USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 980 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=-0.062) USER MOD Set 2.1: A 5 MET CE :methyl 180:sc= -0.537 (180deg=-0.537) USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.114 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 15 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 34 HIS : no HD1:sc= 0.548 K(o=0.55,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot -70:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.99) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.292 K(o=0.29,f=-1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 67 ASN :FLIP amide:sc= -2.62! C(o=-3.3!,f=-2.6!) USER MOD Single : A 71 THR OG1 : rot -51:sc= -2.06! USER MOD Single : A 73 ASN : amide:sc= -0.537! C(o=-0.54!,f=-4.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 81 MET CE :methyl -162:sc= -0.997 (180deg=-1.86) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.014 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.0954 (180deg=-0.48) USER MOD Single : A 105 ASN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 113 SER OG : rot 90:sc= 1.24 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.0864 F(o=-1.1,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.009 -15.222 7.160 1.00 9.84 N ATOM 2 CA GLY A 1 -26.967 -15.435 6.130 1.00 9.33 C ATOM 3 C GLY A 1 -25.816 -16.262 6.659 1.00 8.55 C ATOM 4 O GLY A 1 -25.715 -16.487 7.864 1.00 8.34 O ATOM 0 H1 GLY A 1 -28.898 -15.665 6.851 1.00 9.84 H new ATOM 0 H2 GLY A 1 -27.703 -15.649 8.057 1.00 9.84 H new ATOM 0 H3 GLY A 1 -28.160 -14.202 7.296 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -27.406 -15.934 5.266 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -26.594 -14.471 5.786 1.00 9.33 H new ATOM 10 N ALA A 2 -24.949 -16.712 5.763 1.00 8.39 N ATOM 11 CA ALA A 2 -23.808 -17.528 6.151 1.00 7.95 C ATOM 12 C ALA A 2 -22.581 -16.661 6.405 1.00 7.24 C ATOM 13 O ALA A 2 -21.843 -16.875 7.370 1.00 7.25 O ATOM 14 CB ALA A 2 -23.509 -18.569 5.080 1.00 8.62 C ATOM 0 H ALA A 2 -25.014 -16.526 4.762 1.00 8.39 H new ATOM 0 HA ALA A 2 -24.059 -18.043 7.078 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -22.653 -19.170 5.386 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -24.377 -19.214 4.948 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -23.282 -18.068 4.139 1.00 8.62 H new ATOM 20 N MET A 3 -22.373 -15.674 5.549 1.00 6.97 N ATOM 21 CA MET A 3 -21.211 -14.806 5.660 1.00 6.66 C ATOM 22 C MET A 3 -21.629 -13.397 6.071 1.00 5.89 C ATOM 23 O MET A 3 -21.612 -13.062 7.257 1.00 5.94 O ATOM 24 CB MET A 3 -20.438 -14.769 4.334 1.00 7.35 C ATOM 25 CG MET A 3 -19.877 -16.119 3.910 1.00 8.09 C ATOM 26 SD MET A 3 -18.788 -16.842 5.152 1.00 8.78 S ATOM 27 CE MET A 3 -18.274 -18.337 4.314 1.00 9.31 C ATOM 0 H MET A 3 -22.993 -15.453 4.770 1.00 6.97 H new ATOM 0 HA MET A 3 -20.556 -15.210 6.432 1.00 6.66 H new ATOM 0 HB2 MET A 3 -21.098 -14.398 3.550 1.00 7.35 H new ATOM 0 HB3 MET A 3 -19.617 -14.057 4.423 1.00 7.35 H new ATOM 0 HG2 MET A 3 -20.701 -16.804 3.712 1.00 8.09 H new ATOM 0 HG3 MET A 3 -19.328 -16.002 2.975 1.00 8.09 H new ATOM 0 HE1 MET A 3 -17.476 -18.816 4.881 1.00 9.31 H new ATOM 0 HE2 MET A 3 -19.121 -19.018 4.233 1.00 9.31 H new ATOM 0 HE3 MET A 3 -17.911 -18.089 3.317 1.00 9.31 H new ATOM 37 N GLY A 4 -22.024 -12.580 5.102 1.00 5.55 N ATOM 38 CA GLY A 4 -22.458 -11.229 5.403 1.00 5.17 C ATOM 39 C GLY A 4 -21.310 -10.317 5.786 1.00 4.35 C ATOM 40 O GLY A 4 -21.397 -9.569 6.762 1.00 4.64 O ATOM 0 H GLY A 4 -22.052 -12.829 4.113 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -22.971 -10.815 4.535 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -23.181 -11.257 6.218 1.00 5.17 H new ATOM 44 N MET A 5 -20.230 -10.382 5.022 1.00 3.80 N ATOM 45 CA MET A 5 -19.065 -9.544 5.272 1.00 3.46 C ATOM 46 C MET A 5 -18.895 -8.527 4.150 1.00 2.69 C ATOM 47 O MET A 5 -17.815 -7.962 3.958 1.00 3.15 O ATOM 48 CB MET A 5 -17.793 -10.398 5.416 1.00 4.10 C ATOM 49 CG MET A 5 -17.325 -11.067 4.125 1.00 4.56 C ATOM 50 SD MET A 5 -18.556 -12.177 3.414 1.00 5.55 S ATOM 51 CE MET A 5 -17.623 -12.896 2.066 1.00 6.19 C ATOM 0 H MET A 5 -20.135 -11.007 4.222 1.00 3.80 H new ATOM 0 HA MET A 5 -19.224 -9.011 6.209 1.00 3.46 H new ATOM 0 HB2 MET A 5 -16.989 -9.767 5.795 1.00 4.10 H new ATOM 0 HB3 MET A 5 -17.972 -11.169 6.165 1.00 4.10 H new ATOM 0 HG2 MET A 5 -17.074 -10.298 3.395 1.00 4.56 H new ATOM 0 HG3 MET A 5 -16.412 -11.627 4.324 1.00 4.56 H new ATOM 0 HE1 MET A 5 -18.250 -13.607 1.528 1.00 6.19 H new ATOM 0 HE2 MET A 5 -17.301 -12.108 1.385 1.00 6.19 H new ATOM 0 HE3 MET A 5 -16.749 -13.412 2.463 1.00 6.19 H new ATOM 61 N SER A 6 -19.985 -8.304 3.418 1.00 2.04 N ATOM 62 CA SER A 6 -20.000 -7.395 2.279 1.00 1.62 C ATOM 63 C SER A 6 -18.973 -7.816 1.226 1.00 1.22 C ATOM 64 O SER A 6 -17.957 -7.146 1.031 1.00 1.33 O ATOM 65 CB SER A 6 -19.743 -5.959 2.741 1.00 2.15 C ATOM 66 OG SER A 6 -20.686 -5.568 3.727 1.00 2.78 O ATOM 0 H SER A 6 -20.884 -8.751 3.600 1.00 2.04 H new ATOM 0 HA SER A 6 -20.987 -7.441 1.820 1.00 1.62 H new ATOM 0 HB2 SER A 6 -18.734 -5.878 3.145 1.00 2.15 H new ATOM 0 HB3 SER A 6 -19.801 -5.283 1.888 1.00 2.15 H new ATOM 0 HG SER A 6 -20.502 -4.648 4.009 1.00 2.78 H new ATOM 72 N PRO A 7 -19.235 -8.930 0.514 1.00 1.00 N ATOM 73 CA PRO A 7 -18.322 -9.444 -0.511 1.00 0.92 C ATOM 74 C PRO A 7 -18.155 -8.460 -1.661 1.00 0.83 C ATOM 75 O PRO A 7 -17.157 -8.485 -2.379 1.00 0.81 O ATOM 76 CB PRO A 7 -18.995 -10.729 -1.008 1.00 1.15 C ATOM 77 CG PRO A 7 -20.019 -11.069 0.021 1.00 1.35 C ATOM 78 CD PRO A 7 -20.439 -9.768 0.643 1.00 1.22 C ATOM 0 HA PRO A 7 -17.322 -9.611 -0.112 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -19.456 -10.578 -1.984 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -18.269 -11.534 -1.119 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -20.871 -11.577 -0.431 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -19.607 -11.744 0.771 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -21.292 -9.330 0.124 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -20.731 -9.896 1.685 1.00 1.22 H new ATOM 86 N ASP A 8 -19.136 -7.581 -1.807 1.00 0.81 N ATOM 87 CA ASP A 8 -19.110 -6.571 -2.855 1.00 0.80 C ATOM 88 C ASP A 8 -18.066 -5.512 -2.535 1.00 0.67 C ATOM 89 O ASP A 8 -17.350 -5.047 -3.416 1.00 0.67 O ATOM 90 CB ASP A 8 -20.487 -5.924 -3.007 1.00 0.91 C ATOM 91 CG ASP A 8 -20.504 -4.837 -4.062 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.566 -5.170 -5.265 1.00 2.18 O ATOM 93 OD2 ASP A 8 -20.434 -3.646 -3.690 1.00 2.05 O ATOM 0 H ASP A 8 -19.963 -7.547 -1.211 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.847 -7.053 -3.797 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -21.218 -6.690 -3.267 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.794 -5.502 -2.050 1.00 0.91 H new ATOM 98 N THR A 9 -17.976 -5.154 -1.261 1.00 0.62 N ATOM 99 CA THR A 9 -17.008 -4.172 -0.803 1.00 0.58 C ATOM 100 C THR A 9 -15.582 -4.668 -1.040 1.00 0.49 C ATOM 101 O THR A 9 -14.756 -3.964 -1.622 1.00 0.46 O ATOM 102 CB THR A 9 -17.207 -3.869 0.696 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.557 -3.447 0.935 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.242 -2.794 1.168 1.00 0.72 C ATOM 0 H THR A 9 -18.568 -5.534 -0.522 1.00 0.62 H new ATOM 0 HA THR A 9 -17.165 -3.257 -1.374 1.00 0.58 H new ATOM 0 HB THR A 9 -17.006 -4.782 1.257 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.677 -3.258 1.889 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.404 -2.600 2.228 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.217 -3.132 1.013 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.412 -1.878 0.601 1.00 0.72 H new ATOM 112 N ALA A 10 -15.315 -5.893 -0.600 1.00 0.51 N ATOM 113 CA ALA A 10 -13.994 -6.491 -0.735 1.00 0.50 C ATOM 114 C ALA A 10 -13.598 -6.643 -2.201 1.00 0.48 C ATOM 115 O ALA A 10 -12.481 -6.305 -2.592 1.00 0.45 O ATOM 116 CB ALA A 10 -13.958 -7.841 -0.032 1.00 0.60 C ATOM 0 H ALA A 10 -16.002 -6.494 -0.144 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.271 -5.824 -0.265 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.966 -8.280 -0.139 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -14.184 -7.706 1.026 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.698 -8.504 -0.479 1.00 0.60 H new ATOM 122 N ARG A 11 -14.529 -7.130 -3.011 1.00 0.54 N ATOM 123 CA ARG A 11 -14.256 -7.402 -4.419 1.00 0.59 C ATOM 124 C ARG A 11 -14.025 -6.111 -5.200 1.00 0.52 C ATOM 125 O ARG A 11 -13.103 -6.020 -6.014 1.00 0.52 O ATOM 126 CB ARG A 11 -15.411 -8.188 -5.038 1.00 0.74 C ATOM 127 CG ARG A 11 -15.194 -8.567 -6.493 1.00 1.02 C ATOM 128 CD ARG A 11 -16.364 -9.378 -7.026 1.00 1.21 C ATOM 129 NE ARG A 11 -16.551 -10.618 -6.274 1.00 1.97 N ATOM 130 CZ ARG A 11 -17.674 -10.954 -5.638 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.716 -10.127 -5.623 1.00 2.44 N ATOM 132 NH2 ARG A 11 -17.749 -12.117 -5.005 1.00 3.56 N ATOM 0 H ARG A 11 -15.482 -7.346 -2.718 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.345 -7.998 -4.474 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.571 -9.096 -4.457 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.323 -7.595 -4.960 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -15.069 -7.665 -7.092 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.274 -9.143 -6.589 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -17.274 -8.781 -6.974 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.196 -9.612 -8.077 1.00 1.21 H new ATOM 0 HE ARG A 11 -15.769 -11.271 -6.233 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.660 -9.227 -6.101 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -19.571 -10.393 -5.134 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -16.950 -12.751 -5.006 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -18.606 -12.378 -4.517 1.00 3.56 H new ATOM 146 N ARG A 12 -14.860 -5.112 -4.942 1.00 0.51 N ATOM 147 CA ARG A 12 -14.772 -3.836 -5.640 1.00 0.51 C ATOM 148 C ARG A 12 -13.475 -3.108 -5.310 1.00 0.42 C ATOM 149 O ARG A 12 -12.874 -2.476 -6.178 1.00 0.41 O ATOM 150 CB ARG A 12 -15.982 -2.961 -5.306 1.00 0.57 C ATOM 151 CG ARG A 12 -17.183 -3.226 -6.204 1.00 1.31 C ATOM 152 CD ARG A 12 -18.375 -2.361 -5.831 1.00 1.38 C ATOM 153 NE ARG A 12 -19.263 -2.132 -6.971 1.00 2.05 N ATOM 154 CZ ARG A 12 -20.561 -1.845 -6.864 1.00 2.50 C ATOM 155 NH1 ARG A 12 -21.177 -1.941 -5.692 1.00 2.39 N ATOM 156 NH2 ARG A 12 -21.258 -1.511 -7.942 1.00 3.49 N ATOM 0 H ARG A 12 -15.609 -5.162 -4.251 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.772 -4.040 -6.711 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.269 -3.130 -4.268 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.698 -1.912 -5.391 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -16.908 -3.037 -7.242 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.462 -4.277 -6.135 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -18.933 -2.840 -5.027 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -18.022 -1.403 -5.448 1.00 1.38 H new ATOM 0 HE ARG A 12 -18.864 -2.196 -7.907 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -20.657 -2.236 -4.865 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -22.170 -1.720 -5.618 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -20.801 -1.474 -8.853 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -22.251 -1.292 -7.860 1.00 3.49 H new ATOM 170 N PHE A 13 -13.032 -3.211 -4.064 1.00 0.40 N ATOM 171 CA PHE A 13 -11.775 -2.592 -3.659 1.00 0.37 C ATOM 172 C PHE A 13 -10.606 -3.257 -4.376 1.00 0.33 C ATOM 173 O PHE A 13 -9.699 -2.583 -4.867 1.00 0.33 O ATOM 174 CB PHE A 13 -11.592 -2.685 -2.140 1.00 0.41 C ATOM 175 CG PHE A 13 -10.310 -2.074 -1.640 1.00 0.41 C ATOM 176 CD1 PHE A 13 -10.220 -0.712 -1.399 1.00 0.43 C ATOM 177 CD2 PHE A 13 -9.194 -2.864 -1.408 1.00 0.46 C ATOM 178 CE1 PHE A 13 -9.044 -0.153 -0.938 1.00 0.48 C ATOM 179 CE2 PHE A 13 -8.016 -2.309 -0.949 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.942 -0.951 -0.712 1.00 0.50 C ATOM 0 H PHE A 13 -13.519 -3.713 -3.321 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.803 -1.538 -3.937 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.432 -2.191 -1.652 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.623 -3.734 -1.844 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -11.079 -0.081 -1.574 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -9.247 -3.927 -1.589 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.987 0.910 -0.754 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -7.154 -2.936 -0.776 1.00 0.51 H new ATOM 0 HZ PHE A 13 -7.023 -0.514 -0.350 1.00 0.50 H new ATOM 190 N ASP A 14 -10.659 -4.579 -4.458 1.00 0.35 N ATOM 191 CA ASP A 14 -9.595 -5.365 -5.077 1.00 0.37 C ATOM 192 C ASP A 14 -9.468 -5.068 -6.569 1.00 0.34 C ATOM 193 O ASP A 14 -8.367 -5.047 -7.118 1.00 0.37 O ATOM 194 CB ASP A 14 -9.861 -6.858 -4.854 1.00 0.47 C ATOM 195 CG ASP A 14 -8.985 -7.758 -5.707 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.753 -7.545 -5.723 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.515 -8.672 -6.363 1.00 0.65 O ATOM 0 H ASP A 14 -11.435 -5.136 -4.100 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.652 -5.087 -4.607 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.699 -7.096 -3.803 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.908 -7.070 -5.071 1.00 0.47 H new ATOM 202 N THR A 15 -10.591 -4.816 -7.219 1.00 0.33 N ATOM 203 CA THR A 15 -10.599 -4.632 -8.660 1.00 0.34 C ATOM 204 C THR A 15 -10.445 -3.165 -9.074 1.00 0.33 C ATOM 205 O THR A 15 -9.697 -2.856 -10.000 1.00 0.37 O ATOM 206 CB THR A 15 -11.884 -5.215 -9.271 1.00 0.39 C ATOM 207 OG1 THR A 15 -13.008 -4.892 -8.440 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.772 -6.724 -9.422 1.00 1.34 C ATOM 0 H THR A 15 -11.505 -4.734 -6.774 1.00 0.33 H new ATOM 0 HA THR A 15 -9.732 -5.169 -9.045 1.00 0.34 H new ATOM 0 HB THR A 15 -12.026 -4.778 -10.259 1.00 0.39 H new ATOM 0 HG1 THR A 15 -13.109 -5.576 -7.745 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.692 -7.116 -9.856 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.932 -6.963 -10.075 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.611 -7.177 -8.444 1.00 1.34 H new ATOM 216 N GLU A 16 -11.139 -2.265 -8.390 1.00 0.33 N ATOM 217 CA GLU A 16 -11.154 -0.859 -8.789 1.00 0.39 C ATOM 218 C GLU A 16 -10.046 -0.048 -8.108 1.00 0.37 C ATOM 219 O GLU A 16 -9.373 0.758 -8.752 1.00 0.46 O ATOM 220 CB GLU A 16 -12.519 -0.241 -8.466 1.00 0.48 C ATOM 221 CG GLU A 16 -12.658 1.208 -8.902 1.00 0.60 C ATOM 222 CD GLU A 16 -12.827 1.365 -10.400 1.00 1.15 C ATOM 223 OE1 GLU A 16 -11.825 1.216 -11.129 1.00 1.81 O ATOM 224 OE2 GLU A 16 -13.958 1.629 -10.860 1.00 1.27 O ATOM 0 H GLU A 16 -11.696 -2.478 -7.562 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.972 -0.825 -9.863 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.298 -0.832 -8.949 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.691 -0.305 -7.391 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.516 1.652 -8.397 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.777 1.764 -8.582 1.00 0.60 H new ATOM 231 N PHE A 17 -9.848 -0.263 -6.817 1.00 0.31 N ATOM 232 CA PHE A 17 -8.973 0.611 -6.038 1.00 0.32 C ATOM 233 C PHE A 17 -7.553 0.060 -5.906 1.00 0.30 C ATOM 234 O PHE A 17 -6.589 0.777 -6.165 1.00 0.33 O ATOM 235 CB PHE A 17 -9.570 0.861 -4.649 1.00 0.37 C ATOM 236 CG PHE A 17 -10.850 1.658 -4.676 1.00 0.42 C ATOM 237 CD1 PHE A 17 -12.060 1.038 -4.951 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.845 3.026 -4.429 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.236 1.764 -4.980 1.00 0.48 C ATOM 240 CE2 PHE A 17 -12.019 3.753 -4.458 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.209 3.133 -4.719 1.00 0.57 C ATOM 0 H PHE A 17 -10.274 -1.024 -6.288 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.903 1.553 -6.582 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.759 -0.098 -4.166 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.837 1.387 -4.037 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -12.084 -0.024 -5.145 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.913 3.526 -4.212 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -14.171 1.273 -5.204 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.997 4.817 -4.274 1.00 0.72 H new ATOM 0 HZ PHE A 17 -14.126 3.703 -4.723 1.00 0.57 H new ATOM 251 N ALA A 18 -7.427 -1.205 -5.517 1.00 0.29 N ATOM 252 CA ALA A 18 -6.120 -1.798 -5.222 1.00 0.30 C ATOM 253 C ALA A 18 -5.105 -1.634 -6.368 1.00 0.29 C ATOM 254 O ALA A 18 -3.979 -1.201 -6.119 1.00 0.30 O ATOM 255 CB ALA A 18 -6.264 -3.263 -4.827 1.00 0.32 C ATOM 0 H ALA A 18 -8.214 -1.843 -5.398 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.716 -1.243 -4.375 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.280 -3.681 -4.613 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.892 -3.340 -3.939 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.723 -3.817 -5.646 1.00 0.32 H new ATOM 261 N PRO A 19 -5.463 -1.958 -7.636 1.00 0.30 N ATOM 262 CA PRO A 19 -4.538 -1.796 -8.766 1.00 0.32 C ATOM 263 C PRO A 19 -4.123 -0.342 -8.970 1.00 0.31 C ATOM 264 O PRO A 19 -3.009 -0.057 -9.418 1.00 0.32 O ATOM 265 CB PRO A 19 -5.340 -2.295 -9.975 1.00 0.37 C ATOM 266 CG PRO A 19 -6.405 -3.151 -9.393 1.00 0.35 C ATOM 267 CD PRO A 19 -6.754 -2.518 -8.080 1.00 0.31 C ATOM 0 HA PRO A 19 -3.609 -2.342 -8.605 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.764 -1.464 -10.539 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.710 -2.859 -10.663 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.274 -3.197 -10.050 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.055 -4.174 -9.255 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.514 -1.744 -8.193 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.145 -3.247 -7.370 1.00 0.31 H new ATOM 275 N ARG A 20 -5.020 0.574 -8.619 1.00 0.32 N ATOM 276 CA ARG A 20 -4.760 1.998 -8.775 1.00 0.35 C ATOM 277 C ARG A 20 -3.792 2.475 -7.699 1.00 0.30 C ATOM 278 O ARG A 20 -2.890 3.263 -7.973 1.00 0.31 O ATOM 279 CB ARG A 20 -6.071 2.789 -8.707 1.00 0.43 C ATOM 280 CG ARG A 20 -5.892 4.294 -8.847 1.00 1.07 C ATOM 281 CD ARG A 20 -7.229 5.014 -8.791 1.00 1.40 C ATOM 282 NE ARG A 20 -7.079 6.468 -8.841 1.00 1.95 N ATOM 283 CZ ARG A 20 -8.075 7.326 -8.622 1.00 2.73 C ATOM 284 NH1 ARG A 20 -9.293 6.874 -8.329 1.00 3.15 N ATOM 285 NH2 ARG A 20 -7.851 8.633 -8.686 1.00 3.58 N ATOM 0 H ARG A 20 -5.934 0.354 -8.224 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.306 2.168 -9.751 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.737 2.438 -9.495 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.562 2.578 -7.757 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -5.244 4.661 -8.051 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -5.395 4.518 -9.791 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -7.851 4.686 -9.624 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -7.751 4.736 -7.875 1.00 1.40 H new ATOM 0 HE ARG A 20 -6.157 6.848 -9.056 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -9.464 5.870 -8.272 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -10.054 7.532 -8.162 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -6.917 8.980 -8.903 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -8.613 9.290 -8.518 1.00 3.58 H new ATOM 299 N ILE A 21 -3.977 1.975 -6.482 1.00 0.28 N ATOM 300 CA ILE A 21 -3.093 2.306 -5.372 1.00 0.28 C ATOM 301 C ILE A 21 -1.674 1.849 -5.682 1.00 0.24 C ATOM 302 O ILE A 21 -0.719 2.615 -5.555 1.00 0.25 O ATOM 303 CB ILE A 21 -3.559 1.642 -4.056 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.996 2.057 -3.725 1.00 0.35 C ATOM 305 CG2 ILE A 21 -2.621 2.009 -2.911 1.00 0.33 C ATOM 306 CD1 ILE A 21 -5.584 1.340 -2.522 1.00 0.38 C ATOM 0 H ILE A 21 -4.735 1.337 -6.239 1.00 0.28 H new ATOM 0 HA ILE A 21 -3.120 3.388 -5.243 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.534 0.560 -4.189 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -5.020 3.131 -3.542 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.627 1.867 -4.593 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.964 1.533 -1.993 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -1.613 1.666 -3.143 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -2.615 3.091 -2.778 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -6.603 1.689 -2.353 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -5.594 0.266 -2.708 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.978 1.550 -1.641 1.00 0.38 H new ATOM 318 N ALA A 22 -1.557 0.601 -6.119 1.00 0.23 N ATOM 319 CA ALA A 22 -0.266 0.011 -6.443 1.00 0.23 C ATOM 320 C ALA A 22 0.426 0.771 -7.568 1.00 0.24 C ATOM 321 O ALA A 22 1.649 0.908 -7.575 1.00 0.28 O ATOM 322 CB ALA A 22 -0.451 -1.448 -6.829 1.00 0.25 C ATOM 0 H ALA A 22 -2.349 -0.026 -6.258 1.00 0.23 H new ATOM 0 HA ALA A 22 0.370 0.075 -5.560 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.517 -1.886 -7.071 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.897 -1.991 -5.996 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.106 -1.514 -7.698 1.00 0.25 H new ATOM 328 N ARG A 23 -0.364 1.260 -8.513 1.00 0.27 N ATOM 329 CA ARG A 23 0.164 1.999 -9.652 1.00 0.34 C ATOM 330 C ARG A 23 0.672 3.377 -9.236 1.00 0.30 C ATOM 331 O ARG A 23 1.745 3.804 -9.668 1.00 0.31 O ATOM 332 CB ARG A 23 -0.912 2.133 -10.730 1.00 0.47 C ATOM 333 CG ARG A 23 -0.481 2.946 -11.937 1.00 1.16 C ATOM 334 CD ARG A 23 -1.452 2.765 -13.088 1.00 1.33 C ATOM 335 NE ARG A 23 -1.484 1.375 -13.543 1.00 1.85 N ATOM 336 CZ ARG A 23 -2.596 0.712 -13.860 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.777 1.316 -13.809 1.00 2.41 N ATOM 338 NH2 ARG A 23 -2.524 -0.557 -14.234 1.00 3.36 N ATOM 0 H ARG A 23 -1.379 1.158 -8.513 1.00 0.27 H new ATOM 0 HA ARG A 23 1.010 1.442 -10.055 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.205 1.137 -11.062 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.796 2.595 -10.291 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -0.423 4.001 -11.668 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.518 2.641 -12.248 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -2.451 3.071 -12.776 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.164 3.414 -13.915 1.00 1.33 H new ATOM 0 HE ARG A 23 -0.596 0.880 -13.623 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.838 2.294 -13.526 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -4.624 0.802 -14.053 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -1.619 -1.025 -14.279 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -3.374 -1.066 -14.477 1.00 3.36 H new ATOM 352 N ALA A 24 -0.097 4.060 -8.398 1.00 0.29 N ATOM 353 CA ALA A 24 0.269 5.392 -7.935 1.00 0.31 C ATOM 354 C ALA A 24 1.549 5.337 -7.112 1.00 0.29 C ATOM 355 O ALA A 24 2.447 6.165 -7.271 1.00 0.31 O ATOM 356 CB ALA A 24 -0.862 5.994 -7.116 1.00 0.35 C ATOM 0 H ALA A 24 -0.980 3.712 -8.024 1.00 0.29 H new ATOM 0 HA ALA A 24 0.445 6.025 -8.804 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.575 6.989 -6.776 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.759 6.065 -7.731 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -1.063 5.360 -6.253 1.00 0.35 H new ATOM 362 N ILE A 25 1.620 4.351 -6.231 1.00 0.27 N ATOM 363 CA ILE A 25 2.799 4.139 -5.408 1.00 0.30 C ATOM 364 C ILE A 25 4.011 3.789 -6.271 1.00 0.30 C ATOM 365 O ILE A 25 5.106 4.313 -6.062 1.00 0.33 O ATOM 366 CB ILE A 25 2.562 3.022 -4.369 1.00 0.33 C ATOM 367 CG1 ILE A 25 1.423 3.413 -3.423 1.00 0.36 C ATOM 368 CG2 ILE A 25 3.835 2.739 -3.585 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.092 2.350 -2.398 1.00 1.05 C ATOM 0 H ILE A 25 0.869 3.681 -6.068 1.00 0.27 H new ATOM 0 HA ILE A 25 2.997 5.071 -4.879 1.00 0.30 H new ATOM 0 HB ILE A 25 2.279 2.111 -4.897 1.00 0.33 H new ATOM 0 HG12 ILE A 25 1.692 4.333 -2.905 1.00 0.36 H new ATOM 0 HG13 ILE A 25 0.531 3.628 -4.012 1.00 0.36 H new ATOM 0 HG21 ILE A 25 3.647 1.949 -2.858 1.00 0.39 H new ATOM 0 HG22 ILE A 25 4.621 2.422 -4.270 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.150 3.643 -3.064 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.277 2.698 -1.764 1.00 1.05 H new ATOM 0 HD12 ILE A 25 0.791 1.435 -2.907 1.00 1.05 H new ATOM 0 HD13 ILE A 25 1.970 2.151 -1.784 1.00 1.05 H new ATOM 381 N ALA A 26 3.801 2.922 -7.257 1.00 0.31 N ATOM 382 CA ALA A 26 4.879 2.488 -8.141 1.00 0.36 C ATOM 383 C ALA A 26 5.479 3.668 -8.897 1.00 0.38 C ATOM 384 O ALA A 26 6.696 3.751 -9.072 1.00 0.40 O ATOM 385 CB ALA A 26 4.377 1.433 -9.118 1.00 0.42 C ATOM 0 H ALA A 26 2.893 2.505 -7.464 1.00 0.31 H new ATOM 0 HA ALA A 26 5.662 2.048 -7.523 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.194 1.122 -9.769 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.006 0.571 -8.564 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.571 1.850 -9.722 1.00 0.42 H new ATOM 391 N ASP A 27 4.622 4.582 -9.334 1.00 0.40 N ATOM 392 CA ASP A 27 5.068 5.766 -10.062 1.00 0.47 C ATOM 393 C ASP A 27 5.797 6.723 -9.131 1.00 0.45 C ATOM 394 O ASP A 27 6.779 7.355 -9.519 1.00 0.48 O ATOM 395 CB ASP A 27 3.885 6.480 -10.716 1.00 0.56 C ATOM 396 CG ASP A 27 4.307 7.723 -11.477 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.791 7.590 -12.619 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.145 8.843 -10.944 1.00 0.80 O ATOM 0 H ASP A 27 3.613 4.527 -9.197 1.00 0.40 H new ATOM 0 HA ASP A 27 5.755 5.440 -10.843 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.382 5.794 -11.397 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.161 6.755 -9.949 1.00 0.56 H new ATOM 403 N LEU A 28 5.330 6.798 -7.894 1.00 0.42 N ATOM 404 CA LEU A 28 5.927 7.678 -6.903 1.00 0.46 C ATOM 405 C LEU A 28 7.336 7.205 -6.567 1.00 0.44 C ATOM 406 O LEU A 28 8.241 8.008 -6.346 1.00 0.49 O ATOM 407 CB LEU A 28 5.070 7.705 -5.633 1.00 0.49 C ATOM 408 CG LEU A 28 5.580 8.615 -4.514 1.00 0.90 C ATOM 409 CD1 LEU A 28 5.514 10.077 -4.935 1.00 1.69 C ATOM 410 CD2 LEU A 28 4.776 8.387 -3.242 1.00 1.44 C ATOM 0 H LEU A 28 4.536 6.257 -7.552 1.00 0.42 H new ATOM 0 HA LEU A 28 5.978 8.686 -7.315 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.062 8.020 -5.903 1.00 0.49 H new ATOM 0 HB3 LEU A 28 4.994 6.689 -5.245 1.00 0.49 H new ATOM 0 HG LEU A 28 6.623 8.367 -4.316 1.00 0.90 H new ATOM 0 HD11 LEU A 28 5.881 10.706 -4.124 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.131 10.229 -5.820 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.482 10.344 -5.162 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.149 9.041 -2.454 1.00 1.44 H new ATOM 0 HD22 LEU A 28 3.726 8.609 -3.431 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.877 7.348 -2.929 1.00 1.44 H new ATOM 422 N LEU A 29 7.513 5.892 -6.558 1.00 0.40 N ATOM 423 CA LEU A 29 8.803 5.290 -6.259 1.00 0.41 C ATOM 424 C LEU A 29 9.655 5.165 -7.519 1.00 0.44 C ATOM 425 O LEU A 29 10.666 4.464 -7.523 1.00 0.48 O ATOM 426 CB LEU A 29 8.597 3.909 -5.631 1.00 0.38 C ATOM 427 CG LEU A 29 7.725 3.890 -4.375 1.00 0.39 C ATOM 428 CD1 LEU A 29 7.461 2.461 -3.933 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.373 4.683 -3.251 1.00 0.49 C ATOM 0 H LEU A 29 6.773 5.219 -6.756 1.00 0.40 H new ATOM 0 HA LEU A 29 9.328 5.936 -5.555 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.148 3.252 -6.376 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.573 3.491 -5.383 1.00 0.38 H new ATOM 0 HG LEU A 29 6.772 4.361 -4.617 1.00 0.39 H new ATOM 0 HD11 LEU A 29 6.839 2.466 -3.038 1.00 0.41 H new ATOM 0 HD12 LEU A 29 6.947 1.923 -4.729 1.00 0.41 H new ATOM 0 HD13 LEU A 29 8.408 1.967 -3.714 1.00 0.41 H new ATOM 0 HD21 LEU A 29 7.733 4.654 -2.369 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.343 4.247 -3.010 1.00 0.49 H new ATOM 0 HD23 LEU A 29 8.509 5.717 -3.567 1.00 0.49 H new ATOM 441 N ASN A 30 9.221 5.830 -8.593 1.00 0.45 N ATOM 442 CA ASN A 30 9.952 5.844 -9.864 1.00 0.51 C ATOM 443 C ASN A 30 10.187 4.430 -10.385 1.00 0.49 C ATOM 444 O ASN A 30 11.184 4.163 -11.059 1.00 0.55 O ATOM 445 CB ASN A 30 11.291 6.581 -9.719 1.00 0.60 C ATOM 446 CG ASN A 30 11.128 8.080 -9.555 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.996 8.589 -8.441 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.143 8.804 -10.665 1.00 1.44 N ATOM 0 H ASN A 30 8.357 6.372 -8.607 1.00 0.45 H new ATOM 0 HA ASN A 30 9.336 6.377 -10.588 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.827 6.183 -8.857 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.906 6.382 -10.597 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.043 9.818 -10.614 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.254 8.347 -11.570 1.00 1.44 H new ATOM 455 N HIS A 31 9.261 3.531 -10.058 1.00 0.46 N ATOM 456 CA HIS A 31 9.320 2.131 -10.492 1.00 0.50 C ATOM 457 C HIS A 31 10.574 1.421 -9.975 1.00 0.55 C ATOM 458 O HIS A 31 10.983 0.397 -10.523 1.00 0.67 O ATOM 459 CB HIS A 31 9.252 2.031 -12.024 1.00 0.60 C ATOM 460 CG HIS A 31 7.984 2.572 -12.619 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.970 3.501 -13.638 1.00 1.25 N ATOM 462 CD2 HIS A 31 6.685 2.304 -12.342 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.722 3.783 -13.958 1.00 1.16 C ATOM 464 NE2 HIS A 31 5.926 3.072 -13.188 1.00 0.94 N ATOM 0 H HIS A 31 8.447 3.750 -9.484 1.00 0.46 H new ATOM 0 HA HIS A 31 8.453 1.629 -10.063 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.099 2.569 -12.450 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.360 0.986 -12.314 1.00 0.60 H new ATOM 0 HD2 HIS A 31 6.317 1.616 -11.596 1.00 1.11 H new ATOM 0 HE1 HIS A 31 6.407 4.479 -14.722 1.00 1.16 H new ATOM 0 HE2 HIS A 31 4.907 3.089 -13.216 1.00 0.94 H new ATOM 473 N ARG A 32 11.180 1.954 -8.917 1.00 0.53 N ATOM 474 CA ARG A 32 12.350 1.322 -8.312 1.00 0.61 C ATOM 475 C ARG A 32 11.924 0.152 -7.441 1.00 0.56 C ATOM 476 O ARG A 32 12.714 -0.750 -7.155 1.00 0.66 O ATOM 477 CB ARG A 32 13.146 2.328 -7.479 1.00 0.71 C ATOM 478 CG ARG A 32 13.875 3.374 -8.304 1.00 0.81 C ATOM 479 CD ARG A 32 14.638 4.337 -7.414 1.00 1.64 C ATOM 480 NE ARG A 32 15.438 5.287 -8.183 1.00 2.26 N ATOM 481 CZ ARG A 32 16.085 6.320 -7.646 1.00 3.24 C ATOM 482 NH1 ARG A 32 15.989 6.561 -6.346 1.00 3.73 N ATOM 483 NH2 ARG A 32 16.814 7.118 -8.414 1.00 4.08 N ATOM 0 H ARG A 32 10.883 2.817 -8.463 1.00 0.53 H new ATOM 0 HA ARG A 32 12.990 0.956 -9.115 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.467 2.831 -6.790 1.00 0.71 H new ATOM 0 HB3 ARG A 32 13.873 1.788 -6.872 1.00 0.71 H new ATOM 0 HG2 ARG A 32 14.565 2.884 -8.991 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.159 3.926 -8.912 1.00 0.81 H new ATOM 0 HD2 ARG A 32 13.934 4.883 -6.786 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.290 3.773 -6.747 1.00 1.64 H new ATOM 0 HE ARG A 32 15.505 5.151 -9.192 1.00 2.26 H new ATOM 0 HH11 ARG A 32 15.419 5.955 -5.756 1.00 3.73 H new ATOM 0 HH12 ARG A 32 16.485 7.352 -5.936 1.00 3.73 H new ATOM 0 HH21 ARG A 32 16.879 6.941 -9.416 1.00 4.08 H new ATOM 0 HH22 ARG A 32 17.309 7.909 -8.002 1.00 4.08 H new ATOM 497 N ALA A 33 10.673 0.180 -7.020 1.00 0.48 N ATOM 498 CA ALA A 33 10.097 -0.906 -6.257 1.00 0.45 C ATOM 499 C ALA A 33 8.965 -1.541 -7.046 1.00 0.43 C ATOM 500 O ALA A 33 8.262 -0.862 -7.798 1.00 0.49 O ATOM 501 CB ALA A 33 9.602 -0.407 -4.909 1.00 0.49 C ATOM 0 H ALA A 33 10.032 0.953 -7.197 1.00 0.48 H new ATOM 0 HA ALA A 33 10.864 -1.659 -6.075 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.172 -1.238 -4.349 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.436 0.015 -4.349 1.00 0.49 H new ATOM 0 HB3 ALA A 33 8.842 0.360 -5.061 1.00 0.49 H new ATOM 507 N HIS A 34 8.802 -2.837 -6.881 1.00 0.39 N ATOM 508 CA HIS A 34 7.778 -3.579 -7.594 1.00 0.41 C ATOM 509 C HIS A 34 6.608 -3.857 -6.663 1.00 0.36 C ATOM 510 O HIS A 34 6.792 -4.369 -5.562 1.00 0.34 O ATOM 511 CB HIS A 34 8.361 -4.892 -8.142 1.00 0.48 C ATOM 512 CG HIS A 34 7.355 -5.768 -8.830 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.081 -5.693 -10.178 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.558 -6.746 -8.343 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.157 -6.584 -10.486 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.822 -7.237 -9.389 1.00 0.80 N ATOM 0 H HIS A 34 9.371 -3.405 -6.253 1.00 0.39 H new ATOM 0 HA HIS A 34 7.422 -2.986 -8.437 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.162 -4.657 -8.843 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.810 -5.449 -7.320 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.510 -7.079 -7.317 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.745 -6.751 -11.470 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.130 -7.984 -9.330 1.00 0.80 H new ATOM 525 N THR A 35 5.411 -3.526 -7.107 1.00 0.38 N ATOM 526 CA THR A 35 4.230 -3.709 -6.290 1.00 0.36 C ATOM 527 C THR A 35 3.340 -4.804 -6.863 1.00 0.39 C ATOM 528 O THR A 35 3.269 -4.987 -8.079 1.00 0.45 O ATOM 529 CB THR A 35 3.433 -2.395 -6.170 1.00 0.41 C ATOM 530 OG1 THR A 35 3.101 -1.891 -7.474 1.00 0.49 O ATOM 531 CG2 THR A 35 4.242 -1.352 -5.417 1.00 0.41 C ATOM 0 H THR A 35 5.232 -3.129 -8.029 1.00 0.38 H new ATOM 0 HA THR A 35 4.559 -4.009 -5.295 1.00 0.36 H new ATOM 0 HB THR A 35 2.515 -2.602 -5.620 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.914 -1.570 -7.917 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.666 -0.430 -5.341 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.471 -1.721 -4.417 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.171 -1.156 -5.952 1.00 0.41 H new ATOM 539 N ASP A 36 2.683 -5.545 -5.986 1.00 0.38 N ATOM 540 CA ASP A 36 1.775 -6.603 -6.410 1.00 0.44 C ATOM 541 C ASP A 36 0.472 -6.496 -5.647 1.00 0.39 C ATOM 542 O ASP A 36 0.457 -6.085 -4.484 1.00 0.47 O ATOM 543 CB ASP A 36 2.375 -7.998 -6.185 1.00 0.56 C ATOM 544 CG ASP A 36 3.582 -8.289 -7.053 1.00 0.92 C ATOM 545 OD1 ASP A 36 3.485 -8.159 -8.291 1.00 1.07 O ATOM 546 OD2 ASP A 36 4.638 -8.667 -6.496 1.00 1.56 O ATOM 0 H ASP A 36 2.760 -5.435 -4.975 1.00 0.38 H new ATOM 0 HA ASP A 36 1.601 -6.476 -7.479 1.00 0.44 H new ATOM 0 HB2 ASP A 36 2.660 -8.097 -5.137 1.00 0.56 H new ATOM 0 HB3 ASP A 36 1.609 -8.749 -6.379 1.00 0.56 H new ATOM 551 N VAL A 37 -0.614 -6.884 -6.291 1.00 0.37 N ATOM 552 CA VAL A 37 -1.926 -6.795 -5.681 1.00 0.37 C ATOM 553 C VAL A 37 -2.352 -8.153 -5.139 1.00 0.36 C ATOM 554 O VAL A 37 -2.515 -9.115 -5.891 1.00 0.48 O ATOM 555 CB VAL A 37 -2.987 -6.283 -6.682 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.356 -6.192 -6.019 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.579 -4.932 -7.255 1.00 0.54 C ATOM 0 H VAL A 37 -0.612 -7.264 -7.238 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.856 -6.080 -4.862 1.00 0.37 H new ATOM 0 HB VAL A 37 -3.052 -6.998 -7.502 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -5.087 -5.830 -6.742 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.655 -7.178 -5.664 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.307 -5.503 -5.176 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.339 -4.590 -7.957 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.480 -4.208 -6.446 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.625 -5.030 -7.773 1.00 0.54 H new ATOM 567 N VAL A 38 -2.492 -8.232 -3.827 1.00 0.34 N ATOM 568 CA VAL A 38 -3.017 -9.421 -3.182 1.00 0.36 C ATOM 569 C VAL A 38 -4.504 -9.223 -2.939 1.00 0.42 C ATOM 570 O VAL A 38 -4.897 -8.519 -2.014 1.00 0.46 O ATOM 571 CB VAL A 38 -2.301 -9.697 -1.843 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.818 -10.970 -1.196 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.795 -9.775 -2.046 1.00 0.46 C ATOM 0 H VAL A 38 -2.247 -7.479 -3.184 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.847 -10.280 -3.831 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.518 -8.867 -1.171 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.295 -11.138 -0.255 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.887 -10.873 -1.005 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.644 -11.814 -1.863 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.309 -9.970 -1.090 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.563 -10.581 -2.742 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.433 -8.830 -2.451 1.00 0.46 H new ATOM 583 N GLY A 39 -5.323 -9.825 -3.781 1.00 0.58 N ATOM 584 CA GLY A 39 -6.736 -9.527 -3.755 1.00 0.74 C ATOM 585 C GLY A 39 -7.561 -10.566 -3.037 1.00 0.69 C ATOM 586 O GLY A 39 -7.054 -11.617 -2.639 1.00 0.84 O ATOM 0 H GLY A 39 -5.038 -10.512 -4.479 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.886 -8.561 -3.274 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -7.097 -9.433 -4.779 1.00 0.74 H new ATOM 590 N TYR A 40 -8.838 -10.260 -2.869 1.00 0.73 N ATOM 591 CA TYR A 40 -9.775 -11.171 -2.238 1.00 0.82 C ATOM 592 C TYR A 40 -10.144 -12.295 -3.198 1.00 1.19 C ATOM 593 O TYR A 40 -10.540 -12.041 -4.340 1.00 1.44 O ATOM 594 CB TYR A 40 -11.033 -10.411 -1.798 1.00 0.91 C ATOM 595 CG TYR A 40 -12.116 -11.297 -1.216 1.00 1.21 C ATOM 596 CD1 TYR A 40 -11.971 -11.866 0.047 1.00 1.29 C ATOM 597 CD2 TYR A 40 -13.283 -11.561 -1.924 1.00 1.66 C ATOM 598 CE1 TYR A 40 -12.958 -12.670 0.583 1.00 1.73 C ATOM 599 CE2 TYR A 40 -14.272 -12.365 -1.392 1.00 2.08 C ATOM 600 CZ TYR A 40 -14.104 -12.928 -0.156 1.00 2.09 C ATOM 601 OH TYR A 40 -15.088 -13.714 0.394 1.00 2.57 O ATOM 0 H TYR A 40 -9.251 -9.376 -3.166 1.00 0.73 H new ATOM 0 HA TYR A 40 -9.304 -11.607 -1.357 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -10.752 -9.663 -1.057 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -11.439 -9.874 -2.655 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -11.073 -11.676 0.616 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -13.418 -11.131 -2.905 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -12.839 -13.094 1.569 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -15.177 -12.549 -1.951 1.00 2.08 H new ATOM 0 HH TYR A 40 -15.828 -13.804 -0.242 1.00 2.57 H new ATOM 611 N GLY A 41 -9.992 -13.526 -2.741 1.00 1.45 N ATOM 612 CA GLY A 41 -10.352 -14.669 -3.550 1.00 1.91 C ATOM 613 C GLY A 41 -11.485 -15.458 -2.935 1.00 2.10 C ATOM 614 O GLY A 41 -12.606 -14.962 -2.826 1.00 2.74 O ATOM 0 H GLY A 41 -9.623 -13.755 -1.818 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -10.642 -14.333 -4.546 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -9.483 -15.316 -3.672 1.00 1.91 H new ATOM 618 N GLY A 42 -11.194 -16.679 -2.514 1.00 2.18 N ATOM 619 CA GLY A 42 -12.210 -17.518 -1.922 1.00 2.55 C ATOM 620 C GLY A 42 -12.274 -17.371 -0.416 1.00 2.43 C ATOM 621 O GLY A 42 -13.261 -16.871 0.124 1.00 2.95 O ATOM 0 H GLY A 42 -10.268 -17.104 -2.573 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -13.180 -17.267 -2.351 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -12.010 -18.559 -2.175 1.00 2.55 H new ATOM 625 N HIS A 43 -11.223 -17.806 0.271 1.00 2.38 N ATOM 626 CA HIS A 43 -11.195 -17.773 1.732 1.00 2.64 C ATOM 627 C HIS A 43 -9.796 -17.474 2.243 1.00 2.45 C ATOM 628 O HIS A 43 -8.807 -17.916 1.655 1.00 2.82 O ATOM 629 CB HIS A 43 -11.658 -19.109 2.330 1.00 3.41 C ATOM 630 CG HIS A 43 -13.085 -19.460 2.043 1.00 4.12 C ATOM 631 ND1 HIS A 43 -14.131 -19.078 2.853 1.00 4.78 N ATOM 632 CD2 HIS A 43 -13.639 -20.164 1.027 1.00 4.72 C ATOM 633 CE1 HIS A 43 -15.262 -19.529 2.350 1.00 5.56 C ATOM 634 NE2 HIS A 43 -14.992 -20.190 1.241 1.00 5.56 N ATOM 0 H HIS A 43 -10.379 -18.186 -0.158 1.00 2.38 H new ATOM 0 HA HIS A 43 -11.877 -16.982 2.043 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -11.018 -19.904 1.948 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -11.516 -19.077 3.410 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -13.112 -20.620 0.202 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -16.244 -19.382 2.774 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -15.679 -20.646 0.640 1.00 5.56 H new ATOM 643 N GLY A 44 -9.729 -16.717 3.333 1.00 2.45 N ATOM 644 CA GLY A 44 -8.465 -16.454 4.001 1.00 2.61 C ATOM 645 C GLY A 44 -7.462 -15.738 3.121 1.00 2.52 C ATOM 646 O GLY A 44 -6.264 -16.023 3.175 1.00 3.24 O ATOM 0 H GLY A 44 -10.538 -16.276 3.771 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -8.650 -15.854 4.892 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -8.036 -17.398 4.336 1.00 2.61 H new ATOM 650 N HIS A 45 -7.938 -14.804 2.314 1.00 2.13 N ATOM 651 CA HIS A 45 -7.067 -14.072 1.407 1.00 2.41 C ATOM 652 C HIS A 45 -7.408 -12.583 1.435 1.00 1.96 C ATOM 653 O HIS A 45 -8.051 -12.069 0.518 1.00 1.99 O ATOM 654 CB HIS A 45 -7.209 -14.622 -0.018 1.00 3.13 C ATOM 655 CG HIS A 45 -5.926 -14.629 -0.791 1.00 3.69 C ATOM 656 ND1 HIS A 45 -5.607 -13.686 -1.743 1.00 4.34 N ATOM 657 CD2 HIS A 45 -4.882 -15.492 -0.758 1.00 4.18 C ATOM 658 CE1 HIS A 45 -4.426 -13.969 -2.262 1.00 4.97 C ATOM 659 NE2 HIS A 45 -3.964 -15.059 -1.682 1.00 4.90 N ATOM 0 H HIS A 45 -8.921 -14.535 2.268 1.00 2.13 H new ATOM 0 HA HIS A 45 -6.034 -14.200 1.731 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -7.599 -15.639 0.032 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -7.944 -14.025 -0.557 1.00 3.13 H new ATOM 0 HD1 HIS A 45 -6.192 -12.893 -2.006 1.00 4.34 H new ATOM 0 HD2 HIS A 45 -4.789 -16.360 -0.122 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -3.923 -13.403 -3.032 1.00 4.97 H new ATOM 668 N PRO A 46 -6.989 -11.877 2.500 1.00 1.70 N ATOM 669 CA PRO A 46 -7.266 -10.444 2.670 1.00 1.42 C ATOM 670 C PRO A 46 -6.584 -9.599 1.599 1.00 1.09 C ATOM 671 O PRO A 46 -5.484 -9.925 1.143 1.00 1.09 O ATOM 672 CB PRO A 46 -6.689 -10.115 4.057 1.00 1.54 C ATOM 673 CG PRO A 46 -6.495 -11.436 4.726 1.00 1.86 C ATOM 674 CD PRO A 46 -6.210 -12.414 3.626 1.00 1.87 C ATOM 0 HA PRO A 46 -8.330 -10.226 2.582 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -5.746 -9.574 3.973 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -7.370 -9.482 4.626 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -5.670 -11.396 5.437 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -7.385 -11.725 5.285 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -5.146 -12.463 3.394 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.525 -13.423 3.891 1.00 1.87 H new ATOM 682 N THR A 47 -7.237 -8.514 1.207 1.00 0.89 N ATOM 683 CA THR A 47 -6.717 -7.644 0.167 1.00 0.62 C ATOM 684 C THR A 47 -5.683 -6.669 0.731 1.00 0.51 C ATOM 685 O THR A 47 -5.928 -6.004 1.740 1.00 0.59 O ATOM 686 CB THR A 47 -7.864 -6.865 -0.505 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.886 -7.785 -0.912 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.368 -6.079 -1.716 1.00 0.55 C ATOM 0 H THR A 47 -8.131 -8.216 1.597 1.00 0.89 H new ATOM 0 HA THR A 47 -6.227 -8.270 -0.579 1.00 0.62 H new ATOM 0 HB THR A 47 -8.265 -6.153 0.216 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.618 -7.293 -1.338 1.00 0.76 H new ATOM 0 HG21 THR A 47 -8.202 -5.541 -2.167 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.605 -5.367 -1.400 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.942 -6.767 -2.447 1.00 0.55 H new ATOM 696 N GLN A 48 -4.532 -6.598 0.073 1.00 0.40 N ATOM 697 CA GLN A 48 -3.437 -5.743 0.503 1.00 0.36 C ATOM 698 C GLN A 48 -2.442 -5.579 -0.637 1.00 0.33 C ATOM 699 O GLN A 48 -2.421 -6.388 -1.567 1.00 0.40 O ATOM 700 CB GLN A 48 -2.741 -6.345 1.730 1.00 0.36 C ATOM 701 CG GLN A 48 -1.985 -7.638 1.450 1.00 0.39 C ATOM 702 CD GLN A 48 -1.522 -8.328 2.720 1.00 0.49 C ATOM 703 OE1 GLN A 48 -2.189 -8.262 3.753 1.00 1.06 O ATOM 704 NE2 GLN A 48 -0.379 -8.992 2.660 1.00 1.04 N ATOM 0 H GLN A 48 -4.333 -7.132 -0.773 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.834 -4.766 0.777 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -2.044 -5.611 2.135 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.488 -6.534 2.501 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.626 -8.315 0.886 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.121 -7.421 0.823 1.00 0.39 H new ATOM 0 HE21 GLN A 48 0.147 -9.025 1.786 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -0.023 -9.471 3.487 1.00 1.04 H new ATOM 713 N VAL A 49 -1.626 -4.541 -0.579 1.00 0.29 N ATOM 714 CA VAL A 49 -0.625 -4.326 -1.608 1.00 0.29 C ATOM 715 C VAL A 49 0.775 -4.469 -1.025 1.00 0.28 C ATOM 716 O VAL A 49 1.120 -3.837 -0.022 1.00 0.30 O ATOM 717 CB VAL A 49 -0.791 -2.954 -2.304 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.655 -1.805 -1.316 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.213 -2.801 -3.437 1.00 0.36 C ATOM 0 H VAL A 49 -1.636 -3.840 0.162 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.770 -5.092 -2.370 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.798 -2.918 -2.721 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.777 -0.857 -1.841 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.421 -1.895 -0.546 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.331 -1.838 -0.853 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.079 -1.830 -3.913 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.225 -2.874 -3.039 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.055 -3.590 -4.172 1.00 0.36 H new ATOM 729 N ARG A 50 1.564 -5.342 -1.632 1.00 0.31 N ATOM 730 CA ARG A 50 2.928 -5.561 -1.184 1.00 0.30 C ATOM 731 C ARG A 50 3.899 -4.754 -2.033 1.00 0.27 C ATOM 732 O ARG A 50 3.811 -4.745 -3.264 1.00 0.30 O ATOM 733 CB ARG A 50 3.293 -7.054 -1.220 1.00 0.34 C ATOM 734 CG ARG A 50 3.361 -7.652 -2.617 1.00 0.39 C ATOM 735 CD ARG A 50 3.771 -9.116 -2.583 1.00 0.52 C ATOM 736 NE ARG A 50 3.964 -9.665 -3.928 1.00 1.34 N ATOM 737 CZ ARG A 50 3.822 -10.952 -4.239 1.00 1.60 C ATOM 738 NH1 ARG A 50 3.468 -11.835 -3.315 1.00 1.15 N ATOM 739 NH2 ARG A 50 4.030 -11.354 -5.484 1.00 2.62 N ATOM 0 H ARG A 50 1.284 -5.908 -2.433 1.00 0.31 H new ATOM 0 HA ARG A 50 3.002 -5.224 -0.150 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.258 -7.191 -0.732 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.559 -7.609 -0.636 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.389 -7.558 -3.101 1.00 0.39 H new ATOM 0 HG3 ARG A 50 4.073 -7.089 -3.220 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.694 -9.220 -2.013 1.00 0.52 H new ATOM 0 HD3 ARG A 50 3.008 -9.694 -2.062 1.00 0.52 H new ATOM 0 HE ARG A 50 4.224 -9.020 -4.674 1.00 1.34 H new ATOM 0 HH11 ARG A 50 3.302 -11.531 -2.356 1.00 1.15 H new ATOM 0 HH12 ARG A 50 3.362 -12.819 -3.564 1.00 1.15 H new ATOM 0 HH21 ARG A 50 4.298 -10.679 -6.200 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.922 -12.339 -5.727 1.00 2.62 H new ATOM 753 N ILE A 51 4.799 -4.054 -1.369 1.00 0.24 N ATOM 754 CA ILE A 51 5.824 -3.289 -2.049 1.00 0.23 C ATOM 755 C ILE A 51 7.179 -3.917 -1.773 1.00 0.24 C ATOM 756 O ILE A 51 7.640 -3.950 -0.630 1.00 0.27 O ATOM 757 CB ILE A 51 5.831 -1.818 -1.593 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.418 -1.235 -1.658 1.00 0.34 C ATOM 759 CG2 ILE A 51 6.782 -1.003 -2.461 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.315 0.175 -1.121 1.00 0.42 C ATOM 0 H ILE A 51 4.840 -4.000 -0.351 1.00 0.24 H new ATOM 0 HA ILE A 51 5.611 -3.304 -3.118 1.00 0.23 H new ATOM 0 HB ILE A 51 6.177 -1.773 -0.560 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.078 -1.245 -2.694 1.00 0.34 H new ATOM 0 HG13 ILE A 51 3.743 -1.879 -1.094 1.00 0.34 H new ATOM 0 HG21 ILE A 51 6.778 0.035 -2.129 1.00 0.31 H new ATOM 0 HG22 ILE A 51 7.790 -1.408 -2.375 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.459 -1.053 -3.501 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.284 0.520 -1.200 1.00 0.42 H new ATOM 0 HD12 ILE A 51 4.623 0.190 -0.076 1.00 0.42 H new ATOM 0 HD13 ILE A 51 4.963 0.833 -1.700 1.00 0.42 H new ATOM 772 N VAL A 52 7.798 -4.436 -2.815 1.00 0.24 N ATOM 773 CA VAL A 52 9.049 -5.158 -2.678 1.00 0.30 C ATOM 774 C VAL A 52 10.131 -4.518 -3.536 1.00 0.34 C ATOM 775 O VAL A 52 9.859 -4.028 -4.633 1.00 0.33 O ATOM 776 CB VAL A 52 8.877 -6.644 -3.083 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.157 -7.440 -2.858 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.716 -7.274 -2.328 1.00 0.38 C ATOM 0 H VAL A 52 7.453 -4.371 -3.773 1.00 0.24 H new ATOM 0 HA VAL A 52 9.348 -5.112 -1.631 1.00 0.30 H new ATOM 0 HB VAL A 52 8.656 -6.670 -4.150 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.997 -8.477 -3.153 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.961 -7.012 -3.456 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.429 -7.401 -1.803 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.611 -8.317 -2.626 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.907 -7.220 -1.256 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.797 -6.736 -2.560 1.00 0.38 H new ATOM 788 N ALA A 53 11.352 -4.520 -3.030 1.00 0.42 N ATOM 789 CA ALA A 53 12.488 -4.005 -3.771 1.00 0.53 C ATOM 790 C ALA A 53 13.448 -5.146 -4.092 1.00 0.73 C ATOM 791 O ALA A 53 14.275 -5.525 -3.258 1.00 0.93 O ATOM 792 CB ALA A 53 13.195 -2.914 -2.980 1.00 0.70 C ATOM 0 H ALA A 53 11.582 -4.876 -2.102 1.00 0.42 H new ATOM 0 HA ALA A 53 12.134 -3.566 -4.704 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.044 -2.541 -3.553 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.500 -2.096 -2.787 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.548 -3.322 -2.033 1.00 0.70 H new ATOM 798 N PRO A 54 13.322 -5.735 -5.288 1.00 0.85 N ATOM 799 CA PRO A 54 14.149 -6.865 -5.694 1.00 1.12 C ATOM 800 C PRO A 54 15.515 -6.430 -6.216 1.00 1.33 C ATOM 801 O PRO A 54 15.704 -5.275 -6.609 1.00 1.67 O ATOM 802 CB PRO A 54 13.325 -7.504 -6.812 1.00 1.38 C ATOM 803 CG PRO A 54 12.589 -6.366 -7.435 1.00 1.38 C ATOM 804 CD PRO A 54 12.361 -5.350 -6.341 1.00 0.90 C ATOM 0 HA PRO A 54 14.369 -7.536 -4.864 1.00 1.12 H new ATOM 0 HB2 PRO A 54 13.964 -8.007 -7.537 1.00 1.38 H new ATOM 0 HB3 PRO A 54 12.638 -8.253 -6.419 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.165 -5.933 -8.252 1.00 1.38 H new ATOM 0 HG3 PRO A 54 11.641 -6.701 -7.856 1.00 1.38 H new ATOM 0 HD2 PRO A 54 12.543 -4.335 -6.695 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.335 -5.381 -5.975 1.00 0.90 H new ATOM 812 N HIS A 55 16.458 -7.373 -6.209 1.00 1.70 N ATOM 813 CA HIS A 55 17.812 -7.156 -6.727 1.00 2.07 C ATOM 814 C HIS A 55 18.580 -6.179 -5.843 1.00 2.00 C ATOM 815 O HIS A 55 19.527 -5.532 -6.292 1.00 2.68 O ATOM 816 CB HIS A 55 17.780 -6.646 -8.176 1.00 3.16 C ATOM 817 CG HIS A 55 16.921 -7.467 -9.087 1.00 3.95 C ATOM 818 ND1 HIS A 55 15.792 -6.970 -9.705 1.00 4.65 N ATOM 819 CD2 HIS A 55 17.019 -8.757 -9.477 1.00 4.64 C ATOM 820 CE1 HIS A 55 15.235 -7.920 -10.429 1.00 5.54 C ATOM 821 NE2 HIS A 55 15.960 -9.012 -10.308 1.00 5.53 N ATOM 0 H HIS A 55 16.305 -8.313 -5.843 1.00 1.70 H new ATOM 0 HA HIS A 55 18.326 -8.117 -6.715 1.00 2.07 H new ATOM 0 HB2 HIS A 55 17.420 -5.617 -8.181 1.00 3.16 H new ATOM 0 HB3 HIS A 55 18.797 -6.629 -8.568 1.00 3.16 H new ATOM 0 HD2 HIS A 55 17.789 -9.457 -9.188 1.00 4.64 H new ATOM 0 HE1 HIS A 55 14.337 -7.820 -11.021 1.00 5.54 H new ATOM 0 HE2 HIS A 55 15.765 -9.905 -10.760 1.00 5.53 H new ATOM 830 N ALA A 56 18.176 -6.091 -4.585 1.00 2.11 N ATOM 831 CA ALA A 56 18.827 -5.205 -3.637 1.00 2.93 C ATOM 832 C ALA A 56 20.138 -5.815 -3.164 1.00 3.03 C ATOM 833 O ALA A 56 20.163 -6.943 -2.654 1.00 3.40 O ATOM 834 CB ALA A 56 17.915 -4.922 -2.455 1.00 3.83 C ATOM 0 H ALA A 56 17.398 -6.625 -4.198 1.00 2.11 H new ATOM 0 HA ALA A 56 19.041 -4.260 -4.136 1.00 2.93 H new ATOM 0 HB1 ALA A 56 18.421 -4.256 -1.756 1.00 3.83 H new ATOM 0 HB2 ALA A 56 16.999 -4.449 -2.808 1.00 3.83 H new ATOM 0 HB3 ALA A 56 17.670 -5.858 -1.952 1.00 3.83 H new ATOM 840 N GLU A 57 21.227 -5.084 -3.347 1.00 3.26 N ATOM 841 CA GLU A 57 22.540 -5.578 -2.978 1.00 3.76 C ATOM 842 C GLU A 57 22.662 -5.622 -1.457 1.00 3.61 C ATOM 843 O GLU A 57 22.465 -4.614 -0.779 1.00 3.99 O ATOM 844 CB GLU A 57 23.629 -4.691 -3.583 1.00 4.58 C ATOM 845 CG GLU A 57 24.995 -5.355 -3.640 1.00 5.31 C ATOM 846 CD GLU A 57 24.998 -6.587 -4.523 1.00 5.69 C ATOM 847 OE1 GLU A 57 24.690 -7.686 -4.021 1.00 5.97 O ATOM 848 OE2 GLU A 57 25.297 -6.461 -5.727 1.00 6.04 O ATOM 0 H GLU A 57 21.225 -4.147 -3.749 1.00 3.26 H new ATOM 0 HA GLU A 57 22.668 -6.587 -3.370 1.00 3.76 H new ATOM 0 HB2 GLU A 57 23.332 -4.403 -4.592 1.00 4.58 H new ATOM 0 HB3 GLU A 57 23.705 -3.774 -2.999 1.00 4.58 H new ATOM 0 HG2 GLU A 57 25.729 -4.641 -4.014 1.00 5.31 H new ATOM 0 HG3 GLU A 57 25.305 -5.632 -2.632 1.00 5.31 H new ATOM 855 N HIS A 58 22.969 -6.795 -0.929 1.00 3.56 N ATOM 856 CA HIS A 58 23.021 -6.994 0.513 1.00 3.76 C ATOM 857 C HIS A 58 24.385 -7.527 0.940 1.00 3.57 C ATOM 858 O HIS A 58 24.482 -8.437 1.765 1.00 4.09 O ATOM 859 CB HIS A 58 21.889 -7.933 0.972 1.00 4.54 C ATOM 860 CG HIS A 58 21.776 -9.216 0.194 1.00 5.13 C ATOM 861 ND1 HIS A 58 21.009 -9.336 -0.947 1.00 5.69 N ATOM 862 CD2 HIS A 58 22.318 -10.441 0.408 1.00 5.69 C ATOM 863 CE1 HIS A 58 21.084 -10.575 -1.398 1.00 6.45 C ATOM 864 NE2 HIS A 58 21.871 -11.264 -0.596 1.00 6.46 N ATOM 0 H HIS A 58 23.187 -7.627 -1.477 1.00 3.56 H new ATOM 0 HA HIS A 58 22.876 -6.028 0.997 1.00 3.76 H new ATOM 0 HB2 HIS A 58 22.041 -8.175 2.024 1.00 4.54 H new ATOM 0 HB3 HIS A 58 20.942 -7.398 0.902 1.00 4.54 H new ATOM 0 HD1 HIS A 58 20.468 -8.585 -1.375 1.00 5.69 H new ATOM 0 HD2 HIS A 58 22.978 -10.717 1.217 1.00 5.69 H new ATOM 0 HE1 HIS A 58 20.585 -10.959 -2.276 1.00 6.45 H new ATOM 873 N VAL A 59 25.437 -6.949 0.370 1.00 3.30 N ATOM 874 CA VAL A 59 26.800 -7.344 0.704 1.00 3.48 C ATOM 875 C VAL A 59 27.259 -6.657 1.987 1.00 2.89 C ATOM 876 O VAL A 59 27.746 -7.307 2.914 1.00 3.24 O ATOM 877 CB VAL A 59 27.791 -7.008 -0.435 1.00 4.38 C ATOM 878 CG1 VAL A 59 29.205 -7.421 -0.055 1.00 5.11 C ATOM 879 CG2 VAL A 59 27.372 -7.683 -1.729 1.00 5.10 C ATOM 0 H VAL A 59 25.372 -6.206 -0.325 1.00 3.30 H new ATOM 0 HA VAL A 59 26.792 -8.424 0.848 1.00 3.48 H new ATOM 0 HB VAL A 59 27.776 -5.929 -0.590 1.00 4.38 H new ATOM 0 HG11 VAL A 59 29.887 -7.176 -0.869 1.00 5.11 H new ATOM 0 HG12 VAL A 59 29.510 -6.889 0.846 1.00 5.11 H new ATOM 0 HG13 VAL A 59 29.233 -8.495 0.131 1.00 5.11 H new ATOM 0 HG21 VAL A 59 28.083 -7.433 -2.517 1.00 5.10 H new ATOM 0 HG22 VAL A 59 27.354 -8.763 -1.586 1.00 5.10 H new ATOM 0 HG23 VAL A 59 26.378 -7.338 -2.014 1.00 5.10 H new ATOM 889 N ARG A 60 27.082 -5.347 2.040 1.00 2.60 N ATOM 890 CA ARG A 60 27.516 -4.562 3.184 1.00 2.50 C ATOM 891 C ARG A 60 26.497 -3.470 3.485 1.00 2.31 C ATOM 892 O ARG A 60 25.753 -3.044 2.597 1.00 2.94 O ATOM 893 CB ARG A 60 28.905 -3.952 2.925 1.00 3.03 C ATOM 894 CG ARG A 60 28.965 -3.030 1.715 1.00 3.53 C ATOM 895 CD ARG A 60 30.374 -2.497 1.491 1.00 4.11 C ATOM 896 NE ARG A 60 31.335 -3.577 1.276 1.00 4.48 N ATOM 897 CZ ARG A 60 32.540 -3.631 1.837 1.00 5.30 C ATOM 898 NH1 ARG A 60 32.945 -2.663 2.645 1.00 5.79 N ATOM 899 NH2 ARG A 60 33.341 -4.658 1.585 1.00 5.97 N ATOM 0 H ARG A 60 26.639 -4.803 1.300 1.00 2.60 H new ATOM 0 HA ARG A 60 27.590 -5.218 4.051 1.00 2.50 H new ATOM 0 HB2 ARG A 60 29.215 -3.394 3.809 1.00 3.03 H new ATOM 0 HB3 ARG A 60 29.625 -4.759 2.789 1.00 3.03 H new ATOM 0 HG2 ARG A 60 28.633 -3.570 0.828 1.00 3.53 H new ATOM 0 HG3 ARG A 60 28.277 -2.196 1.857 1.00 3.53 H new ATOM 0 HD2 ARG A 60 30.378 -1.830 0.629 1.00 4.11 H new ATOM 0 HD3 ARG A 60 30.680 -1.905 2.353 1.00 4.11 H new ATOM 0 HE ARG A 60 31.064 -4.339 0.655 1.00 4.48 H new ATOM 0 HH11 ARG A 60 32.332 -1.871 2.840 1.00 5.79 H new ATOM 0 HH12 ARG A 60 33.870 -2.709 3.073 1.00 5.79 H new ATOM 0 HH21 ARG A 60 33.033 -5.404 0.962 1.00 5.97 H new ATOM 0 HH22 ARG A 60 34.265 -4.701 2.014 1.00 5.97 H new ATOM 913 N GLY A 61 26.455 -3.035 4.736 1.00 1.94 N ATOM 914 CA GLY A 61 25.490 -2.036 5.141 1.00 1.93 C ATOM 915 C GLY A 61 24.274 -2.680 5.765 1.00 1.61 C ATOM 916 O GLY A 61 24.372 -3.301 6.824 1.00 1.76 O ATOM 0 H GLY A 61 27.074 -3.358 5.479 1.00 1.94 H new ATOM 0 HA2 GLY A 61 25.948 -1.350 5.853 1.00 1.93 H new ATOM 0 HA3 GLY A 61 25.189 -1.444 4.277 1.00 1.93 H new ATOM 920 N TYR A 62 23.127 -2.544 5.124 1.00 1.30 N ATOM 921 CA TYR A 62 21.936 -3.235 5.578 1.00 1.07 C ATOM 922 C TYR A 62 21.660 -4.412 4.652 1.00 0.90 C ATOM 923 O TYR A 62 21.512 -4.239 3.443 1.00 0.91 O ATOM 924 CB TYR A 62 20.732 -2.285 5.625 1.00 1.04 C ATOM 925 CG TYR A 62 20.982 -1.038 6.452 1.00 1.31 C ATOM 926 CD1 TYR A 62 21.170 -1.119 7.828 1.00 1.54 C ATOM 927 CD2 TYR A 62 21.024 0.219 5.858 1.00 1.51 C ATOM 928 CE1 TYR A 62 21.392 0.017 8.585 1.00 1.83 C ATOM 929 CE2 TYR A 62 21.244 1.356 6.610 1.00 1.79 C ATOM 930 CZ TYR A 62 21.453 1.247 7.970 1.00 1.91 C ATOM 931 OH TYR A 62 21.644 2.387 8.720 1.00 2.22 O ATOM 0 H TYR A 62 22.996 -1.966 4.294 1.00 1.30 H new ATOM 0 HA TYR A 62 22.100 -3.602 6.591 1.00 1.07 H new ATOM 0 HB2 TYR A 62 20.470 -1.992 4.608 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.874 -2.818 6.034 1.00 1.04 H new ATOM 0 HD1 TYR A 62 21.142 -2.084 8.313 1.00 1.54 H new ATOM 0 HD2 TYR A 62 20.882 0.307 4.791 1.00 1.51 H new ATOM 0 HE1 TYR A 62 21.517 -0.061 9.655 1.00 1.83 H new ATOM 0 HE2 TYR A 62 21.253 2.326 6.136 1.00 1.79 H new ATOM 0 HH TYR A 62 21.663 3.168 8.129 1.00 2.22 H new ATOM 941 N ALA A 63 21.590 -5.605 5.221 1.00 0.92 N ATOM 942 CA ALA A 63 21.417 -6.815 4.432 1.00 0.91 C ATOM 943 C ALA A 63 19.957 -7.242 4.392 1.00 0.78 C ATOM 944 O ALA A 63 19.643 -8.395 4.100 1.00 0.94 O ATOM 945 CB ALA A 63 22.283 -7.933 4.991 1.00 1.16 C ATOM 0 H ALA A 63 21.650 -5.762 6.227 1.00 0.92 H new ATOM 0 HA ALA A 63 21.730 -6.602 3.410 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.145 -8.834 4.393 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.330 -7.633 4.959 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.995 -8.135 6.023 1.00 1.16 H new ATOM 951 N HIS A 64 19.071 -6.304 4.676 1.00 0.60 N ATOM 952 CA HIS A 64 17.645 -6.591 4.712 1.00 0.51 C ATOM 953 C HIS A 64 16.959 -5.996 3.493 1.00 0.47 C ATOM 954 O HIS A 64 16.879 -4.774 3.356 1.00 0.48 O ATOM 955 CB HIS A 64 17.007 -6.031 5.988 1.00 0.54 C ATOM 956 CG HIS A 64 17.560 -6.612 7.252 1.00 0.73 C ATOM 957 ND1 HIS A 64 17.057 -7.751 7.842 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.583 -6.202 8.041 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.745 -8.016 8.940 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.674 -7.092 9.081 1.00 1.10 N ATOM 0 H HIS A 64 19.313 -5.335 4.886 1.00 0.60 H new ATOM 0 HA HIS A 64 17.517 -7.673 4.705 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.145 -4.950 6.007 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.933 -6.215 5.955 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.209 -5.337 7.881 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.575 -8.848 9.607 1.00 1.13 H new ATOM 0 HE2 HIS A 64 19.352 -7.046 9.842 1.00 1.10 H new ATOM 969 N PRO A 65 16.483 -6.855 2.579 1.00 0.58 N ATOM 970 CA PRO A 65 15.737 -6.419 1.397 1.00 0.64 C ATOM 971 C PRO A 65 14.448 -5.703 1.785 1.00 0.53 C ATOM 972 O PRO A 65 13.729 -6.148 2.681 1.00 0.54 O ATOM 973 CB PRO A 65 15.424 -7.726 0.658 1.00 0.84 C ATOM 974 CG PRO A 65 16.391 -8.721 1.200 1.00 1.08 C ATOM 975 CD PRO A 65 16.633 -8.318 2.623 1.00 0.77 C ATOM 0 HA PRO A 65 16.301 -5.709 0.792 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.395 -8.041 0.833 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.542 -7.608 -0.419 1.00 0.84 H new ATOM 0 HG2 PRO A 65 15.986 -9.732 1.143 1.00 1.08 H new ATOM 0 HG3 PRO A 65 17.319 -8.716 0.629 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.914 -8.778 3.301 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.626 -8.613 2.963 1.00 0.77 H new ATOM 983 N LEU A 66 14.163 -4.596 1.119 1.00 0.50 N ATOM 984 CA LEU A 66 12.996 -3.792 1.446 1.00 0.44 C ATOM 985 C LEU A 66 11.716 -4.540 1.093 1.00 0.35 C ATOM 986 O LEU A 66 11.496 -4.903 -0.065 1.00 0.37 O ATOM 987 CB LEU A 66 13.064 -2.448 0.707 1.00 0.52 C ATOM 988 CG LEU A 66 12.091 -1.358 1.178 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.573 0.004 0.707 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.681 -1.609 0.657 1.00 1.05 C ATOM 0 H LEU A 66 14.724 -4.233 0.348 1.00 0.50 H new ATOM 0 HA LEU A 66 12.988 -3.600 2.519 1.00 0.44 H new ATOM 0 HB2 LEU A 66 14.079 -2.061 0.796 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.884 -2.631 -0.352 1.00 0.52 H new ATOM 0 HG LEU A 66 12.062 -1.382 2.267 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.878 0.773 1.045 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.562 0.203 1.120 1.00 1.20 H new ATOM 0 HD13 LEU A 66 12.625 0.015 -0.382 1.00 1.20 H new ATOM 0 HD21 LEU A 66 10.017 -0.819 1.009 1.00 1.05 H new ATOM 0 HD22 LEU A 66 10.692 -1.616 -0.433 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.324 -2.572 1.022 1.00 1.05 H new ATOM 1002 N ASN A 67 10.895 -4.786 2.100 1.00 0.32 N ATOM 1003 CA ASN A 67 9.590 -5.398 1.904 1.00 0.31 C ATOM 1004 C ASN A 67 8.578 -4.698 2.794 1.00 0.30 C ATOM 1005 O ASN A 67 8.867 -4.418 3.961 1.00 0.40 O ATOM 1006 CB ASN A 67 9.633 -6.897 2.223 1.00 0.42 C ATOM 1007 CG ASN A 67 8.318 -7.596 1.914 1.00 0.51 C ATOM 1008 OD1 ASN A 67 7.426 -7.661 2.890 1.00 0.63 O flip ATOM 1009 ND2 ASN A 67 8.106 -8.074 0.802 1.00 0.54 N flip ATOM 0 H ASN A 67 11.112 -4.569 3.073 1.00 0.32 H new ATOM 0 HA ASN A 67 9.299 -5.290 0.859 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.433 -7.365 1.649 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.875 -7.034 3.277 1.00 0.42 H new ATOM 0 HD21 ASN A 67 8.817 -8.005 0.073 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.219 -8.539 0.608 1.00 0.54 H new ATOM 1016 N LEU A 68 7.389 -4.448 2.270 1.00 0.26 N ATOM 1017 CA LEU A 68 6.413 -3.625 2.960 1.00 0.24 C ATOM 1018 C LEU A 68 5.011 -4.131 2.652 1.00 0.23 C ATOM 1019 O LEU A 68 4.661 -4.344 1.493 1.00 0.25 O ATOM 1020 CB LEU A 68 6.561 -2.154 2.540 1.00 0.26 C ATOM 1021 CG LEU A 68 5.424 -1.215 2.966 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.284 -1.173 4.478 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.668 0.185 2.427 1.00 0.32 C ATOM 0 H LEU A 68 7.077 -4.805 1.367 1.00 0.26 H new ATOM 0 HA LEU A 68 6.585 -3.690 4.034 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.495 -1.771 2.952 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.651 -2.114 1.454 1.00 0.26 H new ATOM 0 HG LEU A 68 4.494 -1.602 2.549 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.471 -0.500 4.750 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.067 -2.174 4.851 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.214 -0.815 4.920 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.854 0.841 2.736 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.611 0.567 2.819 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.714 0.153 1.338 1.00 0.32 H new ATOM 1035 N ALA A 69 4.226 -4.343 3.691 1.00 0.24 N ATOM 1036 CA ALA A 69 2.850 -4.776 3.520 1.00 0.25 C ATOM 1037 C ALA A 69 1.885 -3.704 3.998 1.00 0.24 C ATOM 1038 O ALA A 69 1.775 -3.443 5.194 1.00 0.28 O ATOM 1039 CB ALA A 69 2.602 -6.076 4.264 1.00 0.30 C ATOM 0 H ALA A 69 4.516 -4.223 4.662 1.00 0.24 H new ATOM 0 HA ALA A 69 2.678 -4.946 2.457 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.566 -6.384 4.124 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.266 -6.849 3.877 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.796 -5.930 5.327 1.00 0.30 H new ATOM 1045 N LEU A 70 1.205 -3.076 3.054 1.00 0.22 N ATOM 1046 CA LEU A 70 0.245 -2.032 3.369 1.00 0.22 C ATOM 1047 C LEU A 70 -1.155 -2.613 3.460 1.00 0.23 C ATOM 1048 O LEU A 70 -1.683 -3.133 2.473 1.00 0.28 O ATOM 1049 CB LEU A 70 0.272 -0.937 2.298 1.00 0.23 C ATOM 1050 CG LEU A 70 1.568 -0.127 2.201 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.508 0.809 1.010 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.808 0.663 3.477 1.00 0.25 C ATOM 0 H LEU A 70 1.301 -3.272 2.058 1.00 0.22 H new ATOM 0 HA LEU A 70 0.519 -1.598 4.331 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.082 -1.399 1.329 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.551 -0.248 2.490 1.00 0.23 H new ATOM 0 HG LEU A 70 2.398 -0.821 2.067 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.434 1.381 0.949 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.380 0.228 0.097 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.667 1.492 1.126 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.734 1.230 3.385 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.977 1.349 3.642 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.885 -0.023 4.321 1.00 0.25 H new ATOM 1064 N THR A 71 -1.753 -2.536 4.638 1.00 0.21 N ATOM 1065 CA THR A 71 -3.124 -2.976 4.817 1.00 0.23 C ATOM 1066 C THR A 71 -3.948 -1.834 5.400 1.00 0.22 C ATOM 1067 O THR A 71 -3.428 -1.014 6.159 1.00 0.21 O ATOM 1068 CB THR A 71 -3.203 -4.206 5.749 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.634 -3.896 7.027 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.463 -5.395 5.155 1.00 0.52 C ATOM 0 H THR A 71 -1.310 -2.173 5.482 1.00 0.21 H new ATOM 0 HA THR A 71 -3.522 -3.265 3.844 1.00 0.23 H new ATOM 0 HB THR A 71 -4.255 -4.466 5.864 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.742 -3.510 6.903 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.536 -6.245 5.833 1.00 0.52 H new ATOM 0 HG22 THR A 71 -2.907 -5.658 4.195 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.414 -5.136 5.010 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.227 -1.787 5.065 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.075 -0.685 5.488 1.00 0.27 C ATOM 1080 C TRP A 72 -7.304 -1.191 6.223 1.00 0.28 C ATOM 1081 O TRP A 72 -7.782 -2.301 5.978 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.489 0.170 4.285 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.360 0.984 3.720 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.926 2.201 4.165 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.528 0.645 2.605 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.873 2.636 3.399 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.612 1.701 2.434 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.466 -0.447 1.736 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.648 1.695 1.431 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.507 -0.451 0.740 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.611 0.615 0.596 1.00 0.31 C ATOM 0 H TRP A 72 -5.699 -2.496 4.504 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.499 -0.065 6.175 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.885 -0.480 3.505 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.296 0.839 4.584 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.350 2.742 4.998 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.368 3.513 3.528 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.154 -1.273 1.840 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.954 2.515 1.317 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.448 -1.290 0.062 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.874 0.583 -0.193 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.789 -0.362 7.136 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.948 -0.679 7.956 1.00 0.35 C ATOM 1104 C ASN A 73 -10.183 -0.909 7.098 1.00 0.31 C ATOM 1105 O ASN A 73 -10.433 -0.191 6.127 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.199 0.456 8.951 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.191 0.460 10.084 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.718 -0.594 10.510 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.835 1.640 10.569 1.00 0.94 N ATOM 0 H ASN A 73 -7.387 0.555 7.329 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.744 -1.601 8.500 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.158 1.411 8.427 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.204 0.361 9.362 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.148 1.696 11.320 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.248 2.492 10.191 1.00 0.94 H new ATOM 1116 N THR A 74 -10.953 -1.920 7.486 1.00 0.36 N ATOM 1117 CA THR A 74 -12.137 -2.348 6.751 1.00 0.38 C ATOM 1118 C THR A 74 -13.162 -1.218 6.633 1.00 0.37 C ATOM 1119 O THR A 74 -13.940 -1.173 5.677 1.00 0.38 O ATOM 1120 CB THR A 74 -12.786 -3.558 7.453 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.763 -4.388 8.028 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.611 -4.385 6.477 1.00 0.71 C ATOM 0 H THR A 74 -10.771 -2.469 8.326 1.00 0.36 H new ATOM 0 HA THR A 74 -11.820 -2.630 5.747 1.00 0.38 H new ATOM 0 HB THR A 74 -13.448 -3.181 8.233 1.00 0.50 H new ATOM 0 HG1 THR A 74 -12.177 -5.155 8.475 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.056 -5.231 7.002 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.401 -3.766 6.052 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.968 -4.752 5.677 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.156 -0.311 7.608 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.035 0.856 7.576 1.00 0.45 C ATOM 1132 C ASP A 75 -13.683 1.730 6.390 1.00 0.40 C ATOM 1133 O ASP A 75 -14.553 2.139 5.627 1.00 0.44 O ATOM 1134 CB ASP A 75 -13.916 1.683 8.863 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.493 0.988 10.077 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.728 1.005 10.249 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -13.713 0.411 10.865 1.00 1.98 O ATOM 0 H ASP A 75 -12.553 -0.362 8.429 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.061 0.499 7.489 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -12.865 1.907 9.047 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.425 2.636 8.722 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.389 1.987 6.239 1.00 0.39 N ATOM 1143 CA GLU A 76 -11.878 2.815 5.156 1.00 0.44 C ATOM 1144 C GLU A 76 -12.291 2.250 3.809 1.00 0.38 C ATOM 1145 O GLU A 76 -12.778 2.977 2.946 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.357 2.893 5.220 1.00 0.53 C ATOM 1147 CG GLU A 76 -9.821 3.439 6.529 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.295 4.848 6.818 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -9.646 5.803 6.342 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -11.327 5.007 7.501 1.00 1.57 O ATOM 0 H GLU A 76 -11.667 1.628 6.863 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.299 3.814 5.270 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -9.945 1.897 5.058 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.001 3.521 4.403 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.129 2.783 7.344 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -8.731 3.426 6.503 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.100 0.948 3.643 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.440 0.271 2.397 1.00 0.34 C ATOM 1159 C ILE A 77 -13.907 0.491 2.019 1.00 0.34 C ATOM 1160 O ILE A 77 -14.211 0.829 0.874 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.151 -1.246 2.506 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.664 -1.485 2.819 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.550 -1.965 1.224 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.283 -2.952 2.897 1.00 0.40 C ATOM 0 H ILE A 77 -11.709 0.336 4.359 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.817 0.701 1.613 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.748 -1.652 3.323 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.059 -1.002 2.052 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.420 -1.005 3.767 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.338 -3.030 1.323 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.615 -1.822 1.043 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.982 -1.558 0.387 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.220 -3.040 3.121 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.861 -3.437 3.684 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.494 -3.434 1.942 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.807 0.337 2.981 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.230 0.536 2.724 1.00 0.37 C ATOM 1178 C GLU A 78 -16.525 2.004 2.422 1.00 0.38 C ATOM 1179 O GLU A 78 -17.348 2.325 1.560 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.056 0.063 3.923 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.554 0.253 3.749 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.350 -0.314 4.902 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.377 0.316 5.980 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.958 -1.392 4.734 1.00 2.15 O ATOM 0 H GLU A 78 -14.581 0.077 3.941 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.508 -0.055 1.851 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.851 -0.993 4.100 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.731 0.604 4.812 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.772 1.316 3.650 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.872 -0.226 2.823 1.00 0.64 H new ATOM 1191 N ARG A 79 -15.829 2.886 3.127 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.002 4.325 2.971 1.00 0.45 C ATOM 1193 C ARG A 79 -15.610 4.793 1.573 1.00 0.42 C ATOM 1194 O ARG A 79 -16.139 5.785 1.080 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.188 5.076 4.029 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.763 4.952 5.432 1.00 1.06 C ATOM 1197 CD ARG A 79 -14.846 5.557 6.485 1.00 1.60 C ATOM 1198 NE ARG A 79 -15.474 5.544 7.806 1.00 2.14 N ATOM 1199 CZ ARG A 79 -14.814 5.572 8.963 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -13.485 5.585 8.985 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -15.490 5.575 10.107 1.00 3.96 N ATOM 0 H ARG A 79 -15.130 2.625 3.822 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.060 4.547 3.109 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -14.166 4.696 4.028 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -15.137 6.130 3.757 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -16.733 5.447 5.470 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -15.933 3.900 5.662 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -13.910 4.999 6.519 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -14.597 6.581 6.208 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.493 5.511 7.844 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -12.960 5.574 8.110 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -12.990 5.606 9.877 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -16.510 5.556 10.097 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -14.989 5.596 10.995 1.00 3.96 H new ATOM 1215 N LEU A 80 -14.689 4.076 0.938 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.205 4.452 -0.389 1.00 0.44 C ATOM 1217 C LEU A 80 -15.306 4.351 -1.446 1.00 0.47 C ATOM 1218 O LEU A 80 -15.198 4.938 -2.522 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.011 3.586 -0.794 1.00 0.48 C ATOM 1220 CG LEU A 80 -11.768 3.732 0.090 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.630 2.888 -0.454 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.340 5.191 0.200 1.00 0.55 C ATOM 0 H LEU A 80 -14.262 3.232 1.319 1.00 0.40 H new ATOM 0 HA LEU A 80 -13.888 5.494 -0.333 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.322 2.541 -0.787 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.738 3.830 -1.821 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.022 3.378 1.089 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -9.754 3.003 0.185 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -10.931 1.840 -0.473 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.386 3.214 -1.465 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.456 5.264 0.833 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.109 5.578 -0.792 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.149 5.775 0.638 1.00 0.55 H new ATOM 1234 N MET A 81 -16.368 3.618 -1.135 1.00 0.49 N ATOM 1235 CA MET A 81 -17.487 3.471 -2.062 1.00 0.57 C ATOM 1236 C MET A 81 -18.484 4.618 -1.905 1.00 0.53 C ATOM 1237 O MET A 81 -19.509 4.667 -2.586 1.00 0.61 O ATOM 1238 CB MET A 81 -18.194 2.127 -1.853 1.00 0.67 C ATOM 1239 CG MET A 81 -17.348 0.917 -2.231 1.00 0.79 C ATOM 1240 SD MET A 81 -16.785 0.961 -3.947 1.00 1.85 S ATOM 1241 CE MET A 81 -18.346 1.065 -4.818 1.00 2.59 C ATOM 0 H MET A 81 -16.479 3.118 -0.253 1.00 0.49 H new ATOM 0 HA MET A 81 -17.084 3.500 -3.074 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.486 2.041 -0.806 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.111 2.115 -2.442 1.00 0.67 H new ATOM 0 HG2 MET A 81 -16.482 0.865 -1.571 1.00 0.79 H new ATOM 0 HG3 MET A 81 -17.928 0.009 -2.067 1.00 0.79 H new ATOM 0 HE1 MET A 81 -18.200 0.782 -5.861 1.00 2.59 H new ATOM 0 HE2 MET A 81 -19.066 0.390 -4.356 1.00 2.59 H new ATOM 0 HE3 MET A 81 -18.723 2.087 -4.768 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.175 5.540 -1.005 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.024 6.698 -0.768 1.00 0.48 C ATOM 1253 C GLU A 82 -18.417 7.934 -1.429 1.00 0.43 C ATOM 1254 O GLU A 82 -17.245 7.911 -1.816 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.185 6.939 0.739 1.00 0.56 C ATOM 1256 CG GLU A 82 -19.725 5.742 1.504 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.088 5.298 1.021 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.098 5.926 1.408 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -21.158 4.313 0.262 1.00 2.34 O ATOM 0 H GLU A 82 -17.337 5.508 -0.424 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.006 6.507 -1.201 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.218 7.218 1.157 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.854 7.786 0.891 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.024 4.912 1.411 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -19.785 5.992 2.563 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.196 9.001 -1.573 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.682 10.241 -2.157 1.00 0.61 C ATOM 1268 C ALA A 83 -17.518 10.786 -1.330 1.00 0.55 C ATOM 1269 O ALA A 83 -16.465 11.137 -1.871 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.789 11.280 -2.270 1.00 0.79 C ATOM 0 H ALA A 83 -20.177 9.036 -1.297 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.315 10.019 -3.159 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.387 12.194 -2.706 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.586 10.895 -2.906 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.188 11.496 -1.279 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.706 10.819 -0.012 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.668 11.280 0.913 1.00 0.61 C ATOM 1278 C ASP A 84 -15.455 10.364 0.866 1.00 0.49 C ATOM 1279 O ASP A 84 -14.357 10.744 1.276 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.196 11.335 2.352 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.299 12.353 2.535 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.461 12.041 2.204 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -18.007 13.475 3.001 1.00 1.47 O ATOM 0 H ASP A 84 -18.572 10.531 0.443 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.378 12.283 0.599 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.567 10.350 2.636 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.374 11.572 3.027 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.656 9.163 0.352 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.589 8.195 0.291 1.00 0.41 C ATOM 1290 C GLY A 85 -13.645 8.488 -0.846 1.00 0.38 C ATOM 1291 O GLY A 85 -12.431 8.511 -0.659 1.00 0.39 O ATOM 0 H GLY A 85 -16.547 8.841 -0.026 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.039 8.198 1.232 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.008 7.196 0.170 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.202 8.709 -2.030 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.414 9.127 -3.181 1.00 0.46 C ATOM 1297 C ALA A 86 -12.626 10.397 -2.873 1.00 0.45 C ATOM 1298 O ALA A 86 -11.457 10.516 -3.242 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.313 9.336 -4.388 1.00 0.57 C ATOM 0 H ALA A 86 -15.199 8.605 -2.218 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.700 8.336 -3.410 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.710 9.648 -5.241 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.824 8.403 -4.627 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.050 10.107 -4.163 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.268 11.339 -2.187 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.606 12.572 -1.765 1.00 0.53 C ATOM 1307 C ALA A 87 -11.430 12.275 -0.839 1.00 0.48 C ATOM 1308 O ALA A 87 -10.366 12.892 -0.944 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.602 13.493 -1.075 1.00 0.63 C ATOM 0 H ALA A 87 -14.248 11.273 -1.911 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.218 13.071 -2.653 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.097 14.408 -0.765 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.408 13.739 -1.766 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.015 12.992 -0.199 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.626 11.305 0.044 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.597 10.896 0.995 1.00 0.48 C ATOM 1317 C ARG A 88 -9.419 10.277 0.247 1.00 0.40 C ATOM 1318 O ARG A 88 -8.260 10.463 0.619 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.195 9.877 1.974 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.295 9.488 3.140 1.00 0.96 C ATOM 1321 CD ARG A 88 -10.285 10.543 4.238 1.00 1.41 C ATOM 1322 NE ARG A 88 -9.305 11.602 3.998 1.00 1.91 N ATOM 1323 CZ ARG A 88 -9.592 12.906 4.018 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -10.848 13.316 4.149 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -8.622 13.804 3.900 1.00 3.71 N ATOM 0 H ARG A 88 -12.497 10.781 0.123 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.242 11.765 1.549 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.124 10.284 2.374 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.454 8.975 1.420 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -10.632 8.538 3.555 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.279 9.335 2.777 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.278 10.985 4.320 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.069 10.064 5.193 1.00 1.41 H new ATOM 0 HE ARG A 88 -8.342 11.327 3.803 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -11.601 12.633 4.235 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -11.060 14.314 4.164 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -7.655 13.499 3.794 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -8.844 14.799 3.916 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.737 9.558 -0.824 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.735 8.862 -1.618 1.00 0.34 C ATOM 1341 C PHE A 89 -7.871 9.848 -2.397 1.00 0.33 C ATOM 1342 O PHE A 89 -6.653 9.683 -2.470 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.407 7.873 -2.576 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.444 6.960 -3.286 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.701 6.031 -2.576 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.281 7.030 -4.662 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.817 5.191 -3.220 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.397 6.191 -5.310 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.663 5.271 -4.589 1.00 0.58 C ATOM 0 H PHE A 89 -10.692 9.442 -1.164 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.088 8.309 -0.937 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.120 7.268 -2.016 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -9.977 8.432 -3.318 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -7.816 5.964 -1.504 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.852 7.748 -5.232 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.246 4.471 -2.653 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.280 6.254 -6.382 1.00 0.54 H new ATOM 0 HZ PHE A 89 -5.970 4.615 -5.095 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.496 10.878 -2.966 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.762 11.899 -3.709 1.00 0.39 C ATOM 1361 C GLU A 90 -6.732 12.564 -2.805 1.00 0.38 C ATOM 1362 O GLU A 90 -5.571 12.744 -3.181 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.708 12.971 -4.260 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.687 12.475 -5.313 1.00 0.70 C ATOM 1365 CD GLU A 90 -10.500 13.606 -5.906 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -9.986 14.325 -6.787 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -11.667 13.776 -5.495 1.00 2.10 O ATOM 0 H GLU A 90 -9.504 11.027 -2.927 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.263 11.407 -4.544 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.273 13.398 -3.431 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.112 13.777 -4.689 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -9.140 11.967 -6.107 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.358 11.740 -4.867 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.172 12.909 -1.604 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.315 13.553 -0.623 1.00 0.44 C ATOM 1376 C ARG A 91 -5.189 12.617 -0.183 1.00 0.37 C ATOM 1377 O ARG A 91 -4.090 13.060 0.147 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.159 13.991 0.579 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.352 14.396 1.800 1.00 0.73 C ATOM 1380 CD ARG A 91 -5.431 15.570 1.526 1.00 1.31 C ATOM 1381 NE ARG A 91 -4.592 15.860 2.683 1.00 2.11 N ATOM 1382 CZ ARG A 91 -3.339 16.303 2.613 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -2.781 16.560 1.436 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -2.641 16.484 3.725 1.00 4.06 N ATOM 0 H ARG A 91 -8.128 12.751 -1.284 1.00 0.39 H new ATOM 0 HA ARG A 91 -5.854 14.431 -1.076 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -7.787 14.830 0.280 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.827 13.175 0.855 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.032 14.654 2.612 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -5.760 13.546 2.138 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -4.802 15.350 0.663 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.023 16.449 1.273 1.00 1.31 H new ATOM 0 HE ARG A 91 -4.993 15.713 3.609 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -3.313 16.418 0.577 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -1.820 16.899 1.390 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -3.064 16.284 4.631 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -1.680 16.823 3.675 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.458 11.319 -0.214 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.483 10.335 0.230 1.00 0.32 C ATOM 1400 C TYR A 92 -3.373 10.197 -0.808 1.00 0.30 C ATOM 1401 O TYR A 92 -2.203 10.039 -0.462 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.165 8.982 0.462 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.274 7.941 1.107 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.964 8.003 2.460 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.733 6.902 0.357 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.138 7.062 3.047 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.911 5.955 0.940 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.660 6.013 2.299 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.790 5.104 2.863 1.00 0.64 O ATOM 0 H TYR A 92 -6.340 10.925 -0.541 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.046 10.670 1.171 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.042 9.133 1.091 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.520 8.598 -0.494 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.375 8.799 3.063 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -3.958 6.834 -0.697 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.870 7.151 4.089 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.468 5.175 0.338 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.550 4.425 2.198 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.750 10.279 -2.079 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.790 10.184 -3.173 1.00 0.34 C ATOM 1421 C LEU A 93 -1.817 11.354 -3.125 1.00 0.35 C ATOM 1422 O LEU A 93 -0.608 11.180 -3.280 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.506 10.166 -4.528 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.505 9.024 -4.736 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.190 9.163 -6.084 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.814 7.671 -4.626 1.00 0.44 C ATOM 0 H LEU A 93 -4.716 10.411 -2.378 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.238 9.251 -3.057 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.033 11.112 -4.652 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.754 10.114 -5.315 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.260 9.083 -3.952 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.897 8.345 -6.219 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.722 10.113 -6.125 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.443 9.131 -6.877 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.544 6.876 -4.777 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.035 7.598 -5.385 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.367 7.570 -3.637 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.354 12.543 -2.896 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.548 13.754 -2.823 1.00 0.39 C ATOM 1440 C ALA A 94 -0.644 13.761 -1.590 1.00 0.37 C ATOM 1441 O ALA A 94 0.327 14.513 -1.525 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.452 14.974 -2.817 1.00 0.43 C ATOM 0 H ALA A 94 -3.353 12.696 -2.756 1.00 0.36 H new ATOM 0 HA ALA A 94 -0.904 13.781 -3.702 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.844 15.877 -2.762 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.046 14.991 -3.731 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.116 14.931 -1.954 1.00 0.43 H new ATOM 1448 N ALA A 95 -0.966 12.928 -0.612 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.204 12.888 0.627 1.00 0.35 C ATOM 1450 C ALA A 95 0.730 11.683 0.674 1.00 0.33 C ATOM 1451 O ALA A 95 1.464 11.505 1.643 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.141 12.872 1.823 1.00 0.40 C ATOM 0 H ALA A 95 -1.747 12.273 -0.652 1.00 0.33 H new ATOM 0 HA ALA A 95 0.410 13.787 0.666 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.557 12.842 2.743 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.758 13.771 1.814 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.782 11.992 1.771 1.00 0.40 H new ATOM 1458 N LEU A 96 0.705 10.866 -0.378 1.00 0.35 N ATOM 1459 CA LEU A 96 1.544 9.666 -0.445 1.00 0.36 C ATOM 1460 C LEU A 96 3.025 9.958 -0.158 1.00 0.35 C ATOM 1461 O LEU A 96 3.608 9.304 0.699 1.00 0.34 O ATOM 1462 CB LEU A 96 1.391 8.958 -1.796 1.00 0.44 C ATOM 1463 CG LEU A 96 0.078 8.199 -1.995 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.036 7.715 -3.431 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.022 7.024 -1.033 1.00 0.49 C ATOM 0 H LEU A 96 0.114 11.011 -1.196 1.00 0.35 H new ATOM 0 HA LEU A 96 1.190 9.002 0.343 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.485 9.700 -2.589 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.217 8.257 -1.915 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.746 8.881 -1.785 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.975 7.176 -3.560 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.013 8.570 -4.106 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.798 7.051 -3.658 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.964 6.501 -1.195 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.808 6.339 -1.208 1.00 0.49 H new ATOM 0 HD23 LEU A 96 0.019 7.389 -0.007 1.00 0.49 H new ATOM 1477 N PRO A 97 3.663 10.936 -0.845 1.00 0.37 N ATOM 1478 CA PRO A 97 5.080 11.259 -0.604 1.00 0.39 C ATOM 1479 C PRO A 97 5.340 11.720 0.829 1.00 0.35 C ATOM 1480 O PRO A 97 6.426 11.519 1.377 1.00 0.36 O ATOM 1481 CB PRO A 97 5.370 12.399 -1.590 1.00 0.46 C ATOM 1482 CG PRO A 97 4.032 12.951 -1.948 1.00 0.46 C ATOM 1483 CD PRO A 97 3.089 11.786 -1.906 1.00 0.42 C ATOM 0 HA PRO A 97 5.718 10.386 -0.744 1.00 0.39 H new ATOM 0 HB2 PRO A 97 6.003 13.162 -1.136 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.895 12.033 -2.473 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.728 13.727 -1.245 1.00 0.46 H new ATOM 0 HG3 PRO A 97 4.048 13.406 -2.938 1.00 0.46 H new ATOM 0 HD2 PRO A 97 2.072 12.098 -1.668 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.047 11.265 -2.863 1.00 0.42 H new ATOM 1491 N ARG A 98 4.328 12.323 1.437 1.00 0.34 N ATOM 1492 CA ARG A 98 4.454 12.844 2.791 1.00 0.35 C ATOM 1493 C ARG A 98 4.386 11.711 3.808 1.00 0.31 C ATOM 1494 O ARG A 98 5.177 11.655 4.751 1.00 0.33 O ATOM 1495 CB ARG A 98 3.355 13.873 3.068 1.00 0.44 C ATOM 1496 CG ARG A 98 3.447 15.121 2.202 1.00 1.33 C ATOM 1497 CD ARG A 98 4.731 15.894 2.465 1.00 1.71 C ATOM 1498 NE ARG A 98 4.873 16.245 3.876 1.00 2.37 N ATOM 1499 CZ ARG A 98 6.029 16.559 4.456 1.00 3.24 C ATOM 1500 NH1 ARG A 98 7.144 16.616 3.737 1.00 3.56 N ATOM 1501 NH2 ARG A 98 6.065 16.829 5.753 1.00 4.22 N ATOM 0 H ARG A 98 3.411 12.464 1.014 1.00 0.34 H new ATOM 0 HA ARG A 98 5.423 13.334 2.884 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.384 13.404 2.911 1.00 0.44 H new ATOM 0 HB3 ARG A 98 3.401 14.166 4.117 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.401 14.839 1.150 1.00 1.33 H new ATOM 0 HG3 ARG A 98 2.589 15.764 2.397 1.00 1.33 H new ATOM 0 HD2 ARG A 98 5.586 15.296 2.151 1.00 1.71 H new ATOM 0 HD3 ARG A 98 4.739 16.802 1.862 1.00 1.71 H new ATOM 0 HE ARG A 98 4.032 16.250 4.454 1.00 2.37 H new ATOM 0 HH11 ARG A 98 7.116 16.419 2.737 1.00 3.56 H new ATOM 0 HH12 ARG A 98 8.028 16.857 4.185 1.00 3.56 H new ATOM 0 HH21 ARG A 98 5.208 16.796 6.305 1.00 4.22 H new ATOM 0 HH22 ARG A 98 6.950 17.070 6.199 1.00 4.22 H new ATOM 1515 N LYS A 99 3.452 10.797 3.591 1.00 0.31 N ATOM 1516 CA LYS A 99 3.257 9.679 4.497 1.00 0.36 C ATOM 1517 C LYS A 99 4.390 8.676 4.321 1.00 0.32 C ATOM 1518 O LYS A 99 4.799 8.005 5.267 1.00 0.32 O ATOM 1519 CB LYS A 99 1.902 9.018 4.241 1.00 0.47 C ATOM 1520 CG LYS A 99 1.357 8.275 5.448 1.00 0.86 C ATOM 1521 CD LYS A 99 -0.078 7.826 5.227 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.660 7.185 6.478 1.00 1.52 C ATOM 1523 NZ LYS A 99 -0.602 8.098 7.652 1.00 1.44 N ATOM 0 H LYS A 99 2.817 10.809 2.793 1.00 0.31 H new ATOM 0 HA LYS A 99 3.266 10.042 5.525 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.185 9.781 3.939 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.997 8.322 3.407 1.00 0.47 H new ATOM 0 HG2 LYS A 99 1.983 7.407 5.655 1.00 0.86 H new ATOM 0 HG3 LYS A 99 1.406 8.920 6.326 1.00 0.86 H new ATOM 0 HD2 LYS A 99 -0.688 8.682 4.938 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.115 7.115 4.402 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.695 6.900 6.291 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -0.114 6.269 6.704 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -1.249 7.755 8.391 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 0.368 8.122 8.025 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.885 9.056 7.361 1.00 1.44 H new ATOM 1537 N LEU A 100 4.895 8.599 3.095 1.00 0.33 N ATOM 1538 CA LEU A 100 6.015 7.732 2.764 1.00 0.35 C ATOM 1539 C LEU A 100 7.240 8.131 3.574 1.00 0.34 C ATOM 1540 O LEU A 100 7.883 7.293 4.204 1.00 0.35 O ATOM 1541 CB LEU A 100 6.334 7.828 1.269 1.00 0.42 C ATOM 1542 CG LEU A 100 7.387 6.846 0.751 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.816 5.441 0.659 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.918 7.297 -0.599 1.00 1.58 C ATOM 0 H LEU A 100 4.539 9.136 2.305 1.00 0.33 H new ATOM 0 HA LEU A 100 5.744 6.704 3.005 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.412 7.672 0.709 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.671 8.842 1.053 1.00 0.42 H new ATOM 0 HG LEU A 100 8.215 6.830 1.459 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.582 4.760 0.288 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.489 5.116 1.647 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.967 5.437 -0.024 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.666 6.587 -0.952 1.00 1.58 H new ATOM 0 HD22 LEU A 100 7.098 7.346 -1.315 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.372 8.283 -0.500 1.00 1.58 H new ATOM 1556 N ALA A 101 7.539 9.427 3.565 1.00 0.33 N ATOM 1557 CA ALA A 101 8.669 9.961 4.314 1.00 0.36 C ATOM 1558 C ALA A 101 8.509 9.687 5.805 1.00 0.33 C ATOM 1559 O ALA A 101 9.488 9.433 6.513 1.00 0.35 O ATOM 1560 CB ALA A 101 8.808 11.454 4.062 1.00 0.41 C ATOM 0 H ALA A 101 7.011 10.128 3.045 1.00 0.33 H new ATOM 0 HA ALA A 101 9.575 9.461 3.972 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.656 11.841 4.627 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.970 11.630 2.999 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.898 11.963 4.379 1.00 0.41 H new ATOM 1566 N ALA A 102 7.264 9.728 6.267 1.00 0.32 N ATOM 1567 CA ALA A 102 6.957 9.482 7.668 1.00 0.33 C ATOM 1568 C ALA A 102 7.237 8.029 8.043 1.00 0.32 C ATOM 1569 O ALA A 102 7.749 7.746 9.128 1.00 0.35 O ATOM 1570 CB ALA A 102 5.507 9.843 7.960 1.00 0.35 C ATOM 0 H ALA A 102 6.449 9.930 5.688 1.00 0.32 H new ATOM 0 HA ALA A 102 7.603 10.114 8.277 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.290 9.654 9.011 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.343 10.898 7.739 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.849 9.236 7.339 1.00 0.35 H new ATOM 1576 N TRP A 103 6.909 7.111 7.138 1.00 0.30 N ATOM 1577 CA TRP A 103 7.147 5.691 7.370 1.00 0.32 C ATOM 1578 C TRP A 103 8.640 5.381 7.365 1.00 0.32 C ATOM 1579 O TRP A 103 9.123 4.623 8.209 1.00 0.34 O ATOM 1580 CB TRP A 103 6.441 4.829 6.315 1.00 0.33 C ATOM 1581 CG TRP A 103 4.945 4.822 6.425 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.195 4.863 7.567 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.017 4.740 5.341 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.857 4.824 7.253 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.725 4.749 5.892 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.158 4.667 3.955 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.581 4.685 5.102 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.023 4.604 3.173 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.748 4.614 3.748 1.00 0.44 C ATOM 0 H TRP A 103 6.478 7.325 6.239 1.00 0.30 H new ATOM 0 HA TRP A 103 6.736 5.450 8.351 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.719 5.188 5.324 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.805 3.805 6.397 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.595 4.918 8.569 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.089 4.847 7.924 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.138 4.660 3.502 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.596 4.691 5.544 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.121 4.546 2.099 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.879 4.565 3.109 1.00 0.44 H new ATOM 1600 N GLU A 104 9.366 5.974 6.418 1.00 0.34 N ATOM 1601 CA GLU A 104 10.806 5.751 6.303 1.00 0.38 C ATOM 1602 C GLU A 104 11.516 6.116 7.602 1.00 0.39 C ATOM 1603 O GLU A 104 12.281 5.321 8.155 1.00 0.41 O ATOM 1604 CB GLU A 104 11.402 6.572 5.149 1.00 0.42 C ATOM 1605 CG GLU A 104 10.881 6.196 3.767 1.00 0.45 C ATOM 1606 CD GLU A 104 11.632 6.906 2.655 1.00 0.51 C ATOM 1607 OE1 GLU A 104 12.677 6.383 2.201 1.00 0.52 O ATOM 1608 OE2 GLU A 104 11.197 8.002 2.242 1.00 0.62 O ATOM 0 H GLU A 104 8.981 6.611 5.721 1.00 0.34 H new ATOM 0 HA GLU A 104 10.957 4.691 6.097 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.194 7.627 5.326 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.486 6.454 5.159 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.967 5.118 3.630 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.821 6.442 3.701 1.00 0.45 H new ATOM 1615 N ASN A 105 11.224 7.313 8.091 1.00 0.41 N ATOM 1616 CA ASN A 105 11.863 7.842 9.290 1.00 0.47 C ATOM 1617 C ASN A 105 11.514 7.016 10.529 1.00 0.46 C ATOM 1618 O ASN A 105 12.344 6.835 11.418 1.00 0.50 O ATOM 1619 CB ASN A 105 11.443 9.304 9.500 1.00 0.53 C ATOM 1620 CG ASN A 105 12.102 9.959 10.706 1.00 1.24 C ATOM 1621 OD1 ASN A 105 11.486 10.785 11.381 1.00 2.01 O ATOM 1622 ND2 ASN A 105 13.359 9.625 10.974 1.00 1.70 N ATOM 0 H ASN A 105 10.541 7.943 7.671 1.00 0.41 H new ATOM 0 HA ASN A 105 12.942 7.786 9.147 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.690 9.876 8.606 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.360 9.349 9.619 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.845 10.057 11.760 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.839 8.937 10.394 1.00 1.70 H new ATOM 1629 N ALA A 106 10.296 6.497 10.575 1.00 0.45 N ATOM 1630 CA ALA A 106 9.813 5.818 11.770 1.00 0.48 C ATOM 1631 C ALA A 106 10.194 4.340 11.801 1.00 0.50 C ATOM 1632 O ALA A 106 10.689 3.842 12.813 1.00 0.66 O ATOM 1633 CB ALA A 106 8.304 5.960 11.879 1.00 0.52 C ATOM 0 H ALA A 106 9.628 6.532 9.805 1.00 0.45 H new ATOM 0 HA ALA A 106 10.295 6.296 12.623 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.954 5.449 12.776 1.00 0.52 H new ATOM 0 HB2 ALA A 106 8.041 7.016 11.938 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.833 5.517 11.002 1.00 0.52 H new ATOM 1639 N ARG A 107 9.971 3.641 10.696 1.00 0.43 N ATOM 1640 CA ARG A 107 10.104 2.187 10.692 1.00 0.47 C ATOM 1641 C ARG A 107 11.490 1.726 10.254 1.00 0.48 C ATOM 1642 O ARG A 107 11.787 0.533 10.278 1.00 0.56 O ATOM 1643 CB ARG A 107 9.038 1.548 9.796 1.00 0.51 C ATOM 1644 CG ARG A 107 7.609 1.964 10.135 1.00 0.59 C ATOM 1645 CD ARG A 107 7.248 1.692 11.595 1.00 0.72 C ATOM 1646 NE ARG A 107 7.368 0.277 11.949 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.436 -0.402 12.623 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.291 0.181 12.956 1.00 1.35 N ATOM 1649 NH2 ARG A 107 6.647 -1.670 12.949 1.00 1.26 N ATOM 0 H ARG A 107 9.701 4.049 9.801 1.00 0.43 H new ATOM 0 HA ARG A 107 9.959 1.860 11.722 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.245 1.811 8.759 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.117 0.464 9.872 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.485 3.026 9.926 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.915 1.428 9.487 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.898 2.281 12.242 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.227 2.024 11.781 1.00 0.72 H new ATOM 0 HE ARG A 107 8.212 -0.219 11.664 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.119 1.153 12.697 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.583 -0.343 13.471 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.520 -2.126 12.685 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.936 -2.189 13.464 1.00 1.26 H new ATOM 1663 N GLY A 108 12.341 2.668 9.866 1.00 0.45 N ATOM 1664 CA GLY A 108 13.689 2.315 9.466 1.00 0.49 C ATOM 1665 C GLY A 108 13.730 1.723 8.073 1.00 0.46 C ATOM 1666 O GLY A 108 14.286 0.643 7.856 1.00 0.50 O ATOM 0 H GLY A 108 12.124 3.664 9.821 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.322 3.202 9.502 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.102 1.599 10.177 1.00 0.49 H new ATOM 1670 N VAL A 109 13.138 2.436 7.131 1.00 0.42 N ATOM 1671 CA VAL A 109 13.037 1.973 5.756 1.00 0.41 C ATOM 1672 C VAL A 109 13.624 3.031 4.829 1.00 0.43 C ATOM 1673 O VAL A 109 13.475 4.225 5.088 1.00 0.46 O ATOM 1674 CB VAL A 109 11.560 1.690 5.375 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.432 1.218 3.936 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.941 0.670 6.319 1.00 0.43 C ATOM 0 H VAL A 109 12.715 3.349 7.296 1.00 0.42 H new ATOM 0 HA VAL A 109 13.595 1.042 5.653 1.00 0.41 H new ATOM 0 HB VAL A 109 11.017 2.630 5.470 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.383 1.030 3.707 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.818 1.986 3.266 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.003 0.299 3.802 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.906 0.489 6.031 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.501 -0.263 6.264 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.972 1.053 7.339 1.00 0.43 H new ATOM 1686 N ASP A 110 14.313 2.612 3.775 1.00 0.44 N ATOM 1687 CA ASP A 110 14.889 3.566 2.837 1.00 0.49 C ATOM 1688 C ASP A 110 14.683 3.106 1.401 1.00 0.54 C ATOM 1689 O ASP A 110 15.341 2.177 0.924 1.00 0.57 O ATOM 1690 CB ASP A 110 16.376 3.783 3.106 1.00 0.53 C ATOM 1691 CG ASP A 110 16.927 4.916 2.270 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.672 6.090 2.612 1.00 0.84 O ATOM 1693 OD2 ASP A 110 17.591 4.645 1.251 1.00 0.79 O ATOM 0 H ASP A 110 14.485 1.632 3.550 1.00 0.44 H new ATOM 0 HA ASP A 110 14.373 4.515 2.981 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.528 4.001 4.163 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.925 2.867 2.887 1.00 0.53 H new ATOM 1698 N PHE A 111 13.777 3.777 0.710 1.00 0.60 N ATOM 1699 CA PHE A 111 13.415 3.401 -0.652 1.00 0.68 C ATOM 1700 C PHE A 111 14.488 3.805 -1.656 1.00 0.77 C ATOM 1701 O PHE A 111 14.402 3.462 -2.837 1.00 0.90 O ATOM 1702 CB PHE A 111 12.072 4.023 -1.028 1.00 0.73 C ATOM 1703 CG PHE A 111 10.915 3.422 -0.280 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.599 3.860 0.995 1.00 0.62 C ATOM 1705 CD2 PHE A 111 10.136 2.431 -0.855 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.531 3.321 1.681 1.00 0.61 C ATOM 1707 CE2 PHE A 111 9.065 1.890 -0.173 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.793 2.288 1.111 1.00 0.62 C ATOM 0 H PHE A 111 13.275 4.589 1.069 1.00 0.60 H new ATOM 0 HA PHE A 111 13.330 2.315 -0.686 1.00 0.68 H new ATOM 0 HB2 PHE A 111 12.107 5.095 -0.832 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.908 3.900 -2.099 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.196 4.632 1.457 1.00 0.62 H new ATOM 0 HD2 PHE A 111 10.370 2.078 -1.848 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.268 3.699 2.658 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.439 1.151 -0.652 1.00 0.71 H new ATOM 0 HZ PHE A 111 8.011 1.803 1.676 1.00 0.62 H new ATOM 1718 N GLY A 112 15.492 4.535 -1.196 1.00 0.76 N ATOM 1719 CA GLY A 112 16.580 4.911 -2.070 1.00 0.84 C ATOM 1720 C GLY A 112 17.627 3.824 -2.164 1.00 0.79 C ATOM 1721 O GLY A 112 18.221 3.615 -3.217 1.00 0.89 O ATOM 0 H GLY A 112 15.572 4.872 -0.237 1.00 0.76 H new ATOM 0 HA2 GLY A 112 16.189 5.126 -3.065 1.00 0.84 H new ATOM 0 HA3 GLY A 112 17.040 5.828 -1.703 1.00 0.84 H new ATOM 1725 N SER A 113 17.840 3.122 -1.060 1.00 0.71 N ATOM 1726 CA SER A 113 18.841 2.071 -1.003 1.00 0.70 C ATOM 1727 C SER A 113 18.230 0.707 -1.323 1.00 0.68 C ATOM 1728 O SER A 113 18.949 -0.279 -1.469 1.00 0.72 O ATOM 1729 CB SER A 113 19.481 2.049 0.387 1.00 0.71 C ATOM 1730 OG SER A 113 19.901 3.351 0.768 1.00 1.38 O ATOM 0 H SER A 113 17.329 3.264 -0.189 1.00 0.71 H new ATOM 0 HA SER A 113 19.604 2.279 -1.753 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.767 1.664 1.115 1.00 0.71 H new ATOM 0 HB3 SER A 113 20.335 1.371 0.389 1.00 0.71 H new ATOM 0 HG SER A 113 19.169 3.808 1.232 1.00 1.38 H new ATOM 1736 N ARG A 114 16.895 0.664 -1.417 1.00 0.68 N ATOM 1737 CA ARG A 114 16.162 -0.573 -1.727 1.00 0.75 C ATOM 1738 C ARG A 114 16.273 -1.568 -0.577 1.00 0.68 C ATOM 1739 O ARG A 114 15.932 -2.745 -0.717 1.00 0.72 O ATOM 1740 CB ARG A 114 16.675 -1.217 -3.022 1.00 0.91 C ATOM 1741 CG ARG A 114 16.518 -0.344 -4.254 1.00 1.10 C ATOM 1742 CD ARG A 114 17.139 -1.001 -5.478 1.00 1.31 C ATOM 1743 NE ARG A 114 18.572 -1.252 -5.304 1.00 1.48 N ATOM 1744 CZ ARG A 114 19.350 -1.811 -6.232 1.00 1.92 C ATOM 1745 NH1 ARG A 114 18.835 -2.193 -7.394 1.00 2.13 N ATOM 1746 NH2 ARG A 114 20.645 -1.991 -5.996 1.00 2.70 N ATOM 0 H ARG A 114 16.295 1.478 -1.282 1.00 0.68 H new ATOM 0 HA ARG A 114 15.115 -0.306 -1.867 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.729 -1.466 -2.898 1.00 0.91 H new ATOM 0 HB3 ARG A 114 16.143 -2.154 -3.184 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.460 -0.156 -4.437 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.989 0.624 -4.079 1.00 1.10 H new ATOM 0 HD2 ARG A 114 16.629 -1.943 -5.681 1.00 1.31 H new ATOM 0 HD3 ARG A 114 16.987 -0.362 -6.348 1.00 1.31 H new ATOM 0 HE ARG A 114 19.001 -0.983 -4.419 1.00 1.48 H new ATOM 0 HH11 ARG A 114 17.841 -2.059 -7.580 1.00 2.13 H new ATOM 0 HH12 ARG A 114 19.433 -2.620 -8.101 1.00 2.13 H new ATOM 0 HH21 ARG A 114 21.046 -1.702 -5.104 1.00 2.70 H new ATOM 0 HH22 ARG A 114 21.238 -2.419 -6.707 1.00 2.70 H new ATOM 1760 N THR A 115 16.740 -1.082 0.558 1.00 0.60 N ATOM 1761 CA THR A 115 16.941 -1.911 1.725 1.00 0.57 C ATOM 1762 C THR A 115 16.282 -1.273 2.940 1.00 0.52 C ATOM 1763 O THR A 115 15.742 -0.167 2.858 1.00 0.53 O ATOM 1764 CB THR A 115 18.444 -2.120 2.001 1.00 0.63 C ATOM 1765 OG1 THR A 115 19.118 -0.854 2.034 1.00 0.80 O ATOM 1766 CG2 THR A 115 19.080 -3.008 0.939 1.00 0.78 C ATOM 0 H THR A 115 16.989 -0.102 0.694 1.00 0.60 H new ATOM 0 HA THR A 115 16.485 -2.882 1.533 1.00 0.57 H new ATOM 0 HB THR A 115 18.543 -2.613 2.968 1.00 0.63 H new ATOM 0 HG1 THR A 115 20.071 -0.995 2.211 1.00 0.80 H new ATOM 0 HG21 THR A 115 20.140 -3.137 1.160 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.588 -3.981 0.936 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.968 -2.542 -0.040 1.00 0.78 H new ATOM 1774 N GLN A 116 16.311 -1.972 4.059 1.00 0.50 N ATOM 1775 CA GLN A 116 15.756 -1.449 5.290 1.00 0.51 C ATOM 1776 C GLN A 116 16.617 -1.858 6.473 1.00 0.54 C ATOM 1777 O GLN A 116 17.235 -2.923 6.467 1.00 0.55 O ATOM 1778 CB GLN A 116 14.311 -1.933 5.476 1.00 0.50 C ATOM 1779 CG GLN A 116 14.145 -3.448 5.415 1.00 0.45 C ATOM 1780 CD GLN A 116 12.712 -3.892 5.647 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.978 -3.149 6.461 1.00 1.21 O flip ATOM 1782 NE2 GLN A 116 12.268 -4.904 5.105 1.00 1.00 N flip ATOM 0 H GLN A 116 16.714 -2.905 4.139 1.00 0.50 H new ATOM 0 HA GLN A 116 15.746 -0.361 5.233 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.942 -1.577 6.438 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.686 -1.479 4.707 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.479 -3.807 4.441 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.789 -3.910 6.163 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.863 -5.452 4.484 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.305 -5.194 5.277 1.00 1.00 H new ATOM 1791 N ALA A 117 16.677 -0.986 7.471 1.00 0.62 N ATOM 1792 CA ALA A 117 17.433 -1.261 8.680 1.00 0.68 C ATOM 1793 C ALA A 117 16.614 -2.124 9.626 1.00 0.68 C ATOM 1794 O ALA A 117 17.136 -2.685 10.588 1.00 0.84 O ATOM 1795 CB ALA A 117 17.844 0.035 9.360 1.00 0.83 C ATOM 0 H ALA A 117 16.209 -0.080 7.464 1.00 0.62 H new ATOM 0 HA ALA A 117 18.338 -1.805 8.408 1.00 0.68 H new ATOM 0 HB1 ALA A 117 18.409 -0.192 10.264 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.464 0.621 8.682 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.954 0.606 9.623 1.00 0.83 H new ATOM 1801 N ASP A 118 15.321 -2.209 9.350 1.00 0.69 N ATOM 1802 CA ASP A 118 14.433 -3.078 10.107 1.00 0.73 C ATOM 1803 C ASP A 118 14.439 -4.469 9.483 1.00 0.67 C ATOM 1804 O ASP A 118 15.003 -4.664 8.405 1.00 0.67 O ATOM 1805 CB ASP A 118 13.007 -2.511 10.119 1.00 0.81 C ATOM 1806 CG ASP A 118 12.150 -3.098 11.226 1.00 0.81 C ATOM 1807 OD1 ASP A 118 12.144 -2.530 12.341 1.00 1.04 O ATOM 1808 OD2 ASP A 118 11.477 -4.121 10.987 1.00 1.07 O ATOM 0 H ASP A 118 14.862 -1.685 8.605 1.00 0.69 H new ATOM 0 HA ASP A 118 14.785 -3.139 11.137 1.00 0.73 H new ATOM 0 HB2 ASP A 118 13.052 -1.428 10.236 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.534 -2.708 9.157 1.00 0.81 H new ATOM 1813 N ALA A 119 13.829 -5.433 10.149 1.00 0.72 N ATOM 1814 CA ALA A 119 13.749 -6.780 9.610 1.00 0.73 C ATOM 1815 C ALA A 119 12.632 -6.877 8.579 1.00 0.66 C ATOM 1816 O ALA A 119 12.799 -7.489 7.523 1.00 0.73 O ATOM 1817 CB ALA A 119 13.530 -7.791 10.727 1.00 0.91 C ATOM 0 H ALA A 119 13.384 -5.310 11.059 1.00 0.72 H new ATOM 0 HA ALA A 119 14.694 -7.009 9.118 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.473 -8.794 10.304 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.361 -7.741 11.431 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.600 -7.563 11.247 1.00 0.91 H new ATOM 1823 N LEU A 120 11.501 -6.253 8.881 1.00 0.69 N ATOM 1824 CA LEU A 120 10.323 -6.348 8.037 1.00 0.63 C ATOM 1825 C LEU A 120 9.297 -5.318 8.487 1.00 0.57 C ATOM 1826 O LEU A 120 9.071 -5.165 9.684 1.00 0.65 O ATOM 1827 CB LEU A 120 9.728 -7.757 8.131 1.00 0.73 C ATOM 1828 CG LEU A 120 8.528 -8.031 7.229 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.912 -7.888 5.770 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.967 -9.415 7.498 1.00 1.00 C ATOM 0 H LEU A 120 11.377 -5.673 9.711 1.00 0.69 H new ATOM 0 HA LEU A 120 10.600 -6.152 7.001 1.00 0.63 H new ATOM 0 HB2 LEU A 120 10.510 -8.478 7.893 1.00 0.73 H new ATOM 0 HB3 LEU A 120 9.431 -7.938 9.164 1.00 0.73 H new ATOM 0 HG LEU A 120 7.756 -7.295 7.453 1.00 0.69 H new ATOM 0 HD11 LEU A 120 8.042 -8.087 5.144 1.00 0.89 H new ATOM 0 HD12 LEU A 120 9.268 -6.874 5.585 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.702 -8.599 5.530 1.00 0.89 H new ATOM 0 HD21 LEU A 120 7.112 -9.594 6.846 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.735 -10.163 7.302 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.651 -9.483 8.539 1.00 1.00 H new ATOM 1842 N VAL A 121 8.682 -4.606 7.552 1.00 0.50 N ATOM 1843 CA VAL A 121 7.689 -3.608 7.922 1.00 0.47 C ATOM 1844 C VAL A 121 6.292 -3.992 7.418 1.00 0.39 C ATOM 1845 O VAL A 121 5.951 -3.821 6.245 1.00 0.33 O ATOM 1846 CB VAL A 121 8.096 -2.187 7.446 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.375 -2.148 5.954 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.035 -1.166 7.821 1.00 0.50 C ATOM 0 H VAL A 121 8.849 -4.698 6.550 1.00 0.50 H new ATOM 0 HA VAL A 121 7.648 -3.582 9.011 1.00 0.47 H new ATOM 0 HB VAL A 121 9.023 -1.928 7.958 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.656 -1.136 5.663 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.189 -2.833 5.718 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.480 -2.447 5.409 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.343 -0.178 7.477 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.089 -1.435 7.352 1.00 0.50 H new ATOM 0 HG23 VAL A 121 6.911 -1.151 8.904 1.00 0.50 H new ATOM 1858 N LEU A 122 5.501 -4.565 8.315 1.00 0.41 N ATOM 1859 CA LEU A 122 4.119 -4.916 8.015 1.00 0.39 C ATOM 1860 C LEU A 122 3.175 -3.919 8.673 1.00 0.42 C ATOM 1861 O LEU A 122 2.939 -3.974 9.879 1.00 0.73 O ATOM 1862 CB LEU A 122 3.810 -6.332 8.515 1.00 0.50 C ATOM 1863 CG LEU A 122 4.765 -7.427 8.025 1.00 0.51 C ATOM 1864 CD1 LEU A 122 4.346 -8.784 8.568 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.820 -7.462 6.507 1.00 0.46 C ATOM 0 H LEU A 122 5.795 -4.798 9.263 1.00 0.41 H new ATOM 0 HA LEU A 122 3.977 -4.885 6.935 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.822 -6.325 9.605 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.797 -6.594 8.209 1.00 0.50 H new ATOM 0 HG LEU A 122 5.762 -7.194 8.398 1.00 0.51 H new ATOM 0 HD11 LEU A 122 5.036 -9.548 8.209 1.00 0.66 H new ATOM 0 HD12 LEU A 122 4.364 -8.761 9.658 1.00 0.66 H new ATOM 0 HD13 LEU A 122 3.337 -9.017 8.227 1.00 0.66 H new ATOM 0 HD21 LEU A 122 5.504 -8.247 6.186 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.825 -7.664 6.111 1.00 0.46 H new ATOM 0 HD23 LEU A 122 5.171 -6.500 6.133 1.00 0.46 H new ATOM 1877 N LEU A 123 2.650 -3.000 7.881 1.00 0.24 N ATOM 1878 CA LEU A 123 1.799 -1.940 8.403 1.00 0.24 C ATOM 1879 C LEU A 123 0.327 -2.340 8.387 1.00 0.24 C ATOM 1880 O LEU A 123 -0.295 -2.453 7.324 1.00 0.25 O ATOM 1881 CB LEU A 123 1.998 -0.655 7.596 1.00 0.26 C ATOM 1882 CG LEU A 123 3.425 -0.106 7.569 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.484 1.176 6.757 1.00 0.35 C ATOM 1884 CD2 LEU A 123 3.943 0.139 8.979 1.00 0.37 C ATOM 0 H LEU A 123 2.797 -2.965 6.872 1.00 0.24 H new ATOM 0 HA LEU A 123 2.089 -1.766 9.439 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.679 -0.839 6.570 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.340 0.113 8.002 1.00 0.26 H new ATOM 0 HG LEU A 123 4.064 -0.852 7.097 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.506 1.554 6.748 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.162 0.975 5.735 1.00 0.35 H new ATOM 0 HD13 LEU A 123 2.826 1.921 7.205 1.00 0.35 H new ATOM 0 HD21 LEU A 123 4.960 0.529 8.930 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.301 0.862 9.482 1.00 0.37 H new ATOM 0 HD23 LEU A 123 3.940 -0.798 9.536 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.224 -2.553 9.573 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.633 -2.863 9.699 1.00 0.28 C ATOM 1898 C GLY A 124 -2.414 -1.724 10.323 1.00 0.30 C ATOM 1899 O GLY A 124 -1.833 -0.851 10.972 1.00 0.34 O ATOM 0 H GLY A 124 0.284 -2.516 10.457 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.044 -3.087 8.715 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.753 -3.760 10.306 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.729 -1.727 10.134 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.574 -0.707 10.733 1.00 0.36 C ATOM 1905 C GLY A 125 -4.346 0.684 10.168 1.00 0.35 C ATOM 1906 O GLY A 125 -4.470 1.673 10.889 1.00 0.40 O ATOM 0 H GLY A 125 -4.227 -2.419 9.575 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.619 -0.982 10.587 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.397 -0.686 11.808 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.994 0.769 8.891 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.804 2.065 8.248 1.00 0.31 C ATOM 1912 C LEU A 126 -5.133 2.712 7.879 1.00 0.33 C ATOM 1913 O LEU A 126 -6.127 2.027 7.623 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.922 1.944 7.004 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.429 2.185 7.235 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.882 1.231 8.282 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.664 2.041 5.928 1.00 0.39 C ATOM 0 H LEU A 126 -3.835 -0.035 8.284 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.301 2.705 8.973 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.051 0.947 6.583 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.277 2.654 6.257 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.299 3.202 7.605 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.181 1.422 8.428 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.411 1.382 9.223 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.023 0.203 7.947 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.397 2.215 6.106 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.805 1.035 5.533 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.035 2.770 5.207 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.132 4.037 7.860 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.313 4.814 7.513 1.00 0.41 C ATOM 1931 C ASP A 127 -5.958 5.774 6.392 1.00 0.39 C ATOM 1932 O ASP A 127 -4.777 6.011 6.128 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.822 5.620 8.720 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.223 4.755 9.896 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.382 4.278 9.929 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.391 4.569 10.808 1.00 1.11 O ATOM 0 H ASP A 127 -4.314 4.603 8.084 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.100 4.128 7.199 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.044 6.314 9.038 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.678 6.220 8.412 1.00 0.53 H new ATOM 1941 N PHE A 128 -6.963 6.341 5.746 1.00 0.39 N ATOM 1942 CA PHE A 128 -6.726 7.306 4.679 1.00 0.42 C ATOM 1943 C PHE A 128 -6.777 8.723 5.234 1.00 0.49 C ATOM 1944 O PHE A 128 -7.115 9.680 4.530 1.00 0.61 O ATOM 1945 CB PHE A 128 -7.738 7.125 3.547 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.570 5.831 2.797 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.073 4.643 3.304 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -6.909 5.806 1.584 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.920 3.457 2.611 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -6.752 4.625 0.885 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.258 3.433 1.424 1.00 0.58 C ATOM 0 H PHE A 128 -7.947 6.153 5.938 1.00 0.39 H new ATOM 0 HA PHE A 128 -5.732 7.132 4.267 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -8.746 7.169 3.960 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -7.643 7.956 2.848 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.591 4.644 4.252 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -6.509 6.723 1.177 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.329 2.543 3.015 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.244 4.619 -0.068 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.122 2.500 0.898 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.431 8.841 6.507 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.378 10.125 7.182 1.00 0.63 C ATOM 1963 C GLU A 129 -5.126 10.877 6.753 1.00 0.64 C ATOM 1964 O GLU A 129 -4.008 10.515 7.128 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.391 9.929 8.700 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.301 11.225 9.486 1.00 1.58 C ATOM 1967 CD GLU A 129 -6.246 10.994 10.978 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -5.196 10.533 11.473 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -7.248 11.277 11.668 1.00 3.00 O ATOM 0 H GLU A 129 -6.180 8.049 7.099 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.255 10.710 6.906 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.305 9.407 8.982 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.557 9.286 8.981 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -5.413 11.775 9.174 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.162 11.850 9.250 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.321 11.908 5.953 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.223 12.684 5.416 1.00 0.92 C ATOM 1978 C ALA A 130 -4.599 14.154 5.383 1.00 1.47 C ATOM 1979 O ALA A 130 -3.859 14.979 5.959 1.00 1.77 O ATOM 1980 CB ALA A 130 -3.860 12.190 4.025 1.00 0.97 C ATOM 1981 OXT ALA A 130 -5.659 14.475 4.811 1.00 2.26 O ATOM 0 H ALA A 130 -6.243 12.229 5.659 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.351 12.562 6.059 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.033 12.782 3.633 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -3.564 11.142 4.077 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -4.723 12.291 3.366 1.00 0.97 H new TER 1987 ALA A 130