USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1029 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 109 LYS NZ :NH3+ -116:sc= 2.46 (180deg=-0.00833) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.892 K(o=3.4,f=-7.6!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.29) USER MOD Single : A 14 HIS : no HE2:sc= -1 K(o=-1,f=-8.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 28 MET CE :methyl -123:sc= -0.227 (180deg=-3.02!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0759 USER MOD Single : A 32 MET CE :methyl 141:sc= -0.641 (180deg=-3.31!) USER MOD Single : A 36 GLN : amide:sc= -0.851! K(o=-0.85!,f=-0.31) USER MOD Single : A 38 MET CE :methyl -154:sc= -0.604 (180deg=-1.97!) USER MOD Single : A 42 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.8!) USER MOD Single : A 43 THR OG1 : rot -83:sc= 1.15 USER MOD Single : A 52 SER OG : rot 53:sc= 1.27 USER MOD Single : A 54 HIS : no HD1:sc= 0.367 K(o=0.37,f=-4.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.109 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 75 HIS : no HD1:sc= -2.03 K(o=-2,f=-0.38) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.615 K(o=-0.62,f=-0.057) USER MOD Single : A 84 SER OG : rot 76:sc= 0.819 USER MOD Single : A 85 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -175:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1 K(o=-1,f=-6.6!) USER MOD Single : A 95 TYR OH : rot 92:sc= 1.25 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -160:sc= -1.02 USER MOD Single : A 101 GLN : amide:sc= -0.705! C(o=-0.7!,f=-0.72!) USER MOD Single : A 104 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.4) USER MOD Single : A 105 SER OG : rot 82:sc= 0.756 USER MOD Single : A 106 LYS NZ :NH3+ 145:sc= 1.88 (180deg=1.21) USER MOD Single : A 111 GLN : amide:sc= -1.75! K(o=-1.8!,f=-0.33) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.053) USER MOD Single : A 126 SER OG : rot 68:sc= 1.3 USER MOD Single : A 127 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.12) USER MOD Single : A 128 GLN : amide:sc= 1.1 K(o=1.1,f=-0.034) USER MOD Single : A 129 GLN : amide:sc= -0.336! X(o=-0.34!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.376 -6.148 11.563 1.00 0.00 N ATOM 2 CA GLY A 1 -26.199 -7.169 10.503 1.00 0.00 C ATOM 3 C GLY A 1 -25.880 -6.540 9.163 1.00 0.00 C ATOM 4 O GLY A 1 -25.662 -5.330 9.082 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.734 -6.354 12.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.159 -5.207 11.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.359 -6.166 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.396 -7.850 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.107 -7.765 10.417 1.00 0.00 H new ATOM 10 N SER A 2 -25.841 -7.370 8.120 1.00 0.00 N ATOM 11 CA SER A 2 -25.550 -6.923 6.754 1.00 0.00 C ATOM 12 C SER A 2 -24.158 -6.286 6.661 1.00 0.00 C ATOM 13 O SER A 2 -23.866 -5.525 5.737 1.00 0.00 O ATOM 14 CB SER A 2 -26.623 -5.942 6.269 1.00 0.00 C ATOM 15 OG SER A 2 -27.927 -6.420 6.561 1.00 0.00 O ATOM 0 H SER A 2 -26.010 -8.373 8.197 1.00 0.00 H new ATOM 0 HA SER A 2 -25.561 -7.800 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.474 -4.972 6.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.521 -5.790 5.194 1.00 0.00 H new ATOM 0 HG SER A 2 -28.591 -5.774 6.242 1.00 0.00 H new ATOM 21 N THR A 3 -23.299 -6.623 7.608 1.00 0.00 N ATOM 22 CA THR A 3 -21.962 -6.055 7.683 1.00 0.00 C ATOM 23 C THR A 3 -21.047 -6.670 6.632 1.00 0.00 C ATOM 24 O THR A 3 -20.019 -6.096 6.268 1.00 0.00 O ATOM 25 CB THR A 3 -21.373 -6.291 9.080 1.00 0.00 C ATOM 26 OG1 THR A 3 -22.421 -6.714 9.968 1.00 0.00 O ATOM 27 CG2 THR A 3 -20.721 -5.025 9.617 1.00 0.00 C ATOM 0 H THR A 3 -23.507 -7.296 8.345 1.00 0.00 H new ATOM 0 HA THR A 3 -22.036 -4.984 7.492 1.00 0.00 H new ATOM 0 HB THR A 3 -20.607 -7.064 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.050 -6.868 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.311 -5.219 10.608 1.00 0.00 H new ATOM 0 HG22 THR A 3 -19.919 -4.717 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.465 -4.231 9.681 1.00 0.00 H new ATOM 35 N GLU A 4 -21.449 -7.830 6.123 1.00 0.00 N ATOM 36 CA GLU A 4 -20.659 -8.563 5.140 1.00 0.00 C ATOM 37 C GLU A 4 -20.566 -7.815 3.817 1.00 0.00 C ATOM 38 O GLU A 4 -19.754 -8.162 2.969 1.00 0.00 O ATOM 39 CB GLU A 4 -21.239 -9.957 4.900 1.00 0.00 C ATOM 40 CG GLU A 4 -22.754 -10.017 4.975 1.00 0.00 C ATOM 41 CD GLU A 4 -23.241 -10.480 6.328 1.00 0.00 C ATOM 42 OE1 GLU A 4 -23.246 -9.660 7.269 1.00 0.00 O ATOM 43 OE2 GLU A 4 -23.622 -11.662 6.455 1.00 0.00 O ATOM 0 H GLU A 4 -22.325 -8.286 6.378 1.00 0.00 H new ATOM 0 HA GLU A 4 -19.654 -8.659 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.920 -10.308 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -20.822 -10.645 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.166 -9.031 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.128 -10.693 4.206 1.00 0.00 H new ATOM 50 N LYS A 5 -21.382 -6.787 3.641 1.00 0.00 N ATOM 51 CA LYS A 5 -21.334 -5.998 2.421 1.00 0.00 C ATOM 52 C LYS A 5 -20.402 -4.824 2.621 1.00 0.00 C ATOM 53 O LYS A 5 -19.707 -4.403 1.702 1.00 0.00 O ATOM 54 CB LYS A 5 -22.733 -5.525 1.990 1.00 0.00 C ATOM 55 CG LYS A 5 -23.343 -4.433 2.868 1.00 0.00 C ATOM 56 CD LYS A 5 -23.095 -3.041 2.300 1.00 0.00 C ATOM 57 CE LYS A 5 -24.278 -2.539 1.488 1.00 0.00 C ATOM 58 NZ LYS A 5 -23.850 -1.654 0.369 1.00 0.00 N ATOM 0 H LYS A 5 -22.079 -6.482 4.321 1.00 0.00 H new ATOM 0 HA LYS A 5 -20.954 -6.628 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -22.676 -5.157 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.405 -6.383 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.416 -4.600 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -22.921 -4.496 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -22.895 -2.347 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -22.205 -3.059 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -24.830 -3.389 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -24.961 -1.995 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -24.686 -1.333 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -23.346 -0.829 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -23.219 -2.181 -0.268 1.00 0.00 H new ATOM 72 N GLN A 6 -20.379 -4.315 3.840 1.00 0.00 N ATOM 73 CA GLN A 6 -19.494 -3.226 4.182 1.00 0.00 C ATOM 74 C GLN A 6 -18.065 -3.723 4.176 1.00 0.00 C ATOM 75 O GLN A 6 -17.159 -3.032 3.724 1.00 0.00 O ATOM 76 CB GLN A 6 -19.846 -2.664 5.557 1.00 0.00 C ATOM 77 CG GLN A 6 -20.986 -1.661 5.535 1.00 0.00 C ATOM 78 CD GLN A 6 -20.500 -0.235 5.350 1.00 0.00 C ATOM 79 OE1 GLN A 6 -20.343 0.237 4.226 1.00 0.00 O ATOM 80 NE2 GLN A 6 -20.270 0.463 6.452 1.00 0.00 N ATOM 0 H GLN A 6 -20.966 -4.642 4.608 1.00 0.00 H new ATOM 0 HA GLN A 6 -19.607 -2.430 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.112 -3.488 6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.963 -2.187 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -21.674 -1.915 4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -21.547 -1.733 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -20.413 0.034 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.950 1.429 6.386 1.00 0.00 H new ATOM 89 N LEU A 7 -17.878 -4.947 4.645 1.00 0.00 N ATOM 90 CA LEU A 7 -16.539 -5.510 4.731 1.00 0.00 C ATOM 91 C LEU A 7 -16.080 -6.046 3.379 1.00 0.00 C ATOM 92 O LEU A 7 -14.907 -5.946 3.047 1.00 0.00 O ATOM 93 CB LEU A 7 -16.452 -6.596 5.818 1.00 0.00 C ATOM 94 CG LEU A 7 -16.906 -8.006 5.419 1.00 0.00 C ATOM 95 CD1 LEU A 7 -15.718 -8.857 4.991 1.00 0.00 C ATOM 96 CD2 LEU A 7 -17.635 -8.668 6.577 1.00 0.00 C ATOM 0 H LEU A 7 -18.625 -5.562 4.968 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.863 -4.705 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.418 -6.655 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.051 -6.274 6.670 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.587 -7.920 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.065 -9.852 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.226 -8.392 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.011 -8.937 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.953 -9.668 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.967 -8.737 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.509 -8.074 6.844 1.00 0.00 H new ATOM 108 N GLU A 8 -17.007 -6.586 2.591 1.00 0.00 N ATOM 109 CA GLU A 8 -16.651 -7.179 1.303 1.00 0.00 C ATOM 110 C GLU A 8 -16.408 -6.105 0.252 1.00 0.00 C ATOM 111 O GLU A 8 -15.556 -6.266 -0.623 1.00 0.00 O ATOM 112 CB GLU A 8 -17.733 -8.141 0.815 1.00 0.00 C ATOM 113 CG GLU A 8 -17.176 -9.392 0.151 1.00 0.00 C ATOM 114 CD GLU A 8 -17.733 -9.608 -1.241 1.00 0.00 C ATOM 115 OE1 GLU A 8 -17.193 -9.028 -2.207 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.720 -10.360 -1.379 1.00 0.00 O ATOM 0 H GLU A 8 -18.001 -6.626 2.818 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.728 -7.740 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.356 -8.434 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.379 -7.621 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.090 -9.317 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.405 -10.260 0.769 1.00 0.00 H new ATOM 123 N ALA A 9 -17.133 -4.995 0.352 1.00 0.00 N ATOM 124 CA ALA A 9 -16.981 -3.916 -0.607 1.00 0.00 C ATOM 125 C ALA A 9 -15.608 -3.297 -0.451 1.00 0.00 C ATOM 126 O ALA A 9 -14.936 -2.963 -1.427 1.00 0.00 O ATOM 127 CB ALA A 9 -18.064 -2.870 -0.417 1.00 0.00 C ATOM 0 H ALA A 9 -17.825 -4.824 1.082 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.081 -4.318 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.930 -2.071 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.042 -3.330 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.998 -2.457 0.590 1.00 0.00 H new ATOM 133 N ILE A 10 -15.183 -3.180 0.794 1.00 0.00 N ATOM 134 CA ILE A 10 -13.877 -2.635 1.091 1.00 0.00 C ATOM 135 C ILE A 10 -12.821 -3.739 1.115 1.00 0.00 C ATOM 136 O ILE A 10 -11.626 -3.464 1.211 1.00 0.00 O ATOM 137 CB ILE A 10 -13.873 -1.853 2.418 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.151 -2.774 3.604 1.00 0.00 C ATOM 139 CG2 ILE A 10 -14.893 -0.728 2.368 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.121 -2.671 4.696 1.00 0.00 C ATOM 0 H ILE A 10 -15.725 -3.456 1.613 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.629 -1.933 0.295 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.881 -1.424 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.132 -2.537 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.194 -3.805 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.880 -0.183 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.645 -0.048 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.887 -1.145 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.381 -3.352 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.141 -2.937 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.094 -1.649 5.075 1.00 0.00 H new ATOM 152 N ASP A 11 -13.268 -4.988 1.021 1.00 0.00 N ATOM 153 CA ASP A 11 -12.354 -6.123 0.890 1.00 0.00 C ATOM 154 C ASP A 11 -11.840 -6.188 -0.534 1.00 0.00 C ATOM 155 O ASP A 11 -10.713 -6.591 -0.780 1.00 0.00 O ATOM 156 CB ASP A 11 -13.035 -7.443 1.261 1.00 0.00 C ATOM 157 CG ASP A 11 -12.190 -8.286 2.195 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.374 -7.712 2.951 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.337 -9.529 2.176 1.00 0.00 O ATOM 0 H ASP A 11 -14.256 -5.242 1.033 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.524 -5.976 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.995 -7.233 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.243 -8.009 0.353 1.00 0.00 H new ATOM 164 N GLN A 12 -12.683 -5.777 -1.470 1.00 0.00 N ATOM 165 CA GLN A 12 -12.274 -5.602 -2.851 1.00 0.00 C ATOM 166 C GLN A 12 -11.322 -4.412 -2.964 1.00 0.00 C ATOM 167 O GLN A 12 -10.557 -4.299 -3.921 1.00 0.00 O ATOM 168 CB GLN A 12 -13.493 -5.393 -3.743 1.00 0.00 C ATOM 169 CG GLN A 12 -14.234 -6.680 -4.050 1.00 0.00 C ATOM 170 CD GLN A 12 -13.384 -7.665 -4.826 1.00 0.00 C ATOM 171 OE1 GLN A 12 -13.012 -7.416 -5.972 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.064 -8.791 -4.206 1.00 0.00 N ATOM 0 H GLN A 12 -13.663 -5.557 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.755 -6.502 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.175 -4.695 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.176 -4.931 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.559 -7.141 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.133 -6.451 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.392 -8.961 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.490 -9.488 -4.679 1.00 0.00 H new ATOM 181 N LEU A 13 -11.380 -3.526 -1.980 1.00 0.00 N ATOM 182 CA LEU A 13 -10.398 -2.460 -1.865 1.00 0.00 C ATOM 183 C LEU A 13 -9.130 -3.025 -1.244 1.00 0.00 C ATOM 184 O LEU A 13 -8.021 -2.697 -1.656 1.00 0.00 O ATOM 185 CB LEU A 13 -10.947 -1.300 -1.032 1.00 0.00 C ATOM 186 CG LEU A 13 -12.282 -0.729 -1.519 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.770 0.350 -0.571 1.00 0.00 C ATOM 188 CD2 LEU A 13 -12.146 -0.181 -2.932 1.00 0.00 C ATOM 0 H LEU A 13 -12.095 -3.525 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.171 -2.067 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.067 -1.637 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.208 -0.499 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.018 -1.533 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.720 0.747 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.906 -0.074 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.035 1.154 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.105 0.220 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.398 0.611 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.838 -0.982 -3.605 1.00 0.00 H new ATOM 200 N HIS A 14 -9.308 -3.909 -0.264 1.00 0.00 N ATOM 201 CA HIS A 14 -8.194 -4.666 0.305 1.00 0.00 C ATOM 202 C HIS A 14 -7.533 -5.487 -0.795 1.00 0.00 C ATOM 203 O HIS A 14 -6.340 -5.759 -0.753 1.00 0.00 O ATOM 204 CB HIS A 14 -8.674 -5.611 1.416 1.00 0.00 C ATOM 205 CG HIS A 14 -9.173 -4.925 2.649 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.107 -5.491 3.489 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.866 -3.723 3.190 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.354 -4.670 4.488 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.614 -3.586 4.335 1.00 0.00 N ATOM 0 H HIS A 14 -10.215 -4.119 0.153 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.484 -3.960 0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.471 -6.241 1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.852 -6.272 1.692 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.540 -6.405 3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.163 -3.004 2.795 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.046 -4.852 5.297 1.00 0.00 H new ATOM 218 N LEU A 15 -8.345 -5.877 -1.767 1.00 0.00 N ATOM 219 CA LEU A 15 -7.889 -6.617 -2.931 1.00 0.00 C ATOM 220 C LEU A 15 -6.880 -5.803 -3.723 1.00 0.00 C ATOM 221 O LEU A 15 -5.780 -6.270 -4.009 1.00 0.00 O ATOM 222 CB LEU A 15 -9.090 -6.958 -3.819 1.00 0.00 C ATOM 223 CG LEU A 15 -9.468 -8.437 -3.927 1.00 0.00 C ATOM 224 CD1 LEU A 15 -9.436 -8.886 -5.373 1.00 0.00 C ATOM 225 CD2 LEU A 15 -8.545 -9.306 -3.093 1.00 0.00 C ATOM 0 H LEU A 15 -9.347 -5.686 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.405 -7.535 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.956 -6.412 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.888 -6.584 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.481 -8.549 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.707 -9.940 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.145 -8.295 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.433 -8.746 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.841 -10.350 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.519 -9.185 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.611 -9.008 -2.047 1.00 0.00 H new ATOM 237 N GLU A 16 -7.257 -4.575 -4.058 1.00 0.00 N ATOM 238 CA GLU A 16 -6.372 -3.683 -4.792 1.00 0.00 C ATOM 239 C GLU A 16 -5.193 -3.275 -3.925 1.00 0.00 C ATOM 240 O GLU A 16 -4.104 -3.001 -4.424 1.00 0.00 O ATOM 241 CB GLU A 16 -7.130 -2.445 -5.263 1.00 0.00 C ATOM 242 CG GLU A 16 -6.591 -1.866 -6.559 1.00 0.00 C ATOM 243 CD GLU A 16 -7.664 -1.684 -7.608 1.00 0.00 C ATOM 244 OE1 GLU A 16 -8.631 -2.472 -7.626 1.00 0.00 O ATOM 245 OE2 GLU A 16 -7.546 -0.744 -8.422 1.00 0.00 O ATOM 0 H GLU A 16 -8.168 -4.176 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.997 -4.215 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.181 -2.701 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.084 -1.682 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.122 -0.904 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.814 -2.523 -6.950 1.00 0.00 H new ATOM 252 N TYR A 17 -5.412 -3.256 -2.621 1.00 0.00 N ATOM 253 CA TYR A 17 -4.345 -2.965 -1.682 1.00 0.00 C ATOM 254 C TYR A 17 -3.339 -4.110 -1.714 1.00 0.00 C ATOM 255 O TYR A 17 -2.139 -3.893 -1.818 1.00 0.00 O ATOM 256 CB TYR A 17 -4.908 -2.771 -0.268 1.00 0.00 C ATOM 257 CG TYR A 17 -4.022 -1.962 0.663 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.729 -2.372 0.962 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.485 -0.794 1.256 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.924 -1.644 1.820 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.689 -0.061 2.118 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.412 -0.491 2.396 1.00 0.00 C ATOM 263 OH TYR A 17 -1.618 0.234 3.259 1.00 0.00 O ATOM 0 H TYR A 17 -6.318 -3.439 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.848 -2.038 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.878 -2.279 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.080 -3.751 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.344 -3.277 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.486 -0.451 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.920 -1.977 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.068 0.844 2.570 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.112 1.019 3.576 1.00 0.00 H new ATOM 273 N ALA A 18 -3.854 -5.334 -1.689 1.00 0.00 N ATOM 274 CA ALA A 18 -3.014 -6.526 -1.710 1.00 0.00 C ATOM 275 C ALA A 18 -2.405 -6.756 -3.090 1.00 0.00 C ATOM 276 O ALA A 18 -1.489 -7.560 -3.246 1.00 0.00 O ATOM 277 CB ALA A 18 -3.819 -7.751 -1.288 1.00 0.00 C ATOM 0 H ALA A 18 -4.855 -5.527 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.201 -6.368 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.178 -8.632 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.202 -7.605 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.653 -7.893 -1.975 1.00 0.00 H new ATOM 283 N LYS A 19 -2.931 -6.063 -4.093 1.00 0.00 N ATOM 284 CA LYS A 19 -2.425 -6.188 -5.454 1.00 0.00 C ATOM 285 C LYS A 19 -1.483 -5.044 -5.808 1.00 0.00 C ATOM 286 O LYS A 19 -0.856 -5.052 -6.865 1.00 0.00 O ATOM 287 CB LYS A 19 -3.586 -6.223 -6.450 1.00 0.00 C ATOM 288 CG LYS A 19 -3.720 -7.547 -7.184 1.00 0.00 C ATOM 289 CD LYS A 19 -4.028 -8.688 -6.226 1.00 0.00 C ATOM 290 CE LYS A 19 -3.104 -9.873 -6.459 1.00 0.00 C ATOM 291 NZ LYS A 19 -3.578 -10.739 -7.570 1.00 0.00 N ATOM 0 H LYS A 19 -3.707 -5.409 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.865 -7.122 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.515 -6.016 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.451 -5.425 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.512 -7.472 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.796 -7.761 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.924 -8.340 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.064 -9.002 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.101 -9.511 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.033 -10.462 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.920 -11.534 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.525 -11.105 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.621 -10.184 -8.448 1.00 0.00 H new ATOM 305 N ARG A 20 -1.396 -4.049 -4.938 1.00 0.00 N ATOM 306 CA ARG A 20 -0.518 -2.912 -5.185 1.00 0.00 C ATOM 307 C ARG A 20 0.555 -2.797 -4.113 1.00 0.00 C ATOM 308 O ARG A 20 1.718 -2.541 -4.414 1.00 0.00 O ATOM 309 CB ARG A 20 -1.323 -1.616 -5.274 1.00 0.00 C ATOM 310 CG ARG A 20 -2.163 -1.512 -6.534 1.00 0.00 C ATOM 311 CD ARG A 20 -2.771 -0.130 -6.689 1.00 0.00 C ATOM 312 NE ARG A 20 -2.496 0.437 -8.006 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.700 1.484 -8.213 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.124 2.101 -7.189 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.484 1.925 -9.444 1.00 0.00 N ATOM 0 H ARG A 20 -1.917 -4.004 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.022 -3.080 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.976 -1.542 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.639 -0.769 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.545 -1.738 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.957 -2.258 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.849 -0.187 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.374 0.531 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.940 0.005 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.290 1.774 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.515 2.903 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.928 1.462 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.874 2.727 -9.598 1.00 0.00 H new ATOM 329 N ALA A 21 0.171 -3.006 -2.865 1.00 0.00 N ATOM 330 CA ALA A 21 1.119 -2.951 -1.764 1.00 0.00 C ATOM 331 C ALA A 21 2.017 -4.179 -1.768 1.00 0.00 C ATOM 332 O ALA A 21 3.024 -4.219 -1.075 1.00 0.00 O ATOM 333 CB ALA A 21 0.394 -2.841 -0.438 1.00 0.00 C ATOM 0 H ALA A 21 -0.788 -3.215 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 21 1.739 -2.064 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.122 -2.801 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.210 -1.934 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.252 -3.709 -0.303 1.00 0.00 H new ATOM 339 N ALA A 22 1.656 -5.178 -2.569 1.00 0.00 N ATOM 340 CA ALA A 22 2.416 -6.420 -2.619 1.00 0.00 C ATOM 341 C ALA A 22 3.743 -6.222 -3.364 1.00 0.00 C ATOM 342 O ALA A 22 4.808 -6.461 -2.791 1.00 0.00 O ATOM 343 CB ALA A 22 1.596 -7.548 -3.236 1.00 0.00 C ATOM 0 H ALA A 22 0.846 -5.151 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 22 2.649 -6.710 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.192 -8.461 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.699 -7.715 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.310 -7.276 -4.252 1.00 0.00 H new ATOM 349 N PRO A 23 3.723 -5.776 -4.642 1.00 0.00 N ATOM 350 CA PRO A 23 4.960 -5.480 -5.369 1.00 0.00 C ATOM 351 C PRO A 23 5.691 -4.293 -4.749 1.00 0.00 C ATOM 352 O PRO A 23 6.916 -4.206 -4.796 1.00 0.00 O ATOM 353 CB PRO A 23 4.491 -5.156 -6.792 1.00 0.00 C ATOM 354 CG PRO A 23 3.062 -4.763 -6.651 1.00 0.00 C ATOM 355 CD PRO A 23 2.527 -5.545 -5.487 1.00 0.00 C ATOM 0 HA PRO A 23 5.667 -6.309 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.080 -4.349 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.599 -6.019 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.968 -3.691 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.505 -4.988 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.758 -4.989 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.076 -6.484 -5.808 1.00 0.00 H new ATOM 363 N PHE A 24 4.922 -3.396 -4.145 1.00 0.00 N ATOM 364 CA PHE A 24 5.485 -2.245 -3.463 1.00 0.00 C ATOM 365 C PHE A 24 6.253 -2.685 -2.225 1.00 0.00 C ATOM 366 O PHE A 24 7.343 -2.189 -1.959 1.00 0.00 O ATOM 367 CB PHE A 24 4.377 -1.262 -3.082 1.00 0.00 C ATOM 368 CG PHE A 24 4.867 0.106 -2.702 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.136 0.538 -3.057 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.049 0.963 -1.988 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.576 1.797 -2.706 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.485 2.222 -1.635 1.00 0.00 C ATOM 373 CZ PHE A 24 5.749 2.642 -1.994 1.00 0.00 C ATOM 0 H PHE A 24 3.904 -3.447 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 24 6.178 -1.744 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.687 -1.168 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.811 -1.677 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.787 -0.119 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.058 0.642 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.567 2.121 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.836 2.881 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.090 3.629 -1.719 1.00 0.00 H new ATOM 383 N ASN A 25 5.697 -3.635 -1.485 1.00 0.00 N ATOM 384 CA ASN A 25 6.356 -4.138 -0.284 1.00 0.00 C ATOM 385 C ASN A 25 7.591 -4.919 -0.669 1.00 0.00 C ATOM 386 O ASN A 25 8.590 -4.910 0.039 1.00 0.00 O ATOM 387 CB ASN A 25 5.410 -5.015 0.541 1.00 0.00 C ATOM 388 CG ASN A 25 6.054 -5.548 1.810 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.478 -6.704 1.868 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.124 -4.717 2.839 1.00 0.00 N ATOM 0 H ASN A 25 4.798 -4.071 -1.692 1.00 0.00 H new ATOM 0 HA ASN A 25 6.644 -3.286 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.524 -4.437 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.074 -5.853 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.540 -5.027 3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.762 -3.767 2.753 1.00 0.00 H new ATOM 397 N ASN A 26 7.526 -5.545 -1.826 1.00 0.00 N ATOM 398 CA ASN A 26 8.636 -6.341 -2.333 1.00 0.00 C ATOM 399 C ASN A 26 9.787 -5.416 -2.696 1.00 0.00 C ATOM 400 O ASN A 26 10.958 -5.730 -2.479 1.00 0.00 O ATOM 401 CB ASN A 26 8.196 -7.155 -3.552 1.00 0.00 C ATOM 402 CG ASN A 26 7.787 -8.566 -3.188 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.599 -9.492 -3.231 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.523 -8.744 -2.831 1.00 0.00 N ATOM 0 H ASN A 26 6.712 -5.520 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 26 8.964 -7.039 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.361 -6.652 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.011 -7.191 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.191 -9.675 -2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.883 -7.950 -2.808 1.00 0.00 H new ATOM 411 N TRP A 27 9.427 -4.263 -3.232 1.00 0.00 N ATOM 412 CA TRP A 27 10.380 -3.209 -3.546 1.00 0.00 C ATOM 413 C TRP A 27 10.927 -2.606 -2.255 1.00 0.00 C ATOM 414 O TRP A 27 12.136 -2.430 -2.096 1.00 0.00 O ATOM 415 CB TRP A 27 9.665 -2.141 -4.381 1.00 0.00 C ATOM 416 CG TRP A 27 10.514 -0.979 -4.778 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.343 -0.896 -5.859 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.600 0.280 -4.107 1.00 0.00 C ATOM 419 NE1 TRP A 27 11.931 0.346 -5.906 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.495 1.082 -4.833 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.005 0.805 -2.957 1.00 0.00 C ATOM 422 CZ2 TRP A 27 11.807 2.381 -4.452 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.317 2.093 -2.577 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.214 2.868 -3.322 1.00 0.00 C ATOM 0 H TRP A 27 8.462 -4.029 -3.463 1.00 0.00 H new ATOM 0 HA TRP A 27 11.218 -3.613 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.272 -2.610 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.810 -1.771 -3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.512 -1.689 -6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.584 0.667 -6.621 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.313 0.213 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.493 2.984 -5.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 9.862 2.511 -1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.442 3.872 -2.996 1.00 0.00 H new ATOM 435 N MET A 28 10.012 -2.307 -1.332 1.00 0.00 N ATOM 436 CA MET A 28 10.359 -1.755 -0.026 1.00 0.00 C ATOM 437 C MET A 28 11.359 -2.633 0.718 1.00 0.00 C ATOM 438 O MET A 28 12.145 -2.135 1.525 1.00 0.00 O ATOM 439 CB MET A 28 9.102 -1.592 0.829 1.00 0.00 C ATOM 440 CG MET A 28 8.228 -0.430 0.403 1.00 0.00 C ATOM 441 SD MET A 28 7.692 0.574 1.796 1.00 0.00 S ATOM 442 CE MET A 28 7.454 2.143 0.981 1.00 0.00 C ATOM 0 H MET A 28 9.010 -2.441 -1.471 1.00 0.00 H new ATOM 0 HA MET A 28 10.822 -0.784 -0.201 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.519 -2.511 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.395 -1.453 1.870 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.777 0.195 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.353 -0.811 -0.124 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.069 2.902 1.465 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.742 2.056 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.405 2.431 1.046 1.00 0.00 H new ATOM 452 N GLU A 29 11.314 -3.934 0.464 1.00 0.00 N ATOM 453 CA GLU A 29 12.234 -4.861 1.108 1.00 0.00 C ATOM 454 C GLU A 29 13.637 -4.711 0.532 1.00 0.00 C ATOM 455 O GLU A 29 14.556 -4.281 1.228 1.00 0.00 O ATOM 456 CB GLU A 29 11.765 -6.313 0.953 1.00 0.00 C ATOM 457 CG GLU A 29 10.415 -6.609 1.598 1.00 0.00 C ATOM 458 CD GLU A 29 10.370 -6.296 3.083 1.00 0.00 C ATOM 459 OE1 GLU A 29 10.414 -5.108 3.454 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.260 -7.244 3.889 1.00 0.00 O ATOM 0 H GLU A 29 10.654 -4.369 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 29 12.254 -4.617 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.707 -6.552 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.515 -6.973 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.644 -6.030 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.174 -7.661 1.449 1.00 0.00 H new ATOM 467 N SER A 30 13.783 -5.019 -0.752 1.00 0.00 N ATOM 468 CA SER A 30 15.093 -5.069 -1.387 1.00 0.00 C ATOM 469 C SER A 30 15.789 -3.711 -1.360 1.00 0.00 C ATOM 470 O SER A 30 16.991 -3.625 -1.118 1.00 0.00 O ATOM 471 CB SER A 30 14.946 -5.555 -2.827 1.00 0.00 C ATOM 472 OG SER A 30 13.793 -6.367 -2.971 1.00 0.00 O ATOM 0 H SER A 30 13.006 -5.239 -1.375 1.00 0.00 H new ATOM 0 HA SER A 30 15.714 -5.766 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.879 -4.699 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.832 -6.120 -3.117 1.00 0.00 H new ATOM 0 HG SER A 30 13.717 -6.666 -3.901 1.00 0.00 H new ATOM 478 N ALA A 31 15.027 -2.649 -1.585 1.00 0.00 N ATOM 479 CA ALA A 31 15.602 -1.317 -1.683 1.00 0.00 C ATOM 480 C ALA A 31 16.048 -0.791 -0.327 1.00 0.00 C ATOM 481 O ALA A 31 17.200 -0.391 -0.155 1.00 0.00 O ATOM 482 CB ALA A 31 14.613 -0.359 -2.308 1.00 0.00 C ATOM 0 H ALA A 31 14.014 -2.685 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 31 16.484 -1.391 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.059 0.633 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.352 -0.706 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.714 -0.312 -1.694 1.00 0.00 H new ATOM 488 N MET A 32 15.139 -0.794 0.641 1.00 0.00 N ATOM 489 CA MET A 32 15.427 -0.229 1.954 1.00 0.00 C ATOM 490 C MET A 32 16.535 -1.004 2.654 1.00 0.00 C ATOM 491 O MET A 32 17.408 -0.410 3.286 1.00 0.00 O ATOM 492 CB MET A 32 14.171 -0.212 2.824 1.00 0.00 C ATOM 493 CG MET A 32 14.218 0.828 3.929 1.00 0.00 C ATOM 494 SD MET A 32 14.097 0.099 5.573 1.00 0.00 S ATOM 495 CE MET A 32 13.178 1.372 6.434 1.00 0.00 C ATOM 0 H MET A 32 14.200 -1.180 0.542 1.00 0.00 H new ATOM 0 HA MET A 32 15.765 0.797 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.303 -0.022 2.193 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.032 -1.198 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 32 15.148 1.392 3.853 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.403 1.538 3.790 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.459 0.908 7.110 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.866 1.993 7.007 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.648 1.991 5.710 1.00 0.00 H new ATOM 505 N GLU A 33 16.510 -2.324 2.515 1.00 0.00 N ATOM 506 CA GLU A 33 17.488 -3.178 3.165 1.00 0.00 C ATOM 507 C GLU A 33 18.874 -2.931 2.586 1.00 0.00 C ATOM 508 O GLU A 33 19.865 -2.921 3.316 1.00 0.00 O ATOM 509 CB GLU A 33 17.098 -4.644 3.001 1.00 0.00 C ATOM 510 CG GLU A 33 16.149 -5.139 4.078 1.00 0.00 C ATOM 511 CD GLU A 33 16.767 -6.211 4.953 1.00 0.00 C ATOM 512 OE1 GLU A 33 17.504 -7.064 4.420 1.00 0.00 O ATOM 513 OE2 GLU A 33 16.520 -6.202 6.177 1.00 0.00 O ATOM 0 H GLU A 33 15.820 -2.825 1.955 1.00 0.00 H new ATOM 0 HA GLU A 33 17.509 -2.939 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.632 -4.781 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.000 -5.256 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.843 -4.299 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.247 -5.533 3.609 1.00 0.00 H new ATOM 520 N ASP A 34 18.935 -2.702 1.278 1.00 0.00 N ATOM 521 CA ASP A 34 20.208 -2.404 0.626 1.00 0.00 C ATOM 522 C ASP A 34 20.677 -1.014 1.016 1.00 0.00 C ATOM 523 O ASP A 34 21.869 -0.777 1.204 1.00 0.00 O ATOM 524 CB ASP A 34 20.082 -2.499 -0.899 1.00 0.00 C ATOM 525 CG ASP A 34 21.384 -2.176 -1.613 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.224 -3.086 -1.782 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.574 -1.004 -2.007 1.00 0.00 O ATOM 0 H ASP A 34 18.129 -2.716 0.654 1.00 0.00 H new ATOM 0 HA ASP A 34 20.939 -3.141 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.762 -3.505 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.305 -1.814 -1.239 1.00 0.00 H new ATOM 532 N LEU A 35 19.716 -0.108 1.169 1.00 0.00 N ATOM 533 CA LEU A 35 20.006 1.290 1.466 1.00 0.00 C ATOM 534 C LEU A 35 20.778 1.449 2.770 1.00 0.00 C ATOM 535 O LEU A 35 21.702 2.259 2.850 1.00 0.00 O ATOM 536 CB LEU A 35 18.711 2.102 1.531 1.00 0.00 C ATOM 537 CG LEU A 35 18.506 3.085 0.379 1.00 0.00 C ATOM 538 CD1 LEU A 35 18.842 2.428 -0.950 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.077 3.599 0.371 1.00 0.00 C ATOM 0 H LEU A 35 18.721 -0.320 1.091 1.00 0.00 H new ATOM 0 HA LEU A 35 20.633 1.666 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.868 1.412 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.694 2.657 2.469 1.00 0.00 H new ATOM 0 HG LEU A 35 19.178 3.931 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.690 3.143 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 35 19.883 2.104 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.195 1.565 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.946 4.298 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.390 2.762 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.868 4.107 1.313 1.00 0.00 H new ATOM 551 N GLN A 36 20.406 0.679 3.786 1.00 0.00 N ATOM 552 CA GLN A 36 21.063 0.783 5.086 1.00 0.00 C ATOM 553 C GLN A 36 22.318 -0.076 5.143 1.00 0.00 C ATOM 554 O GLN A 36 23.155 0.096 6.028 1.00 0.00 O ATOM 555 CB GLN A 36 20.123 0.397 6.228 1.00 0.00 C ATOM 556 CG GLN A 36 19.326 -0.878 6.001 1.00 0.00 C ATOM 557 CD GLN A 36 17.872 -0.695 6.375 1.00 0.00 C ATOM 558 OE1 GLN A 36 17.240 -1.581 6.946 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.333 0.475 6.070 1.00 0.00 N ATOM 0 H GLN A 36 19.662 -0.017 3.738 1.00 0.00 H new ATOM 0 HA GLN A 36 21.346 1.828 5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.710 0.283 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.426 1.218 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.399 -1.173 4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.756 -1.687 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.891 1.185 5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.360 0.666 6.309 1.00 0.00 H new ATOM 568 N ASP A 37 22.452 -0.989 4.197 1.00 0.00 N ATOM 569 CA ASP A 37 23.594 -1.893 4.177 1.00 0.00 C ATOM 570 C ASP A 37 24.836 -1.190 3.645 1.00 0.00 C ATOM 571 O ASP A 37 24.743 -0.267 2.834 1.00 0.00 O ATOM 572 CB ASP A 37 23.300 -3.129 3.328 1.00 0.00 C ATOM 573 CG ASP A 37 24.021 -4.359 3.842 1.00 0.00 C ATOM 574 OD1 ASP A 37 23.460 -5.058 4.711 1.00 0.00 O ATOM 575 OD2 ASP A 37 25.157 -4.625 3.396 1.00 0.00 O ATOM 0 H ASP A 37 21.788 -1.126 3.435 1.00 0.00 H new ATOM 0 HA ASP A 37 23.779 -2.208 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.226 -3.316 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 37 23.598 -2.939 2.297 1.00 0.00 H new ATOM 580 N MET A 38 25.997 -1.623 4.116 1.00 0.00 N ATOM 581 CA MET A 38 27.255 -1.074 3.646 1.00 0.00 C ATOM 582 C MET A 38 27.718 -1.832 2.417 1.00 0.00 C ATOM 583 O MET A 38 28.171 -2.973 2.508 1.00 0.00 O ATOM 584 CB MET A 38 28.322 -1.141 4.735 1.00 0.00 C ATOM 585 CG MET A 38 28.685 0.219 5.317 1.00 0.00 C ATOM 586 SD MET A 38 29.397 0.104 6.972 1.00 0.00 S ATOM 587 CE MET A 38 28.118 -0.817 7.823 1.00 0.00 C ATOM 0 H MET A 38 26.091 -2.352 4.823 1.00 0.00 H new ATOM 0 HA MET A 38 27.099 -0.027 3.388 1.00 0.00 H new ATOM 0 HB2 MET A 38 27.970 -1.788 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.220 -1.603 4.324 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.395 0.715 4.655 1.00 0.00 H new ATOM 0 HG3 MET A 38 27.793 0.844 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 38 28.152 -0.588 8.888 1.00 0.00 H new ATOM 0 HE2 MET A 38 27.143 -0.540 7.423 1.00 0.00 H new ATOM 0 HE3 MET A 38 28.280 -1.885 7.677 1.00 0.00 H new ATOM 597 N PHE A 39 27.579 -1.191 1.272 1.00 0.00 N ATOM 598 CA PHE A 39 27.946 -1.791 0.002 1.00 0.00 C ATOM 599 C PHE A 39 29.447 -2.047 -0.062 1.00 0.00 C ATOM 600 O PHE A 39 30.250 -1.250 0.432 1.00 0.00 O ATOM 601 CB PHE A 39 27.518 -0.880 -1.159 1.00 0.00 C ATOM 602 CG PHE A 39 28.338 0.378 -1.286 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.112 1.458 -0.447 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.340 0.480 -2.242 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.866 2.609 -0.557 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.097 1.630 -2.355 1.00 0.00 C ATOM 607 CZ PHE A 39 29.860 2.694 -1.511 1.00 0.00 C ATOM 0 H PHE A 39 27.210 -0.243 1.195 1.00 0.00 H new ATOM 0 HA PHE A 39 27.429 -2.747 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 39 27.585 -1.441 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.471 -0.607 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.336 1.398 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.530 -0.351 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.678 3.443 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.873 1.695 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.452 3.593 -1.596 1.00 0.00 H new ATOM 617 N ILE A 40 29.816 -3.170 -0.644 1.00 0.00 N ATOM 618 CA ILE A 40 31.207 -3.467 -0.909 1.00 0.00 C ATOM 619 C ILE A 40 31.412 -3.671 -2.406 1.00 0.00 C ATOM 620 O ILE A 40 30.609 -4.325 -3.073 1.00 0.00 O ATOM 621 CB ILE A 40 31.698 -4.702 -0.111 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.223 -4.728 -0.053 1.00 0.00 C ATOM 623 CG2 ILE A 40 31.169 -5.994 -0.712 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.827 -3.473 0.537 1.00 0.00 C ATOM 0 H ILE A 40 29.166 -3.896 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 40 31.804 -2.618 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 40 31.309 -4.620 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 40 33.541 -5.587 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 40 33.614 -4.871 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.531 -6.841 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 40 30.079 -5.983 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.517 -6.086 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.913 -3.562 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.539 -2.612 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.465 -3.339 1.556 1.00 0.00 H new ATOM 636 N VAL A 41 32.462 -3.069 -2.942 1.00 0.00 N ATOM 637 CA VAL A 41 32.765 -3.188 -4.356 1.00 0.00 C ATOM 638 C VAL A 41 34.180 -3.704 -4.540 1.00 0.00 C ATOM 639 O VAL A 41 35.021 -3.567 -3.652 1.00 0.00 O ATOM 640 CB VAL A 41 32.599 -1.844 -5.103 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.209 -1.272 -4.884 1.00 0.00 C ATOM 642 CG2 VAL A 41 33.666 -0.847 -4.676 1.00 0.00 C ATOM 0 H VAL A 41 33.119 -2.492 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 41 32.053 -3.894 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 41 32.724 -2.035 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.116 -0.327 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.464 -1.975 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.049 -1.103 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 41 33.526 0.089 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 33.584 -0.663 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 41 34.653 -1.252 -4.901 1.00 0.00 H new ATOM 652 N HIS A 42 34.429 -4.316 -5.682 1.00 0.00 N ATOM 653 CA HIS A 42 35.743 -4.861 -5.984 1.00 0.00 C ATOM 654 C HIS A 42 36.354 -4.134 -7.170 1.00 0.00 C ATOM 655 O HIS A 42 37.470 -3.623 -7.090 1.00 0.00 O ATOM 656 CB HIS A 42 35.647 -6.362 -6.273 1.00 0.00 C ATOM 657 CG HIS A 42 34.765 -7.108 -5.315 1.00 0.00 C ATOM 658 ND1 HIS A 42 33.390 -7.123 -5.419 1.00 0.00 N ATOM 659 CD2 HIS A 42 35.065 -7.849 -4.225 1.00 0.00 C ATOM 660 CE1 HIS A 42 32.884 -7.841 -4.437 1.00 0.00 C ATOM 661 NE2 HIS A 42 33.877 -8.294 -3.696 1.00 0.00 N ATOM 0 H HIS A 42 33.737 -4.450 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 42 36.386 -4.716 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 42 35.270 -6.504 -7.286 1.00 0.00 H new ATOM 0 HB3 HIS A 42 36.648 -6.793 -6.242 1.00 0.00 H new ATOM 0 HD1 HIS A 42 32.849 -6.651 -6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.054 -8.053 -3.841 1.00 0.00 H new ATOM 0 HE1 HIS A 42 31.834 -8.027 -4.267 1.00 0.00 H new ATOM 670 N THR A 43 35.612 -4.077 -8.265 1.00 0.00 N ATOM 671 CA THR A 43 36.068 -3.394 -9.462 1.00 0.00 C ATOM 672 C THR A 43 35.396 -2.030 -9.585 1.00 0.00 C ATOM 673 O THR A 43 34.402 -1.758 -8.906 1.00 0.00 O ATOM 674 CB THR A 43 35.768 -4.223 -10.725 1.00 0.00 C ATOM 675 OG1 THR A 43 34.358 -4.478 -10.827 1.00 0.00 O ATOM 676 CG2 THR A 43 36.526 -5.542 -10.697 1.00 0.00 C ATOM 0 H THR A 43 34.687 -4.498 -8.348 1.00 0.00 H new ATOM 0 HA THR A 43 37.147 -3.264 -9.376 1.00 0.00 H new ATOM 0 HB THR A 43 36.094 -3.650 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 43 34.125 -5.254 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 43 36.299 -6.111 -11.598 1.00 0.00 H new ATOM 0 HG22 THR A 43 37.597 -5.345 -10.652 1.00 0.00 H new ATOM 0 HG23 THR A 43 36.225 -6.116 -9.820 1.00 0.00 H new ATOM 684 N ILE A 44 35.923 -1.182 -10.465 1.00 0.00 N ATOM 685 CA ILE A 44 35.345 0.143 -10.696 1.00 0.00 C ATOM 686 C ILE A 44 33.975 0.005 -11.364 1.00 0.00 C ATOM 687 O ILE A 44 33.132 0.900 -11.285 1.00 0.00 O ATOM 688 CB ILE A 44 36.287 1.045 -11.553 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.856 1.076 -13.026 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.721 0.559 -11.447 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.241 2.390 -13.450 1.00 0.00 C ATOM 0 H ILE A 44 36.748 -1.386 -11.030 1.00 0.00 H new ATOM 0 HA ILE A 44 35.224 0.631 -9.729 1.00 0.00 H new ATOM 0 HB ILE A 44 36.217 2.059 -11.160 1.00 0.00 H new ATOM 0 HG12 ILE A 44 36.723 0.871 -13.654 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.138 0.275 -13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.367 1.197 -12.050 1.00 0.00 H new ATOM 0 HG22 ILE A 44 38.042 0.597 -10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 44 37.785 -0.467 -11.809 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.961 2.338 -14.502 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.354 2.588 -12.848 1.00 0.00 H new ATOM 0 HD13 ILE A 44 35.964 3.193 -13.306 1.00 0.00 H new ATOM 703 N GLU A 45 33.759 -1.144 -11.995 1.00 0.00 N ATOM 704 CA GLU A 45 32.515 -1.441 -12.678 1.00 0.00 C ATOM 705 C GLU A 45 31.348 -1.476 -11.696 1.00 0.00 C ATOM 706 O GLU A 45 30.328 -0.815 -11.901 1.00 0.00 O ATOM 707 CB GLU A 45 32.647 -2.785 -13.384 1.00 0.00 C ATOM 708 CG GLU A 45 33.250 -2.689 -14.773 1.00 0.00 C ATOM 709 CD GLU A 45 32.204 -2.666 -15.868 1.00 0.00 C ATOM 710 OE1 GLU A 45 31.005 -2.826 -15.560 1.00 0.00 O ATOM 711 OE2 GLU A 45 32.577 -2.493 -17.046 1.00 0.00 O ATOM 0 H GLU A 45 34.447 -1.895 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 45 32.314 -0.657 -13.408 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.264 -3.446 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 45 31.662 -3.245 -13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.858 -1.786 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.918 -3.535 -14.933 1.00 0.00 H new ATOM 718 N GLU A 46 31.516 -2.232 -10.617 1.00 0.00 N ATOM 719 CA GLU A 46 30.470 -2.373 -9.610 1.00 0.00 C ATOM 720 C GLU A 46 30.187 -1.043 -8.928 1.00 0.00 C ATOM 721 O GLU A 46 29.056 -0.767 -8.529 1.00 0.00 O ATOM 722 CB GLU A 46 30.865 -3.410 -8.559 1.00 0.00 C ATOM 723 CG GLU A 46 31.421 -4.696 -9.142 1.00 0.00 C ATOM 724 CD GLU A 46 32.436 -5.349 -8.233 1.00 0.00 C ATOM 725 OE1 GLU A 46 32.186 -5.426 -7.014 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.497 -5.774 -8.726 1.00 0.00 O ATOM 0 H GLU A 46 32.367 -2.757 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 46 29.567 -2.708 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.609 -2.973 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 46 29.992 -3.646 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 46 30.602 -5.392 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.884 -4.484 -10.106 1.00 0.00 H new ATOM 733 N ILE A 47 31.217 -0.218 -8.808 1.00 0.00 N ATOM 734 CA ILE A 47 31.077 1.079 -8.171 1.00 0.00 C ATOM 735 C ILE A 47 30.160 1.979 -8.999 1.00 0.00 C ATOM 736 O ILE A 47 29.393 2.768 -8.450 1.00 0.00 O ATOM 737 CB ILE A 47 32.467 1.742 -7.933 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.644 2.117 -6.455 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.686 2.964 -8.818 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.419 2.739 -5.820 1.00 0.00 C ATOM 0 H ILE A 47 32.158 -0.425 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 47 30.618 0.936 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 47 33.221 1.003 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.915 1.222 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.478 2.813 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.669 3.390 -8.614 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.628 2.669 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.918 3.708 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.629 2.973 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.158 3.654 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.586 2.038 -5.874 1.00 0.00 H new ATOM 752 N GLU A 48 30.215 1.826 -10.318 1.00 0.00 N ATOM 753 CA GLU A 48 29.358 2.596 -11.201 1.00 0.00 C ATOM 754 C GLU A 48 27.974 1.973 -11.257 1.00 0.00 C ATOM 755 O GLU A 48 26.974 2.672 -11.406 1.00 0.00 O ATOM 756 CB GLU A 48 29.957 2.677 -12.603 1.00 0.00 C ATOM 757 CG GLU A 48 31.040 3.733 -12.735 1.00 0.00 C ATOM 758 CD GLU A 48 30.488 5.147 -12.802 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.368 5.384 -12.308 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.187 6.038 -13.331 1.00 0.00 O ATOM 0 H GLU A 48 30.842 1.178 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 48 29.276 3.608 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 48 30.373 1.705 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.162 2.890 -13.318 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.721 3.655 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 48 31.625 3.535 -13.633 1.00 0.00 H new ATOM 767 N GLY A 49 27.924 0.657 -11.113 1.00 0.00 N ATOM 768 CA GLY A 49 26.657 -0.046 -11.144 1.00 0.00 C ATOM 769 C GLY A 49 25.829 0.260 -9.917 1.00 0.00 C ATOM 770 O GLY A 49 24.620 0.480 -10.003 1.00 0.00 O ATOM 0 H GLY A 49 28.740 0.061 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.103 0.237 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.836 -1.119 -11.206 1.00 0.00 H new ATOM 774 N LEU A 50 26.501 0.303 -8.775 1.00 0.00 N ATOM 775 CA LEU A 50 25.868 0.658 -7.517 1.00 0.00 C ATOM 776 C LEU A 50 25.237 2.043 -7.608 1.00 0.00 C ATOM 777 O LEU A 50 24.106 2.261 -7.173 1.00 0.00 O ATOM 778 CB LEU A 50 26.909 0.651 -6.403 1.00 0.00 C ATOM 779 CG LEU A 50 26.740 -0.425 -5.334 1.00 0.00 C ATOM 780 CD1 LEU A 50 25.326 -0.985 -5.333 1.00 0.00 C ATOM 781 CD2 LEU A 50 27.751 -1.540 -5.533 1.00 0.00 C ATOM 0 H LEU A 50 27.496 0.093 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 50 25.088 -0.072 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 50 27.894 0.534 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.896 1.625 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 50 26.919 0.039 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.238 -1.749 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.617 -0.182 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.109 -1.426 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.614 -2.297 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.606 -1.992 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.760 -1.133 -5.467 1.00 0.00 H new ATOM 793 N ILE A 51 25.985 2.970 -8.180 1.00 0.00 N ATOM 794 CA ILE A 51 25.517 4.345 -8.320 1.00 0.00 C ATOM 795 C ILE A 51 24.454 4.462 -9.411 1.00 0.00 C ATOM 796 O ILE A 51 23.509 5.234 -9.276 1.00 0.00 O ATOM 797 CB ILE A 51 26.680 5.320 -8.605 1.00 0.00 C ATOM 798 CG1 ILE A 51 27.719 5.224 -7.487 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.169 6.752 -8.734 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.952 6.059 -7.726 1.00 0.00 C ATOM 0 H ILE A 51 26.918 2.800 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 51 25.068 4.623 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 51 27.145 5.042 -9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 51 27.259 5.534 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.015 4.182 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.006 7.420 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.453 6.810 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 51 25.682 7.049 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.641 5.938 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 51 29.438 5.735 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.669 7.108 -7.814 1.00 0.00 H new ATOM 812 N SER A 52 24.592 3.678 -10.477 1.00 0.00 N ATOM 813 CA SER A 52 23.586 3.652 -11.537 1.00 0.00 C ATOM 814 C SER A 52 22.239 3.217 -10.968 1.00 0.00 C ATOM 815 O SER A 52 21.195 3.778 -11.309 1.00 0.00 O ATOM 816 CB SER A 52 24.010 2.708 -12.666 1.00 0.00 C ATOM 817 OG SER A 52 25.211 3.149 -13.283 1.00 0.00 O ATOM 0 H SER A 52 25.385 3.055 -10.630 1.00 0.00 H new ATOM 0 HA SER A 52 23.493 4.657 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.150 1.703 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.216 2.649 -13.411 1.00 0.00 H new ATOM 0 HG SER A 52 25.896 3.295 -12.598 1.00 0.00 H new ATOM 823 N ALA A 53 22.271 2.225 -10.084 1.00 0.00 N ATOM 824 CA ALA A 53 21.067 1.760 -9.412 1.00 0.00 C ATOM 825 C ALA A 53 20.509 2.841 -8.488 1.00 0.00 C ATOM 826 O ALA A 53 19.299 2.958 -8.312 1.00 0.00 O ATOM 827 CB ALA A 53 21.355 0.487 -8.629 1.00 0.00 C ATOM 0 H ALA A 53 23.121 1.728 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 53 20.316 1.540 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.445 0.152 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 53 21.703 -0.289 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.124 0.685 -7.882 1.00 0.00 H new ATOM 833 N HIS A 54 21.407 3.636 -7.908 1.00 0.00 N ATOM 834 CA HIS A 54 21.018 4.732 -7.026 1.00 0.00 C ATOM 835 C HIS A 54 20.391 5.869 -7.827 1.00 0.00 C ATOM 836 O HIS A 54 19.430 6.496 -7.379 1.00 0.00 O ATOM 837 CB HIS A 54 22.226 5.245 -6.237 1.00 0.00 C ATOM 838 CG HIS A 54 21.893 5.669 -4.837 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.906 5.068 -4.081 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.423 6.635 -4.053 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.847 5.651 -2.899 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.756 6.607 -2.855 1.00 0.00 N ATOM 0 H HIS A 54 22.414 3.539 -8.035 1.00 0.00 H new ATOM 0 HA HIS A 54 20.278 4.354 -6.321 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.984 4.463 -6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.665 6.089 -6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.225 7.306 -4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.168 5.390 -2.101 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.933 7.223 -2.061 1.00 0.00 H new ATOM 851 N ASP A 55 20.936 6.124 -9.009 1.00 0.00 N ATOM 852 CA ASP A 55 20.397 7.143 -9.904 1.00 0.00 C ATOM 853 C ASP A 55 18.999 6.760 -10.369 1.00 0.00 C ATOM 854 O ASP A 55 18.057 7.546 -10.255 1.00 0.00 O ATOM 855 CB ASP A 55 21.312 7.333 -11.112 1.00 0.00 C ATOM 856 CG ASP A 55 20.775 8.356 -12.089 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.841 9.568 -11.792 1.00 0.00 O ATOM 858 OD2 ASP A 55 20.292 7.954 -13.167 1.00 0.00 O ATOM 0 H ASP A 55 21.755 5.637 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 55 20.340 8.082 -9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.299 7.644 -10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.438 6.378 -11.623 1.00 0.00 H new ATOM 863 N GLN A 56 18.870 5.541 -10.873 1.00 0.00 N ATOM 864 CA GLN A 56 17.582 5.026 -11.319 1.00 0.00 C ATOM 865 C GLN A 56 16.616 4.927 -10.148 1.00 0.00 C ATOM 866 O GLN A 56 15.400 4.988 -10.321 1.00 0.00 O ATOM 867 CB GLN A 56 17.760 3.658 -11.972 1.00 0.00 C ATOM 868 CG GLN A 56 18.250 3.734 -13.408 1.00 0.00 C ATOM 869 CD GLN A 56 17.544 2.746 -14.311 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.465 1.557 -14.005 1.00 0.00 O ATOM 871 NE2 GLN A 56 17.021 3.228 -15.425 1.00 0.00 N ATOM 0 H GLN A 56 19.645 4.887 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 56 17.167 5.716 -12.054 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.468 3.073 -11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.809 3.126 -11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.097 4.744 -13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.323 3.543 -13.434 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.109 4.221 -15.642 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.530 2.607 -16.068 1.00 0.00 H new ATOM 880 N PHE A 57 17.168 4.790 -8.954 1.00 0.00 N ATOM 881 CA PHE A 57 16.375 4.756 -7.737 1.00 0.00 C ATOM 882 C PHE A 57 15.602 6.060 -7.575 1.00 0.00 C ATOM 883 O PHE A 57 14.452 6.064 -7.139 1.00 0.00 O ATOM 884 CB PHE A 57 17.287 4.521 -6.531 1.00 0.00 C ATOM 885 CG PHE A 57 16.563 4.205 -5.259 1.00 0.00 C ATOM 886 CD1 PHE A 57 15.781 3.068 -5.155 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.675 5.044 -4.162 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.121 2.772 -3.980 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.015 4.754 -2.983 1.00 0.00 C ATOM 890 CZ PHE A 57 15.236 3.617 -2.894 1.00 0.00 C ATOM 0 H PHE A 57 18.172 4.700 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 57 15.658 3.937 -7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.968 3.701 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.899 5.410 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.686 2.405 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.284 5.933 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.515 1.881 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.108 5.415 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.717 3.389 -1.975 1.00 0.00 H new ATOM 900 N LYS A 58 16.231 7.163 -7.964 1.00 0.00 N ATOM 901 CA LYS A 58 15.603 8.471 -7.901 1.00 0.00 C ATOM 902 C LYS A 58 14.527 8.612 -8.969 1.00 0.00 C ATOM 903 O LYS A 58 13.737 9.548 -8.944 1.00 0.00 O ATOM 904 CB LYS A 58 16.652 9.577 -8.072 1.00 0.00 C ATOM 905 CG LYS A 58 17.258 10.071 -6.763 1.00 0.00 C ATOM 906 CD LYS A 58 16.289 9.919 -5.601 1.00 0.00 C ATOM 907 CE LYS A 58 15.108 10.870 -5.727 1.00 0.00 C ATOM 908 NZ LYS A 58 15.295 12.106 -4.928 1.00 0.00 N ATOM 0 H LYS A 58 17.183 7.173 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 58 15.135 8.570 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.452 9.207 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.194 10.420 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.170 9.513 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.541 11.119 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.927 8.892 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.812 10.110 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.967 11.135 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.199 10.363 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.466 12.723 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.403 11.857 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.147 12.605 -5.255 1.00 0.00 H new ATOM 922 N SER A 59 14.498 7.671 -9.897 1.00 0.00 N ATOM 923 CA SER A 59 13.492 7.672 -10.948 1.00 0.00 C ATOM 924 C SER A 59 12.321 6.779 -10.558 1.00 0.00 C ATOM 925 O SER A 59 11.177 7.019 -10.945 1.00 0.00 O ATOM 926 CB SER A 59 14.106 7.202 -12.263 1.00 0.00 C ATOM 927 OG SER A 59 15.493 7.499 -12.308 1.00 0.00 O ATOM 0 H SER A 59 15.159 6.896 -9.945 1.00 0.00 H new ATOM 0 HA SER A 59 13.122 8.689 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.956 6.128 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.599 7.684 -13.099 1.00 0.00 H new ATOM 0 HG SER A 59 15.867 7.188 -13.159 1.00 0.00 H new ATOM 933 N THR A 60 12.618 5.742 -9.787 1.00 0.00 N ATOM 934 CA THR A 60 11.585 4.869 -9.253 1.00 0.00 C ATOM 935 C THR A 60 10.860 5.532 -8.085 1.00 0.00 C ATOM 936 O THR A 60 9.708 5.211 -7.794 1.00 0.00 O ATOM 937 CB THR A 60 12.184 3.531 -8.781 1.00 0.00 C ATOM 938 OG1 THR A 60 13.436 3.299 -9.439 1.00 0.00 O ATOM 939 CG2 THR A 60 11.236 2.381 -9.070 1.00 0.00 C ATOM 0 H THR A 60 13.568 5.486 -9.518 1.00 0.00 H new ATOM 0 HA THR A 60 10.873 4.680 -10.056 1.00 0.00 H new ATOM 0 HB THR A 60 12.342 3.588 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.813 2.448 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.682 1.447 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.294 2.546 -8.548 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.051 2.323 -10.143 1.00 0.00 H new ATOM 947 N LEU A 61 11.545 6.462 -7.421 1.00 0.00 N ATOM 948 CA LEU A 61 10.990 7.146 -6.255 1.00 0.00 C ATOM 949 C LEU A 61 9.666 7.856 -6.576 1.00 0.00 C ATOM 950 O LEU A 61 8.666 7.575 -5.929 1.00 0.00 O ATOM 951 CB LEU A 61 12.004 8.132 -5.660 1.00 0.00 C ATOM 952 CG LEU A 61 13.040 7.518 -4.706 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.443 8.526 -3.641 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.503 6.251 -4.056 1.00 0.00 C ATOM 0 H LEU A 61 12.488 6.759 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 61 10.775 6.380 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.533 8.620 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.458 8.909 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 61 13.920 7.252 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.177 8.076 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.877 9.405 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.564 8.821 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.257 5.838 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.603 6.487 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.264 5.519 -4.828 1.00 0.00 H new ATOM 966 N PRO A 62 9.613 8.767 -7.575 1.00 0.00 N ATOM 967 CA PRO A 62 8.368 9.470 -7.921 1.00 0.00 C ATOM 968 C PRO A 62 7.244 8.512 -8.321 1.00 0.00 C ATOM 969 O PRO A 62 6.065 8.789 -8.086 1.00 0.00 O ATOM 970 CB PRO A 62 8.757 10.364 -9.106 1.00 0.00 C ATOM 971 CG PRO A 62 10.042 9.809 -9.616 1.00 0.00 C ATOM 972 CD PRO A 62 10.730 9.204 -8.428 1.00 0.00 C ATOM 0 HA PRO A 62 7.978 10.027 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.988 10.348 -9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.874 11.402 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.865 9.060 -10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.654 10.591 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.368 8.368 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.365 9.929 -7.919 1.00 0.00 H new ATOM 980 N ASP A 63 7.620 7.382 -8.911 1.00 0.00 N ATOM 981 CA ASP A 63 6.653 6.372 -9.329 1.00 0.00 C ATOM 982 C ASP A 63 6.084 5.647 -8.111 1.00 0.00 C ATOM 983 O ASP A 63 4.868 5.513 -7.962 1.00 0.00 O ATOM 984 CB ASP A 63 7.317 5.367 -10.276 1.00 0.00 C ATOM 985 CG ASP A 63 6.319 4.452 -10.953 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.741 4.857 -11.985 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.122 3.319 -10.471 1.00 0.00 O ATOM 0 H ASP A 63 8.591 7.142 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 63 5.836 6.867 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.881 5.908 -11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.033 4.765 -9.716 1.00 0.00 H new ATOM 992 N ALA A 64 6.976 5.210 -7.232 1.00 0.00 N ATOM 993 CA ALA A 64 6.587 4.487 -6.028 1.00 0.00 C ATOM 994 C ALA A 64 5.934 5.422 -5.009 1.00 0.00 C ATOM 995 O ALA A 64 5.091 5.001 -4.219 1.00 0.00 O ATOM 996 CB ALA A 64 7.794 3.783 -5.424 1.00 0.00 C ATOM 0 H ALA A 64 7.982 5.345 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 64 5.849 3.734 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.490 3.247 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.203 3.077 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.554 4.520 -5.167 1.00 0.00 H new ATOM 1002 N ASP A 65 6.325 6.692 -5.034 1.00 0.00 N ATOM 1003 CA ASP A 65 5.742 7.694 -4.144 1.00 0.00 C ATOM 1004 C ASP A 65 4.263 7.879 -4.456 1.00 0.00 C ATOM 1005 O ASP A 65 3.418 7.883 -3.559 1.00 0.00 O ATOM 1006 CB ASP A 65 6.468 9.036 -4.277 1.00 0.00 C ATOM 1007 CG ASP A 65 5.835 10.128 -3.434 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.464 9.858 -2.276 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.693 11.264 -3.935 1.00 0.00 O ATOM 0 H ASP A 65 7.044 7.054 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 65 5.854 7.339 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.510 8.912 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.467 9.343 -5.323 1.00 0.00 H new ATOM 1014 N ARG A 66 3.956 8.018 -5.740 1.00 0.00 N ATOM 1015 CA ARG A 66 2.575 8.145 -6.177 1.00 0.00 C ATOM 1016 C ARG A 66 1.815 6.858 -5.889 1.00 0.00 C ATOM 1017 O ARG A 66 0.626 6.884 -5.580 1.00 0.00 O ATOM 1018 CB ARG A 66 2.511 8.475 -7.667 1.00 0.00 C ATOM 1019 CG ARG A 66 1.723 9.738 -7.972 1.00 0.00 C ATOM 1020 CD ARG A 66 2.600 10.979 -7.892 1.00 0.00 C ATOM 1021 NE ARG A 66 3.422 11.146 -9.091 1.00 0.00 N ATOM 1022 CZ ARG A 66 2.958 11.596 -10.259 1.00 0.00 C ATOM 1023 NH1 ARG A 66 1.698 12.006 -10.371 1.00 0.00 N ATOM 1024 NH2 ARG A 66 3.762 11.658 -11.314 1.00 0.00 N ATOM 0 H ARG A 66 4.643 8.045 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 66 2.110 8.961 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.525 8.587 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.060 7.637 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.287 9.664 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.896 9.830 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.971 11.859 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.245 10.911 -7.016 1.00 0.00 H new ATOM 0 HE ARG A 66 4.411 10.904 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.079 11.978 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.351 12.349 -11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.735 11.362 -11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.407 12.002 -12.206 1.00 0.00 H new ATOM 1038 N GLU A 67 2.521 5.738 -5.978 1.00 0.00 N ATOM 1039 CA GLU A 67 1.952 4.439 -5.661 1.00 0.00 C ATOM 1040 C GLU A 67 1.553 4.375 -4.191 1.00 0.00 C ATOM 1041 O GLU A 67 0.461 3.920 -3.862 1.00 0.00 O ATOM 1042 CB GLU A 67 2.947 3.323 -5.994 1.00 0.00 C ATOM 1043 CG GLU A 67 2.324 2.144 -6.720 1.00 0.00 C ATOM 1044 CD GLU A 67 1.838 2.499 -8.111 1.00 0.00 C ATOM 1045 OE1 GLU A 67 1.029 3.444 -8.246 1.00 0.00 O ATOM 1046 OE2 GLU A 67 2.251 1.828 -9.078 1.00 0.00 O ATOM 0 H GLU A 67 3.498 5.706 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 67 1.058 4.297 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.748 3.734 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.404 2.969 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.056 1.339 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.487 1.764 -6.134 1.00 0.00 H new ATOM 1053 N ARG A 68 2.434 4.851 -3.313 1.00 0.00 N ATOM 1054 CA ARG A 68 2.162 4.872 -1.885 1.00 0.00 C ATOM 1055 C ARG A 68 0.938 5.739 -1.588 1.00 0.00 C ATOM 1056 O ARG A 68 0.070 5.361 -0.797 1.00 0.00 O ATOM 1057 CB ARG A 68 3.399 5.383 -1.141 1.00 0.00 C ATOM 1058 CG ARG A 68 3.101 6.215 0.091 1.00 0.00 C ATOM 1059 CD ARG A 68 4.236 7.184 0.375 1.00 0.00 C ATOM 1060 NE ARG A 68 4.089 8.451 -0.347 1.00 0.00 N ATOM 1061 CZ ARG A 68 3.042 9.275 -0.248 1.00 0.00 C ATOM 1062 NH1 ARG A 68 2.045 9.020 0.597 1.00 0.00 N ATOM 1063 NH2 ARG A 68 3.017 10.381 -0.977 1.00 0.00 N ATOM 0 H ARG A 68 3.346 5.228 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 68 1.940 3.862 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.007 4.528 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.999 5.979 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.173 6.768 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.952 5.561 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.279 7.383 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.183 6.720 0.098 1.00 0.00 H new ATOM 0 HE ARG A 68 4.845 8.725 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.073 8.185 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.253 9.660 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.792 10.595 -1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.223 11.018 -0.910 1.00 0.00 H new ATOM 1077 N GLU A 69 0.861 6.889 -2.249 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.277 7.784 -2.093 1.00 0.00 C ATOM 1079 C GLU A 69 -1.549 7.131 -2.627 1.00 0.00 C ATOM 1080 O GLU A 69 -2.627 7.282 -2.054 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.019 9.102 -2.823 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.784 10.275 -2.237 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.108 10.859 -1.017 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.347 10.364 0.104 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.682 11.811 -1.172 1.00 0.00 O ATOM 0 H GLU A 69 1.574 7.222 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.410 7.989 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.048 9.322 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.292 8.987 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.889 11.051 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.790 9.951 -1.970 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.408 6.395 -3.722 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.535 5.711 -4.347 1.00 0.00 C ATOM 1094 C ALA A 70 -2.968 4.496 -3.529 1.00 0.00 C ATOM 1095 O ALA A 70 -4.098 4.030 -3.645 1.00 0.00 O ATOM 1096 CB ALA A 70 -2.171 5.301 -5.766 1.00 0.00 C ATOM 0 H ALA A 70 -0.517 6.255 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.378 6.401 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.017 4.791 -6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.922 6.188 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.313 4.630 -5.742 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.077 4.011 -2.683 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.364 2.852 -1.852 1.00 0.00 C ATOM 1104 C ILE A 71 -3.089 3.325 -0.602 1.00 0.00 C ATOM 1105 O ILE A 71 -4.030 2.688 -0.122 1.00 0.00 O ATOM 1106 CB ILE A 71 -1.069 2.069 -1.495 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.903 0.881 -2.442 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.069 1.585 -0.051 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.445 0.834 -3.120 1.00 0.00 C ATOM 0 H ILE A 71 -1.144 4.403 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.999 2.159 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.229 2.755 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.052 -0.043 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.682 0.922 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.145 1.044 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.142 2.441 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.920 0.923 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.492 -0.035 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.589 1.741 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.229 0.762 -2.366 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.670 4.486 -0.112 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.358 5.150 0.976 1.00 0.00 C ATOM 1123 C LEU A 72 -4.716 5.620 0.490 1.00 0.00 C ATOM 1124 O LEU A 72 -5.675 5.696 1.256 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.534 6.331 1.493 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.335 5.952 2.365 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -0.868 7.155 3.162 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.698 4.798 3.288 1.00 0.00 C ATOM 0 H LEU A 72 -1.851 4.986 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.491 4.450 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.176 6.906 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.188 6.987 2.067 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.517 5.629 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.015 6.874 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.575 7.952 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.678 7.505 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.836 4.539 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.527 5.094 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.992 3.934 2.692 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.788 5.901 -0.805 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.040 6.301 -1.433 1.00 0.00 C ATOM 1142 C ALA A 73 -7.017 5.132 -1.463 1.00 0.00 C ATOM 1143 O ALA A 73 -8.222 5.304 -1.286 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.791 6.822 -2.840 1.00 0.00 C ATOM 0 H ALA A 73 -3.992 5.859 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.479 7.105 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.738 7.116 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.127 7.685 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.329 6.039 -3.441 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.479 3.940 -1.681 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.275 2.722 -1.666 1.00 0.00 C ATOM 1152 C ILE A 74 -7.775 2.443 -0.252 1.00 0.00 C ATOM 1153 O ILE A 74 -8.944 2.117 -0.036 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.446 1.517 -2.172 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.281 1.592 -3.688 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.091 0.197 -1.776 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.059 0.864 -4.201 1.00 0.00 C ATOM 0 H ILE A 74 -5.488 3.791 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.127 2.862 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.463 1.563 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.169 1.174 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.222 2.638 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.485 -0.630 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.161 0.138 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.090 0.136 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.007 0.960 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.164 1.297 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.124 -0.191 -3.933 1.00 0.00 H new ATOM 1169 N HIS A 75 -6.882 2.606 0.714 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.204 2.324 2.104 1.00 0.00 C ATOM 1171 C HIS A 75 -8.098 3.408 2.696 1.00 0.00 C ATOM 1172 O HIS A 75 -8.674 3.221 3.760 1.00 0.00 O ATOM 1173 CB HIS A 75 -5.897 2.123 2.914 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.726 2.967 4.155 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.575 2.432 5.414 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.667 4.308 4.317 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.436 3.410 6.291 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.485 4.559 5.653 1.00 0.00 N ATOM 0 H HIS A 75 -5.928 2.932 0.560 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.775 1.397 2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.836 1.075 3.206 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.054 2.319 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.749 5.048 3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.304 3.286 7.356 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.402 5.482 6.080 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.219 4.528 1.999 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.031 5.644 2.477 1.00 0.00 C ATOM 1189 C LYS A 76 -10.474 5.213 2.688 1.00 0.00 C ATOM 1190 O LYS A 76 -11.047 5.437 3.753 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.970 6.813 1.495 1.00 0.00 C ATOM 1192 CG LYS A 76 -8.045 7.931 1.940 1.00 0.00 C ATOM 1193 CD LYS A 76 -7.756 8.893 0.799 1.00 0.00 C ATOM 1194 CE LYS A 76 -6.290 9.298 0.761 1.00 0.00 C ATOM 1195 NZ LYS A 76 -6.059 10.442 -0.158 1.00 0.00 N ATOM 0 H LYS A 76 -7.766 4.691 1.100 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.624 5.969 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.640 6.444 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.974 7.215 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.498 8.473 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.110 7.508 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.029 8.427 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.376 9.783 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.960 9.566 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.686 8.448 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.049 10.689 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.350 10.178 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.616 11.261 0.160 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.041 4.556 1.690 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.426 4.118 1.767 1.00 0.00 C ATOM 1211 C GLU A 77 -12.514 2.832 2.574 1.00 0.00 C ATOM 1212 O GLU A 77 -13.505 2.568 3.254 1.00 0.00 O ATOM 1213 CB GLU A 77 -13.001 3.910 0.362 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.512 3.725 0.332 1.00 0.00 C ATOM 1215 CD GLU A 77 -15.264 4.939 0.837 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -15.170 6.015 0.206 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -15.965 4.826 1.864 1.00 0.00 O ATOM 0 H GLU A 77 -10.567 4.315 0.820 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.014 4.889 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.738 4.767 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.529 3.036 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.826 3.508 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.779 2.860 0.939 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.443 2.052 2.525 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.401 0.764 3.200 1.00 0.00 C ATOM 1226 C ALA A 78 -11.220 0.929 4.705 1.00 0.00 C ATOM 1227 O ALA A 78 -11.521 0.023 5.476 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.286 -0.094 2.625 1.00 0.00 C ATOM 0 H ALA A 78 -10.588 2.291 2.022 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.356 0.266 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.265 -1.055 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.462 -0.255 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.330 0.412 2.762 1.00 0.00 H new ATOM 1234 N GLN A 79 -10.711 2.078 5.121 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.497 2.341 6.535 1.00 0.00 C ATOM 1236 C GLN A 79 -11.626 3.176 7.111 1.00 0.00 C ATOM 1237 O GLN A 79 -12.002 3.009 8.266 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.168 3.064 6.760 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.645 2.931 8.183 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.617 1.827 8.336 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.601 1.991 9.010 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -7.866 0.688 7.708 1.00 0.00 N ATOM 0 H GLN A 79 -10.439 2.841 4.501 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.472 1.378 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.425 2.667 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.292 4.121 6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.202 3.878 8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.481 2.737 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.718 0.585 7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.205 -0.086 7.775 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.183 4.051 6.290 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.177 5.008 6.754 1.00 0.00 C ATOM 1253 C ARG A 80 -14.421 4.299 7.280 1.00 0.00 C ATOM 1254 O ARG A 80 -15.068 4.779 8.208 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.530 6.004 5.638 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.880 5.770 4.982 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.552 7.081 4.615 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.705 7.225 3.172 1.00 0.00 N ATOM 1259 CZ ARG A 80 -16.112 8.339 2.572 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -16.472 9.397 3.290 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -16.178 8.388 1.249 1.00 0.00 N ATOM 0 H ARG A 80 -11.964 4.119 5.296 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.748 5.570 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.512 7.013 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.756 5.959 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.751 5.162 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.523 5.207 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.531 7.134 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.963 7.912 5.003 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.486 6.420 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.437 9.358 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.783 10.249 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.917 7.572 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.490 9.241 0.785 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.734 3.141 6.709 1.00 0.00 N ATOM 1276 CA ILE A 81 -15.874 2.361 7.165 1.00 0.00 C ATOM 1277 C ILE A 81 -15.628 1.844 8.583 1.00 0.00 C ATOM 1278 O ILE A 81 -16.552 1.726 9.389 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.167 1.173 6.219 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.944 0.266 6.084 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.590 1.673 4.849 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.013 -0.954 6.969 1.00 0.00 C ATOM 0 H ILE A 81 -14.217 2.725 5.934 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.744 3.018 7.163 1.00 0.00 H new ATOM 0 HB ILE A 81 -16.982 0.595 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.846 -0.051 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.048 0.836 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.792 0.823 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.491 2.278 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.791 2.277 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.116 -1.557 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.081 -0.644 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.892 -1.544 6.708 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.368 1.549 8.881 1.00 0.00 N ATOM 1295 CA ALA A 82 -13.980 1.047 10.190 1.00 0.00 C ATOM 1296 C ALA A 82 -13.773 2.197 11.168 1.00 0.00 C ATOM 1297 O ALA A 82 -13.894 2.020 12.380 1.00 0.00 O ATOM 1298 CB ALA A 82 -12.718 0.207 10.085 1.00 0.00 C ATOM 0 H ALA A 82 -13.593 1.651 8.226 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.786 0.417 10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.442 -0.160 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.898 -0.638 9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.908 0.816 9.685 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.448 3.368 10.638 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.299 4.562 11.458 1.00 0.00 C ATOM 1306 C GLU A 83 -14.666 5.093 11.874 1.00 0.00 C ATOM 1307 O GLU A 83 -14.825 5.648 12.962 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.516 5.642 10.708 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.107 5.216 10.318 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.146 5.175 11.491 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.607 5.163 12.655 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -8.922 5.157 11.255 1.00 0.00 O ATOM 0 H GLU A 83 -13.282 3.517 9.643 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.739 4.293 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.065 5.917 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.457 6.534 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.148 4.230 9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.722 5.904 9.566 1.00 0.00 H new ATOM 1319 N SER A 84 -15.648 4.927 10.997 1.00 0.00 N ATOM 1320 CA SER A 84 -17.018 5.289 11.315 1.00 0.00 C ATOM 1321 C SER A 84 -17.625 4.275 12.282 1.00 0.00 C ATOM 1322 O SER A 84 -18.450 4.624 13.122 1.00 0.00 O ATOM 1323 CB SER A 84 -17.853 5.377 10.040 1.00 0.00 C ATOM 1324 OG SER A 84 -17.292 6.314 9.134 1.00 0.00 O ATOM 0 H SER A 84 -15.518 4.544 10.061 1.00 0.00 H new ATOM 0 HA SER A 84 -17.017 6.267 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.908 4.396 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.873 5.670 10.288 1.00 0.00 H new ATOM 0 HG SER A 84 -16.501 5.923 8.707 1.00 0.00 H new ATOM 1330 N ASN A 85 -17.204 3.022 12.156 1.00 0.00 N ATOM 1331 CA ASN A 85 -17.625 1.977 13.072 1.00 0.00 C ATOM 1332 C ASN A 85 -16.538 1.770 14.111 1.00 0.00 C ATOM 1333 O ASN A 85 -15.803 2.700 14.440 1.00 0.00 O ATOM 1334 CB ASN A 85 -17.863 0.666 12.314 1.00 0.00 C ATOM 1335 CG ASN A 85 -19.164 0.645 11.542 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -20.244 0.497 12.118 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -19.067 0.793 10.232 1.00 0.00 N ATOM 0 H ASN A 85 -16.568 2.707 11.423 1.00 0.00 H new ATOM 0 HA ASN A 85 -18.556 2.275 13.554 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.037 0.499 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.857 -0.161 13.024 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.908 0.788 9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.151 0.913 9.799 1.00 0.00 H new ATOM 1344 N HIS A 86 -16.456 0.565 14.648 1.00 0.00 N ATOM 1345 CA HIS A 86 -15.304 0.158 15.435 1.00 0.00 C ATOM 1346 C HIS A 86 -14.992 -1.298 15.146 1.00 0.00 C ATOM 1347 O HIS A 86 -14.625 -2.066 16.035 1.00 0.00 O ATOM 1348 CB HIS A 86 -15.539 0.394 16.930 1.00 0.00 C ATOM 1349 CG HIS A 86 -14.776 1.575 17.441 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -15.199 2.356 18.491 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -13.615 2.125 17.011 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -14.335 3.336 18.681 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -13.364 3.217 17.797 1.00 0.00 N ATOM 0 H HIS A 86 -17.176 -0.151 14.553 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.446 0.767 15.152 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.603 0.546 17.110 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.245 -0.495 17.487 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.001 1.768 16.198 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.411 4.106 19.434 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -12.558 3.837 17.713 1.00 0.00 H new ATOM 1362 N ILE A 87 -15.138 -1.661 13.879 1.00 0.00 N ATOM 1363 CA ILE A 87 -15.009 -3.046 13.448 1.00 0.00 C ATOM 1364 C ILE A 87 -13.555 -3.432 13.204 1.00 0.00 C ATOM 1365 O ILE A 87 -12.646 -2.604 13.319 1.00 0.00 O ATOM 1366 CB ILE A 87 -15.818 -3.313 12.154 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -15.145 -2.654 10.944 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -17.239 -2.805 12.306 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -15.281 -3.456 9.669 1.00 0.00 C ATOM 0 H ILE A 87 -15.348 -1.007 13.125 1.00 0.00 H new ATOM 0 HA ILE A 87 -15.407 -3.655 14.259 1.00 0.00 H new ATOM 0 HB ILE A 87 -15.846 -4.390 11.986 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -15.578 -1.666 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -14.087 -2.508 11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -17.795 -3.000 11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -17.721 -3.317 13.138 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.223 -1.733 12.500 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -14.782 -2.931 8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.822 -4.435 9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.337 -3.580 9.428 1.00 0.00 H new ATOM 1381 N LYS A 88 -13.356 -4.689 12.857 1.00 0.00 N ATOM 1382 CA LYS A 88 -12.043 -5.214 12.533 1.00 0.00 C ATOM 1383 C LYS A 88 -12.074 -5.762 11.116 1.00 0.00 C ATOM 1384 O LYS A 88 -12.424 -6.923 10.894 1.00 0.00 O ATOM 1385 CB LYS A 88 -11.634 -6.305 13.528 1.00 0.00 C ATOM 1386 CG LYS A 88 -10.741 -5.804 14.650 1.00 0.00 C ATOM 1387 CD LYS A 88 -11.554 -5.356 15.856 1.00 0.00 C ATOM 1388 CE LYS A 88 -10.788 -5.554 17.154 1.00 0.00 C ATOM 1389 NZ LYS A 88 -11.276 -6.739 17.912 1.00 0.00 N ATOM 0 H LYS A 88 -14.105 -5.379 12.792 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.304 -4.416 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.532 -6.746 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.116 -7.099 12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.052 -6.595 14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.135 -4.973 14.290 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.819 -4.304 15.746 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.487 -5.917 15.895 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.727 -5.675 16.935 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.886 -4.662 17.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.728 -6.839 18.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.282 -6.613 18.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.159 -7.594 17.332 1.00 0.00 H new ATOM 1403 N LEU A 89 -11.768 -4.878 10.172 1.00 0.00 N ATOM 1404 CA LEU A 89 -11.786 -5.177 8.730 1.00 0.00 C ATOM 1405 C LEU A 89 -11.217 -6.558 8.403 1.00 0.00 C ATOM 1406 O LEU A 89 -9.993 -6.734 8.343 1.00 0.00 O ATOM 1407 CB LEU A 89 -11.006 -4.122 7.936 1.00 0.00 C ATOM 1408 CG LEU A 89 -10.492 -2.925 8.731 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -9.160 -3.251 9.383 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -10.365 -1.722 7.822 1.00 0.00 C ATOM 0 H LEU A 89 -11.496 -3.918 10.382 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.836 -5.163 8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.154 -4.610 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.647 -3.752 7.136 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.205 -2.692 9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.809 -2.386 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.283 -4.098 10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.431 -3.504 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.998 -0.870 8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.666 -1.947 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.340 -1.481 7.399 1.00 0.00 H new ATOM 1422 N SER A 90 -12.120 -7.516 8.178 1.00 0.00 N ATOM 1423 CA SER A 90 -11.753 -8.892 7.843 1.00 0.00 C ATOM 1424 C SER A 90 -10.687 -9.438 8.800 1.00 0.00 C ATOM 1425 O SER A 90 -9.748 -10.121 8.384 1.00 0.00 O ATOM 1426 CB SER A 90 -11.267 -8.968 6.393 1.00 0.00 C ATOM 1427 OG SER A 90 -11.694 -7.836 5.642 1.00 0.00 O ATOM 0 H SER A 90 -13.127 -7.358 8.223 1.00 0.00 H new ATOM 0 HA SER A 90 -12.641 -9.515 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.179 -9.029 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.645 -9.879 5.928 1.00 0.00 H new ATOM 0 HG SER A 90 -11.435 -7.949 4.704 1.00 0.00 H new ATOM 1433 N GLY A 91 -10.841 -9.125 10.082 1.00 0.00 N ATOM 1434 CA GLY A 91 -9.867 -9.527 11.073 1.00 0.00 C ATOM 1435 C GLY A 91 -8.718 -8.543 11.154 1.00 0.00 C ATOM 1436 O GLY A 91 -8.868 -7.443 11.684 1.00 0.00 O ATOM 0 H GLY A 91 -11.631 -8.596 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.349 -9.606 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.483 -10.517 10.826 1.00 0.00 H new ATOM 1440 N SER A 92 -7.572 -8.936 10.625 1.00 0.00 N ATOM 1441 CA SER A 92 -6.414 -8.057 10.551 1.00 0.00 C ATOM 1442 C SER A 92 -5.900 -8.003 9.115 1.00 0.00 C ATOM 1443 O SER A 92 -4.716 -8.235 8.861 1.00 0.00 O ATOM 1444 CB SER A 92 -5.318 -8.548 11.497 1.00 0.00 C ATOM 1445 OG SER A 92 -5.797 -9.594 12.330 1.00 0.00 O ATOM 0 H SER A 92 -7.417 -9.866 10.237 1.00 0.00 H new ATOM 0 HA SER A 92 -6.706 -7.052 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.464 -8.901 10.918 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.966 -7.720 12.112 1.00 0.00 H new ATOM 0 HG SER A 92 -5.078 -9.893 12.925 1.00 0.00 H new ATOM 1451 N ASN A 93 -6.818 -7.696 8.191 1.00 0.00 N ATOM 1452 CA ASN A 93 -6.546 -7.710 6.752 1.00 0.00 C ATOM 1453 C ASN A 93 -6.394 -9.148 6.263 1.00 0.00 C ATOM 1454 O ASN A 93 -5.506 -9.881 6.697 1.00 0.00 O ATOM 1455 CB ASN A 93 -5.306 -6.889 6.391 1.00 0.00 C ATOM 1456 CG ASN A 93 -5.560 -5.908 5.262 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -6.508 -6.055 4.486 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -4.708 -4.901 5.153 1.00 0.00 N ATOM 0 H ASN A 93 -7.775 -7.430 8.423 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.396 -7.245 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.968 -6.343 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.499 -7.564 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.823 -4.214 4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.936 -4.812 5.814 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.259 -9.566 5.341 1.00 0.00 N ATOM 1466 CA PRO A 94 -7.363 -10.968 4.918 1.00 0.00 C ATOM 1467 C PRO A 94 -6.356 -11.363 3.843 1.00 0.00 C ATOM 1468 O PRO A 94 -6.043 -12.543 3.682 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.775 -11.011 4.345 1.00 0.00 C ATOM 1470 CG PRO A 94 -8.936 -9.671 3.720 1.00 0.00 C ATOM 1471 CD PRO A 94 -8.220 -8.709 4.625 1.00 0.00 C ATOM 0 HA PRO A 94 -7.161 -11.658 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.887 -11.811 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.519 -11.183 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.511 -9.654 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.989 -9.408 3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.716 -7.925 4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.908 -8.215 5.312 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.853 -10.384 3.104 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.030 -10.677 1.938 1.00 0.00 C ATOM 1481 C TYR A 95 -3.595 -10.214 2.141 1.00 0.00 C ATOM 1482 O TYR A 95 -2.650 -10.955 1.868 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.621 -10.021 0.680 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.118 -10.215 0.519 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.696 -11.474 0.623 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.953 -9.131 0.269 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.061 -11.648 0.484 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.315 -9.298 0.125 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.866 -10.557 0.235 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.226 -10.723 0.097 1.00 0.00 O ATOM 0 H TYR A 95 -5.998 -9.391 3.287 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.023 -11.759 1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.406 -8.953 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.117 -10.426 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.069 -12.332 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.528 -8.142 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.494 -12.634 0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.947 -8.445 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.660 -10.609 0.969 1.00 0.00 H new ATOM 1500 N THR A 96 -3.435 -8.999 2.630 1.00 0.00 N ATOM 1501 CA THR A 96 -2.109 -8.418 2.784 1.00 0.00 C ATOM 1502 C THR A 96 -1.910 -7.876 4.195 1.00 0.00 C ATOM 1503 O THR A 96 -2.835 -7.332 4.795 1.00 0.00 O ATOM 1504 CB THR A 96 -1.870 -7.306 1.734 1.00 0.00 C ATOM 1505 OG1 THR A 96 -0.486 -6.938 1.696 1.00 0.00 O ATOM 1506 CG2 THR A 96 -2.721 -6.075 2.017 1.00 0.00 C ATOM 0 H THR A 96 -4.201 -8.395 2.927 1.00 0.00 H new ATOM 0 HA THR A 96 -1.376 -9.208 2.618 1.00 0.00 H new ATOM 0 HB THR A 96 -2.163 -7.708 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.353 -6.235 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.526 -5.316 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.776 -6.349 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.471 -5.678 3.001 1.00 0.00 H new ATOM 1514 N THR A 97 -0.712 -8.039 4.729 1.00 0.00 N ATOM 1515 CA THR A 97 -0.412 -7.561 6.069 1.00 0.00 C ATOM 1516 C THR A 97 0.511 -6.349 6.028 1.00 0.00 C ATOM 1517 O THR A 97 1.673 -6.411 6.442 1.00 0.00 O ATOM 1518 CB THR A 97 0.222 -8.661 6.934 1.00 0.00 C ATOM 1519 OG1 THR A 97 -0.319 -9.940 6.576 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.037 -8.377 8.405 1.00 0.00 C ATOM 0 H THR A 97 0.068 -8.497 4.257 1.00 0.00 H new ATOM 0 HA THR A 97 -1.361 -7.269 6.519 1.00 0.00 H new ATOM 0 HB THR A 97 1.298 -8.673 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.092 -10.636 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.415 -9.161 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.399 -7.414 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.111 -8.352 8.587 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.016 -5.254 5.517 1.00 0.00 N ATOM 1529 CA VAL A 98 0.725 -4.009 5.430 1.00 0.00 C ATOM 1530 C VAL A 98 -0.129 -2.841 5.914 1.00 0.00 C ATOM 1531 O VAL A 98 -1.100 -2.454 5.261 1.00 0.00 O ATOM 1532 CB VAL A 98 1.198 -3.729 3.989 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.502 -4.453 3.690 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.137 -4.125 2.981 1.00 0.00 C ATOM 0 H VAL A 98 -0.967 -5.201 5.151 1.00 0.00 H new ATOM 0 HA VAL A 98 1.602 -4.112 6.070 1.00 0.00 H new ATOM 0 HB VAL A 98 1.372 -2.656 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.812 -4.237 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.273 -4.114 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.357 -5.527 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.497 -3.917 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.077 -5.189 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.773 -3.554 3.167 1.00 0.00 H new ATOM 1544 N THR A 99 0.218 -2.295 7.066 1.00 0.00 N ATOM 1545 CA THR A 99 -0.498 -1.152 7.598 1.00 0.00 C ATOM 1546 C THR A 99 -0.021 0.131 6.923 1.00 0.00 C ATOM 1547 O THR A 99 1.082 0.172 6.369 1.00 0.00 O ATOM 1548 CB THR A 99 -0.297 -1.035 9.119 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.842 -1.797 9.524 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.525 -1.522 9.870 1.00 0.00 C ATOM 0 H THR A 99 0.988 -2.624 7.648 1.00 0.00 H new ATOM 0 HA THR A 99 -1.559 -1.297 7.395 1.00 0.00 H new ATOM 0 HB THR A 99 -0.137 0.016 9.357 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.786 -1.983 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.356 -1.428 10.943 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.388 -0.921 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.713 -2.567 9.622 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.840 1.197 6.949 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.481 2.483 6.347 1.00 0.00 C ATOM 1560 C PRO A 100 0.831 3.021 6.905 1.00 0.00 C ATOM 1561 O PRO A 100 1.641 3.597 6.180 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.645 3.410 6.725 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.374 2.703 7.818 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.176 1.239 7.560 1.00 0.00 C ATOM 0 HA PRO A 100 -0.331 2.400 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.281 4.382 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.297 3.591 5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.982 2.984 8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.433 2.961 7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.219 0.656 8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.939 0.838 6.893 1.00 0.00 H new ATOM 1572 N GLN A 101 1.042 2.803 8.195 1.00 0.00 N ATOM 1573 CA GLN A 101 2.238 3.282 8.865 1.00 0.00 C ATOM 1574 C GLN A 101 3.454 2.498 8.407 1.00 0.00 C ATOM 1575 O GLN A 101 4.526 3.064 8.218 1.00 0.00 O ATOM 1576 CB GLN A 101 2.083 3.170 10.381 1.00 0.00 C ATOM 1577 CG GLN A 101 1.883 4.508 11.084 1.00 0.00 C ATOM 1578 CD GLN A 101 1.446 5.616 10.142 1.00 0.00 C ATOM 1579 OE1 GLN A 101 0.338 5.597 9.613 1.00 0.00 O ATOM 1580 NE2 GLN A 101 2.323 6.584 9.926 1.00 0.00 N ATOM 0 H GLN A 101 0.396 2.295 8.799 1.00 0.00 H new ATOM 0 HA GLN A 101 2.379 4.331 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.233 2.524 10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.968 2.684 10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.136 4.391 11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.814 4.799 11.570 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.233 6.560 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.089 7.354 9.299 1.00 0.00 H new ATOM 1589 N ILE A 102 3.277 1.198 8.218 1.00 0.00 N ATOM 1590 CA ILE A 102 4.362 0.334 7.777 1.00 0.00 C ATOM 1591 C ILE A 102 4.931 0.816 6.443 1.00 0.00 C ATOM 1592 O ILE A 102 6.142 0.849 6.251 1.00 0.00 O ATOM 1593 CB ILE A 102 3.887 -1.142 7.679 1.00 0.00 C ATOM 1594 CG1 ILE A 102 4.544 -1.969 8.782 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.177 -1.763 6.315 1.00 0.00 C ATOM 1596 CD1 ILE A 102 4.022 -1.649 10.161 1.00 0.00 C ATOM 0 H ILE A 102 2.389 0.718 8.364 1.00 0.00 H new ATOM 0 HA ILE A 102 5.158 0.382 8.520 1.00 0.00 H new ATOM 0 HB ILE A 102 2.804 -1.144 7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.383 -3.027 8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.621 -1.800 8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.824 -2.794 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.663 -1.194 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.251 -1.744 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.531 -2.272 10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.207 -0.598 10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.950 -1.845 10.199 1.00 0.00 H new ATOM 1608 N ILE A 103 4.049 1.231 5.545 1.00 0.00 N ATOM 1609 CA ILE A 103 4.468 1.652 4.217 1.00 0.00 C ATOM 1610 C ILE A 103 4.912 3.119 4.202 1.00 0.00 C ATOM 1611 O ILE A 103 5.866 3.478 3.513 1.00 0.00 O ATOM 1612 CB ILE A 103 3.353 1.391 3.171 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.970 0.949 1.848 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.460 2.611 2.960 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.462 -0.393 1.360 1.00 0.00 C ATOM 0 H ILE A 103 3.044 1.285 5.711 1.00 0.00 H new ATOM 0 HA ILE A 103 5.333 1.049 3.941 1.00 0.00 H new ATOM 0 HB ILE A 103 2.720 0.594 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.763 1.704 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.053 0.899 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.695 2.378 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.982 2.880 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.064 3.447 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.944 -0.643 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.693 -1.160 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.383 -0.343 1.215 1.00 0.00 H new ATOM 1627 N ASN A 104 4.240 3.961 4.983 1.00 0.00 N ATOM 1628 CA ASN A 104 4.545 5.390 4.997 1.00 0.00 C ATOM 1629 C ASN A 104 5.823 5.682 5.778 1.00 0.00 C ATOM 1630 O ASN A 104 6.634 6.513 5.365 1.00 0.00 O ATOM 1631 CB ASN A 104 3.379 6.193 5.580 1.00 0.00 C ATOM 1632 CG ASN A 104 3.041 7.414 4.737 1.00 0.00 C ATOM 1633 OD1 ASN A 104 2.993 7.342 3.509 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.792 8.543 5.391 1.00 0.00 N ATOM 0 H ASN A 104 3.486 3.682 5.610 1.00 0.00 H new ATOM 0 HA ASN A 104 4.700 5.697 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.501 5.552 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.630 6.511 6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.551 9.389 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.842 8.564 6.410 1.00 0.00 H new ATOM 1641 N SER A 105 6.016 4.999 6.900 1.00 0.00 N ATOM 1642 CA SER A 105 7.202 5.222 7.718 1.00 0.00 C ATOM 1643 C SER A 105 8.432 4.579 7.084 1.00 0.00 C ATOM 1644 O SER A 105 9.551 5.069 7.247 1.00 0.00 O ATOM 1645 CB SER A 105 6.988 4.691 9.135 1.00 0.00 C ATOM 1646 OG SER A 105 5.744 5.132 9.656 1.00 0.00 O ATOM 0 H SER A 105 5.374 4.293 7.261 1.00 0.00 H new ATOM 0 HA SER A 105 7.374 6.297 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.019 3.601 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.798 5.029 9.781 1.00 0.00 H new ATOM 0 HG SER A 105 5.027 4.552 9.325 1.00 0.00 H new ATOM 1652 N LYS A 106 8.224 3.490 6.347 1.00 0.00 N ATOM 1653 CA LYS A 106 9.318 2.854 5.631 1.00 0.00 C ATOM 1654 C LYS A 106 9.825 3.785 4.538 1.00 0.00 C ATOM 1655 O LYS A 106 11.033 3.960 4.373 1.00 0.00 O ATOM 1656 CB LYS A 106 8.872 1.521 5.025 1.00 0.00 C ATOM 1657 CG LYS A 106 10.022 0.663 4.516 1.00 0.00 C ATOM 1658 CD LYS A 106 10.150 -0.628 5.310 1.00 0.00 C ATOM 1659 CE LYS A 106 9.808 -1.842 4.460 1.00 0.00 C ATOM 1660 NZ LYS A 106 11.004 -2.684 4.181 1.00 0.00 N ATOM 0 H LYS A 106 7.317 3.037 6.233 1.00 0.00 H new ATOM 0 HA LYS A 106 10.124 2.652 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.316 0.959 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.186 1.718 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.864 0.429 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.953 1.225 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.167 -0.723 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.489 -0.591 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.054 -2.441 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.369 -1.513 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.726 -3.686 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.410 -2.417 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.713 -2.538 4.928 1.00 0.00 H new ATOM 1674 N TRP A 107 8.889 4.393 3.815 1.00 0.00 N ATOM 1675 CA TRP A 107 9.223 5.367 2.785 1.00 0.00 C ATOM 1676 C TRP A 107 10.028 6.518 3.382 1.00 0.00 C ATOM 1677 O TRP A 107 11.015 6.973 2.797 1.00 0.00 O ATOM 1678 CB TRP A 107 7.949 5.906 2.128 1.00 0.00 C ATOM 1679 CG TRP A 107 8.225 6.837 0.992 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.302 8.200 1.031 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.464 6.462 -0.361 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.587 8.689 -0.220 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.688 7.640 -1.093 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.515 5.236 -1.020 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 8.957 7.626 -2.455 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.779 5.222 -2.375 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.000 6.411 -3.079 1.00 0.00 C ATOM 0 H TRP A 107 7.889 4.226 3.926 1.00 0.00 H new ATOM 0 HA TRP A 107 9.828 4.871 2.026 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.351 5.069 1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.352 6.424 2.878 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.160 8.804 1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.704 9.674 -0.460 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.351 4.314 -0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.126 8.542 -3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.816 4.279 -2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.209 6.368 -4.138 1.00 0.00 H new ATOM 1698 N GLU A 108 9.600 6.970 4.558 1.00 0.00 N ATOM 1699 CA GLU A 108 10.257 8.055 5.269 1.00 0.00 C ATOM 1700 C GLU A 108 11.748 7.787 5.445 1.00 0.00 C ATOM 1701 O GLU A 108 12.578 8.677 5.263 1.00 0.00 O ATOM 1702 CB GLU A 108 9.601 8.229 6.635 1.00 0.00 C ATOM 1703 CG GLU A 108 9.047 9.617 6.866 1.00 0.00 C ATOM 1704 CD GLU A 108 10.137 10.621 7.169 1.00 0.00 C ATOM 1705 OE1 GLU A 108 10.983 10.344 8.050 1.00 0.00 O ATOM 1706 OE2 GLU A 108 10.159 11.685 6.522 1.00 0.00 O ATOM 0 H GLU A 108 8.786 6.591 5.043 1.00 0.00 H new ATOM 0 HA GLU A 108 10.149 8.966 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.794 7.503 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.332 8.004 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.494 9.938 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.338 9.591 7.694 1.00 0.00 H new ATOM 1713 N LYS A 109 12.081 6.554 5.798 1.00 0.00 N ATOM 1714 CA LYS A 109 13.469 6.181 6.018 1.00 0.00 C ATOM 1715 C LYS A 109 14.191 5.984 4.692 1.00 0.00 C ATOM 1716 O LYS A 109 15.371 6.292 4.571 1.00 0.00 O ATOM 1717 CB LYS A 109 13.554 4.913 6.867 1.00 0.00 C ATOM 1718 CG LYS A 109 12.874 5.043 8.224 1.00 0.00 C ATOM 1719 CD LYS A 109 13.361 6.273 8.982 1.00 0.00 C ATOM 1720 CE LYS A 109 12.215 7.221 9.305 1.00 0.00 C ATOM 1721 NZ LYS A 109 12.658 8.641 9.346 1.00 0.00 N ATOM 0 H LYS A 109 11.411 5.798 5.938 1.00 0.00 H new ATOM 0 HA LYS A 109 13.959 6.992 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.099 4.088 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.602 4.656 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 109 11.795 5.104 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.069 4.149 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.849 5.962 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.110 6.796 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.430 7.108 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.780 6.949 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.537 9.015 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.661 8.700 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.087 9.202 8.682 1.00 0.00 H new ATOM 1735 N VAL A 110 13.464 5.488 3.697 1.00 0.00 N ATOM 1736 CA VAL A 110 14.011 5.302 2.356 1.00 0.00 C ATOM 1737 C VAL A 110 14.553 6.623 1.807 1.00 0.00 C ATOM 1738 O VAL A 110 15.681 6.689 1.315 1.00 0.00 O ATOM 1739 CB VAL A 110 12.943 4.731 1.389 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.398 4.831 -0.059 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.617 3.289 1.742 1.00 0.00 C ATOM 0 H VAL A 110 12.489 5.206 3.794 1.00 0.00 H new ATOM 0 HA VAL A 110 14.828 4.585 2.430 1.00 0.00 H new ATOM 0 HB VAL A 110 12.040 5.331 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.627 4.422 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.573 5.876 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.321 4.266 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.865 2.906 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.520 2.683 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.232 3.242 2.760 1.00 0.00 H new ATOM 1751 N GLN A 111 13.749 7.675 1.929 1.00 0.00 N ATOM 1752 CA GLN A 111 14.112 8.999 1.422 1.00 0.00 C ATOM 1753 C GLN A 111 15.390 9.517 2.062 1.00 0.00 C ATOM 1754 O GLN A 111 16.246 10.092 1.391 1.00 0.00 O ATOM 1755 CB GLN A 111 12.985 9.993 1.689 1.00 0.00 C ATOM 1756 CG GLN A 111 11.687 9.625 1.007 1.00 0.00 C ATOM 1757 CD GLN A 111 11.344 10.568 -0.126 1.00 0.00 C ATOM 1758 OE1 GLN A 111 10.668 11.576 0.072 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.805 10.248 -1.324 1.00 0.00 N ATOM 0 H GLN A 111 12.834 7.637 2.378 1.00 0.00 H new ATOM 0 HA GLN A 111 14.278 8.900 0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.816 10.060 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.296 10.982 1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.758 8.608 0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.880 9.632 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.363 9.403 -1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.603 10.847 -2.125 1.00 0.00 H new ATOM 1768 N GLN A 112 15.519 9.308 3.360 1.00 0.00 N ATOM 1769 CA GLN A 112 16.643 9.860 4.110 1.00 0.00 C ATOM 1770 C GLN A 112 17.889 8.992 3.974 1.00 0.00 C ATOM 1771 O GLN A 112 18.990 9.408 4.328 1.00 0.00 O ATOM 1772 CB GLN A 112 16.269 10.043 5.583 1.00 0.00 C ATOM 1773 CG GLN A 112 16.204 8.748 6.372 1.00 0.00 C ATOM 1774 CD GLN A 112 16.311 8.979 7.864 1.00 0.00 C ATOM 1775 OE1 GLN A 112 15.318 8.893 8.590 1.00 0.00 O ATOM 1776 NE2 GLN A 112 17.515 9.276 8.329 1.00 0.00 N ATOM 0 H GLN A 112 14.864 8.762 3.919 1.00 0.00 H new ATOM 0 HA GLN A 112 16.876 10.837 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.997 10.705 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.301 10.541 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 112 15.266 8.238 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.009 8.088 6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.308 9.336 7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.649 9.445 9.326 1.00 0.00 H new ATOM 1785 N LEU A 113 17.712 7.790 3.445 1.00 0.00 N ATOM 1786 CA LEU A 113 18.827 6.872 3.256 1.00 0.00 C ATOM 1787 C LEU A 113 19.484 7.085 1.896 1.00 0.00 C ATOM 1788 O LEU A 113 20.606 6.630 1.654 1.00 0.00 O ATOM 1789 CB LEU A 113 18.352 5.425 3.386 1.00 0.00 C ATOM 1790 CG LEU A 113 18.377 4.861 4.805 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.400 3.701 4.933 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.783 4.422 5.179 1.00 0.00 C ATOM 0 H LEU A 113 16.809 7.428 3.139 1.00 0.00 H new ATOM 0 HA LEU A 113 19.566 7.074 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.334 5.357 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 113 18.975 4.796 2.750 1.00 0.00 H new ATOM 0 HG LEU A 113 18.069 5.647 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.430 3.310 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.392 4.048 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.678 2.913 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.782 4.023 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.120 3.651 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.457 5.277 5.126 1.00 0.00 H new ATOM 1804 N VAL A 114 18.783 7.784 1.011 1.00 0.00 N ATOM 1805 CA VAL A 114 19.298 8.063 -0.324 1.00 0.00 C ATOM 1806 C VAL A 114 20.603 8.871 -0.261 1.00 0.00 C ATOM 1807 O VAL A 114 21.635 8.395 -0.739 1.00 0.00 O ATOM 1808 CB VAL A 114 18.261 8.794 -1.210 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.831 9.072 -2.592 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.983 7.980 -1.320 1.00 0.00 C ATOM 0 H VAL A 114 17.856 8.168 1.194 1.00 0.00 H new ATOM 0 HA VAL A 114 19.506 7.097 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 114 18.026 9.748 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 114 18.084 9.586 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.718 9.699 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.100 8.130 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.266 8.511 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.206 7.010 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.558 7.834 -0.327 1.00 0.00 H new ATOM 1820 N PRO A 115 20.594 10.083 0.347 1.00 0.00 N ATOM 1821 CA PRO A 115 21.792 10.934 0.434 1.00 0.00 C ATOM 1822 C PRO A 115 22.923 10.278 1.222 1.00 0.00 C ATOM 1823 O PRO A 115 24.098 10.451 0.896 1.00 0.00 O ATOM 1824 CB PRO A 115 21.305 12.192 1.162 1.00 0.00 C ATOM 1825 CG PRO A 115 19.823 12.177 1.021 1.00 0.00 C ATOM 1826 CD PRO A 115 19.431 10.731 0.987 1.00 0.00 C ATOM 0 HA PRO A 115 22.206 11.132 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.601 12.179 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.733 13.092 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.346 12.692 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.512 12.688 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.251 10.339 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.517 10.575 0.414 1.00 0.00 H new ATOM 1834 N LYS A 116 22.561 9.529 2.256 1.00 0.00 N ATOM 1835 CA LYS A 116 23.541 8.831 3.082 1.00 0.00 C ATOM 1836 C LYS A 116 24.366 7.875 2.226 1.00 0.00 C ATOM 1837 O LYS A 116 25.599 7.904 2.246 1.00 0.00 O ATOM 1838 CB LYS A 116 22.836 8.065 4.209 1.00 0.00 C ATOM 1839 CG LYS A 116 23.785 7.286 5.107 1.00 0.00 C ATOM 1840 CD LYS A 116 23.302 7.275 6.547 1.00 0.00 C ATOM 1841 CE LYS A 116 24.138 6.344 7.410 1.00 0.00 C ATOM 1842 NZ LYS A 116 23.341 5.760 8.522 1.00 0.00 N ATOM 0 H LYS A 116 21.593 9.388 2.544 1.00 0.00 H new ATOM 0 HA LYS A 116 24.211 9.566 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.271 8.771 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 116 22.115 7.374 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.874 6.262 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 116 24.780 7.729 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.345 8.285 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.258 6.963 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 116 24.544 5.542 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.987 6.892 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.945 5.131 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.975 6.524 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.545 5.216 8.131 1.00 0.00 H new ATOM 1856 N ARG A 117 23.675 7.053 1.449 1.00 0.00 N ATOM 1857 CA ARG A 117 24.330 6.105 0.559 1.00 0.00 C ATOM 1858 C ARG A 117 24.993 6.832 -0.604 1.00 0.00 C ATOM 1859 O ARG A 117 26.026 6.397 -1.112 1.00 0.00 O ATOM 1860 CB ARG A 117 23.314 5.070 0.059 1.00 0.00 C ATOM 1861 CG ARG A 117 23.847 4.155 -1.030 1.00 0.00 C ATOM 1862 CD ARG A 117 24.731 3.055 -0.462 1.00 0.00 C ATOM 1863 NE ARG A 117 24.851 1.917 -1.376 1.00 0.00 N ATOM 1864 CZ ARG A 117 23.933 0.953 -1.485 1.00 0.00 C ATOM 1865 NH1 ARG A 117 22.867 0.958 -0.705 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.094 -0.039 -2.350 1.00 0.00 N ATOM 0 H ARG A 117 22.656 7.024 1.417 1.00 0.00 H new ATOM 0 HA ARG A 117 25.111 5.582 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.986 4.462 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.435 5.592 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 117 23.012 3.708 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.415 4.742 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.722 3.458 -0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.320 2.714 0.488 1.00 0.00 H new ATOM 0 HE ARG A 117 25.683 1.857 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 117 22.743 1.700 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 117 22.168 0.220 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.925 -0.071 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.387 -0.770 -2.425 1.00 0.00 H new ATOM 1880 N ASP A 118 24.406 7.953 -1.001 1.00 0.00 N ATOM 1881 CA ASP A 118 24.945 8.774 -2.080 1.00 0.00 C ATOM 1882 C ASP A 118 26.322 9.294 -1.699 1.00 0.00 C ATOM 1883 O ASP A 118 27.228 9.386 -2.528 1.00 0.00 O ATOM 1884 CB ASP A 118 24.014 9.957 -2.354 1.00 0.00 C ATOM 1885 CG ASP A 118 23.593 10.060 -3.800 1.00 0.00 C ATOM 1886 OD1 ASP A 118 24.329 10.679 -4.595 1.00 0.00 O ATOM 1887 OD2 ASP A 118 22.515 9.531 -4.137 1.00 0.00 O ATOM 0 H ASP A 118 23.548 8.318 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 118 25.025 8.162 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 118 23.126 9.864 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.514 10.880 -2.061 1.00 0.00 H new ATOM 1892 N HIS A 119 26.477 9.594 -0.417 1.00 0.00 N ATOM 1893 CA HIS A 119 27.707 10.179 0.089 1.00 0.00 C ATOM 1894 C HIS A 119 28.813 9.137 0.111 1.00 0.00 C ATOM 1895 O HIS A 119 29.938 9.400 -0.313 1.00 0.00 O ATOM 1896 CB HIS A 119 27.495 10.755 1.493 1.00 0.00 C ATOM 1897 CG HIS A 119 28.386 11.921 1.809 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.029 13.231 1.574 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.630 11.966 2.348 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.008 14.028 1.955 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.989 13.287 2.426 1.00 0.00 N ATOM 0 H HIS A 119 25.761 9.440 0.293 1.00 0.00 H new ATOM 0 HA HIS A 119 28.000 10.992 -0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.455 11.066 1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.666 9.969 2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.226 11.120 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 119 29.006 15.106 1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.874 13.639 2.790 1.00 0.00 H new ATOM 1910 N ALA A 120 28.477 7.947 0.582 1.00 0.00 N ATOM 1911 CA ALA A 120 29.441 6.859 0.652 1.00 0.00 C ATOM 1912 C ALA A 120 29.870 6.424 -0.747 1.00 0.00 C ATOM 1913 O ALA A 120 31.041 6.122 -0.984 1.00 0.00 O ATOM 1914 CB ALA A 120 28.854 5.684 1.416 1.00 0.00 C ATOM 0 H ALA A 120 27.545 7.709 0.921 1.00 0.00 H new ATOM 0 HA ALA A 120 30.324 7.216 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.586 4.877 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.599 5.999 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.956 5.332 0.908 1.00 0.00 H new ATOM 1920 N LEU A 121 28.917 6.425 -1.672 1.00 0.00 N ATOM 1921 CA LEU A 121 29.163 5.967 -3.035 1.00 0.00 C ATOM 1922 C LEU A 121 30.148 6.875 -3.757 1.00 0.00 C ATOM 1923 O LEU A 121 31.140 6.407 -4.312 1.00 0.00 O ATOM 1924 CB LEU A 121 27.854 5.899 -3.814 1.00 0.00 C ATOM 1925 CG LEU A 121 27.026 4.637 -3.572 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.575 4.867 -3.964 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.610 3.462 -4.337 1.00 0.00 C ATOM 0 H LEU A 121 27.962 6.740 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 121 29.600 4.970 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.249 6.768 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.077 5.971 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 121 27.059 4.402 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 121 25.001 3.958 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.162 5.680 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.521 5.128 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 121 27.008 2.572 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.610 3.686 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.632 3.283 -4.004 1.00 0.00 H new ATOM 1939 N LEU A 122 29.876 8.174 -3.739 1.00 0.00 N ATOM 1940 CA LEU A 122 30.722 9.142 -4.430 1.00 0.00 C ATOM 1941 C LEU A 122 32.126 9.164 -3.839 1.00 0.00 C ATOM 1942 O LEU A 122 33.109 9.285 -4.571 1.00 0.00 O ATOM 1943 CB LEU A 122 30.100 10.539 -4.365 1.00 0.00 C ATOM 1944 CG LEU A 122 29.273 10.934 -5.588 1.00 0.00 C ATOM 1945 CD1 LEU A 122 27.942 11.537 -5.159 1.00 0.00 C ATOM 1946 CD2 LEU A 122 30.050 11.906 -6.462 1.00 0.00 C ATOM 0 H LEU A 122 29.077 8.582 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 122 30.796 8.837 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.465 10.597 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.898 11.270 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 122 29.067 10.038 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 122 27.366 11.813 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 122 27.383 10.806 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 122 28.123 12.424 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 122 29.447 12.178 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 122 30.286 12.803 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 122 30.975 11.436 -6.796 1.00 0.00 H new ATOM 1958 N GLU A 123 32.217 9.036 -2.522 1.00 0.00 N ATOM 1959 CA GLU A 123 33.508 9.018 -1.849 1.00 0.00 C ATOM 1960 C GLU A 123 34.312 7.790 -2.266 1.00 0.00 C ATOM 1961 O GLU A 123 35.521 7.872 -2.490 1.00 0.00 O ATOM 1962 CB GLU A 123 33.320 9.034 -0.331 1.00 0.00 C ATOM 1963 CG GLU A 123 33.516 10.407 0.301 1.00 0.00 C ATOM 1964 CD GLU A 123 33.366 11.547 -0.687 1.00 0.00 C ATOM 1965 OE1 GLU A 123 34.372 11.922 -1.327 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.247 12.087 -0.816 1.00 0.00 O ATOM 0 H GLU A 123 31.414 8.943 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 123 34.059 9.911 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 123 32.318 8.676 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 123 34.023 8.334 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 123 32.793 10.535 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.507 10.454 0.752 1.00 0.00 H new ATOM 1973 N GLU A 124 33.633 6.655 -2.379 1.00 0.00 N ATOM 1974 CA GLU A 124 34.276 5.416 -2.778 1.00 0.00 C ATOM 1975 C GLU A 124 34.658 5.452 -4.250 1.00 0.00 C ATOM 1976 O GLU A 124 35.819 5.239 -4.599 1.00 0.00 O ATOM 1977 CB GLU A 124 33.348 4.228 -2.513 1.00 0.00 C ATOM 1978 CG GLU A 124 33.754 3.381 -1.319 1.00 0.00 C ATOM 1979 CD GLU A 124 35.201 2.932 -1.377 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.473 1.846 -1.933 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.073 3.654 -0.847 1.00 0.00 O ATOM 0 H GLU A 124 32.633 6.570 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 124 35.184 5.301 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.336 4.599 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.321 3.596 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.592 3.951 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.109 2.504 -1.266 1.00 0.00 H new ATOM 1988 N GLN A 125 33.686 5.762 -5.106 1.00 0.00 N ATOM 1989 CA GLN A 125 33.887 5.733 -6.552 1.00 0.00 C ATOM 1990 C GLN A 125 35.024 6.652 -6.983 1.00 0.00 C ATOM 1991 O GLN A 125 35.669 6.410 -7.998 1.00 0.00 O ATOM 1992 CB GLN A 125 32.596 6.113 -7.287 1.00 0.00 C ATOM 1993 CG GLN A 125 32.248 7.593 -7.222 1.00 0.00 C ATOM 1994 CD GLN A 125 32.032 8.208 -8.593 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.492 9.314 -8.866 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.332 7.498 -9.464 1.00 0.00 N ATOM 0 H GLN A 125 32.746 6.038 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 125 34.161 4.712 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.688 5.819 -8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.770 5.539 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.346 7.723 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.049 8.128 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.966 6.583 -9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.158 7.866 -10.399 1.00 0.00 H new ATOM 2005 N SER A 126 35.280 7.694 -6.204 1.00 0.00 N ATOM 2006 CA SER A 126 36.310 8.659 -6.558 1.00 0.00 C ATOM 2007 C SER A 126 37.698 8.034 -6.543 1.00 0.00 C ATOM 2008 O SER A 126 38.559 8.390 -7.350 1.00 0.00 O ATOM 2009 CB SER A 126 36.260 9.860 -5.615 1.00 0.00 C ATOM 2010 OG SER A 126 35.057 10.596 -5.789 1.00 0.00 O ATOM 0 H SER A 126 34.793 7.891 -5.330 1.00 0.00 H new ATOM 0 HA SER A 126 36.110 8.995 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 126 36.336 9.519 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.117 10.508 -5.800 1.00 0.00 H new ATOM 0 HG SER A 126 34.298 10.062 -5.474 1.00 0.00 H new ATOM 2016 N LYS A 127 37.913 7.091 -5.646 1.00 0.00 N ATOM 2017 CA LYS A 127 39.194 6.416 -5.561 1.00 0.00 C ATOM 2018 C LYS A 127 39.068 4.989 -6.074 1.00 0.00 C ATOM 2019 O LYS A 127 39.989 4.180 -5.932 1.00 0.00 O ATOM 2020 CB LYS A 127 39.715 6.422 -4.118 1.00 0.00 C ATOM 2021 CG LYS A 127 38.805 5.707 -3.130 1.00 0.00 C ATOM 2022 CD LYS A 127 39.459 4.449 -2.578 1.00 0.00 C ATOM 2023 CE LYS A 127 39.460 4.435 -1.059 1.00 0.00 C ATOM 2024 NZ LYS A 127 38.655 3.309 -0.516 1.00 0.00 N ATOM 0 H LYS A 127 37.220 6.776 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 127 39.910 6.952 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 127 40.699 5.953 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.847 7.454 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 127 38.558 6.380 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 127 37.868 5.445 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 127 38.930 3.571 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 127 40.484 4.382 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 127 40.485 4.356 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 127 39.062 5.379 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 38.762 3.272 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.653 3.452 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 38.986 2.414 -0.930 1.00 0.00 H new ATOM 2038 N GLN A 128 37.927 4.682 -6.680 1.00 0.00 N ATOM 2039 CA GLN A 128 37.654 3.315 -7.104 1.00 0.00 C ATOM 2040 C GLN A 128 37.142 3.242 -8.536 1.00 0.00 C ATOM 2041 O GLN A 128 36.453 2.295 -8.899 1.00 0.00 O ATOM 2042 CB GLN A 128 36.644 2.661 -6.162 1.00 0.00 C ATOM 2043 CG GLN A 128 37.233 2.288 -4.817 1.00 0.00 C ATOM 2044 CD GLN A 128 37.436 0.797 -4.670 1.00 0.00 C ATOM 2045 OE1 GLN A 128 38.221 0.193 -5.403 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.740 0.195 -3.721 1.00 0.00 N ATOM 0 H GLN A 128 37.185 5.351 -6.887 1.00 0.00 H new ATOM 0 HA GLN A 128 38.600 2.775 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 128 35.807 3.342 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 128 36.243 1.765 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 128 38.189 2.796 -4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.574 2.642 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.101 0.735 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 128 36.842 -0.809 -3.573 1.00 0.00 H new ATOM 2055 N GLN A 129 37.469 4.241 -9.338 1.00 0.00 N ATOM 2056 CA GLN A 129 37.123 4.247 -10.745 1.00 0.00 C ATOM 2057 C GLN A 129 38.199 4.988 -11.536 1.00 0.00 C ATOM 2058 O GLN A 129 38.741 5.985 -11.008 1.00 0.00 O ATOM 2059 CB GLN A 129 35.735 4.871 -10.952 1.00 0.00 C ATOM 2060 CG GLN A 129 35.742 6.357 -11.269 1.00 0.00 C ATOM 2061 CD GLN A 129 34.501 6.787 -12.021 1.00 0.00 C ATOM 2062 OE1 GLN A 129 34.478 7.836 -12.664 1.00 0.00 O ATOM 2063 NE2 GLN A 129 33.459 5.979 -11.942 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.527 4.550 -12.661 1.00 0.00 O ATOM 0 H GLN A 129 37.981 5.068 -9.031 1.00 0.00 H new ATOM 0 HA GLN A 129 37.077 3.222 -11.113 1.00 0.00 H new ATOM 0 HB2 GLN A 129 35.233 4.344 -11.763 1.00 0.00 H new ATOM 0 HB3 GLN A 129 35.142 4.709 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 129 35.817 6.924 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 129 36.625 6.596 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 129 33.521 5.119 -11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 129 32.592 6.215 -12.425 1.00 0.00 H new TER 2073 GLN A 129