 ALA A 119 22.425 -9.985 1.817 1.00 45.33 H new ATOM 0 HB2 ALA A 119 22.610 -11.628 2.476 1.00 45.33 H new ATOM 0 HB3 ALA A 119 23.379 -11.198 0.930 1.00 45.33 H new ATOM 1805 N VAL A 120 20.133 -9.801 -0.462 1.00 63.33 N ATOM 1806 CA VAL A 120 19.827 -8.985 -1.605 1.00 40.44 C ATOM 1807 C VAL A 120 20.234 -7.551 -1.315 1.00 2.24 C ATOM 1808 O VAL A 120 19.791 -6.950 -0.324 1.00 72.24 O ATOM 1809 CB VAL A 120 18.304 -9.025 -1.947 1.00 33.41 C ATOM 1810 CG1 VAL A 120 17.998 -8.210 -3.200 1.00 60.13 C ATOM 1811 CG2 VAL A 120 17.818 -10.459 -2.112 1.00 1.43 C ATOM 0 H VAL A 120 19.534 -9.620 0.344 1.00 63.33 H new ATOM 0 HA VAL A 120 20.378 -9.376 -2.460 1.00 40.44 H new ATOM 0 HB VAL A 120 17.768 -8.576 -1.111 1.00 33.41 H new ATOM 0 HG11 VAL A 120 16.930 -8.257 -3.413 1.00 60.13 H new ATOM 0 HG12 VAL A 120 18.291 -7.172 -3.040 1.00 60.13 H new ATOM 0 HG13 VAL A 120 18.554 -8.618 -4.044 1.00 60.13 H new ATOM 0 HG21 VAL A 120 16.754 -10.458 -2.350 1.00 1.43 H new ATOM 0 HG22 VAL A 120 18.370 -10.939 -2.920 1.00 1.43 H new ATOM 0 HG23 VAL A 120 17.982 -11.008 -1.185 1.00 1.43 H new ATOM 1821 N SER A 121 21.091 -7.036 -2.131 1.00 64.30 N ATOM 1822 CA SER A 121 21.530 -5.679 -2.030 1.00 73.44 C ATOM 1823 C SER A 121 20.594 -4.824 -2.872 1.00 15.31 C ATOM 1824 O SER A 121 20.168 -5.274 -3.942 1.00 12.30 O ATOM 1825 CB SER A 121 22.953 -5.593 -2.578 1.00 43.44 C ATOM 1826 OG SER A 121 23.794 -6.574 -1.968 1.00 23.23 O ATOM 0 H SER A 121 21.515 -7.553 -2.901 1.00 64.30 H new ATOM 0 HA SER A 121 21.520 -5.331 -0.997 1.00 73.44 H new ATOM 0 HB2 SER A 121 22.941 -5.740 -3.658 1.00 43.44 H new ATOM 0 HB3 SER A 121 23.358 -4.597 -2.396 1.00 43.44 H new ATOM 0 HG SER A 121 24.700 -6.502 -2.335 1.00 23.23 H new ATOM 1832 N ASN A 122 20.217 -3.647 -2.360 1.00 42.32 N ATOM 1833 CA ASN A 122 19.383 -2.695 -3.083 1.00 53.12 C ATOM 1834 C ASN A 122 17.968 -3.265 -3.213 1.00 11.54 C ATOM 1835 O ASN A 122 17.456 -3.531 -4.316 1.00 70.51 O ATOM 1836 CB ASN A 122 20.013 -2.329 -4.459 1.00 51.33 C ATOM 1837 CG ASN A 122 19.400 -1.117 -5.143 1.00 31.14 C ATOM 1838 OD1 ASN A 122 18.236 -0.789 -4.976 1.00 62.51 O ATOM 1839 ND2 ASN A 122 20.185 -0.451 -5.942 1.00 43.42 N ATOM 0 H ASN A 122 20.486 -3.332 -1.428 1.00 42.32 H new ATOM 0 HA ASN A 122 19.321 -1.761 -2.524 1.00 53.12 H new ATOM 0 HB2 ASN A 122 21.078 -2.148 -4.317 1.00 51.33 H new ATOM 0 HB3 ASN A 122 19.921 -3.188 -5.124 1.00 51.33 H new ATOM 0 HD21 ASN A 122 19.830 0.363 -6.444 1.00 43.42 H new ATOM 0 HD22 ASN A 122 21.154 -0.744 -6.066 1.00 43.42 H new ATOM 1846 N ALA A 123 17.375 -3.525 -2.072 1.00 43.32 N ATOM 1847 CA ALA A 123 16.043 -4.082 -2.003 1.00 13.04 C ATOM 1848 C ALA A 123 15.045 -2.993 -1.652 1.00 70.44 C ATOM 1849 O ALA A 123 15.432 -1.921 -1.207 1.00 74.22 O ATOM 1850 CB ALA A 123 15.997 -5.204 -0.974 1.00 10.22 C ATOM 0 H ALA A 123 17.803 -3.356 -1.162 1.00 43.32 H new ATOM 0 HA ALA A 123 15.778 -4.496 -2.976 1.00 13.04 H new ATOM 0 HB1 ALA A 123 14.989 -5.616 -0.930 1.00 10.22 H new ATOM 0 HB2 ALA A 123 16.698 -5.988 -1.259 1.00 10.22 H new ATOM 0 HB3 ALA A 123 16.271 -4.811 0.005 1.00 10.22 H new ATOM 1856 N ARG A 124 13.780 -3.255 -1.862 1.00 31.44 N ATOM 1857 CA ARG A 124 12.750 -2.284 -1.547 1.00 25.23 C ATOM 1858 C ARG A 124 12.323 -2.449 -0.086 1.00 33.31 C ATOM 1859 O ARG A 124 12.317 -3.573 0.426 1.00 64.44 O ATOM 1860 CB ARG A 124 11.532 -2.440 -2.479 1.00 24.31 C ATOM 1861 CG ARG A 124 10.913 -3.830 -2.469 1.00 3.14 C ATOM 1862 CD ARG A 124 9.559 -3.865 -3.157 1.00 21.13 C ATOM 1863 NE ARG A 124 9.587 -3.420 -4.562 1.00 54.32 N ATOM 1864 CZ ARG A 124 9.032 -4.113 -5.572 1.00 30.31 C ATOM 1865 NH1 ARG A 124 8.782 -5.413 -5.429 1.00 70.11 N ATOM 1866 NH2 ARG A 124 8.816 -3.536 -6.754 1.00 61.22 N ATOM 0 H ARG A 124 13.433 -4.132 -2.250 1.00 31.44 H new ATOM 0 HA ARG A 124 13.158 -1.285 -1.698 1.00 25.23 H new ATOM 0 HB2 ARG A 124 10.772 -1.714 -2.190 1.00 24.31 H new ATOM 0 HB3 ARG A 124 11.834 -2.196 -3.497 1.00 24.31 H new ATOM 0 HG2 ARG A 124 11.587 -4.529 -2.964 1.00 3.14 H new ATOM 0 HG3 ARG A 124 10.803 -4.169 -1.439 1.00 3.14 H new ATOM 0 HD2 ARG A 124 9.169 -4.882 -3.117 1.00 21.13 H new ATOM 0 HD3 ARG A 124 8.864 -3.235 -2.601 1.00 21.13 H new ATOM 0 HE ARG A 124 10.052 -2.539 -4.780 1.00 54.32 H new ATOM 0 HH11 ARG A 124 9.011 -5.883 -4.553 1.00 70.11 H new ATOM 0 HH12 ARG A 124 8.361 -5.939 -6.195 1.00 70.11 H new ATOM 0 HH21 ARG A 124 9.072 -2.559 -6.899 1.00 61.22 H new ATOM 0 HH22 ARG A 124 8.394 -4.071 -7.513 1.00 61.22 H new ATOM 1880 N PRO A 125 11.968 -1.343 0.609 1.00 3.14 N ATOM 1881 CA PRO A 125 11.518 -1.376 2.018 1.00 24.20 C ATOM 1882 C PRO A 125 10.368 -2.368 2.278 1.00 75.33 C ATOM 1883 O PRO A 125 10.261 -2.909 3.366 1.00 42.33 O ATOM 1884 CB PRO A 125 11.057 0.057 2.278 1.00 0.15 C ATOM 1885 CG PRO A 125 11.873 0.880 1.352 1.00 44.52 C ATOM 1886 CD PRO A 125 12.037 0.050 0.108 1.00 33.33 C ATOM 0 HA PRO A 125 12.317 -1.716 2.677 1.00 24.20 H new ATOM 0 HB2 PRO A 125 9.992 0.174 2.080 1.00 0.15 H new ATOM 0 HB3 PRO A 125 11.222 0.345 3.316 1.00 0.15 H new ATOM 0 HG2 PRO A 125 11.379 1.826 1.130 1.00 44.52 H new ATOM 0 HG3 PRO A 125 12.841 1.122 1.792 1.00 44.52 H new ATOM 0 HD2 PRO A 125 11.250 0.255 -0.618 1.00 33.33 H new ATOM 0 HD3 PRO A 125 12.987 0.252 -0.387 1.00 33.33 H new ATOM 1894 N VAL A 126 9.531 -2.620 1.262 1.00 62.13 N ATOM 1895 CA VAL A 126 8.428 -3.595 1.395 1.00 65.13 C ATOM 1896 C VAL A 126 8.984 -4.975 1.714 1.00 73.31 C ATOM 1897 O VAL A 126 8.501 -5.662 2.595 1.00 63.12 O ATOM 1898 CB VAL A 126 7.593 -3.735 0.085 1.00 5.15 C ATOM 1899 CG1 VAL A 126 6.539 -4.810 0.231 1.00 12.22 C ATOM 1900 CG2 VAL A 126 6.926 -2.449 -0.292 1.00 12.51 C ATOM 0 H VAL A 126 9.591 -2.171 0.348 1.00 62.13 H new ATOM 0 HA VAL A 126 7.788 -3.221 2.194 1.00 65.13 H new ATOM 0 HB VAL A 126 8.293 -4.010 -0.704 1.00 5.15 H new ATOM 0 HG11 VAL A 126 5.969 -4.889 -0.695 1.00 12.22 H new ATOM 0 HG12 VAL A 126 7.020 -5.765 0.444 1.00 12.22 H new ATOM 0 HG13 VAL A 126 5.867 -4.552 1.049 1.00 12.22 H new ATOM 0 HG21 VAL A 126 6.355 -2.591 -1.210 1.00 12.51 H new ATOM 0 HG22 VAL A 126 6.255 -2.139 0.509 1.00 12.51 H new ATOM 0 HG23 VAL A 126 7.682 -1.680 -0.450 1.00 12.51 H new ATOM 1910 N ASP A 127 10.051 -5.323 1.046 1.00 43.03 N ATOM 1911 CA ASP A 127 10.609 -6.661 1.129 1.00 60.24 C ATOM 1912 C ASP A 127 11.118 -6.924 2.551 1.00 3.14 C ATOM 1913 O ASP A 127 11.043 -8.039 3.067 1.00 31.21 O ATOM 1914 CB ASP A 127 11.716 -6.822 0.087 1.00 45.40 C ATOM 1915 CG ASP A 127 11.934 -8.257 -0.312 1.00 72.53 C ATOM 1916 OD1 ASP A 127 11.234 -8.736 -1.255 1.00 44.31 O ATOM 1917 OD2 ASP A 127 12.776 -8.927 0.281 1.00 52.02 O ATOM 0 H ASP A 127 10.563 -4.694 0.428 1.00 43.03 H new ATOM 0 HA ASP A 127 9.838 -7.401 0.912 1.00 60.24 H new ATOM 0 HB2 ASP A 127 11.464 -6.237 -0.798 1.00 45.40 H new ATOM 0 HB3 ASP A 127 12.646 -6.414 0.484 1.00 45.40 H new ATOM 1922 N ALA A 128 11.545 -5.852 3.206 1.00 51.02 N ATOM 1923 CA ALA A 128 12.036 -5.891 4.574 1.00 52.11 C ATOM 1924 C ALA A 128 10.973 -6.396 5.561 1.00 42.40 C ATOM 1925 O ALA A 128 11.303 -7.084 6.528 1.00 63.15 O ATOM 1926 CB ALA A 128 12.555 -4.524 5.000 1.00 52.22 C ATOM 0 H ALA A 128 11.559 -4.919 2.795 1.00 51.02 H new ATOM 0 HA ALA A 128 12.860 -6.604 4.596 1.00 52.11 H new ATOM 0 HB1 ALA A 128 12.917 -4.576 6.027 1.00 52.22 H new ATOM 0 HB2 ALA A 128 13.370 -4.223 4.342 1.00 52.22 H new ATOM 0 HB3 ALA A 128 11.749 -3.793 4.936 1.00 52.22 H new ATOM 1932 N LEU A 129 9.696 -6.073 5.321 1.00 22.44 N ATOM 1933 CA LEU A 129 8.637 -6.494 6.243 1.00 3.13 C ATOM 1934 C LEU A 129 8.463 -8.006 6.194 1.00 64.24 C ATOM 1935 O LEU A 129 8.204 -8.644 7.222 1.00 54.22 O ATOM 1936 CB LEU A 129 7.304 -5.733 5.998 1.00 55.14 C ATOM 1937 CG LEU A 129 6.531 -6.033 4.707 1.00 71.25 C ATOM 1938 CD1 LEU A 129 5.659 -7.271 4.847 1.00 23.41 C ATOM 1939 CD2 LEU A 129 5.724 -4.827 4.252 1.00 33.05 C ATOM 0 H LEU A 129 9.377 -5.534 4.516 1.00 22.44 H new ATOM 0 HA LEU A 129 8.945 -6.227 7.254 1.00 3.13 H new ATOM 0 HB2 LEU A 129 6.642 -5.939 6.839 1.00 55.14 H new ATOM 0 HB3 LEU A 129 7.521 -4.665 6.017 1.00 55.14 H new ATOM 0 HG LEU A 129 7.266 -6.247 3.931 1.00 71.25 H new ATOM 0 HD11 LEU A 129 5.128 -7.450 3.912 1.00 23.41 H new ATOM 0 HD12 LEU A 129 6.285 -8.133 5.079 1.00 23.41 H new ATOM 0 HD13 LEU A 129 4.938 -7.119 5.650 1.00 23.41 H new ATOM 0 HD21 LEU A 129 5.188 -5.073 3.335 1.00 33.05 H new ATOM 0 HD22 LEU A 129 5.009 -4.554 5.028 1.00 33.05 H new ATOM 0 HD23 LEU A 129 6.396 -3.989 4.066 1.00 33.05 H new ATOM 1951 N HIS A 130 8.662 -8.579 5.001 1.00 73.23 N ATOM 1952 CA HIS A 130 8.591 -10.025 4.808 1.00 44.14 C ATOM 1953 C HIS A 130 9.715 -10.673 5.581 1.00 13.32 C ATOM 1954 O HIS A 130 9.573 -11.749 6.144 1.00 33.44 O ATOM 1955 CB HIS A 130 8.733 -10.408 3.317 1.00 50.15 C ATOM 1956 CG HIS A 130 7.608 -9.994 2.415 1.00 62.03 C ATOM 1957 ND1 HIS A 130 6.690 -10.876 1.877 1.00 54.32 N ATOM 1958 CD2 HIS A 130 7.289 -8.778 1.912 1.00 65.21 C ATOM 1959 CE1 HIS A 130 5.866 -10.182 1.089 1.00 60.23 C ATOM 1960 NE2 HIS A 130 6.187 -8.905 1.074 1.00 62.11 N ATOM 0 H HIS A 130 8.875 -8.056 4.152 1.00 73.23 H new ATOM 0 HA HIS A 130 7.619 -10.369 5.160 1.00 44.14 H new ATOM 0 HB2 HIS A 130 9.656 -9.969 2.937 1.00 50.15 H new ATOM 0 HB3 HIS A 130 8.844 -11.490 3.251 1.00 50.15 H new ATOM 0 HD1 HIS A 130 6.649 -11.880 2.051 1.00 54.32 H new ATOM 0 HD2 HIS A 130 7.808 -7.856 2.128 1.00 65.21 H new ATOM 0 HE1 HIS A 130 5.044 -10.612 0.536 1.00 60.23 H new ATOM 1968 N ALA A 131 10.802 -9.952 5.676 1.00 42.04 N ATOM 1969 CA ALA A 131 12.010 -10.437 6.338 1.00 43.41 C ATOM 1970 C ALA A 131 11.975 -10.186 7.853 1.00 64.42 C ATOM 1971 O ALA A 131 12.982 -10.385 8.540 1.00 72.30 O ATOM 1972 CB ALA A 131 13.235 -9.775 5.723 1.00 72.42 C ATOM 0 H ALA A 131 10.886 -9.008 5.299 1.00 42.04 H new ATOM 0 HA ALA A 131 12.062 -11.515 6.189 1.00 43.41 H new ATOM 0 HB1 ALA A 131 14.134 -10.140 6.220 1.00 72.42 H new ATOM 0 HB2 ALA A 131 13.284 -10.016 4.661 1.00 72.42 H new ATOM 0 HB3 ALA A 131 13.165 -8.694 5.847 1.00 72.42 H new ATOM 1978 N HIS A 132 10.811 -9.737 8.359 1.00 41.34 N ATOM 1979 CA HIS A 132 10.590 -9.425 9.795 1.00 22.54 C ATOM 1980 C HIS A 132 11.501 -8.245 10.220 1.00 54.14 C ATOM 1981 O HIS A 132 11.858 -8.059 11.382 1.00 45.31 O ATOM 1982 CB HIS A 132 10.804 -10.698 10.682 1.00 2.50 C ATOM 1983 CG HIS A 132 10.439 -10.529 12.143 1.00 15.14 C ATOM 1984 ND1 HIS A 132 11.345 -10.612 13.180 1.00 44.14 N ATOM 1985 CD2 HIS A 132 9.238 -10.279 12.722 1.00 23.02 C ATOM 1986 CE1 HIS A 132 10.689 -10.413 14.325 1.00 73.21 C ATOM 1987 NE2 HIS A 132 9.403 -10.204 14.104 1.00 72.22 N ATOM 0 H HIS A 132 9.986 -9.577 7.782 1.00 41.34 H new ATOM 0 HA HIS A 132 9.556 -9.115 9.944 1.00 22.54 H new ATOM 0 HB2 HIS A 132 10.213 -11.515 10.268 1.00 2.50 H new ATOM 0 HB3 HIS A 132 11.850 -10.996 10.617 1.00 2.50 H new ATOM 0 HD2 HIS A 132 8.303 -10.157 12.196 1.00 23.02 H new ATOM 0 HE1 HIS A 132 11.148 -10.422 15.302 1.00 73.21 H new ATOM 0 HE2 HIS A 132 8.680 -10.025 14.801 1.00 72.22 H new ATOM 1995 N GLN A 133 11.800 -7.416 9.260 1.00 31.44 N ATOM 1996 CA GLN A 133 12.602 -6.231 9.449 1.00 14.01 C ATOM 1997 C GLN A 133 11.726 -5.010 9.266 1.00 11.42 C ATOM 1998 O GLN A 133 12.190 -3.931 8.929 1.00 12.30 O ATOM 1999 CB GLN A 133 13.829 -6.215 8.541 1.00 51.50 C ATOM 2000 CG GLN A 133 14.755 -7.398 8.781 1.00 23.32 C ATOM 2001 CD GLN A 133 16.090 -7.259 8.094 1.00 14.15 C ATOM 2002 OE1 GLN A 133 16.606 -6.155 7.924 1.00 42.43 O ATOM 2003 NE2 GLN A 133 16.655 -8.367 7.689 1.00 34.04 N ATOM 0 H GLN A 133 11.487 -7.545 8.298 1.00 31.44 H new ATOM 0 HA GLN A 133 12.998 -6.226 10.464 1.00 14.01 H new ATOM 0 HB2 GLN A 133 13.505 -6.218 7.500 1.00 51.50 H new ATOM 0 HB3 GLN A 133 14.381 -5.289 8.700 1.00 51.50 H new ATOM 0 HG2 GLN A 133 14.916 -7.513 9.853 1.00 23.32 H new ATOM 0 HG3 GLN A 133 14.268 -8.309 8.432 1.00 23.32 H new ATOM 0 HE21 GLN A 133 16.194 -9.263 7.849 1.00 34.04 H new ATOM 0 HE22 GLN A 133 17.556 -8.335 7.213 1.00 34.04 H new ATOM 2012 N ALA A 134 10.432 -5.220 9.515 1.00 74.12 N ATOM 2013 CA ALA A 134 9.367 -4.222 9.377 1.00 30.52 C ATOM 2014 C ALA A 134 9.690 -2.921 10.126 1.00 62.23 C ATOM 2015 O ALA A 134 9.220 -1.851 9.747 1.00 32.02 O ATOM 2016 CB ALA A 134 8.055 -4.800 9.862 1.00 24.45 C ATOM 0 H ALA A 134 10.083 -6.125 9.831 1.00 74.12 H new ATOM 0 HA ALA A 134 9.285 -3.970 8.320 1.00 30.52 H new ATOM 0 HB1 ALA A 134 7.268 -4.054 9.757 1.00 24.45 H new ATOM 0 HB2 ALA A 134 7.803 -5.679 9.269 1.00 24.45 H new ATOM 0 HB3 ALA A 134 8.148 -5.084 10.910 1.00 24.45 H new ATOM 2022 N ARG A 135 10.480 -3.022 11.187 1.00 13.32 N ATOM 2023 CA ARG A 135 10.956 -1.848 11.924 1.00 64.42 C ATOM 2024 C ARG A 135 11.702 -0.867 11.007 1.00 10.02 C ATOM 2025 O ARG A 135 11.651 0.343 11.213 1.00 31.10 O ATOM 2026 CB ARG A 135 11.874 -2.266 13.061 1.00 54.30 C ATOM 2027 CG ARG A 135 11.169 -2.863 14.278 1.00 51.11 C ATOM 2028 CD ARG A 135 10.351 -1.808 15.001 1.00 25.21 C ATOM 2029 NE ARG A 135 11.194 -0.684 15.415 1.00 51.13 N ATOM 2030 CZ ARG A 135 10.766 0.490 15.867 1.00 72.32 C ATOM 2031 NH1 ARG A 135 9.470 0.713 16.022 1.00 15.22 N ATOM 2032 NH2 ARG A 135 11.644 1.437 16.184 1.00 22.42 N ATOM 0 H ARG A 135 10.810 -3.911 11.563 1.00 13.32 H new ATOM 0 HA ARG A 135 10.077 -1.345 12.328 1.00 64.42 H new ATOM 0 HB2 ARG A 135 12.589 -2.996 12.681 1.00 54.30 H new ATOM 0 HB3 ARG A 135 12.447 -1.396 13.383 1.00 54.30 H new ATOM 0 HG2 ARG A 135 10.520 -3.680 13.963 1.00 51.11 H new ATOM 0 HG3 ARG A 135 11.907 -3.287 14.959 1.00 51.11 H new ATOM 0 HD2 ARG A 135 9.555 -1.449 14.348 1.00 25.21 H new ATOM 0 HD3 ARG A 135 9.872 -2.250 15.875 1.00 25.21 H new ATOM 0 HE ARG A 135 12.204 -0.815 15.350 1.00 51.13 H new ATOM 0 HH11 ARG A 135 8.796 -0.018 15.794 1.00 15.22 H new ATOM 0 HH12 ARG A 135 9.146 1.616 16.369 1.00 15.22 H new ATOM 0 HH21 ARG A 135 12.643 1.261 16.080 1.00 22.42 H new ATOM 0 HH22 ARG A 135 11.318 2.339 16.531 1.00 22.42 H new ATOM 2046 N GLU A 136 12.374 -1.389 9.991 1.00 41.51 N ATOM 2047 CA GLU A 136 13.094 -0.564 9.032 1.00 21.33 C ATOM 2048 C GLU A 136 12.125 0.149 8.098 1.00 21.35 C ATOM 2049 O GLU A 136 12.421 1.220 7.574 1.00 20.11 O ATOM 2050 CB GLU A 136 14.087 -1.391 8.228 1.00 74.44 C ATOM 2051 CG GLU A 136 15.179 -2.023 9.059 1.00 14.11 C ATOM 2052 CD GLU A 136 15.931 -1.016 9.891 1.00 11.10 C ATOM 2053 OE1 GLU A 136 16.670 -0.184 9.333 1.00 41.00 O ATOM 2054 OE2 GLU A 136 15.791 -1.037 11.126 1.00 11.23 O ATOM 0 H GLU A 136 12.435 -2.391 9.809 1.00 41.51 H new ATOM 0 HA GLU A 136 13.652 0.185 9.595 1.00 21.33 H new ATOM 0 HB2 GLU A 136 13.546 -2.177 7.700 1.00 74.44 H new ATOM 0 HB3 GLU A 136 14.544 -0.755 7.470 1.00 74.44 H new ATOM 0 HG2 GLU A 136 14.742 -2.776 9.714 1.00 14.11 H new ATOM 0 HG3 GLU A 136 15.878 -2.540 8.401 1.00 14.11 H new ATOM 2061 N VAL A 137 10.963 -0.447 7.902 1.00 43.22 N ATOM 2062 CA VAL A 137 9.921 0.152 7.086 1.00 31.04 C ATOM 2063 C VAL A 137 9.391 1.357 7.834 1.00 44.45 C ATOM 2064 O VAL A 137 9.266 2.449 7.284 1.00 3.42 O ATOM 2065 CB VAL A 137 8.756 -0.840 6.826 1.00 34.14 C ATOM 2066 CG1 VAL A 137 7.693 -0.225 5.930 1.00 1.04 C ATOM 2067 CG2 VAL A 137 9.276 -2.134 6.232 1.00 33.01 C ATOM 0 H VAL A 137 10.715 -1.353 8.300 1.00 43.22 H new ATOM 0 HA VAL A 137 10.339 0.430 6.118 1.00 31.04 H new ATOM 0 HB VAL A 137 8.291 -1.064 7.786 1.00 34.14 H new ATOM 0 HG11 VAL A 137 6.892 -0.946 5.768 1.00 1.04 H new ATOM 0 HG12 VAL A 137 7.287 0.667 6.407 1.00 1.04 H new ATOM 0 HG13 VAL A 137 8.137 0.045 4.972 1.00 1.04 H new ATOM 0 HG21 VAL A 137 8.443 -2.815 6.058 1.00 33.01 H new ATOM 0 HG22 VAL A 137 9.778 -1.925 5.287 1.00 33.01 H new ATOM 0 HG23 VAL A 137 9.982 -2.594 6.923 1.00 33.01 H new ATOM 2077 N VAL A 138 9.152 1.146 9.117 1.00 11.31 N ATOM 2078 CA VAL A 138 8.687 2.187 10.016 1.00 52.34 C ATOM 2079 C VAL A 138 9.740 3.304 10.104 1.00 65.11 C ATOM 2080 O VAL A 138 9.410 4.485 10.072 1.00 41.44 O ATOM 2081 CB VAL A 138 8.402 1.616 11.434 1.00 32.24 C ATOM 2082 CG1 VAL A 138 7.908 2.704 12.368 1.00 32.43 C ATOM 2083 CG2 VAL A 138 7.386 0.480 11.365 1.00 35.14 C ATOM 0 H VAL A 138 9.276 0.239 9.567 1.00 11.31 H new ATOM 0 HA VAL A 138 7.756 2.592 9.620 1.00 52.34 H new ATOM 0 HB VAL A 138 9.338 1.222 11.829 1.00 32.24 H new ATOM 0 HG11 VAL A 138 7.716 2.278 13.353 1.00 32.43 H new ATOM 0 HG12 VAL A 138 8.665 3.484 12.451 1.00 32.43 H new ATOM 0 HG13 VAL A 138 6.987 3.133 11.972 1.00 32.43 H new ATOM 0 HG21 VAL A 138 7.202 0.095 12.368 1.00 35.14 H new ATOM 0 HG22 VAL A 138 6.453 0.852 10.942 1.00 35.14 H new ATOM 0 HG23 VAL A 138 7.777 -0.320 10.736 1.00 35.14 H new ATOM 2093 N ARG A 139 10.996 2.902 10.194 1.00 43.53 N ATOM 2094 CA ARG A 139 12.136 3.821 10.249 1.00 25.11 C ATOM 2095 C ARG A 139 12.165 4.711 8.999 1.00 54.21 C ATOM 2096 O ARG A 139 12.334 5.936 9.093 1.00 50.31 O ATOM 2097 CB ARG A 139 13.424 3.001 10.343 1.00 53.23 C ATOM 2098 CG ARG A 139 14.701 3.796 10.503 1.00 43.32 C ATOM 2099 CD ARG A 139 15.882 2.858 10.631 1.00 25.13 C ATOM 2100 NE ARG A 139 17.164 3.555 10.709 1.00 51.22 N ATOM 2101 CZ ARG A 139 18.359 2.992 10.450 1.00 31.34 C ATOM 2102 NH1 ARG A 139 18.443 1.721 10.047 1.00 2.25 N ATOM 2103 NH2 ARG A 139 19.471 3.702 10.577 1.00 40.12 N ATOM 0 H ARG A 139 11.263 1.918 10.232 1.00 43.53 H new ATOM 0 HA ARG A 139 12.044 4.466 11.123 1.00 25.11 H new ATOM 0 HB2 ARG A 139 13.336 2.317 11.187 1.00 53.23 H new ATOM 0 HB3 ARG A 139 13.509 2.389 9.445 1.00 53.23 H new ATOM 0 HG2 ARG A 139 14.840 4.454 9.645 1.00 43.32 H new ATOM 0 HG3 ARG A 139 14.635 4.433 11.385 1.00 43.32 H new ATOM 0 HD2 ARG A 139 15.755 2.243 11.522 1.00 25.13 H new ATOM 0 HD3 ARG A 139 15.895 2.181 9.776 1.00 25.13 H new ATOM 0 HE ARG A 139 17.153 4.539 10.979 1.00 51.22 H new ATOM 0 HH11 ARG A 139 17.595 1.165 9.932 1.00 2.25 H new ATOM 0 HH12 ARG A 139 19.355 1.306 9.854 1.00 2.25 H new ATOM 0 HH21 ARG A 139 19.422 4.677 10.872 1.00 40.12 H new ATOM 0 HH22 ARG A 139 20.375 3.273 10.380 1.00 40.12 H new ATOM 2117 N ARG A 140 11.967 4.090 7.842 1.00 72.33 N ATOM 2118 CA ARG A 140 11.952 4.799 6.570 1.00 63.44 C ATOM 2119 C ARG A 140 10.748 5.733 6.532 1.00 53.24 C ATOM 2120 O ARG A 140 10.846 6.872 6.092 1.00 74.34 O ATOM 2121 CB ARG A 140 11.866 3.800 5.409 1.00 71.42 C ATOM 2122 CG ARG A 140 12.081 4.399 4.018 1.00 70.31 C ATOM 2123 CD ARG A 140 13.525 4.871 3.813 1.00 10.05 C ATOM 2124 NE ARG A 140 14.488 3.763 3.981 1.00 12.10 N ATOM 2125 CZ ARG A 140 15.530 3.497 3.176 1.00 63.44 C ATOM 2126 NH1 ARG A 140 15.815 4.294 2.146 1.00 55.03 N ATOM 2127 NH2 ARG A 140 16.298 2.443 3.423 1.00 73.13 N ATOM 0 H ARG A 140 11.813 3.085 7.760 1.00 72.33 H new ATOM 0 HA ARG A 140 12.871 5.377 6.469 1.00 63.44 H new ATOM 0 HB2 ARG A 140 12.607 3.017 5.569 1.00 71.42 H new ATOM 0 HB3 ARG A 140 10.887 3.322 5.434 1.00 71.42 H new ATOM 0 HG2 ARG A 140 11.832 3.656 3.261 1.00 70.31 H new ATOM 0 HG3 ARG A 140 11.401 5.239 3.876 1.00 70.31 H new ATOM 0 HD2 ARG A 140 13.631 5.298 2.816 1.00 10.05 H new ATOM 0 HD3 ARG A 140 13.754 5.664 4.525 1.00 10.05 H new ATOM 0 HE ARG A 140 14.349 3.144 4.780 1.00 12.10 H new ATOM 0 HH11 ARG A 140 15.239 5.116 1.962 1.00 55.03 H new ATOM 0 HH12 ARG A 140 16.609 4.082 1.542 1.00 55.03 H new ATOM 0 HH21 ARG A 140 16.096 1.840 4.220 1.00 73.13 H new ATOM 0 HH22 ARG A 140 17.091 2.236 2.815 1.00 73.13 H new ATOM 2141 N ALA A 141 9.624 5.237 7.024 1.00 55.34 N ATOM 2142 CA ALA A 141 8.381 5.984 7.079 1.00 22.01 C ATOM 2143 C ALA A 141 8.541 7.253 7.898 1.00 50.21 C ATOM 2144 O ALA A 141 8.135 8.329 7.461 1.00 34.43 O ATOM 2145 CB ALA A 141 7.288 5.119 7.668 1.00 31.14 C ATOM 0 H ALA A 141 9.550 4.292 7.401 1.00 55.34 H new ATOM 0 HA ALA A 141 8.108 6.270 6.063 1.00 22.01 H new ATOM 0 HB1 ALA A 141 6.357 5.685 7.707 1.00 31.14 H new ATOM 0 HB2 ALA A 141 7.149 4.235 7.046 1.00 31.14 H new ATOM 0 HB3 ALA A 141 7.569 4.813 8.676 1.00 31.14 H new ATOM 2151 N GLN A 142 9.159 7.128 9.066 1.00 31.12 N ATOM 2152 CA GLN A 142 9.394 8.273 9.939 1.00 10.01 C ATOM 2153 C GLN A 142 10.287 9.290 9.254 1.00 21.41 C ATOM 2154 O GLN A 142 10.017 10.483 9.300 1.00 72.20 O ATOM 2155 CB GLN A 142 10.016 7.844 11.265 1.00 24.14 C ATOM 2156 CG GLN A 142 9.129 6.965 12.136 1.00 11.11 C ATOM 2157 CD GLN A 142 9.831 6.545 13.409 1.00 21.42 C ATOM 2158 OE1 GLN A 142 9.501 5.394 13.918 1.00 21.42 O flip ATOM 2159 NE2 GLN A 142 10.680 7.264 13.934 1.00 43.10 N flip ATOM 0 H GLN A 142 9.508 6.242 9.432 1.00 31.12 H new ATOM 0 HA GLN A 142 8.427 8.731 10.149 1.00 10.01 H new ATOM 0 HB2 GLN A 142 10.942 7.308 11.058 1.00 24.14 H new ATOM 0 HB3 GLN A 142 10.284 8.737 11.830 1.00 24.14 H new ATOM 0 HG2 GLN A 142 8.215 7.505 12.386 1.00 11.11 H new ATOM 0 HG3 GLN A 142 8.832 6.079 11.575 1.00 11.11 H new ATOM 0 HE21 GLN A 142 10.919 8.162 13.513 1.00 43.10 H new ATOM 0 HE22 GLN A 142 11.145 6.962 14.790 1.00 43.10 H new ATOM 2168 N ALA A 143 11.312 8.799 8.569 1.00 50.04 N ATOM 2169 CA ALA A 143 12.262 9.651 7.862 1.00 24.51 C ATOM 2170 C ALA A 143 11.616 10.381 6.689 1.00 3.21 C ATOM 2171 O ALA A 143 12.070 11.458 6.286 1.00 53.40 O ATOM 2172 CB ALA A 143 13.442 8.838 7.387 1.00 70.23 C ATOM 0 H ALA A 143 11.509 7.801 8.487 1.00 50.04 H new ATOM 0 HA ALA A 143 12.607 10.408 8.566 1.00 24.51 H new ATOM 0 HB1 ALA A 143 14.143 9.487 6.861 1.00 70.23 H new ATOM 0 HB2 ALA A 143 13.940 8.385 8.244 1.00 70.23 H new ATOM 0 HB3 ALA A 143 13.096 8.055 6.712 1.00 70.23 H new ATOM 2178 N MET A 144 10.579 9.794 6.128 1.00 15.31 N ATOM 2179 CA MET A 144 9.876 10.419 5.020 1.00 5.35 C ATOM 2180 C MET A 144 8.817 11.376 5.539 1.00 71.10 C ATOM 2181 O MET A 144 8.521 12.396 4.919 1.00 71.11 O ATOM 2182 CB MET A 144 9.220 9.377 4.093 1.00 42.25 C ATOM 2183 CG MET A 144 10.187 8.374 3.470 1.00 42.24 C ATOM 2184 SD MET A 144 11.531 9.138 2.532 1.00 54.31 S ATOM 2185 CE MET A 144 10.626 9.950 1.212 1.00 73.22 C ATOM 0 H MET A 144 10.204 8.891 6.417 1.00 15.31 H new ATOM 0 HA MET A 144 10.615 10.970 4.439 1.00 5.35 H new ATOM 0 HB2 MET A 144 8.467 8.830 4.660 1.00 42.25 H new ATOM 0 HB3 MET A 144 8.697 9.901 3.293 1.00 42.25 H new ATOM 0 HG2 MET A 144 10.614 7.757 4.260 1.00 42.24 H new ATOM 0 HG3 MET A 144 9.630 7.708 2.811 1.00 42.24 H new ATOM 0 HE1 MET A 144 11.328 10.327 0.468 1.00 73.22 H new ATOM 0 HE2 MET A 144 9.948 9.237 0.743 1.00 73.22 H new ATOM 0 HE3 MET A 144 10.052 10.781 1.622 1.00 73.22 H new ATOM 2195 N ALA A 145 8.251 11.055 6.677 1.00 3.25 N ATOM 2196 CA ALA A 145 7.198 11.860 7.240 1.00 21.42 C ATOM 2197 C ALA A 145 7.737 13.062 7.982 1.00 73.54 C ATOM 2198 O ALA A 145 7.460 14.203 7.606 1.00 11.03 O ATOM 2199 CB ALA A 145 6.302 11.036 8.133 1.00 13.15 C ATOM 0 H ALA A 145 8.504 10.238 7.232 1.00 3.25 H new ATOM 0 HA ALA A 145 6.602 12.233 6.407 1.00 21.42 H new ATOM 0 HB1 ALA A 145 5.516 11.670 8.544 1.00 13.15 H new ATOM 0 HB2 ALA A 145 5.852 10.230 7.553 1.00 13.15 H new ATOM 0 HB3 ALA A 145 6.890 10.613 8.947 1.00 13.15 H new ATOM 2205 N TYR A 146 8.527 12.829 8.990 1.00 3.41 N ATOM 2206 CA TYR A 146 9.032 13.892 9.812 1.00 72.31 C ATOM 2207 C TYR A 146 10.540 13.848 9.811 1.00 21.54 C ATOM 2208 O TYR A 146 11.133 13.171 10.684 1.00 37.98 O ATOM 2209 CB TYR A 146 8.472 13.789 11.247 1.00 64.12 C ATOM 2210 CG TYR A 146 6.955 13.880 11.325 1.00 4.54 C ATOM 2211 CD1 TYR A 146 6.315 15.109 11.295 1.00 33.01 C ATOM 2212 CD2 TYR A 146 6.168 12.734 11.421 1.00 4.03 C ATOM 2213 CE1 TYR A 146 4.939 15.200 11.353 1.00 14.12 C ATOM 2214 CE2 TYR A 146 4.787 12.818 11.482 1.00 54.44 C ATOM 2215 CZ TYR A 146 4.180 14.056 11.449 1.00 14.24 C ATOM 2216 OH TYR A 146 2.807 14.156 11.494 1.00 54.12 O ATOM 2217 OXT TYR A 146 11.154 14.461 8.908 1.00 37.98 O ATOM 0 H TYR A 146 8.839 11.898 9.266 1.00 3.41 H new ATOM 0 HA TYR A 146 8.706 14.849 9.404 1.00 72.31 H new ATOM 0 HB2 TYR A 146 8.792 12.843 11.685 1.00 64.12 H new ATOM 0 HB3 TYR A 146 8.906 14.584 11.854 1.00 64.12 H new ATOM 0 HD1 TYR A 146 6.904 16.012 11.225 1.00 33.01 H new ATOM 0 HD2 TYR A 146 6.643 11.764 11.448 1.00 4.03 H new ATOM 0 HE1 TYR A 146 4.459 16.167 11.323 1.00 14.12 H new ATOM 0 HE2 TYR A 146 4.190 11.921 11.555 1.00 54.44 H new ATOM 0 HH TYR A 146 2.457 13.550 12.180 1.00 54.12 H new TER 2227 TYR A 146