USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 46:sc= 0.139 USER MOD Single : A 6 THR OG1 : rot 150:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.015) USER MOD Single : A 19 ASN : amide:sc= 0.913 K(o=0.91,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.9!) USER MOD Single : A 39 THR OG1 : rot 124:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -106:sc= 0.467 (180deg=0.00019) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.922 K(o=0.92,f=-0.003) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.284) USER MOD Single : A 61 ASN : amide:sc= 0.46 K(o=0.46,f=-5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.166 K(o=0.17,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 0.957 (180deg=0.482) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= -0.0139 (180deg=-0.109) USER MOD Single : A 74 HIS : no HE2:sc= 0.429 K(o=0.43,f=-4.9!) USER MOD Single : A 77 ASN : amide:sc= 0.668 K(o=0.67,f=-0.29) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0.988 (180deg=0.959) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -11:sc= 0.00298 USER MOD Single : A 97 SER OG : rot -93:sc= 0.745 USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.194) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0592 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.7!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.719 -17.604 10.717 1.00 0.00 N ATOM 2 CA GLU A 1 -19.704 -17.245 11.741 1.00 0.00 C ATOM 3 C GLU A 1 -18.815 -16.104 11.230 1.00 0.00 C ATOM 4 O GLU A 1 -18.147 -16.247 10.205 1.00 0.00 O ATOM 5 CB GLU A 1 -18.878 -18.482 12.149 1.00 0.00 C ATOM 6 CG GLU A 1 -17.916 -18.203 13.310 1.00 0.00 C ATOM 7 CD GLU A 1 -17.214 -19.495 13.763 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.178 -19.872 13.161 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.693 -20.145 14.724 1.00 0.00 O ATOM 0 H1 GLU A 1 -21.315 -18.378 11.075 1.00 0.00 H new ATOM 0 H2 GLU A 1 -21.314 -16.776 10.512 1.00 0.00 H new ATOM 0 H3 GLU A 1 -20.240 -17.910 9.846 1.00 0.00 H new ATOM 0 HA GLU A 1 -20.214 -16.891 12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -19.556 -19.288 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.308 -18.832 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.172 -17.468 13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.465 -17.770 14.146 1.00 0.00 H new ATOM 18 N GLU A 2 -18.832 -14.951 11.905 1.00 0.00 N ATOM 19 CA GLU A 2 -17.973 -13.797 11.576 1.00 0.00 C ATOM 20 C GLU A 2 -16.478 -14.042 11.884 1.00 0.00 C ATOM 21 O GLU A 2 -16.126 -14.910 12.690 1.00 0.00 O ATOM 22 CB GLU A 2 -18.497 -12.532 12.285 1.00 0.00 C ATOM 23 CG GLU A 2 -18.408 -12.574 13.819 1.00 0.00 C ATOM 24 CD GLU A 2 -19.047 -11.315 14.438 1.00 0.00 C ATOM 25 OE1 GLU A 2 -18.346 -10.285 14.596 1.00 0.00 O ATOM 26 OE2 GLU A 2 -20.255 -11.346 14.776 1.00 0.00 O ATOM 0 H GLU A 2 -19.446 -14.785 12.703 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.028 -13.650 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.934 -11.671 11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.537 -12.376 11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.912 -13.465 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.365 -12.646 14.126 1.00 0.00 H new ATOM 33 N LYS A 3 -15.592 -13.254 11.257 1.00 0.00 N ATOM 34 CA LYS A 3 -14.125 -13.350 11.396 1.00 0.00 C ATOM 35 C LYS A 3 -13.428 -11.990 11.258 1.00 0.00 C ATOM 36 O LYS A 3 -13.985 -11.049 10.690 1.00 0.00 O ATOM 37 CB LYS A 3 -13.571 -14.384 10.397 1.00 0.00 C ATOM 38 CG LYS A 3 -13.801 -14.022 8.920 1.00 0.00 C ATOM 39 CD LYS A 3 -13.259 -15.138 8.015 1.00 0.00 C ATOM 40 CE LYS A 3 -13.411 -14.818 6.520 1.00 0.00 C ATOM 41 NZ LYS A 3 -14.832 -14.818 6.076 1.00 0.00 N ATOM 0 H LYS A 3 -15.881 -12.511 10.621 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.907 -13.691 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.501 -14.500 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.033 -15.350 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.865 -13.876 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.305 -13.080 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.206 -15.304 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.783 -16.067 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.970 -13.843 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.852 -15.550 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.879 -14.597 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.249 -15.756 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.363 -14.101 6.611 1.00 0.00 H new ATOM 55 N TYR A 4 -12.206 -11.901 11.785 1.00 0.00 N ATOM 56 CA TYR A 4 -11.424 -10.662 11.915 1.00 0.00 C ATOM 57 C TYR A 4 -9.903 -10.937 11.918 1.00 0.00 C ATOM 58 O TYR A 4 -9.147 -10.356 12.696 1.00 0.00 O ATOM 59 CB TYR A 4 -11.915 -9.869 13.147 1.00 0.00 C ATOM 60 CG TYR A 4 -12.007 -10.641 14.457 1.00 0.00 C ATOM 61 CD1 TYR A 4 -10.910 -10.688 15.340 1.00 0.00 C ATOM 62 CD2 TYR A 4 -13.210 -11.291 14.806 1.00 0.00 C ATOM 63 CE1 TYR A 4 -11.007 -11.391 16.557 1.00 0.00 C ATOM 64 CE2 TYR A 4 -13.313 -11.995 16.021 1.00 0.00 C ATOM 65 CZ TYR A 4 -12.208 -12.048 16.901 1.00 0.00 C ATOM 66 OH TYR A 4 -12.296 -12.721 18.083 1.00 0.00 O ATOM 0 H TYR A 4 -11.712 -12.717 12.147 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.590 -10.036 11.038 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.246 -9.021 13.296 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.900 -9.462 12.921 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.991 -10.183 15.083 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -14.057 -11.248 14.137 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.161 -11.427 17.228 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.235 -12.494 16.280 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.189 -13.116 18.169 1.00 0.00 H new ATOM 76 N THR A 5 -9.437 -11.851 11.059 1.00 0.00 N ATOM 77 CA THR A 5 -8.040 -12.330 11.027 1.00 0.00 C ATOM 78 C THR A 5 -7.493 -12.429 9.596 1.00 0.00 C ATOM 79 O THR A 5 -7.824 -13.348 8.844 1.00 0.00 O ATOM 80 CB THR A 5 -7.887 -13.677 11.761 1.00 0.00 C ATOM 81 OG1 THR A 5 -8.809 -14.643 11.287 1.00 0.00 O ATOM 82 CG2 THR A 5 -8.116 -13.553 13.269 1.00 0.00 C ATOM 0 H THR A 5 -10.027 -12.290 10.352 1.00 0.00 H new ATOM 0 HA THR A 5 -7.445 -11.585 11.554 1.00 0.00 H new ATOM 0 HB THR A 5 -6.862 -13.988 11.562 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.817 -14.634 10.307 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.996 -14.530 13.737 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.391 -12.857 13.691 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.124 -13.183 13.455 1.00 0.00 H new ATOM 90 N THR A 6 -6.653 -11.465 9.207 1.00 0.00 N ATOM 91 CA THR A 6 -5.976 -11.400 7.897 1.00 0.00 C ATOM 92 C THR A 6 -5.070 -12.608 7.648 1.00 0.00 C ATOM 93 O THR A 6 -4.055 -12.771 8.325 1.00 0.00 O ATOM 94 CB THR A 6 -5.117 -10.127 7.809 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.925 -8.983 7.966 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.372 -10.003 6.480 1.00 0.00 C ATOM 0 H THR A 6 -6.414 -10.679 9.812 1.00 0.00 H new ATOM 0 HA THR A 6 -6.760 -11.393 7.140 1.00 0.00 H new ATOM 0 HB THR A 6 -4.381 -10.202 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.400 -8.266 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.783 -9.086 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.710 -10.859 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.091 -9.975 5.661 1.00 0.00 H new ATOM 104 N LYS A 7 -5.390 -13.418 6.633 1.00 0.00 N ATOM 105 CA LYS A 7 -4.562 -14.516 6.130 1.00 0.00 C ATOM 106 C LYS A 7 -4.791 -14.729 4.628 1.00 0.00 C ATOM 107 O LYS A 7 -5.928 -14.787 4.165 1.00 0.00 O ATOM 108 CB LYS A 7 -4.825 -15.775 6.983 1.00 0.00 C ATOM 109 CG LYS A 7 -5.911 -16.758 6.511 1.00 0.00 C ATOM 110 CD LYS A 7 -7.340 -16.184 6.426 1.00 0.00 C ATOM 111 CE LYS A 7 -8.088 -16.808 5.242 1.00 0.00 C ATOM 112 NZ LYS A 7 -8.426 -18.239 5.469 1.00 0.00 N ATOM 0 H LYS A 7 -6.267 -13.322 6.121 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.504 -14.271 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.888 -16.326 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.087 -15.447 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.631 -17.135 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.922 -17.612 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.877 -16.386 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.299 -15.101 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.004 -16.247 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.476 -16.721 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.930 -18.612 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.552 -18.783 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.032 -18.323 6.310 1.00 0.00 H new ATOM 126 N TYR A 8 -3.707 -14.881 3.881 1.00 0.00 N ATOM 127 CA TYR A 8 -3.681 -15.126 2.438 1.00 0.00 C ATOM 128 C TYR A 8 -2.494 -16.047 2.127 1.00 0.00 C ATOM 129 O TYR A 8 -1.366 -15.721 2.488 1.00 0.00 O ATOM 130 CB TYR A 8 -3.529 -13.800 1.665 1.00 0.00 C ATOM 131 CG TYR A 8 -4.450 -12.656 2.066 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.849 -12.810 2.005 1.00 0.00 C ATOM 133 CD2 TYR A 8 -3.903 -11.432 2.502 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.698 -11.767 2.422 1.00 0.00 C ATOM 135 CE2 TYR A 8 -4.748 -10.372 2.880 1.00 0.00 C ATOM 136 CZ TYR A 8 -6.149 -10.538 2.851 1.00 0.00 C ATOM 137 OH TYR A 8 -6.960 -9.522 3.253 1.00 0.00 O ATOM 0 H TYR A 8 -2.770 -14.835 4.282 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.616 -15.593 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.499 -13.460 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.686 -14.005 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.272 -13.733 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.831 -11.307 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.769 -11.907 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.323 -9.430 3.193 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.414 -8.752 3.516 1.00 0.00 H new ATOM 147 N ASP A 9 -2.734 -17.209 1.508 1.00 0.00 N ATOM 148 CA ASP A 9 -1.716 -18.235 1.197 1.00 0.00 C ATOM 149 C ASP A 9 -0.711 -18.520 2.347 1.00 0.00 C ATOM 150 O ASP A 9 0.500 -18.620 2.138 1.00 0.00 O ATOM 151 CB ASP A 9 -1.051 -17.890 -0.151 1.00 0.00 C ATOM 152 CG ASP A 9 -0.210 -19.045 -0.729 1.00 0.00 C ATOM 153 OD1 ASP A 9 -0.642 -20.221 -0.649 1.00 0.00 O ATOM 154 OD2 ASP A 9 0.864 -18.778 -1.323 1.00 0.00 O ATOM 0 H ASP A 9 -3.669 -17.475 1.198 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.225 -19.194 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.823 -17.617 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.414 -17.015 -0.021 1.00 0.00 H new ATOM 159 N ASN A 10 -1.225 -18.628 3.582 1.00 0.00 N ATOM 160 CA ASN A 10 -0.471 -18.830 4.835 1.00 0.00 C ATOM 161 C ASN A 10 0.429 -17.652 5.265 1.00 0.00 C ATOM 162 O ASN A 10 1.459 -17.849 5.916 1.00 0.00 O ATOM 163 CB ASN A 10 0.236 -20.205 4.836 1.00 0.00 C ATOM 164 CG ASN A 10 -0.701 -21.360 4.521 1.00 0.00 C ATOM 165 OD1 ASN A 10 -1.635 -21.653 5.257 1.00 0.00 O ATOM 166 ND2 ASN A 10 -0.491 -22.052 3.423 1.00 0.00 N ATOM 0 H ASN A 10 -2.230 -18.574 3.745 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.213 -18.845 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.044 -20.191 4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.692 -20.371 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.105 -22.831 3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.286 -21.810 2.808 1.00 0.00 H new ATOM 173 N VAL A 11 0.017 -16.416 4.955 1.00 0.00 N ATOM 174 CA VAL A 11 0.713 -15.175 5.343 1.00 0.00 C ATOM 175 C VAL A 11 -0.263 -14.121 5.852 1.00 0.00 C ATOM 176 O VAL A 11 -1.350 -13.943 5.302 1.00 0.00 O ATOM 177 CB VAL A 11 1.529 -14.578 4.172 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.752 -13.867 4.748 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.036 -15.601 3.151 1.00 0.00 C ATOM 0 H VAL A 11 -0.830 -16.243 4.414 1.00 0.00 H new ATOM 0 HA VAL A 11 1.397 -15.451 6.145 1.00 0.00 H new ATOM 0 HB VAL A 11 0.846 -13.913 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.340 -13.439 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.428 -13.072 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.362 -14.582 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.596 -15.088 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.685 -16.321 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.188 -16.123 2.707 1.00 0.00 H new ATOM 189 N ASN A 12 0.132 -13.419 6.915 1.00 0.00 N ATOM 190 CA ASN A 12 -0.606 -12.299 7.502 1.00 0.00 C ATOM 191 C ASN A 12 -0.046 -10.947 7.032 1.00 0.00 C ATOM 192 O ASN A 12 1.067 -10.848 6.511 1.00 0.00 O ATOM 193 CB ASN A 12 -0.484 -12.361 9.035 1.00 0.00 C ATOM 194 CG ASN A 12 -1.404 -13.347 9.743 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.047 -13.021 10.732 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.476 -14.582 9.303 1.00 0.00 N ATOM 0 H ASN A 12 1.002 -13.621 7.407 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.646 -12.381 7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.546 -12.612 9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.676 -11.365 9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.065 -15.262 9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.943 -14.862 8.479 1.00 0.00 H new ATOM 203 N LEU A 13 -0.792 -9.882 7.333 1.00 0.00 N ATOM 204 CA LEU A 13 -0.364 -8.495 7.141 1.00 0.00 C ATOM 205 C LEU A 13 0.943 -8.142 7.848 1.00 0.00 C ATOM 206 O LEU A 13 1.795 -7.524 7.230 1.00 0.00 O ATOM 207 CB LEU A 13 -1.489 -7.549 7.599 1.00 0.00 C ATOM 208 CG LEU A 13 -2.115 -6.822 6.407 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.365 -6.071 6.873 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.159 -5.787 5.819 1.00 0.00 C ATOM 0 H LEU A 13 -1.730 -9.962 7.725 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.164 -8.374 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.255 -8.118 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.091 -6.821 8.305 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.352 -7.572 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.814 -5.552 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.083 -6.780 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.090 -5.346 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.636 -5.290 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.909 -5.049 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.249 -6.283 5.481 1.00 0.00 H new ATOM 222 N ASP A 14 1.142 -8.540 9.105 1.00 0.00 N ATOM 223 CA ASP A 14 2.348 -8.166 9.863 1.00 0.00 C ATOM 224 C ASP A 14 3.672 -8.601 9.204 1.00 0.00 C ATOM 225 O ASP A 14 4.702 -7.965 9.414 1.00 0.00 O ATOM 226 CB ASP A 14 2.253 -8.676 11.302 1.00 0.00 C ATOM 227 CG ASP A 14 1.210 -7.891 12.118 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.305 -6.640 12.187 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.284 -8.521 12.679 1.00 0.00 O ATOM 0 H ASP A 14 0.486 -9.122 9.625 1.00 0.00 H new ATOM 0 HA ASP A 14 2.376 -7.076 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.989 -9.734 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.228 -8.593 11.782 1.00 0.00 H new ATOM 234 N GLU A 15 3.647 -9.644 8.370 1.00 0.00 N ATOM 235 CA GLU A 15 4.782 -10.049 7.534 1.00 0.00 C ATOM 236 C GLU A 15 4.915 -9.179 6.268 1.00 0.00 C ATOM 237 O GLU A 15 6.028 -8.929 5.831 1.00 0.00 O ATOM 238 CB GLU A 15 4.625 -11.535 7.166 1.00 0.00 C ATOM 239 CG GLU A 15 5.832 -12.151 6.435 1.00 0.00 C ATOM 240 CD GLU A 15 7.127 -12.272 7.267 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.080 -12.249 8.521 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.211 -12.422 6.651 1.00 0.00 O ATOM 0 H GLU A 15 2.827 -10.239 8.254 1.00 0.00 H new ATOM 0 HA GLU A 15 5.700 -9.903 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.442 -12.103 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.742 -11.648 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.553 -13.145 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.044 -11.549 5.551 1.00 0.00 H new ATOM 249 N ILE A 16 3.821 -8.666 5.695 1.00 0.00 N ATOM 250 CA ILE A 16 3.815 -7.827 4.470 1.00 0.00 C ATOM 251 C ILE A 16 4.637 -6.554 4.667 1.00 0.00 C ATOM 252 O ILE A 16 5.641 -6.366 3.979 1.00 0.00 O ATOM 253 CB ILE A 16 2.357 -7.561 3.985 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.729 -8.848 3.409 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.192 -6.422 2.969 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.380 -9.338 2.099 1.00 0.00 C ATOM 0 H ILE A 16 2.886 -8.821 6.072 1.00 0.00 H new ATOM 0 HA ILE A 16 4.306 -8.375 3.666 1.00 0.00 H new ATOM 0 HB ILE A 16 1.834 -7.235 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.801 -9.639 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.668 -8.673 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.140 -6.324 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.543 -5.488 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.776 -6.644 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.880 -10.246 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.285 -8.567 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.435 -9.548 2.273 1.00 0.00 H new ATOM 268 N LEU A 17 4.304 -5.730 5.662 1.00 0.00 N ATOM 269 CA LEU A 17 5.086 -4.522 5.973 1.00 0.00 C ATOM 270 C LEU A 17 6.501 -4.820 6.522 1.00 0.00 C ATOM 271 O LEU A 17 7.381 -3.965 6.420 1.00 0.00 O ATOM 272 CB LEU A 17 4.303 -3.639 6.956 1.00 0.00 C ATOM 273 CG LEU A 17 3.636 -4.386 8.132 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.610 -3.462 9.329 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.159 -4.706 7.908 1.00 0.00 C ATOM 0 H LEU A 17 3.498 -5.874 6.270 1.00 0.00 H new ATOM 0 HA LEU A 17 5.238 -3.995 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.981 -2.888 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.531 -3.105 6.402 1.00 0.00 H new ATOM 0 HG LEU A 17 4.209 -5.305 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.142 -3.971 10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.629 -3.182 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.040 -2.566 9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.764 -5.230 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.604 -3.779 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.053 -5.337 7.025 1.00 0.00 H new ATOM 287 N ALA A 18 6.734 -6.009 7.093 1.00 0.00 N ATOM 288 CA ALA A 18 8.037 -6.432 7.621 1.00 0.00 C ATOM 289 C ALA A 18 8.954 -7.104 6.575 1.00 0.00 C ATOM 290 O ALA A 18 10.164 -7.212 6.795 1.00 0.00 O ATOM 291 CB ALA A 18 7.785 -7.383 8.795 1.00 0.00 C ATOM 0 H ALA A 18 6.008 -6.717 7.203 1.00 0.00 H new ATOM 0 HA ALA A 18 8.572 -5.536 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.739 -7.713 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.216 -6.865 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.221 -8.248 8.448 1.00 0.00 H new ATOM 297 N ASN A 19 8.401 -7.541 5.439 1.00 0.00 N ATOM 298 CA ASN A 19 9.077 -8.318 4.403 1.00 0.00 C ATOM 299 C ASN A 19 8.968 -7.604 3.052 1.00 0.00 C ATOM 300 O ASN A 19 8.060 -7.852 2.255 1.00 0.00 O ATOM 301 CB ASN A 19 8.524 -9.749 4.351 1.00 0.00 C ATOM 302 CG ASN A 19 9.503 -10.704 3.699 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.155 -10.386 2.717 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.662 -11.885 4.243 1.00 0.00 N ATOM 0 H ASN A 19 7.425 -7.352 5.209 1.00 0.00 H new ATOM 0 HA ASN A 19 10.136 -8.396 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.301 -10.090 5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.585 -9.756 3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.333 -12.543 3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.115 -12.146 5.063 1.00 0.00 H new ATOM 311 N ASP A 20 9.909 -6.700 2.784 1.00 0.00 N ATOM 312 CA ASP A 20 9.938 -5.939 1.534 1.00 0.00 C ATOM 313 C ASP A 20 9.983 -6.831 0.277 1.00 0.00 C ATOM 314 O ASP A 20 9.548 -6.383 -0.782 1.00 0.00 O ATOM 315 CB ASP A 20 11.088 -4.928 1.537 1.00 0.00 C ATOM 316 CG ASP A 20 10.982 -3.927 2.698 1.00 0.00 C ATOM 317 OD1 ASP A 20 10.228 -2.935 2.569 1.00 0.00 O ATOM 318 OD2 ASP A 20 11.661 -4.130 3.733 1.00 0.00 O ATOM 0 H ASP A 20 10.671 -6.474 3.424 1.00 0.00 H new ATOM 0 HA ASP A 20 8.995 -5.395 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.037 -5.460 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.094 -4.385 0.592 1.00 0.00 H new ATOM 323 N ARG A 21 10.453 -8.089 0.366 1.00 0.00 N ATOM 324 CA ARG A 21 10.380 -9.066 -0.742 1.00 0.00 C ATOM 325 C ARG A 21 8.934 -9.348 -1.166 1.00 0.00 C ATOM 326 O ARG A 21 8.651 -9.422 -2.362 1.00 0.00 O ATOM 327 CB ARG A 21 11.064 -10.403 -0.392 1.00 0.00 C ATOM 328 CG ARG A 21 12.458 -10.272 0.244 1.00 0.00 C ATOM 329 CD ARG A 21 13.119 -11.640 0.490 1.00 0.00 C ATOM 330 NE ARG A 21 13.304 -12.426 -0.749 1.00 0.00 N ATOM 331 CZ ARG A 21 14.256 -12.296 -1.657 1.00 0.00 C ATOM 332 NH1 ARG A 21 15.203 -11.406 -1.554 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.272 -13.070 -2.705 1.00 0.00 N ATOM 0 H ARG A 21 10.895 -8.459 1.208 1.00 0.00 H new ATOM 0 HA ARG A 21 10.914 -8.603 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.420 -10.956 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.150 -10.999 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.097 -9.674 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.375 -9.736 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.088 -11.488 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.508 -12.212 1.188 1.00 0.00 H new ATOM 0 HE ARG A 21 12.614 -13.156 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.227 -10.778 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.920 -11.338 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.549 -13.779 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.008 -12.967 -3.404 1.00 0.00 H new ATOM 347 N LEU A 22 8.018 -9.462 -0.196 1.00 0.00 N ATOM 348 CA LEU A 22 6.575 -9.529 -0.458 1.00 0.00 C ATOM 349 C LEU A 22 6.056 -8.161 -0.912 1.00 0.00 C ATOM 350 O LEU A 22 5.337 -8.067 -1.904 1.00 0.00 O ATOM 351 CB LEU A 22 5.789 -9.950 0.800 1.00 0.00 C ATOM 352 CG LEU A 22 6.305 -11.177 1.567 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.526 -11.361 2.865 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.131 -12.462 0.773 1.00 0.00 C ATOM 0 H LEU A 22 8.257 -9.510 0.794 1.00 0.00 H new ATOM 0 HA LEU A 22 6.425 -10.274 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.771 -9.104 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.757 -10.144 0.506 1.00 0.00 H new ATOM 0 HG LEU A 22 7.363 -10.993 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.904 -12.235 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.646 -10.476 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.469 -11.504 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.509 -13.303 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.074 -12.616 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.685 -12.389 -0.163 1.00 0.00 H new ATOM 366 N LEU A 23 6.444 -7.096 -0.199 1.00 0.00 N ATOM 367 CA LEU A 23 5.917 -5.750 -0.420 1.00 0.00 C ATOM 368 C LEU A 23 6.163 -5.274 -1.870 1.00 0.00 C ATOM 369 O LEU A 23 5.244 -4.798 -2.533 1.00 0.00 O ATOM 370 CB LEU A 23 6.513 -4.778 0.622 1.00 0.00 C ATOM 371 CG LEU A 23 5.565 -3.652 1.050 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.855 -2.979 -0.118 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.550 -4.212 2.031 1.00 0.00 C ATOM 0 H LEU A 23 7.135 -7.147 0.549 1.00 0.00 H new ATOM 0 HA LEU A 23 4.835 -5.770 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.806 -5.346 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.421 -4.336 0.212 1.00 0.00 H new ATOM 0 HG LEU A 23 6.170 -2.876 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.201 -2.193 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.594 -2.545 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.262 -3.717 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.870 -3.419 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.982 -5.010 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.068 -4.609 2.904 1.00 0.00 H new ATOM 385 N ASN A 24 7.377 -5.477 -2.399 1.00 0.00 N ATOM 386 CA ASN A 24 7.765 -5.097 -3.767 1.00 0.00 C ATOM 387 C ASN A 24 6.835 -5.673 -4.849 1.00 0.00 C ATOM 388 O ASN A 24 6.554 -4.987 -5.829 1.00 0.00 O ATOM 389 CB ASN A 24 9.231 -5.485 -4.037 1.00 0.00 C ATOM 390 CG ASN A 24 10.189 -4.377 -3.633 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.578 -3.531 -4.426 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.582 -4.325 -2.384 1.00 0.00 N ATOM 0 H ASN A 24 8.134 -5.919 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 24 7.662 -4.014 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.474 -6.394 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.359 -5.709 -5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.209 -3.581 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.261 -5.028 -1.719 1.00 0.00 H new ATOM 399 N LYS A 25 6.306 -6.888 -4.656 1.00 0.00 N ATOM 400 CA LYS A 25 5.316 -7.519 -5.552 1.00 0.00 C ATOM 401 C LYS A 25 3.967 -6.794 -5.496 1.00 0.00 C ATOM 402 O LYS A 25 3.349 -6.536 -6.529 1.00 0.00 O ATOM 403 CB LYS A 25 5.188 -9.002 -5.160 1.00 0.00 C ATOM 404 CG LYS A 25 4.201 -9.802 -6.026 1.00 0.00 C ATOM 405 CD LYS A 25 4.089 -11.261 -5.555 1.00 0.00 C ATOM 406 CE LYS A 25 3.393 -11.385 -4.196 1.00 0.00 C ATOM 407 NZ LYS A 25 3.334 -12.801 -3.741 1.00 0.00 N ATOM 0 H LYS A 25 6.556 -7.474 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 25 5.653 -7.446 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.171 -9.469 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.873 -9.065 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.219 -9.331 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.527 -9.779 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.537 -11.838 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.086 -11.696 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.926 -10.786 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.383 -10.981 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.857 -12.850 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.805 -13.367 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.299 -13.177 -3.652 1.00 0.00 H new ATOM 421 N TYR A 26 3.532 -6.435 -4.288 1.00 0.00 N ATOM 422 CA TYR A 26 2.243 -5.789 -4.023 1.00 0.00 C ATOM 423 C TYR A 26 2.214 -4.345 -4.552 1.00 0.00 C ATOM 424 O TYR A 26 1.184 -3.908 -5.061 1.00 0.00 O ATOM 425 CB TYR A 26 1.935 -5.835 -2.514 1.00 0.00 C ATOM 426 CG TYR A 26 1.473 -7.175 -1.945 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.128 -8.384 -2.256 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.375 -7.208 -1.066 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.690 -9.603 -1.710 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.071 -8.421 -0.507 1.00 0.00 C ATOM 431 CZ TYR A 26 0.590 -9.627 -0.826 1.00 0.00 C ATOM 432 OH TYR A 26 0.196 -10.801 -0.262 1.00 0.00 O ATOM 0 H TYR A 26 4.081 -6.589 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 26 1.468 -6.339 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.831 -5.528 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.166 -5.093 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.978 -8.373 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.134 -6.289 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.196 -10.522 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.917 -8.429 0.164 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.575 -10.641 0.321 1.00 0.00 H new ATOM 442 N VAL A 27 3.339 -3.618 -4.502 1.00 0.00 N ATOM 443 CA VAL A 27 3.468 -2.275 -5.110 1.00 0.00 C ATOM 444 C VAL A 27 3.622 -2.318 -6.624 1.00 0.00 C ATOM 445 O VAL A 27 3.039 -1.481 -7.304 1.00 0.00 O ATOM 446 CB VAL A 27 4.593 -1.425 -4.484 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.288 -1.195 -3.008 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.971 -2.069 -4.582 1.00 0.00 C ATOM 0 H VAL A 27 4.189 -3.940 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 27 2.521 -1.785 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 27 4.622 -0.493 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.081 -0.595 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.337 -0.671 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.228 -2.155 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.712 -1.415 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.962 -3.028 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.226 -2.225 -5.630 1.00 0.00 H new ATOM 458 N GLN A 28 4.312 -3.316 -7.186 1.00 0.00 N ATOM 459 CA GLN A 28 4.496 -3.478 -8.644 1.00 0.00 C ATOM 460 C GLN A 28 3.176 -3.379 -9.428 1.00 0.00 C ATOM 461 O GLN A 28 3.150 -2.816 -10.522 1.00 0.00 O ATOM 462 CB GLN A 28 5.158 -4.839 -8.918 1.00 0.00 C ATOM 463 CG GLN A 28 6.275 -4.745 -9.964 1.00 0.00 C ATOM 464 CD GLN A 28 7.146 -6.000 -9.982 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.253 -6.032 -9.461 1.00 0.00 O ATOM 466 NE2 GLN A 28 6.688 -7.085 -10.570 1.00 0.00 N ATOM 0 H GLN A 28 4.767 -4.047 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 28 5.131 -2.661 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.567 -5.235 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.402 -5.546 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.837 -4.593 -10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.897 -3.875 -9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.768 -7.077 -11.009 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.254 -7.934 -10.586 1.00 0.00 H new ATOM 475 N CYS A 29 2.091 -3.839 -8.792 1.00 0.00 N ATOM 476 CA CYS A 29 0.691 -3.740 -9.202 1.00 0.00 C ATOM 477 C CYS A 29 0.245 -2.362 -9.734 1.00 0.00 C ATOM 478 O CYS A 29 -0.613 -2.287 -10.617 1.00 0.00 O ATOM 479 CB CYS A 29 -0.134 -4.147 -7.979 1.00 0.00 C ATOM 480 SG CYS A 29 -1.928 -4.203 -8.169 1.00 0.00 S ATOM 0 H CYS A 29 2.182 -4.331 -7.903 1.00 0.00 H new ATOM 0 HA CYS A 29 0.540 -4.394 -10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.202 -5.133 -7.659 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.098 -3.454 -7.170 1.00 0.00 H new ATOM 485 N LEU A 30 0.836 -1.276 -9.219 1.00 0.00 N ATOM 486 CA LEU A 30 0.582 0.104 -9.649 1.00 0.00 C ATOM 487 C LEU A 30 1.863 0.920 -9.943 1.00 0.00 C ATOM 488 O LEU A 30 1.778 2.008 -10.516 1.00 0.00 O ATOM 489 CB LEU A 30 -0.402 0.807 -8.679 1.00 0.00 C ATOM 490 CG LEU A 30 -0.083 0.925 -7.170 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.299 -0.373 -6.387 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.332 1.422 -6.891 1.00 0.00 C ATOM 0 H LEU A 30 1.525 -1.336 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 30 0.093 0.050 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.552 1.819 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.358 0.291 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.802 1.666 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.054 -0.210 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.341 -0.681 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.345 -1.154 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.491 1.482 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.053 0.730 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.465 2.410 -7.333 1.00 0.00 H new ATOM 504 N LEU A 31 3.044 0.397 -9.586 1.00 0.00 N ATOM 505 CA LEU A 31 4.360 0.974 -9.892 1.00 0.00 C ATOM 506 C LEU A 31 4.713 0.785 -11.379 1.00 0.00 C ATOM 507 O LEU A 31 5.122 1.741 -12.040 1.00 0.00 O ATOM 508 CB LEU A 31 5.394 0.391 -8.887 1.00 0.00 C ATOM 509 CG LEU A 31 6.741 -0.165 -9.395 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.675 0.915 -9.918 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.475 -0.868 -8.249 1.00 0.00 C ATOM 0 H LEU A 31 3.111 -0.472 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 31 4.362 2.056 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.620 1.175 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.898 -0.412 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 31 6.496 -0.845 -10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.604 0.458 -10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.200 1.436 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.892 1.626 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.426 -1.259 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.659 -0.157 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.864 -1.689 -7.875 1.00 0.00 H new ATOM 523 N GLU A 32 4.527 -0.421 -11.928 1.00 0.00 N ATOM 524 CA GLU A 32 4.822 -0.697 -13.340 1.00 0.00 C ATOM 525 C GLU A 32 3.761 -0.111 -14.298 1.00 0.00 C ATOM 526 O GLU A 32 2.649 0.244 -13.900 1.00 0.00 O ATOM 527 CB GLU A 32 4.966 -2.213 -13.568 1.00 0.00 C ATOM 528 CG GLU A 32 6.284 -2.780 -13.023 1.00 0.00 C ATOM 529 CD GLU A 32 7.512 -2.258 -13.795 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.752 -2.714 -14.939 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.248 -1.393 -13.263 1.00 0.00 O ATOM 0 H GLU A 32 4.171 -1.226 -11.413 1.00 0.00 H new ATOM 0 HA GLU A 32 5.765 -0.201 -13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.131 -2.727 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.901 -2.422 -14.636 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.382 -2.517 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.259 -3.868 -13.079 1.00 0.00 H new ATOM 538 N ASP A 33 4.092 -0.047 -15.593 1.00 0.00 N ATOM 539 CA ASP A 33 3.192 0.394 -16.674 1.00 0.00 C ATOM 540 C ASP A 33 2.020 -0.578 -16.967 1.00 0.00 C ATOM 541 O ASP A 33 1.126 -0.253 -17.750 1.00 0.00 O ATOM 542 CB ASP A 33 4.018 0.628 -17.950 1.00 0.00 C ATOM 543 CG ASP A 33 5.012 1.789 -17.792 1.00 0.00 C ATOM 544 OD1 ASP A 33 4.589 2.967 -17.888 1.00 0.00 O ATOM 545 OD2 ASP A 33 6.223 1.531 -17.586 1.00 0.00 O ATOM 0 H ASP A 33 5.019 -0.307 -15.931 1.00 0.00 H new ATOM 0 HA ASP A 33 2.724 1.318 -16.333 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.562 -0.283 -18.201 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.346 0.838 -18.782 1.00 0.00 H new ATOM 550 N ASP A 34 1.998 -1.754 -16.329 1.00 0.00 N ATOM 551 CA ASP A 34 0.972 -2.799 -16.456 1.00 0.00 C ATOM 552 C ASP A 34 0.651 -3.425 -15.084 1.00 0.00 C ATOM 553 O ASP A 34 1.486 -3.430 -14.175 1.00 0.00 O ATOM 554 CB ASP A 34 1.457 -3.895 -17.419 1.00 0.00 C ATOM 555 CG ASP A 34 1.575 -3.412 -18.875 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.534 -3.326 -19.571 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.712 -3.170 -19.349 1.00 0.00 O ATOM 0 H ASP A 34 2.735 -2.018 -15.675 1.00 0.00 H new ATOM 0 HA ASP A 34 0.065 -2.340 -16.850 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.428 -4.261 -17.084 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.767 -4.738 -17.377 1.00 0.00 H new ATOM 562 N GLU A 35 -0.549 -4.000 -14.948 1.00 0.00 N ATOM 563 CA GLU A 35 -1.128 -4.488 -13.682 1.00 0.00 C ATOM 564 C GLU A 35 -1.347 -6.014 -13.638 1.00 0.00 C ATOM 565 O GLU A 35 -1.921 -6.552 -12.691 1.00 0.00 O ATOM 566 CB GLU A 35 -2.413 -3.701 -13.348 1.00 0.00 C ATOM 567 CG GLU A 35 -3.613 -3.938 -14.283 1.00 0.00 C ATOM 568 CD GLU A 35 -3.477 -3.207 -15.634 1.00 0.00 C ATOM 569 OE1 GLU A 35 -2.858 -3.768 -16.569 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.994 -2.070 -15.770 1.00 0.00 O ATOM 0 H GLU A 35 -1.170 -4.146 -15.744 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.389 -4.299 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.715 -3.952 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.176 -2.637 -13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.720 -5.008 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.525 -3.606 -13.786 1.00 0.00 H new ATOM 577 N SER A 36 -0.847 -6.741 -14.639 1.00 0.00 N ATOM 578 CA SER A 36 -0.854 -8.217 -14.680 1.00 0.00 C ATOM 579 C SER A 36 -0.135 -8.857 -13.473 1.00 0.00 C ATOM 580 O SER A 36 -0.455 -9.968 -13.046 1.00 0.00 O ATOM 581 CB SER A 36 -0.183 -8.668 -15.981 1.00 0.00 C ATOM 582 OG SER A 36 -0.384 -10.052 -16.219 1.00 0.00 O ATOM 0 H SER A 36 -0.417 -6.319 -15.462 1.00 0.00 H new ATOM 0 HA SER A 36 -1.891 -8.549 -14.635 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.583 -8.093 -16.816 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.885 -8.458 -15.932 1.00 0.00 H new ATOM 0 HG SER A 36 0.055 -10.307 -17.057 1.00 0.00 H new ATOM 588 N ASN A 37 0.822 -8.122 -12.896 1.00 0.00 N ATOM 589 CA ASN A 37 1.626 -8.498 -11.731 1.00 0.00 C ATOM 590 C ASN A 37 0.939 -8.293 -10.358 1.00 0.00 C ATOM 591 O ASN A 37 1.529 -8.654 -9.337 1.00 0.00 O ATOM 592 CB ASN A 37 2.985 -7.774 -11.840 1.00 0.00 C ATOM 593 CG ASN A 37 2.860 -6.263 -11.942 1.00 0.00 C ATOM 594 OD1 ASN A 37 1.920 -5.663 -11.457 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.763 -5.596 -12.617 1.00 0.00 N ATOM 0 H ASN A 37 1.069 -7.198 -13.250 1.00 0.00 H new ATOM 0 HA ASN A 37 1.767 -9.579 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.591 -8.023 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.517 -8.147 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.672 -4.586 -12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.557 -6.086 -13.029 1.00 0.00 H new ATOM 602 N CYS A 38 -0.293 -7.770 -10.296 1.00 0.00 N ATOM 603 CA CYS A 38 -1.098 -7.788 -9.067 1.00 0.00 C ATOM 604 C CYS A 38 -1.438 -9.240 -8.670 1.00 0.00 C ATOM 605 O CYS A 38 -1.955 -9.993 -9.502 1.00 0.00 O ATOM 606 CB CYS A 38 -2.405 -7.015 -9.302 1.00 0.00 C ATOM 607 SG CYS A 38 -2.265 -5.292 -9.841 1.00 0.00 S ATOM 0 H CYS A 38 -0.757 -7.326 -11.089 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.525 -7.322 -8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.987 -7.556 -10.048 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.979 -7.033 -8.376 1.00 0.00 H new ATOM 612 N THR A 39 -1.215 -9.642 -7.412 1.00 0.00 N ATOM 613 CA THR A 39 -1.731 -10.926 -6.892 1.00 0.00 C ATOM 614 C THR A 39 -3.126 -10.729 -6.292 1.00 0.00 C ATOM 615 O THR A 39 -3.508 -9.602 -5.986 1.00 0.00 O ATOM 616 CB THR A 39 -0.763 -11.534 -5.865 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.403 -10.600 -4.874 1.00 0.00 O ATOM 618 CG2 THR A 39 0.526 -11.998 -6.542 1.00 0.00 C ATOM 0 H THR A 39 -0.682 -9.101 -6.732 1.00 0.00 H new ATOM 0 HA THR A 39 -1.811 -11.630 -7.721 1.00 0.00 H new ATOM 0 HB THR A 39 -1.286 -12.376 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.617 -10.963 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.196 -12.425 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.291 -12.753 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.012 -11.148 -7.021 1.00 0.00 H new ATOM 626 N ALA A 40 -3.923 -11.792 -6.132 1.00 0.00 N ATOM 627 CA ALA A 40 -5.318 -11.683 -5.670 1.00 0.00 C ATOM 628 C ALA A 40 -5.470 -10.988 -4.294 1.00 0.00 C ATOM 629 O ALA A 40 -6.436 -10.263 -4.050 1.00 0.00 O ATOM 630 CB ALA A 40 -5.928 -13.090 -5.655 1.00 0.00 C ATOM 0 H ALA A 40 -3.624 -12.749 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.854 -11.037 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.962 -13.035 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.898 -13.510 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.358 -13.727 -4.978 1.00 0.00 H new ATOM 636 N ASP A 41 -4.486 -11.178 -3.415 1.00 0.00 N ATOM 637 CA ASP A 41 -4.349 -10.535 -2.104 1.00 0.00 C ATOM 638 C ASP A 41 -3.766 -9.108 -2.183 1.00 0.00 C ATOM 639 O ASP A 41 -4.306 -8.190 -1.559 1.00 0.00 O ATOM 640 CB ASP A 41 -3.498 -11.441 -1.193 1.00 0.00 C ATOM 641 CG ASP A 41 -2.300 -12.137 -1.880 1.00 0.00 C ATOM 642 OD1 ASP A 41 -1.729 -11.570 -2.841 1.00 0.00 O ATOM 643 OD2 ASP A 41 -1.981 -13.289 -1.505 1.00 0.00 O ATOM 0 H ASP A 41 -3.718 -11.821 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.347 -10.414 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.121 -10.842 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.145 -12.207 -0.765 1.00 0.00 H new ATOM 648 N GLY A 42 -2.721 -8.885 -2.988 1.00 0.00 N ATOM 649 CA GLY A 42 -2.140 -7.557 -3.231 1.00 0.00 C ATOM 650 C GLY A 42 -3.113 -6.581 -3.891 1.00 0.00 C ATOM 651 O GLY A 42 -3.187 -5.414 -3.509 1.00 0.00 O ATOM 0 H GLY A 42 -2.248 -9.632 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.803 -7.137 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.259 -7.664 -3.864 1.00 0.00 H new ATOM 655 N LYS A 43 -3.920 -7.086 -4.825 1.00 0.00 N ATOM 656 CA LYS A 43 -5.065 -6.407 -5.449 1.00 0.00 C ATOM 657 C LYS A 43 -6.110 -5.982 -4.411 1.00 0.00 C ATOM 658 O LYS A 43 -6.509 -4.823 -4.395 1.00 0.00 O ATOM 659 CB LYS A 43 -5.672 -7.354 -6.503 1.00 0.00 C ATOM 660 CG LYS A 43 -6.877 -6.765 -7.262 1.00 0.00 C ATOM 661 CD LYS A 43 -7.835 -7.856 -7.761 1.00 0.00 C ATOM 662 CE LYS A 43 -7.178 -8.805 -8.773 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.150 -9.807 -9.288 1.00 0.00 N ATOM 0 H LYS A 43 -3.789 -8.030 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.724 -5.489 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.899 -7.621 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.982 -8.276 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.417 -6.080 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.520 -6.181 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.197 -8.433 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.705 -7.387 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.772 -8.229 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.340 -9.318 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.675 -10.433 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.518 -10.372 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.937 -9.317 -9.759 1.00 0.00 H new ATOM 677 N GLU A 44 -6.545 -6.883 -3.534 1.00 0.00 N ATOM 678 CA GLU A 44 -7.519 -6.561 -2.478 1.00 0.00 C ATOM 679 C GLU A 44 -6.986 -5.468 -1.530 1.00 0.00 C ATOM 680 O GLU A 44 -7.682 -4.481 -1.288 1.00 0.00 O ATOM 681 CB GLU A 44 -7.913 -7.858 -1.749 1.00 0.00 C ATOM 682 CG GLU A 44 -8.698 -7.680 -0.435 1.00 0.00 C ATOM 683 CD GLU A 44 -10.039 -6.922 -0.571 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.674 -6.965 -1.653 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.482 -6.308 0.430 1.00 0.00 O ATOM 0 H GLU A 44 -6.238 -7.856 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.420 -6.138 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.511 -8.466 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.005 -8.421 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.896 -8.665 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.068 -7.148 0.278 1.00 0.00 H new ATOM 692 N LEU A 45 -5.737 -5.588 -1.063 1.00 0.00 N ATOM 693 CA LEU A 45 -5.050 -4.567 -0.262 1.00 0.00 C ATOM 694 C LEU A 45 -4.933 -3.219 -0.999 1.00 0.00 C ATOM 695 O LEU A 45 -5.369 -2.199 -0.469 1.00 0.00 O ATOM 696 CB LEU A 45 -3.692 -5.143 0.199 1.00 0.00 C ATOM 697 CG LEU A 45 -2.752 -4.125 0.884 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.007 -4.736 2.078 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.702 -3.592 -0.099 1.00 0.00 C ATOM 0 H LEU A 45 -5.164 -6.414 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.643 -4.332 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.878 -5.965 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.180 -5.563 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.393 -3.316 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.359 -3.983 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.728 -5.082 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.404 -5.578 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.055 -2.878 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.102 -4.421 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.201 -3.098 -0.932 1.00 0.00 H new ATOM 711 N LYS A 46 -4.411 -3.181 -2.232 1.00 0.00 N ATOM 712 CA LYS A 46 -4.237 -1.915 -2.969 1.00 0.00 C ATOM 713 C LYS A 46 -5.568 -1.250 -3.325 1.00 0.00 C ATOM 714 O LYS A 46 -5.629 -0.031 -3.419 1.00 0.00 O ATOM 715 CB LYS A 46 -3.293 -2.081 -4.180 1.00 0.00 C ATOM 716 CG LYS A 46 -3.968 -2.624 -5.450 1.00 0.00 C ATOM 717 CD LYS A 46 -4.476 -1.525 -6.405 1.00 0.00 C ATOM 718 CE LYS A 46 -5.608 -1.999 -7.330 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.128 -2.882 -8.429 1.00 0.00 N ATOM 0 H LYS A 46 -4.101 -4.008 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.743 -1.219 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.844 -1.115 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.481 -2.752 -3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.259 -3.257 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.807 -3.257 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.827 -0.677 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.644 -1.169 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.352 -2.534 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.106 -1.130 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.137 -2.356 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.159 -3.198 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.753 -3.710 -8.507 1.00 0.00 H new ATOM 733 N SER A 47 -6.638 -2.030 -3.495 1.00 0.00 N ATOM 734 CA SER A 47 -7.964 -1.532 -3.901 1.00 0.00 C ATOM 735 C SER A 47 -8.656 -0.748 -2.782 1.00 0.00 C ATOM 736 O SER A 47 -9.471 0.134 -3.058 1.00 0.00 O ATOM 737 CB SER A 47 -8.852 -2.696 -4.363 1.00 0.00 C ATOM 738 OG SER A 47 -10.031 -2.233 -5.003 1.00 0.00 O ATOM 0 H SER A 47 -6.612 -3.040 -3.354 1.00 0.00 H new ATOM 0 HA SER A 47 -7.810 -0.844 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.291 -3.332 -5.048 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.121 -3.312 -3.505 1.00 0.00 H new ATOM 0 HG SER A 47 -10.572 -2.999 -5.286 1.00 0.00 H new ATOM 744 N VAL A 48 -8.303 -1.018 -1.519 1.00 0.00 N ATOM 745 CA VAL A 48 -8.811 -0.278 -0.354 1.00 0.00 C ATOM 746 C VAL A 48 -7.878 0.860 0.092 1.00 0.00 C ATOM 747 O VAL A 48 -8.337 1.791 0.755 1.00 0.00 O ATOM 748 CB VAL A 48 -9.139 -1.244 0.798 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.896 -1.953 1.314 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.779 -0.533 1.986 1.00 0.00 C ATOM 0 H VAL A 48 -7.651 -1.763 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.735 0.211 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.839 -1.964 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.172 -2.625 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.443 -2.527 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.182 -1.215 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.991 -1.257 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.096 0.226 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.708 -0.059 1.669 1.00 0.00 H new ATOM 760 N ILE A 49 -6.596 0.856 -0.310 1.00 0.00 N ATOM 761 CA ILE A 49 -5.661 1.945 0.026 1.00 0.00 C ATOM 762 C ILE A 49 -6.229 3.332 -0.353 1.00 0.00 C ATOM 763 O ILE A 49 -6.207 4.221 0.500 1.00 0.00 O ATOM 764 CB ILE A 49 -4.237 1.738 -0.566 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.484 0.659 0.245 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.397 3.038 -0.582 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.091 0.286 -0.281 1.00 0.00 C ATOM 0 H ILE A 49 -6.182 0.110 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.551 1.913 1.110 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.370 1.420 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.383 1.007 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.096 -0.243 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.414 2.831 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.902 3.790 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.282 3.410 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.652 -0.478 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.177 -0.099 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.453 1.170 -0.281 1.00 0.00 H new ATOM 779 N PRO A 50 -6.772 3.553 -1.573 1.00 0.00 N ATOM 780 CA PRO A 50 -7.339 4.847 -1.945 1.00 0.00 C ATOM 781 C PRO A 50 -8.712 5.094 -1.293 1.00 0.00 C ATOM 782 O PRO A 50 -9.095 6.245 -1.102 1.00 0.00 O ATOM 783 CB PRO A 50 -7.449 4.817 -3.473 1.00 0.00 C ATOM 784 CG PRO A 50 -7.654 3.336 -3.782 1.00 0.00 C ATOM 785 CD PRO A 50 -6.832 2.642 -2.709 1.00 0.00 C ATOM 0 HA PRO A 50 -6.708 5.664 -1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.284 5.421 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.549 5.206 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.706 3.055 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.307 3.081 -4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.290 1.695 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.831 2.414 -3.075 1.00 0.00 H new ATOM 793 N ASP A 51 -9.455 4.055 -0.894 1.00 0.00 N ATOM 794 CA ASP A 51 -10.717 4.187 -0.138 1.00 0.00 C ATOM 795 C ASP A 51 -10.490 4.822 1.247 1.00 0.00 C ATOM 796 O ASP A 51 -11.329 5.590 1.722 1.00 0.00 O ATOM 797 CB ASP A 51 -11.396 2.813 0.030 1.00 0.00 C ATOM 798 CG ASP A 51 -12.763 2.702 -0.669 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.837 2.865 -1.908 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.768 2.427 0.032 1.00 0.00 O ATOM 0 H ASP A 51 -9.199 3.087 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.368 4.846 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.734 2.041 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.525 2.610 1.093 1.00 0.00 H new ATOM 805 N ALA A 52 -9.329 4.577 1.869 1.00 0.00 N ATOM 806 CA ALA A 52 -8.872 5.272 3.078 1.00 0.00 C ATOM 807 C ALA A 52 -8.631 6.786 2.876 1.00 0.00 C ATOM 808 O ALA A 52 -8.447 7.515 3.852 1.00 0.00 O ATOM 809 CB ALA A 52 -7.627 4.562 3.618 1.00 0.00 C ATOM 0 H ALA A 52 -8.668 3.875 1.538 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.675 5.221 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.279 5.071 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.874 3.528 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.841 4.581 2.863 1.00 0.00 H new ATOM 815 N LEU A 53 -8.683 7.265 1.628 1.00 0.00 N ATOM 816 CA LEU A 53 -8.508 8.665 1.225 1.00 0.00 C ATOM 817 C LEU A 53 -9.809 9.234 0.614 1.00 0.00 C ATOM 818 O LEU A 53 -10.103 10.419 0.775 1.00 0.00 O ATOM 819 CB LEU A 53 -7.339 8.777 0.215 1.00 0.00 C ATOM 820 CG LEU A 53 -6.118 7.858 0.452 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.110 7.952 -0.693 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.383 8.172 1.753 1.00 0.00 C ATOM 0 H LEU A 53 -8.857 6.654 0.830 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.272 9.254 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.731 8.570 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.991 9.810 0.213 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.529 6.850 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.266 7.292 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.589 7.652 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.755 8.979 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.536 7.495 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.024 9.201 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.063 8.044 2.595 1.00 0.00 H new ATOM 834 N SER A 54 -10.608 8.386 -0.051 1.00 0.00 N ATOM 835 CA SER A 54 -11.870 8.751 -0.717 1.00 0.00 C ATOM 836 C SER A 54 -13.054 8.852 0.256 1.00 0.00 C ATOM 837 O SER A 54 -13.892 9.751 0.145 1.00 0.00 O ATOM 838 CB SER A 54 -12.201 7.688 -1.776 1.00 0.00 C ATOM 839 OG SER A 54 -13.115 8.209 -2.727 1.00 0.00 O ATOM 0 H SER A 54 -10.387 7.394 -0.144 1.00 0.00 H new ATOM 0 HA SER A 54 -11.724 9.735 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.288 7.367 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.628 6.807 -1.296 1.00 0.00 H new ATOM 0 HG SER A 54 -13.317 7.523 -3.397 1.00 0.00 H new ATOM 845 N ASN A 55 -13.106 7.942 1.235 1.00 0.00 N ATOM 846 CA ASN A 55 -14.180 7.807 2.228 1.00 0.00 C ATOM 847 C ASN A 55 -13.650 7.325 3.594 1.00 0.00 C ATOM 848 O ASN A 55 -14.387 6.698 4.353 1.00 0.00 O ATOM 849 CB ASN A 55 -15.314 6.909 1.669 1.00 0.00 C ATOM 850 CG ASN A 55 -14.848 5.706 0.875 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.913 5.666 -0.344 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.380 4.679 1.538 1.00 0.00 N ATOM 0 H ASN A 55 -12.369 7.249 1.363 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.604 8.794 2.414 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.925 6.561 2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.958 7.517 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.070 3.847 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.325 4.711 2.556 1.00 0.00 H new ATOM 859 N GLU A 56 -12.371 7.570 3.909 1.00 0.00 N ATOM 860 CA GLU A 56 -11.726 7.191 5.183 1.00 0.00 C ATOM 861 C GLU A 56 -11.945 5.709 5.565 1.00 0.00 C ATOM 862 O GLU A 56 -12.037 5.351 6.741 1.00 0.00 O ATOM 863 CB GLU A 56 -12.125 8.184 6.294 1.00 0.00 C ATOM 864 CG GLU A 56 -11.698 9.621 5.963 1.00 0.00 C ATOM 865 CD GLU A 56 -12.039 10.580 7.120 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.191 10.773 8.025 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.154 11.157 7.130 1.00 0.00 O ATOM 0 H GLU A 56 -11.736 8.050 3.271 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.647 7.266 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.205 8.151 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.668 7.878 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.626 9.649 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.198 9.952 5.053 1.00 0.00 H new ATOM 874 N CYS A 57 -12.044 4.840 4.547 1.00 0.00 N ATOM 875 CA CYS A 57 -12.323 3.406 4.669 1.00 0.00 C ATOM 876 C CYS A 57 -13.650 3.097 5.412 1.00 0.00 C ATOM 877 O CYS A 57 -13.788 2.066 6.064 1.00 0.00 O ATOM 878 CB CYS A 57 -11.091 2.724 5.297 1.00 0.00 C ATOM 879 SG CYS A 57 -10.659 1.053 4.735 1.00 0.00 S ATOM 0 H CYS A 57 -11.926 5.133 3.577 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.489 2.989 3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.229 3.368 5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.246 2.683 6.375 1.00 0.00 H new ATOM 884 N ALA A 58 -14.656 3.977 5.351 1.00 0.00 N ATOM 885 CA ALA A 58 -15.932 3.775 6.046 1.00 0.00 C ATOM 886 C ALA A 58 -16.738 2.550 5.559 1.00 0.00 C ATOM 887 O ALA A 58 -17.508 1.970 6.330 1.00 0.00 O ATOM 888 CB ALA A 58 -16.747 5.069 5.916 1.00 0.00 C ATOM 0 H ALA A 58 -14.609 4.847 4.820 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.714 3.550 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.704 4.949 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.196 5.893 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.921 5.285 4.862 1.00 0.00 H new ATOM 894 N LYS A 59 -16.535 2.126 4.303 1.00 0.00 N ATOM 895 CA LYS A 59 -17.141 0.916 3.707 1.00 0.00 C ATOM 896 C LYS A 59 -16.432 -0.402 4.081 1.00 0.00 C ATOM 897 O LYS A 59 -16.916 -1.484 3.740 1.00 0.00 O ATOM 898 CB LYS A 59 -17.202 1.082 2.178 1.00 0.00 C ATOM 899 CG LYS A 59 -18.137 2.239 1.787 1.00 0.00 C ATOM 900 CD LYS A 59 -18.514 2.253 0.299 1.00 0.00 C ATOM 901 CE LYS A 59 -17.486 2.891 -0.654 1.00 0.00 C ATOM 902 NZ LYS A 59 -16.313 2.016 -0.974 1.00 0.00 N ATOM 0 H LYS A 59 -15.929 2.626 3.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.143 0.829 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.201 1.271 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.552 0.156 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.048 2.175 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.656 3.184 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.687 1.225 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.459 2.784 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.988 3.159 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.122 3.817 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.446 2.445 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.452 1.078 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.225 1.916 -2.006 1.00 0.00 H new ATOM 916 N CYS A 60 -15.277 -0.323 4.740 1.00 0.00 N ATOM 917 CA CYS A 60 -14.366 -1.429 5.011 1.00 0.00 C ATOM 918 C CYS A 60 -14.775 -2.294 6.214 1.00 0.00 C ATOM 919 O CYS A 60 -15.576 -1.893 7.063 1.00 0.00 O ATOM 920 CB CYS A 60 -13.002 -0.800 5.301 1.00 0.00 C ATOM 921 SG CYS A 60 -12.343 0.206 3.952 1.00 0.00 S ATOM 0 H CYS A 60 -14.936 0.561 5.118 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.367 -2.095 4.148 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.084 -0.180 6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.290 -1.594 5.528 1.00 0.00 H new ATOM 926 N ASN A 61 -14.119 -3.448 6.333 1.00 0.00 N ATOM 927 CA ASN A 61 -13.978 -4.173 7.601 1.00 0.00 C ATOM 928 C ASN A 61 -12.838 -3.567 8.430 1.00 0.00 C ATOM 929 O ASN A 61 -11.834 -3.110 7.879 1.00 0.00 O ATOM 930 CB ASN A 61 -13.744 -5.677 7.344 1.00 0.00 C ATOM 931 CG ASN A 61 -12.575 -5.996 6.420 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.482 -5.511 5.303 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.646 -6.827 6.835 1.00 0.00 N ATOM 0 H ASN A 61 -13.665 -3.912 5.546 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.903 -4.074 8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.578 -6.173 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.652 -6.103 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.861 -7.059 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.710 -7.240 7.765 1.00 0.00 H new ATOM 940 N GLU A 62 -12.958 -3.598 9.760 1.00 0.00 N ATOM 941 CA GLU A 62 -11.997 -2.971 10.687 1.00 0.00 C ATOM 942 C GLU A 62 -10.543 -3.443 10.500 1.00 0.00 C ATOM 943 O GLU A 62 -9.604 -2.675 10.726 1.00 0.00 O ATOM 944 CB GLU A 62 -12.466 -3.144 12.143 1.00 0.00 C ATOM 945 CG GLU A 62 -12.482 -4.597 12.644 1.00 0.00 C ATOM 946 CD GLU A 62 -13.041 -4.671 14.078 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.277 -4.824 14.245 1.00 0.00 O ATOM 948 OE2 GLU A 62 -12.253 -4.579 15.050 1.00 0.00 O ATOM 0 H GLU A 62 -13.732 -4.063 10.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.982 -1.909 10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.816 -2.557 12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.470 -2.730 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.090 -5.210 11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.472 -5.007 12.620 1.00 0.00 H new ATOM 955 N LYS A 63 -10.348 -4.682 10.024 1.00 0.00 N ATOM 956 CA LYS A 63 -9.016 -5.235 9.749 1.00 0.00 C ATOM 957 C LYS A 63 -8.315 -4.539 8.582 1.00 0.00 C ATOM 958 O LYS A 63 -7.121 -4.275 8.674 1.00 0.00 O ATOM 959 CB LYS A 63 -9.109 -6.755 9.531 1.00 0.00 C ATOM 960 CG LYS A 63 -7.916 -7.507 10.138 1.00 0.00 C ATOM 961 CD LYS A 63 -7.938 -7.522 11.679 1.00 0.00 C ATOM 962 CE LYS A 63 -6.825 -8.412 12.251 1.00 0.00 C ATOM 963 NZ LYS A 63 -5.520 -7.700 12.329 1.00 0.00 N ATOM 0 H LYS A 63 -11.110 -5.328 9.819 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.395 -5.044 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.033 -7.127 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.161 -6.964 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.914 -8.533 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.990 -7.044 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.821 -6.506 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.907 -7.881 12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.111 -8.754 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.716 -9.300 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.799 -8.339 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.233 -7.396 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.615 -6.867 12.944 1.00 0.00 H new ATOM 977 N GLN A 64 -9.050 -4.174 7.526 1.00 0.00 N ATOM 978 CA GLN A 64 -8.549 -3.294 6.460 1.00 0.00 C ATOM 979 C GLN A 64 -8.364 -1.846 6.935 1.00 0.00 C ATOM 980 O GLN A 64 -7.330 -1.250 6.644 1.00 0.00 O ATOM 981 CB GLN A 64 -9.498 -3.312 5.252 1.00 0.00 C ATOM 982 CG GLN A 64 -9.567 -4.660 4.522 1.00 0.00 C ATOM 983 CD GLN A 64 -8.356 -4.960 3.644 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.200 -4.799 4.011 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.581 -5.416 2.437 1.00 0.00 N ATOM 0 H GLN A 64 -10.012 -4.481 7.384 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.572 -3.682 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.499 -3.042 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.182 -2.545 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.672 -5.455 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.464 -4.679 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.539 -5.556 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.799 -5.631 1.819 1.00 0.00 H new ATOM 994 N LYS A 65 -9.323 -1.298 7.701 1.00 0.00 N ATOM 995 CA LYS A 65 -9.249 0.069 8.272 1.00 0.00 C ATOM 996 C LYS A 65 -7.948 0.324 9.041 1.00 0.00 C ATOM 997 O LYS A 65 -7.307 1.355 8.838 1.00 0.00 O ATOM 998 CB LYS A 65 -10.447 0.389 9.187 1.00 0.00 C ATOM 999 CG LYS A 65 -11.799 0.359 8.458 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.004 0.741 9.331 1.00 0.00 C ATOM 1001 CE LYS A 65 -12.936 2.198 9.803 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.135 2.573 10.601 1.00 0.00 N ATOM 0 H LYS A 65 -10.181 -1.791 7.947 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.275 0.734 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.469 -0.328 10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.303 1.375 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.753 1.039 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.959 -0.642 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.924 0.586 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.047 0.081 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.038 2.345 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.853 2.857 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.055 3.565 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.989 2.457 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.200 1.960 11.439 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.538 -0.608 9.902 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.212 -0.572 10.537 1.00 0.00 C ATOM 1018 C GLU A 66 -5.100 -1.010 9.571 1.00 0.00 C ATOM 1019 O GLU A 66 -4.046 -0.377 9.514 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.191 -1.469 11.786 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.110 -0.948 12.899 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.880 -1.719 14.215 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -7.277 -2.905 14.313 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -6.300 -1.139 15.166 1.00 0.00 O ATOM 0 H GLU A 66 -8.109 -1.406 10.180 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.022 0.462 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.496 -2.478 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.171 -1.537 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.926 0.114 13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.151 -1.048 12.592 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.338 -2.074 8.801 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.376 -2.754 7.931 1.00 0.00 C ATOM 1033 C GLY A 67 -3.709 -1.877 6.877 1.00 0.00 C ATOM 1034 O GLY A 67 -2.485 -1.872 6.781 1.00 0.00 O ATOM 0 H GLY A 67 -6.260 -2.509 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.599 -3.197 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.886 -3.574 7.426 1.00 0.00 H new ATOM 1038 N THR A 68 -4.466 -1.095 6.105 1.00 0.00 N ATOM 1039 CA THR A 68 -3.864 -0.158 5.141 1.00 0.00 C ATOM 1040 C THR A 68 -3.270 1.074 5.819 1.00 0.00 C ATOM 1041 O THR A 68 -2.227 1.554 5.379 1.00 0.00 O ATOM 1042 CB THR A 68 -4.851 0.267 4.046 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.052 0.781 4.582 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.185 -0.936 3.168 1.00 0.00 C ATOM 0 H THR A 68 -5.486 -1.087 6.124 1.00 0.00 H new ATOM 0 HA THR A 68 -3.050 -0.708 4.668 1.00 0.00 H new ATOM 0 HB THR A 68 -4.372 1.055 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.651 1.041 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.886 -0.635 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.273 -1.315 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.635 -1.719 3.779 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.872 1.564 6.914 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.399 2.740 7.668 1.00 0.00 C ATOM 1054 C LYS A 69 -2.024 2.520 8.312 1.00 0.00 C ATOM 1055 O LYS A 69 -1.130 3.351 8.156 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.478 3.123 8.698 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.137 4.410 9.468 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.288 4.900 10.360 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.658 3.883 11.449 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.692 4.425 12.371 1.00 0.00 N ATOM 0 H LYS A 69 -4.716 1.148 7.309 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.249 3.569 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.432 3.253 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.605 2.304 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.256 4.235 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.877 5.194 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.005 5.843 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.163 5.101 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.026 2.968 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.767 3.615 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.919 3.713 13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.330 5.284 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.551 4.657 11.832 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.813 1.380 8.977 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.493 0.979 9.508 1.00 0.00 C ATOM 1076 C LYS A 70 0.517 0.775 8.382 1.00 0.00 C ATOM 1077 O LYS A 70 1.638 1.268 8.468 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.611 -0.223 10.475 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.980 -1.558 9.809 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.607 -2.599 10.752 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.643 -3.252 11.758 1.00 0.00 C ATOM 1082 NZ LYS A 70 0.168 -4.331 11.133 1.00 0.00 N ATOM 0 H LYS A 70 -2.551 0.702 9.166 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.100 1.797 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.338 -0.345 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.362 0.009 11.230 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.677 -1.361 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.082 -1.986 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.414 -2.120 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.059 -3.385 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.021 -2.492 12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.213 -3.663 12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.413 -5.042 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.381 -4.782 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.039 -3.925 10.736 1.00 0.00 H new ATOM 1096 N VAL A 71 0.140 0.100 7.301 1.00 0.00 N ATOM 1097 CA VAL A 71 1.042 -0.208 6.177 1.00 0.00 C ATOM 1098 C VAL A 71 1.494 1.030 5.416 1.00 0.00 C ATOM 1099 O VAL A 71 2.683 1.141 5.134 1.00 0.00 O ATOM 1100 CB VAL A 71 0.374 -1.242 5.262 1.00 0.00 C ATOM 1101 CG1 VAL A 71 1.046 -1.459 3.905 1.00 0.00 C ATOM 1102 CG2 VAL A 71 0.452 -2.562 6.018 1.00 0.00 C ATOM 0 H VAL A 71 -0.807 -0.256 7.171 1.00 0.00 H new ATOM 0 HA VAL A 71 1.959 -0.634 6.585 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.630 -0.880 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.492 -2.209 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.056 -0.521 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.070 -1.802 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.008 -3.350 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.496 -2.812 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.076 -2.470 6.967 1.00 0.00 H new ATOM 1112 N LEU A 72 0.606 2.002 5.191 1.00 0.00 N ATOM 1113 CA LEU A 72 0.930 3.303 4.597 1.00 0.00 C ATOM 1114 C LEU A 72 2.146 3.953 5.262 1.00 0.00 C ATOM 1115 O LEU A 72 3.037 4.419 4.555 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.354 4.162 4.569 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.278 5.687 4.768 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.616 6.256 4.310 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.115 6.074 6.244 1.00 0.00 C ATOM 0 H LEU A 72 -0.383 1.904 5.422 1.00 0.00 H new ATOM 0 HA LEU A 72 1.254 3.185 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.838 3.987 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.020 3.770 5.337 1.00 0.00 H new ATOM 0 HG LEU A 72 0.579 6.068 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.612 7.339 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.776 6.010 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.418 5.827 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.066 7.159 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.966 5.701 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.803 5.637 6.636 1.00 0.00 H new ATOM 1131 N LYS A 73 2.235 3.906 6.598 1.00 0.00 N ATOM 1132 CA LYS A 73 3.296 4.563 7.372 1.00 0.00 C ATOM 1133 C LYS A 73 4.658 3.878 7.202 1.00 0.00 C ATOM 1134 O LYS A 73 5.680 4.533 6.989 1.00 0.00 O ATOM 1135 CB LYS A 73 2.849 4.559 8.849 1.00 0.00 C ATOM 1136 CG LYS A 73 3.812 5.276 9.808 1.00 0.00 C ATOM 1137 CD LYS A 73 3.984 6.775 9.517 1.00 0.00 C ATOM 1138 CE LYS A 73 3.029 7.696 10.299 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.586 7.447 10.034 1.00 0.00 N ATOM 0 H LYS A 73 1.563 3.404 7.179 1.00 0.00 H new ATOM 0 HA LYS A 73 3.437 5.581 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.868 5.030 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.731 3.526 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.450 5.154 10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.787 4.792 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.011 7.060 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.837 6.943 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.217 7.574 11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.258 8.732 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.016 8.180 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.411 7.475 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.321 6.512 10.405 1.00 0.00 H new ATOM 1153 N HIS A 74 4.661 2.548 7.259 1.00 0.00 N ATOM 1154 CA HIS A 74 5.825 1.696 6.989 1.00 0.00 C ATOM 1155 C HIS A 74 6.292 1.841 5.540 1.00 0.00 C ATOM 1156 O HIS A 74 7.485 1.999 5.315 1.00 0.00 O ATOM 1157 CB HIS A 74 5.514 0.222 7.299 1.00 0.00 C ATOM 1158 CG HIS A 74 5.160 -0.058 8.731 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.893 -0.005 9.264 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.993 -0.557 9.691 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.930 -0.498 10.509 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.211 -0.812 10.808 1.00 0.00 N ATOM 0 H HIS A 74 3.827 2.013 7.502 1.00 0.00 H new ATOM 0 HA HIS A 74 6.630 2.026 7.645 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.689 -0.102 6.665 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.380 -0.382 7.028 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.063 0.351 8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.056 -0.722 9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.080 -0.624 11.164 1.00 0.00 H new ATOM 1171 N LEU A 75 5.383 1.846 4.565 1.00 0.00 N ATOM 1172 CA LEU A 75 5.724 1.969 3.144 1.00 0.00 C ATOM 1173 C LEU A 75 6.448 3.295 2.857 1.00 0.00 C ATOM 1174 O LEU A 75 7.497 3.285 2.220 1.00 0.00 O ATOM 1175 CB LEU A 75 4.447 1.858 2.288 1.00 0.00 C ATOM 1176 CG LEU A 75 4.230 0.482 1.638 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.394 -0.683 2.620 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.836 0.463 1.006 1.00 0.00 C ATOM 0 H LEU A 75 4.381 1.764 4.738 1.00 0.00 H new ATOM 0 HA LEU A 75 6.403 1.157 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.585 2.090 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.484 2.614 1.504 1.00 0.00 H new ATOM 0 HG LEU A 75 5.001 0.339 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.228 -1.625 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.402 -0.671 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.669 -0.583 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.662 -0.506 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.085 0.635 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.768 1.247 0.252 1.00 0.00 H new ATOM 1190 N ILE A 76 5.950 4.426 3.374 1.00 0.00 N ATOM 1191 CA ILE A 76 6.633 5.727 3.233 1.00 0.00 C ATOM 1192 C ILE A 76 7.989 5.761 3.968 1.00 0.00 C ATOM 1193 O ILE A 76 8.947 6.340 3.458 1.00 0.00 O ATOM 1194 CB ILE A 76 5.672 6.884 3.608 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.193 8.283 3.236 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.167 6.904 5.055 1.00 0.00 C ATOM 1197 CD1 ILE A 76 7.011 9.017 4.312 1.00 0.00 C ATOM 0 H ILE A 76 5.075 4.470 3.896 1.00 0.00 H new ATOM 0 HA ILE A 76 6.895 5.872 2.185 1.00 0.00 H new ATOM 0 HB ILE A 76 4.814 6.644 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.809 8.191 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.339 8.906 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.504 7.757 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.623 5.983 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.015 6.986 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.322 9.990 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.399 9.154 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.893 8.428 4.564 1.00 0.00 H new ATOM 1209 N ASN A 77 8.115 5.080 5.115 1.00 0.00 N ATOM 1210 CA ASN A 77 9.380 4.952 5.861 1.00 0.00 C ATOM 1211 C ASN A 77 10.432 4.050 5.181 1.00 0.00 C ATOM 1212 O ASN A 77 11.628 4.339 5.251 1.00 0.00 O ATOM 1213 CB ASN A 77 9.076 4.422 7.279 1.00 0.00 C ATOM 1214 CG ASN A 77 8.836 5.550 8.264 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.694 5.874 9.072 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.692 6.193 8.211 1.00 0.00 N ATOM 0 H ASN A 77 7.334 4.596 5.558 1.00 0.00 H new ATOM 0 HA ASN A 77 9.822 5.948 5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.198 3.777 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.909 3.809 7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.514 6.970 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.982 5.916 7.533 1.00 0.00 H new ATOM 1223 N HIS A 78 10.002 2.954 4.544 1.00 0.00 N ATOM 1224 CA HIS A 78 10.882 1.862 4.076 1.00 0.00 C ATOM 1225 C HIS A 78 11.025 1.746 2.554 1.00 0.00 C ATOM 1226 O HIS A 78 12.026 1.215 2.068 1.00 0.00 O ATOM 1227 CB HIS A 78 10.379 0.527 4.641 1.00 0.00 C ATOM 1228 CG HIS A 78 10.598 0.372 6.130 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.817 0.123 6.739 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.647 0.444 7.115 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.613 0.051 8.071 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.302 0.250 8.321 1.00 0.00 N ATOM 0 H HIS A 78 9.017 2.793 4.333 1.00 0.00 H new ATOM 0 HA HIS A 78 11.877 2.110 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.314 0.431 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.882 -0.289 4.122 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.590 0.618 6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.374 -0.135 8.815 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.866 0.257 9.243 1.00 0.00 H new ATOM 1241 N LYS A 79 10.065 2.279 1.798 1.00 0.00 N ATOM 1242 CA LYS A 79 10.040 2.345 0.330 1.00 0.00 C ATOM 1243 C LYS A 79 9.695 3.765 -0.148 1.00 0.00 C ATOM 1244 O LYS A 79 8.760 3.932 -0.923 1.00 0.00 O ATOM 1245 CB LYS A 79 9.082 1.254 -0.212 1.00 0.00 C ATOM 1246 CG LYS A 79 9.696 -0.148 -0.339 1.00 0.00 C ATOM 1247 CD LYS A 79 10.572 -0.317 -1.593 1.00 0.00 C ATOM 1248 CE LYS A 79 11.945 0.364 -1.480 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.945 -0.226 -2.411 1.00 0.00 N ATOM 0 H LYS A 79 9.235 2.701 2.214 1.00 0.00 H new ATOM 0 HA LYS A 79 11.030 2.136 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.214 1.195 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.719 1.565 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.297 -0.356 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.895 -0.887 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.718 -1.380 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.043 0.092 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.839 1.428 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.309 0.276 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.855 0.265 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.067 -1.236 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.612 -0.120 -3.391 1.00 0.00 H new ATOM 1263 N PRO A 80 10.443 4.802 0.275 1.00 0.00 N ATOM 1264 CA PRO A 80 10.117 6.206 -0.012 1.00 0.00 C ATOM 1265 C PRO A 80 10.079 6.521 -1.521 1.00 0.00 C ATOM 1266 O PRO A 80 9.172 7.203 -1.999 1.00 0.00 O ATOM 1267 CB PRO A 80 11.188 7.022 0.723 1.00 0.00 C ATOM 1268 CG PRO A 80 12.373 6.059 0.818 1.00 0.00 C ATOM 1269 CD PRO A 80 11.718 4.692 0.974 1.00 0.00 C ATOM 0 HA PRO A 80 9.112 6.452 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.450 7.927 0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.846 7.336 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.998 6.104 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.013 6.295 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.338 3.906 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.572 4.442 2.025 1.00 0.00 H new ATOM 1277 N ASP A 81 11.031 5.978 -2.286 1.00 0.00 N ATOM 1278 CA ASP A 81 11.128 6.179 -3.742 1.00 0.00 C ATOM 1279 C ASP A 81 9.998 5.494 -4.543 1.00 0.00 C ATOM 1280 O ASP A 81 9.614 5.980 -5.611 1.00 0.00 O ATOM 1281 CB ASP A 81 12.490 5.673 -4.243 1.00 0.00 C ATOM 1282 CG ASP A 81 13.668 6.344 -3.525 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.071 7.470 -3.905 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.201 5.743 -2.565 1.00 0.00 O ATOM 0 H ASP A 81 11.766 5.379 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 81 11.023 7.251 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.548 4.594 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.570 5.856 -5.314 1.00 0.00 H new ATOM 1289 N VAL A 82 9.453 4.369 -4.055 1.00 0.00 N ATOM 1290 CA VAL A 82 8.261 3.715 -4.638 1.00 0.00 C ATOM 1291 C VAL A 82 6.963 4.333 -4.115 1.00 0.00 C ATOM 1292 O VAL A 82 6.026 4.540 -4.884 1.00 0.00 O ATOM 1293 CB VAL A 82 8.268 2.191 -4.421 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.020 1.547 -5.034 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.501 1.550 -5.071 1.00 0.00 C ATOM 0 H VAL A 82 9.826 3.881 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 82 8.308 3.891 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 82 8.285 2.021 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.047 0.470 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.128 1.964 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.995 1.748 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.482 0.473 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.493 1.751 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.405 1.970 -4.630 1.00 0.00 H new ATOM 1305 N TRP A 83 6.909 4.699 -2.833 1.00 0.00 N ATOM 1306 CA TRP A 83 5.802 5.447 -2.233 1.00 0.00 C ATOM 1307 C TRP A 83 5.450 6.706 -3.035 1.00 0.00 C ATOM 1308 O TRP A 83 4.275 6.920 -3.325 1.00 0.00 O ATOM 1309 CB TRP A 83 6.149 5.800 -0.783 1.00 0.00 C ATOM 1310 CG TRP A 83 5.335 6.923 -0.227 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.768 8.192 -0.053 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.912 6.940 0.084 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.721 8.986 0.368 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.549 8.269 0.458 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.890 5.969 0.051 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.235 8.618 0.787 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.559 6.316 0.345 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.235 7.637 0.702 1.00 0.00 C ATOM 0 H TRP A 83 7.650 4.479 -2.168 1.00 0.00 H new ATOM 0 HA TRP A 83 4.917 4.811 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.008 4.917 -0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.205 6.065 -0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.780 8.532 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.805 9.979 0.585 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.132 4.948 -0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.995 9.623 1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.784 5.566 0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.209 7.899 0.912 1.00 0.00 H new ATOM 1329 N ALA A 84 6.445 7.478 -3.484 1.00 0.00 N ATOM 1330 CA ALA A 84 6.247 8.637 -4.361 1.00 0.00 C ATOM 1331 C ALA A 84 5.410 8.326 -5.626 1.00 0.00 C ATOM 1332 O ALA A 84 4.704 9.195 -6.130 1.00 0.00 O ATOM 1333 CB ALA A 84 7.628 9.191 -4.728 1.00 0.00 C ATOM 0 H ALA A 84 7.423 7.314 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 84 5.662 9.380 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.511 10.056 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.153 9.490 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.203 8.422 -5.243 1.00 0.00 H new ATOM 1339 N GLN A 85 5.453 7.088 -6.123 1.00 0.00 N ATOM 1340 CA GLN A 85 4.690 6.610 -7.287 1.00 0.00 C ATOM 1341 C GLN A 85 3.231 6.279 -6.934 1.00 0.00 C ATOM 1342 O GLN A 85 2.329 6.532 -7.734 1.00 0.00 O ATOM 1343 CB GLN A 85 5.406 5.394 -7.913 1.00 0.00 C ATOM 1344 CG GLN A 85 6.921 5.655 -8.002 1.00 0.00 C ATOM 1345 CD GLN A 85 7.694 4.686 -8.890 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.241 4.247 -9.938 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.903 4.331 -8.509 1.00 0.00 N ATOM 0 H GLN A 85 6.040 6.361 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 85 4.651 7.417 -8.019 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.218 4.504 -7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.004 5.199 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.078 6.668 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.340 5.615 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.289 4.692 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.453 3.695 -9.086 1.00 0.00 H new ATOM 1356 N LEU A 86 2.996 5.781 -5.712 1.00 0.00 N ATOM 1357 CA LEU A 86 1.653 5.609 -5.124 1.00 0.00 C ATOM 1358 C LEU A 86 0.978 6.978 -4.978 1.00 0.00 C ATOM 1359 O LEU A 86 0.007 7.269 -5.678 1.00 0.00 O ATOM 1360 CB LEU A 86 1.760 4.888 -3.752 1.00 0.00 C ATOM 1361 CG LEU A 86 0.487 4.333 -3.076 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.497 5.411 -2.624 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.256 3.330 -3.951 1.00 0.00 C ATOM 0 H LEU A 86 3.746 5.480 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 86 1.042 4.991 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.452 4.055 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.222 5.585 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 86 0.868 3.828 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.364 4.941 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.011 6.068 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.819 5.994 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.142 2.974 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.556 3.811 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.398 2.487 -4.173 1.00 0.00 H new ATOM 1375 N LYS A 87 1.539 7.855 -4.132 1.00 0.00 N ATOM 1376 CA LYS A 87 0.944 9.158 -3.785 1.00 0.00 C ATOM 1377 C LYS A 87 0.755 10.094 -4.979 1.00 0.00 C ATOM 1378 O LYS A 87 -0.162 10.900 -4.971 1.00 0.00 O ATOM 1379 CB LYS A 87 1.720 9.874 -2.671 1.00 0.00 C ATOM 1380 CG LYS A 87 3.241 9.902 -2.874 1.00 0.00 C ATOM 1381 CD LYS A 87 3.915 11.134 -2.279 1.00 0.00 C ATOM 1382 CE LYS A 87 3.719 12.353 -3.186 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.033 13.609 -2.464 1.00 0.00 N ATOM 0 H LYS A 87 2.428 7.679 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.052 8.911 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.357 10.899 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.501 9.386 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.675 9.009 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.457 9.860 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.501 11.339 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.980 10.942 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.359 12.264 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.690 12.383 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.024 14.405 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.321 13.771 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.974 13.533 -2.028 1.00 0.00 H new ATOM 1397 N ALA A 88 1.586 9.997 -6.012 1.00 0.00 N ATOM 1398 CA ALA A 88 1.475 10.848 -7.200 1.00 0.00 C ATOM 1399 C ALA A 88 0.197 10.563 -8.004 1.00 0.00 C ATOM 1400 O ALA A 88 -0.516 11.491 -8.393 1.00 0.00 O ATOM 1401 CB ALA A 88 2.714 10.653 -8.075 1.00 0.00 C ATOM 0 H ALA A 88 2.355 9.329 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 88 1.412 11.885 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.637 11.284 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.605 10.927 -7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.784 9.608 -8.379 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.111 9.278 -8.230 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.332 8.840 -8.921 1.00 0.00 C ATOM 1409 C LYS A 89 -2.562 8.875 -8.005 1.00 0.00 C ATOM 1410 O LYS A 89 -3.662 9.188 -8.460 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.068 7.450 -9.526 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.183 7.008 -10.491 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.773 5.821 -11.379 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.729 6.237 -12.429 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.383 5.114 -13.341 1.00 0.00 N ATOM 0 H LYS A 89 0.487 8.506 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.571 9.535 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.116 7.463 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.975 6.719 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.067 6.735 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.462 7.850 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.367 5.023 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.654 5.418 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.114 7.073 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.172 6.587 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.323 5.434 -14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.008 4.325 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.238 4.796 -13.840 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.373 8.582 -6.715 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.450 8.492 -5.719 1.00 0.00 C ATOM 1431 C TYR A 90 -3.824 9.849 -5.094 1.00 0.00 C ATOM 1432 O TYR A 90 -4.930 9.994 -4.575 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.058 7.478 -4.626 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.257 6.004 -4.976 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.112 5.509 -6.292 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.554 5.104 -3.935 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.261 4.136 -6.565 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.673 3.726 -4.200 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.536 3.236 -5.515 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.658 1.906 -5.765 1.00 0.00 O ATOM 0 H TYR A 90 -1.449 8.397 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.343 8.151 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.009 7.633 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.637 7.699 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.884 6.192 -7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.691 5.472 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.165 3.772 -7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.871 3.039 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.846 1.432 -4.928 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.935 10.846 -5.155 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.119 12.183 -4.575 1.00 0.00 C ATOM 1452 C ASP A 91 -2.358 13.261 -5.388 1.00 0.00 C ATOM 1453 O ASP A 91 -1.313 13.761 -4.952 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.697 12.180 -3.095 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.098 13.489 -2.381 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.740 14.373 -3.000 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.727 13.651 -1.196 1.00 0.00 O ATOM 0 H ASP A 91 -2.036 10.742 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.177 12.440 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.159 11.333 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.618 12.044 -3.025 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.843 13.625 -6.592 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.137 14.510 -7.529 1.00 0.00 C ATOM 1464 C PRO A 92 -1.938 15.962 -7.043 1.00 0.00 C ATOM 1465 O PRO A 92 -1.224 16.729 -7.693 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.948 14.447 -8.830 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.359 14.123 -8.346 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.102 13.183 -7.173 1.00 0.00 C ATOM 0 HA PRO A 92 -1.111 14.164 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.915 15.393 -9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.568 13.680 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.897 15.019 -8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.955 13.646 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.911 13.234 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.039 12.147 -7.506 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.520 16.344 -5.900 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.342 17.649 -5.243 1.00 0.00 C ATOM 1478 C ASP A 93 -1.623 17.551 -3.877 1.00 0.00 C ATOM 1479 O ASP A 93 -1.296 18.574 -3.271 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.714 18.326 -5.099 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.298 18.753 -6.455 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.824 19.766 -7.025 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.249 18.099 -6.948 1.00 0.00 O ATOM 0 H ASP A 93 -3.152 15.731 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.690 18.254 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.405 17.641 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.620 19.200 -4.455 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.347 16.333 -3.390 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.714 16.063 -2.090 1.00 0.00 C ATOM 1490 C GLY A 94 -1.559 16.436 -0.857 1.00 0.00 C ATOM 1491 O GLY A 94 -1.029 16.476 0.256 1.00 0.00 O ATOM 0 H GLY A 94 -1.565 15.481 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.471 15.002 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.228 16.609 -2.043 1.00 0.00 H new ATOM 1495 N THR A 95 -2.849 16.737 -1.039 1.00 0.00 N ATOM 1496 CA THR A 95 -3.760 17.328 -0.041 1.00 0.00 C ATOM 1497 C THR A 95 -3.917 16.499 1.241 1.00 0.00 C ATOM 1498 O THR A 95 -4.142 17.072 2.311 1.00 0.00 O ATOM 1499 CB THR A 95 -5.145 17.571 -0.674 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.999 18.272 -1.894 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.078 18.416 0.196 1.00 0.00 C ATOM 0 H THR A 95 -3.314 16.568 -1.931 1.00 0.00 H new ATOM 0 HA THR A 95 -3.300 18.269 0.262 1.00 0.00 H new ATOM 0 HB THR A 95 -5.581 16.580 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.882 18.422 -2.293 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.033 18.545 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.241 17.914 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.626 19.392 0.373 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.753 15.175 1.169 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.855 14.263 2.321 1.00 0.00 C ATOM 1511 C TYR A 96 -2.648 13.325 2.463 1.00 0.00 C ATOM 1512 O TYR A 96 -2.346 12.918 3.581 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.190 13.499 2.309 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.677 13.121 0.929 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.125 12.011 0.268 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.619 13.941 0.279 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.508 11.728 -1.053 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.000 13.661 -1.044 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.446 12.549 -1.717 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.808 12.273 -2.999 1.00 0.00 O ATOM 0 H TYR A 96 -3.542 14.694 0.294 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.839 14.888 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.082 12.592 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.950 14.111 2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.410 11.379 0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.049 14.785 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.083 10.877 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.716 14.295 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.212 11.588 -3.367 1.00 0.00 H new ATOM 1530 N SER A 97 -1.887 13.066 1.394 1.00 0.00 N ATOM 1531 CA SER A 97 -0.593 12.364 1.439 1.00 0.00 C ATOM 1532 C SER A 97 0.371 13.021 2.435 1.00 0.00 C ATOM 1533 O SER A 97 0.971 12.353 3.285 1.00 0.00 O ATOM 1534 CB SER A 97 0.019 12.371 0.032 1.00 0.00 C ATOM 1535 OG SER A 97 1.326 11.834 0.020 1.00 0.00 O ATOM 0 H SER A 97 -2.157 13.344 0.450 1.00 0.00 H new ATOM 0 HA SER A 97 -0.760 11.341 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.615 11.796 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.043 13.392 -0.348 1.00 0.00 H new ATOM 0 HG SER A 97 1.978 12.558 0.126 1.00 0.00 H new ATOM 1541 N LYS A 98 0.468 14.360 2.390 1.00 0.00 N ATOM 1542 CA LYS A 98 1.374 15.149 3.238 1.00 0.00 C ATOM 1543 C LYS A 98 1.161 14.962 4.743 1.00 0.00 C ATOM 1544 O LYS A 98 2.123 15.096 5.496 1.00 0.00 O ATOM 1545 CB LYS A 98 1.314 16.634 2.845 1.00 0.00 C ATOM 1546 CG LYS A 98 2.075 16.882 1.531 1.00 0.00 C ATOM 1547 CD LYS A 98 2.081 18.355 1.088 1.00 0.00 C ATOM 1548 CE LYS A 98 3.228 19.199 1.674 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.054 19.539 3.110 1.00 0.00 N ATOM 0 H LYS A 98 -0.089 14.932 1.755 1.00 0.00 H new ATOM 0 HA LYS A 98 2.375 14.762 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.275 16.944 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.744 17.243 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.104 16.543 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.628 16.277 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.139 18.393 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.132 18.809 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.165 18.656 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.316 20.122 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.637 20.368 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.054 19.755 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.349 18.732 3.696 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.050 14.589 5.187 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.411 14.386 6.608 1.00 0.00 C ATOM 1565 C LYS A 99 0.488 13.374 7.340 1.00 0.00 C ATOM 1566 O LYS A 99 0.633 13.463 8.558 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.892 13.962 6.721 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.926 14.958 6.155 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.431 16.016 7.150 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.324 16.939 7.669 1.00 0.00 C ATOM 1571 NZ LYS A 99 -2.876 18.038 8.506 1.00 0.00 N ATOM 0 H LYS A 99 -0.830 14.414 4.553 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.253 15.344 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.017 13.009 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.121 13.790 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.484 15.469 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.782 14.395 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.201 16.619 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.902 15.514 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.610 16.359 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.777 17.362 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.099 18.643 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.539 18.606 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.377 17.634 9.323 1.00 0.00 H new ATOM 1585 N TYR A 100 1.109 12.448 6.605 1.00 0.00 N ATOM 1586 CA TYR A 100 2.015 11.412 7.122 1.00 0.00 C ATOM 1587 C TYR A 100 3.287 11.238 6.270 1.00 0.00 C ATOM 1588 O TYR A 100 4.295 10.767 6.790 1.00 0.00 O ATOM 1589 CB TYR A 100 1.246 10.093 7.279 1.00 0.00 C ATOM 1590 CG TYR A 100 0.346 9.806 6.099 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.855 9.153 4.966 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -0.968 10.311 6.093 1.00 0.00 C ATOM 1593 CE1 TYR A 100 0.060 9.035 3.819 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.759 10.203 4.939 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.245 9.573 3.787 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.024 9.413 2.682 1.00 0.00 O ATOM 0 H TYR A 100 0.992 12.395 5.593 1.00 0.00 H new ATOM 0 HA TYR A 100 2.370 11.738 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.955 9.274 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.647 10.131 8.189 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.854 8.744 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.368 10.783 6.978 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.450 8.527 2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.762 10.603 4.933 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.892 9.844 2.828 1.00 0.00 H new ATOM 1606 N GLU A 101 3.303 11.673 5.005 1.00 0.00 N ATOM 1607 CA GLU A 101 4.536 11.811 4.214 1.00 0.00 C ATOM 1608 C GLU A 101 5.530 12.793 4.864 1.00 0.00 C ATOM 1609 O GLU A 101 6.723 12.497 4.968 1.00 0.00 O ATOM 1610 CB GLU A 101 4.155 12.264 2.799 1.00 0.00 C ATOM 1611 CG GLU A 101 5.335 12.491 1.845 1.00 0.00 C ATOM 1612 CD GLU A 101 4.903 13.131 0.511 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.698 13.412 0.289 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.784 13.336 -0.357 1.00 0.00 O ATOM 0 H GLU A 101 2.460 11.941 4.497 1.00 0.00 H new ATOM 0 HA GLU A 101 5.043 10.847 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.494 11.516 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.585 13.190 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.071 13.132 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.824 11.538 1.645 1.00 0.00 H new ATOM 1621 N ASP A 102 5.040 13.934 5.369 1.00 0.00 N ATOM 1622 CA ASP A 102 5.855 14.959 6.042 1.00 0.00 C ATOM 1623 C ASP A 102 6.554 14.445 7.317 1.00 0.00 C ATOM 1624 O ASP A 102 7.537 15.046 7.761 1.00 0.00 O ATOM 1625 CB ASP A 102 5.020 16.214 6.359 1.00 0.00 C ATOM 1626 CG ASP A 102 4.609 17.046 5.128 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.174 16.876 4.024 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.744 17.944 5.274 1.00 0.00 O ATOM 0 H ASP A 102 4.050 14.176 5.321 1.00 0.00 H new ATOM 0 HA ASP A 102 6.643 15.222 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.119 15.909 6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.590 16.850 7.036 1.00 0.00 H new ATOM 1633 N ARG A 103 6.069 13.339 7.911 1.00 0.00 N ATOM 1634 CA ARG A 103 6.696 12.663 9.062 1.00 0.00 C ATOM 1635 C ARG A 103 8.150 12.256 8.791 1.00 0.00 C ATOM 1636 O ARG A 103 8.960 12.261 9.717 1.00 0.00 O ATOM 1637 CB ARG A 103 5.858 11.429 9.461 1.00 0.00 C ATOM 1638 CG ARG A 103 6.069 10.952 10.907 1.00 0.00 C ATOM 1639 CD ARG A 103 5.487 11.921 11.946 1.00 0.00 C ATOM 1640 NE ARG A 103 5.609 11.376 13.312 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.133 11.912 14.423 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.478 13.039 14.426 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.309 11.318 15.569 1.00 0.00 N ATOM 0 H ARG A 103 5.213 12.881 7.598 1.00 0.00 H new ATOM 0 HA ARG A 103 6.720 13.377 9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.803 11.662 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.097 10.609 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.607 9.973 11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.136 10.827 11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.006 12.878 11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.438 12.113 11.721 1.00 0.00 H new ATOM 0 HE ARG A 103 6.113 10.494 13.409 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.318 13.538 13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.126 13.422 15.303 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.816 10.434 15.613 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.939 11.737 16.423 1.00 0.00 H new ATOM 1657 N GLU A 104 8.490 11.965 7.530 1.00 0.00 N ATOM 1658 CA GLU A 104 9.846 11.572 7.111 1.00 0.00 C ATOM 1659 C GLU A 104 10.422 12.488 6.017 1.00 0.00 C ATOM 1660 O GLU A 104 11.563 12.938 6.139 1.00 0.00 O ATOM 1661 CB GLU A 104 9.872 10.120 6.596 1.00 0.00 C ATOM 1662 CG GLU A 104 9.103 9.079 7.420 1.00 0.00 C ATOM 1663 CD GLU A 104 9.451 9.049 8.923 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.632 9.255 9.301 1.00 0.00 O ATOM 1665 OE2 GLU A 104 8.523 8.786 9.727 1.00 0.00 O ATOM 0 H GLU A 104 7.823 11.996 6.759 1.00 0.00 H new ATOM 0 HA GLU A 104 10.466 11.666 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.473 10.112 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.912 9.801 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.035 9.270 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.293 8.092 6.999 1.00 0.00 H new ATOM 1672 N LYS A 105 9.635 12.771 4.963 1.00 0.00 N ATOM 1673 CA LYS A 105 9.989 13.558 3.760 1.00 0.00 C ATOM 1674 C LYS A 105 11.397 13.277 3.180 1.00 0.00 C ATOM 1675 O LYS A 105 12.059 14.165 2.647 1.00 0.00 O ATOM 1676 CB LYS A 105 9.713 15.047 4.059 1.00 0.00 C ATOM 1677 CG LYS A 105 9.339 15.845 2.795 1.00 0.00 C ATOM 1678 CD LYS A 105 8.977 17.307 3.097 1.00 0.00 C ATOM 1679 CE LYS A 105 10.178 18.100 3.632 1.00 0.00 C ATOM 1680 NZ LYS A 105 9.838 19.531 3.847 1.00 0.00 N ATOM 0 H LYS A 105 8.672 12.436 4.923 1.00 0.00 H new ATOM 0 HA LYS A 105 9.351 13.231 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.904 15.124 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.596 15.492 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.174 15.820 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.496 15.361 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.604 17.783 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.169 17.337 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.515 17.661 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.007 18.024 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.672 20.036 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.540 19.956 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.064 19.604 4.537 1.00 0.00 H new ATOM 1694 N GLU A 106 11.873 12.034 3.289 1.00 0.00 N ATOM 1695 CA GLU A 106 13.277 11.638 3.053 1.00 0.00 C ATOM 1696 C GLU A 106 13.656 11.390 1.572 1.00 0.00 C ATOM 1697 O GLU A 106 14.627 10.686 1.279 1.00 0.00 O ATOM 1698 CB GLU A 106 13.633 10.448 3.967 1.00 0.00 C ATOM 1699 CG GLU A 106 12.876 9.146 3.666 1.00 0.00 C ATOM 1700 CD GLU A 106 13.433 8.004 4.537 1.00 0.00 C ATOM 1701 OE1 GLU A 106 12.958 7.825 5.685 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.369 7.296 4.091 1.00 0.00 O ATOM 0 H GLU A 106 11.280 11.247 3.551 1.00 0.00 H new ATOM 0 HA GLU A 106 13.892 12.498 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.703 10.255 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.438 10.733 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.812 9.280 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.976 8.892 2.611 1.00 0.00 H new ATOM 1709 N LEU A 107 12.891 11.945 0.624 1.00 0.00 N ATOM 1710 CA LEU A 107 13.127 11.823 -0.821 1.00 0.00 C ATOM 1711 C LEU A 107 14.530 12.315 -1.236 1.00 0.00 C ATOM 1712 O LEU A 107 15.036 13.322 -0.729 1.00 0.00 O ATOM 1713 CB LEU A 107 12.029 12.589 -1.588 1.00 0.00 C ATOM 1714 CG LEU A 107 10.595 12.062 -1.378 1.00 0.00 C ATOM 1715 CD1 LEU A 107 9.605 12.973 -2.114 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.411 10.634 -1.899 1.00 0.00 C ATOM 0 H LEU A 107 12.069 12.506 0.846 1.00 0.00 H new ATOM 0 HA LEU A 107 13.084 10.764 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.062 13.637 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.260 12.554 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 107 10.411 12.058 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.591 12.602 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.681 13.987 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.838 12.979 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.384 10.313 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.625 10.606 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.093 9.965 -1.375 1.00 0.00 H new ATOM 1728 N HIS A 108 15.151 11.605 -2.186 1.00 0.00 N ATOM 1729 CA HIS A 108 16.549 11.814 -2.617 1.00 0.00 C ATOM 1730 C HIS A 108 16.786 13.043 -3.519 1.00 0.00 C ATOM 1731 O HIS A 108 17.945 13.376 -3.789 1.00 0.00 O ATOM 1732 CB HIS A 108 17.054 10.523 -3.290 1.00 0.00 C ATOM 1733 CG HIS A 108 17.091 9.346 -2.344 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.248 8.248 -2.351 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.965 9.190 -1.301 1.00 0.00 C ATOM 1736 CE1 HIS A 108 16.603 7.441 -1.331 1.00 0.00 C ATOM 1737 NE2 HIS A 108 17.645 7.996 -0.678 1.00 0.00 N ATOM 0 H HIS A 108 14.689 10.850 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 108 17.122 12.039 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.409 10.283 -4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.054 10.694 -3.689 1.00 0.00 H new ATOM 0 HD1 HIS A 108 15.490 8.079 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.755 9.870 -1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.130 6.503 -1.078 1.00 0.00 H new ATOM 1746 N GLN A 109 15.724 13.716 -3.979 1.00 0.00 N ATOM 1747 CA GLN A 109 15.748 14.903 -4.857 1.00 0.00 C ATOM 1748 C GLN A 109 14.675 15.927 -4.446 1.00 0.00 C ATOM 1749 O GLN A 109 13.511 15.524 -4.217 1.00 0.00 O ATOM 1750 CB GLN A 109 15.554 14.488 -6.330 1.00 0.00 C ATOM 1751 CG GLN A 109 16.727 13.672 -6.902 1.00 0.00 C ATOM 1752 CD GLN A 109 16.542 13.373 -8.392 1.00 0.00 C ATOM 1753 OE1 GLN A 109 15.946 12.378 -8.791 1.00 0.00 O ATOM 1754 NE2 GLN A 109 17.034 14.214 -9.281 1.00 0.00 N ATOM 1755 OXT GLN A 109 15.012 17.129 -4.349 1.00 0.00 O ATOM 0 H GLN A 109 14.773 13.436 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 109 16.724 15.377 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 109 14.639 13.902 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.416 15.384 -6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 109 17.657 14.221 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.820 12.735 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.533 15.048 -8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.915 14.030 -10.277 1.00 0.00 H new TER 1764 GLN A 109