USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -0.412 K(o=-0.73,f=0) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.317 K(o=-0.73,f=0) USER MOD Set 2.1: A 21 HIS : no HE2:sc= -6.87! C(o=-9.3!,f=-6.3!) USER MOD Set 2.2: A 53 ASN : amide:sc= -2.4! K(o=-9.3!,f=-6.3) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.2) USER MOD Single : A 18 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.0064) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0288 (180deg=-0.281) USER MOD Single : A 28 SER OG : rot 64:sc= 0.741 USER MOD Single : A 31 ASN : amide:sc= -0.023 K(o=-0.023,f=-1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.075) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.65) USER MOD Single : A 39 TYR OH : rot 168:sc= -0.218 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 120:sc=-0.00339 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 66 GLN : amide:sc= -0.256 K(o=-0.26,f=-3.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.572 -7.497 2.898 1.00 1.18 N ATOM 59 CA MET A 9 -13.675 -6.395 2.574 1.00 0.82 C ATOM 60 C MET A 9 -12.978 -6.654 1.244 1.00 0.72 C ATOM 61 O MET A 9 -13.141 -7.718 0.646 1.00 0.97 O ATOM 62 CB MET A 9 -12.638 -6.225 3.680 1.00 1.08 C ATOM 63 CG MET A 9 -12.884 -4.956 4.495 1.00 1.61 C ATOM 64 SD MET A 9 -12.536 -5.183 6.247 1.00 2.27 S ATOM 65 CE MET A 9 -13.008 -3.574 6.900 1.00 2.82 C ATOM 0 HA MET A 9 -14.261 -5.480 2.490 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.664 -7.092 4.340 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.641 -6.188 3.241 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.260 -4.151 4.105 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.921 -4.644 4.371 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.849 -3.558 7.978 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.401 -2.799 6.432 1.00 2.82 H new ATOM 0 HE3 MET A 9 -14.061 -3.389 6.686 1.00 2.82 H new ATOM 75 N ASP A 10 -12.201 -5.680 0.786 1.00 0.49 N ATOM 76 CA ASP A 10 -11.478 -5.806 -0.474 1.00 0.42 C ATOM 77 C ASP A 10 -9.978 -5.686 -0.242 1.00 0.38 C ATOM 78 O ASP A 10 -9.479 -4.618 0.114 1.00 0.54 O ATOM 79 CB ASP A 10 -11.939 -4.730 -1.453 1.00 0.44 C ATOM 80 CG ASP A 10 -13.217 -5.165 -2.156 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.601 -6.346 -2.016 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.833 -4.326 -2.846 1.00 1.53 O ATOM 0 H ASP A 10 -12.055 -4.793 1.269 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.689 -6.788 -0.897 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.110 -3.794 -0.921 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.158 -4.540 -2.189 1.00 0.44 H new ATOM 87 N TYR A 11 -9.263 -6.787 -0.443 1.00 0.40 N ATOM 88 CA TYR A 11 -7.818 -6.803 -0.252 1.00 0.37 C ATOM 89 C TYR A 11 -7.104 -6.998 -1.583 1.00 0.34 C ATOM 90 O TYR A 11 -7.693 -7.476 -2.553 1.00 0.38 O ATOM 91 CB TYR A 11 -7.431 -7.918 0.714 1.00 0.42 C ATOM 92 CG TYR A 11 -7.767 -9.294 0.199 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.923 -9.927 -0.696 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.921 -9.931 0.622 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.230 -11.192 -1.166 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.228 -11.195 0.152 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.382 -11.820 -0.740 1.00 0.67 C ATOM 98 OH TYR A 11 -8.688 -13.078 -1.207 1.00 0.78 O ATOM 0 H TYR A 11 -9.660 -7.679 -0.738 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.514 -5.844 0.168 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.361 -7.863 0.912 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.940 -7.759 1.665 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -6.022 -9.433 -1.029 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.583 -9.440 1.320 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.570 -11.686 -1.864 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -10.128 -11.692 0.483 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.532 -13.379 -0.809 1.00 0.78 H new ATOM 108 N VAL A 12 -5.831 -6.622 -1.622 1.00 0.34 N ATOM 109 CA VAL A 12 -5.028 -6.750 -2.831 1.00 0.34 C ATOM 110 C VAL A 12 -3.549 -6.594 -2.505 1.00 0.35 C ATOM 111 O VAL A 12 -3.167 -5.739 -1.706 1.00 0.51 O ATOM 112 CB VAL A 12 -5.449 -5.694 -3.848 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.331 -4.294 -3.253 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.619 -5.810 -5.124 1.00 0.81 C ATOM 0 H VAL A 12 -5.332 -6.224 -0.826 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.190 -7.741 -3.255 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.494 -5.868 -4.105 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.636 -3.556 -3.995 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.975 -4.215 -2.377 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.297 -4.109 -2.961 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.936 -5.047 -5.835 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.565 -5.668 -4.886 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.763 -6.797 -5.563 1.00 0.81 H new ATOM 124 N GLU A 13 -2.719 -7.424 -3.127 1.00 0.49 N ATOM 125 CA GLU A 13 -1.279 -7.378 -2.901 1.00 0.54 C ATOM 126 C GLU A 13 -0.552 -6.935 -4.164 1.00 0.50 C ATOM 127 O GLU A 13 -1.016 -7.179 -5.277 1.00 0.60 O ATOM 128 CB GLU A 13 -0.773 -8.752 -2.472 1.00 0.67 C ATOM 129 CG GLU A 13 -1.626 -9.342 -1.352 1.00 1.05 C ATOM 130 CD GLU A 13 -1.266 -10.804 -1.129 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.948 -11.498 -2.119 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.303 -11.256 0.035 1.00 1.97 O ATOM 0 H GLU A 13 -3.019 -8.137 -3.792 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.078 -6.656 -2.109 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.780 -9.426 -3.328 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.261 -8.671 -2.138 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.472 -8.778 -0.432 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.682 -9.255 -1.606 1.00 1.05 H new ATOM 139 N ILE A 14 0.594 -6.289 -3.982 1.00 0.48 N ATOM 140 CA ILE A 14 1.393 -5.815 -5.108 1.00 0.49 C ATOM 141 C ILE A 14 2.862 -6.153 -4.899 1.00 0.48 C ATOM 142 O ILE A 14 3.474 -5.734 -3.914 1.00 0.43 O ATOM 143 CB ILE A 14 1.235 -4.308 -5.282 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.230 -3.604 -3.928 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.033 -3.981 -6.062 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.775 -2.183 -4.033 1.00 0.63 C ATOM 0 H ILE A 14 0.991 -6.081 -3.066 1.00 0.48 H new ATOM 0 HA ILE A 14 1.037 -6.315 -6.009 1.00 0.49 H new ATOM 0 HB ILE A 14 2.089 -3.944 -5.853 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.214 -3.577 -3.535 1.00 0.51 H new ATOM 0 HG13 ILE A 14 1.831 -4.173 -3.219 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.123 -2.900 -6.173 1.00 0.64 H new ATOM 0 HG22 ILE A 14 0.016 -4.444 -7.047 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.900 -4.364 -5.524 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.756 -1.713 -3.050 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.800 -2.213 -4.402 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.158 -1.607 -4.723 1.00 0.63 H new ATOM 158 N ASN A 15 3.422 -6.910 -5.834 1.00 0.59 N ATOM 159 CA ASN A 15 4.821 -7.308 -5.761 1.00 0.62 C ATOM 160 C ASN A 15 5.726 -6.125 -6.071 1.00 0.60 C ATOM 161 O ASN A 15 5.673 -5.557 -7.162 1.00 0.78 O ATOM 162 CB ASN A 15 5.094 -8.444 -6.743 1.00 0.79 C ATOM 163 CG ASN A 15 4.269 -9.669 -6.378 1.00 1.31 C ATOM 164 OD1 ASN A 15 3.444 -10.133 -7.165 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.492 -10.198 -5.182 1.00 1.54 N ATOM 0 H ASN A 15 2.927 -7.261 -6.654 1.00 0.59 H new ATOM 0 HA ASN A 15 5.032 -7.654 -4.749 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.852 -8.123 -7.756 1.00 0.79 H new ATOM 0 HB3 ASN A 15 6.155 -8.695 -6.733 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.970 -11.022 -4.883 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.186 -9.781 -4.561 1.00 1.54 H new ATOM 172 N ILE A 16 6.556 -5.757 -5.104 1.00 0.49 N ATOM 173 CA ILE A 16 7.475 -4.639 -5.265 1.00 0.49 C ATOM 174 C ILE A 16 8.847 -5.001 -4.713 1.00 0.56 C ATOM 175 O ILE A 16 8.957 -5.805 -3.790 1.00 0.66 O ATOM 176 CB ILE A 16 6.927 -3.412 -4.543 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.557 -3.028 -5.101 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.897 -2.242 -4.651 1.00 0.58 C ATOM 179 CD1 ILE A 16 4.837 -2.044 -4.184 1.00 0.84 C ATOM 0 H ILE A 16 6.611 -6.219 -4.196 1.00 0.49 H new ATOM 0 HA ILE A 16 7.575 -4.413 -6.327 1.00 0.49 H new ATOM 0 HB ILE A 16 6.812 -3.661 -3.488 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.677 -2.585 -6.090 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.949 -3.924 -5.224 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.485 -1.378 -4.129 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.851 -2.517 -4.201 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.050 -1.992 -5.701 1.00 0.58 H new ATOM 0 HD11 ILE A 16 3.866 -1.792 -4.611 1.00 0.84 H new ATOM 0 HD12 ILE A 16 4.695 -2.498 -3.203 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.434 -1.138 -4.082 1.00 0.84 H new ATOM 191 N ASP A 17 9.893 -4.414 -5.288 1.00 0.63 N ATOM 192 CA ASP A 17 11.256 -4.687 -4.850 1.00 0.75 C ATOM 193 C ASP A 17 12.238 -3.714 -5.493 1.00 1.00 C ATOM 194 O ASP A 17 13.238 -4.128 -6.080 1.00 1.75 O ATOM 195 CB ASP A 17 11.628 -6.115 -5.219 1.00 1.27 C ATOM 196 CG ASP A 17 10.507 -6.773 -6.012 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.849 -6.072 -6.808 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.290 -7.991 -5.836 1.00 2.21 O ATOM 0 H ASP A 17 9.822 -3.748 -6.057 1.00 0.63 H new ATOM 0 HA ASP A 17 11.308 -4.560 -3.769 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.546 -6.117 -5.807 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.827 -6.690 -4.315 1.00 1.27 H new ATOM 203 N HIS A 18 11.951 -2.422 -5.379 1.00 1.27 N ATOM 204 CA HIS A 18 12.814 -1.393 -5.949 1.00 1.85 C ATOM 205 C HIS A 18 12.944 -0.214 -4.995 1.00 1.32 C ATOM 206 O HIS A 18 12.660 0.927 -5.360 1.00 2.00 O ATOM 207 CB HIS A 18 12.248 -0.917 -7.284 1.00 2.83 C ATOM 208 CG HIS A 18 12.558 -1.846 -8.415 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.383 -1.515 -9.459 1.00 4.01 N ATOM 210 CD2 HIS A 18 12.155 -3.116 -8.678 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.485 -2.507 -10.311 1.00 4.73 C ATOM 212 NE2 HIS A 18 12.745 -3.509 -9.865 1.00 4.84 N ATOM 0 H HIS A 18 11.127 -2.062 -4.897 1.00 1.27 H new ATOM 0 HA HIS A 18 13.803 -1.823 -6.110 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.167 -0.809 -7.196 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.650 0.070 -7.511 1.00 2.83 H new ATOM 0 HD2 HIS A 18 11.492 -3.712 -8.069 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.071 -2.506 -11.218 1.00 4.73 H new ATOM 0 HE2 HIS A 18 12.630 -4.415 -10.319 1.00 4.84 H new ATOM 220 N LYS A 19 13.373 -0.494 -3.768 1.00 0.82 N ATOM 221 CA LYS A 19 13.537 0.547 -2.758 1.00 0.84 C ATOM 222 C LYS A 19 12.266 1.376 -2.647 1.00 0.77 C ATOM 223 O LYS A 19 12.312 2.567 -2.339 1.00 1.13 O ATOM 224 CB LYS A 19 14.715 1.446 -3.125 1.00 1.47 C ATOM 225 CG LYS A 19 16.048 0.818 -2.728 1.00 1.97 C ATOM 226 CD LYS A 19 17.103 1.010 -3.814 1.00 2.72 C ATOM 227 CE LYS A 19 17.778 -0.309 -4.181 1.00 3.37 C ATOM 228 NZ LYS A 19 18.607 -0.824 -3.056 1.00 4.03 N ATOM 0 H LYS A 19 13.613 -1.433 -3.449 1.00 0.82 H new ATOM 0 HA LYS A 19 13.734 0.076 -1.795 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.707 1.636 -4.198 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.605 2.411 -2.630 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.398 1.263 -1.797 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.908 -0.246 -2.540 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.639 1.441 -4.701 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.855 1.721 -3.470 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.020 -1.047 -4.445 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.404 -0.167 -5.062 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.053 -1.721 -3.336 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 19.345 -0.129 -2.822 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.003 -0.982 -2.224 1.00 4.03 H new ATOM 242 N PHE A 20 11.131 0.736 -2.912 1.00 0.63 N ATOM 243 CA PHE A 20 9.834 1.403 -2.858 1.00 0.61 C ATOM 244 C PHE A 20 9.447 1.743 -1.423 1.00 0.62 C ATOM 245 O PHE A 20 9.171 2.898 -1.101 1.00 0.95 O ATOM 246 CB PHE A 20 8.771 0.499 -3.475 1.00 0.62 C ATOM 247 CG PHE A 20 8.284 0.984 -4.817 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.164 1.080 -5.882 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.957 1.337 -4.987 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.717 1.526 -7.113 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.510 1.783 -6.219 1.00 1.17 C ATOM 252 CZ PHE A 20 7.388 1.873 -7.283 1.00 1.19 C ATOM 0 H PHE A 20 11.084 -0.250 -3.168 1.00 0.63 H new ATOM 0 HA PHE A 20 9.904 2.334 -3.421 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.178 -0.506 -3.585 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.924 0.427 -2.793 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.201 0.806 -5.751 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.269 1.265 -4.158 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.405 1.603 -7.942 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.474 2.061 -6.349 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.037 2.214 -8.246 1.00 1.19 H new ATOM 262 N HIS A 21 9.417 0.724 -0.567 1.00 0.53 N ATOM 263 CA HIS A 21 9.047 0.899 0.837 1.00 0.57 C ATOM 264 C HIS A 21 9.714 2.131 1.441 1.00 0.69 C ATOM 265 O HIS A 21 9.054 3.135 1.711 1.00 1.03 O ATOM 266 CB HIS A 21 9.439 -0.343 1.631 1.00 0.54 C ATOM 267 CG HIS A 21 8.639 -1.551 1.255 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.325 -2.551 2.137 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.072 -1.932 0.079 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.613 -3.487 1.554 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.437 -3.141 0.290 1.00 0.42 N ATOM 0 H HIS A 21 9.646 -0.237 -0.822 1.00 0.53 H new ATOM 0 HA HIS A 21 7.968 1.043 0.887 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.497 -0.550 1.472 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.309 -0.144 2.695 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.607 -2.566 3.117 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.111 -1.387 -0.853 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.237 -4.383 2.025 1.00 0.45 H new ATOM 279 N ARG A 22 11.020 2.047 1.657 1.00 0.68 N ATOM 280 CA ARG A 22 11.777 3.152 2.238 1.00 0.80 C ATOM 281 C ARG A 22 11.484 4.458 1.508 1.00 0.81 C ATOM 282 O ARG A 22 11.577 5.538 2.092 1.00 0.92 O ATOM 283 CB ARG A 22 13.270 2.846 2.176 1.00 0.93 C ATOM 284 CG ARG A 22 13.627 1.628 3.023 1.00 1.64 C ATOM 285 CD ARG A 22 14.256 2.034 4.353 1.00 2.14 C ATOM 286 NE ARG A 22 13.237 2.117 5.393 1.00 2.73 N ATOM 287 CZ ARG A 22 13.524 1.893 6.671 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.636 2.386 7.199 1.00 3.72 N ATOM 289 NH2 ARG A 22 12.699 1.176 7.422 1.00 3.95 N ATOM 0 H ARG A 22 11.580 1.223 1.438 1.00 0.68 H new ATOM 0 HA ARG A 22 11.473 3.266 3.278 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.564 2.670 1.141 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.834 3.711 2.524 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.730 1.038 3.209 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.319 0.991 2.472 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.018 1.309 4.639 1.00 2.14 H new ATOM 0 HD3 ARG A 22 14.756 2.997 4.247 1.00 2.14 H new ATOM 0 HE ARG A 22 12.279 2.353 5.133 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.272 2.938 6.624 1.00 3.72 H new ATOM 0 HH12 ARG A 22 14.855 2.213 8.180 1.00 3.72 H new ATOM 0 HH21 ARG A 22 11.843 0.796 7.019 1.00 3.95 H new ATOM 0 HH22 ARG A 22 12.921 1.005 8.403 1.00 3.95 H new ATOM 303 N HIS A 23 11.136 4.358 0.230 1.00 0.90 N ATOM 304 CA HIS A 23 10.836 5.537 -0.575 1.00 0.98 C ATOM 305 C HIS A 23 9.422 6.034 -0.303 1.00 0.96 C ATOM 306 O HIS A 23 9.136 7.223 -0.442 1.00 1.12 O ATOM 307 CB HIS A 23 10.990 5.211 -2.058 1.00 1.02 C ATOM 308 CG HIS A 23 12.340 5.567 -2.599 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.509 5.331 -1.922 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.724 6.148 -3.765 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.545 5.737 -2.618 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.102 6.244 -3.756 1.00 1.86 N ATOM 0 H HIS A 23 11.055 3.473 -0.271 1.00 0.90 H new ATOM 0 HA HIS A 23 11.539 6.324 -0.302 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.813 4.146 -2.210 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.226 5.745 -2.623 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.069 6.476 -4.558 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.579 5.669 -2.314 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.679 6.638 -4.499 1.00 1.86 H new ATOM 320 N LEU A 24 8.538 5.117 0.079 1.00 0.86 N ATOM 321 CA LEU A 24 7.150 5.465 0.361 1.00 0.87 C ATOM 322 C LEU A 24 6.977 5.870 1.820 1.00 0.97 C ATOM 323 O LEU A 24 6.499 6.963 2.118 1.00 1.16 O ATOM 324 CB LEU A 24 6.239 4.284 0.043 1.00 0.73 C ATOM 325 CG LEU A 24 6.330 3.888 -1.428 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.098 2.389 -1.598 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.334 4.686 -2.265 1.00 1.25 C ATOM 0 H LEU A 24 8.758 4.128 0.200 1.00 0.86 H new ATOM 0 HA LEU A 24 6.877 6.312 -0.269 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.513 3.434 0.667 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.209 4.541 0.289 1.00 0.73 H new ATOM 0 HG LEU A 24 7.335 4.120 -1.782 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.167 2.128 -2.654 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.853 1.838 -1.038 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.108 2.129 -1.224 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.416 4.388 -3.310 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.322 4.491 -1.910 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.552 5.750 -2.173 1.00 1.25 H new ATOM 339 N ILE A 25 7.363 4.980 2.729 1.00 0.92 N ATOM 340 CA ILE A 25 7.242 5.246 4.157 1.00 1.10 C ATOM 341 C ILE A 25 7.897 6.576 4.514 1.00 1.41 C ATOM 342 O ILE A 25 7.540 7.206 5.510 1.00 1.91 O ATOM 343 CB ILE A 25 7.879 4.116 4.962 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.383 4.041 4.712 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.221 2.779 4.638 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.133 3.628 5.974 1.00 0.91 C ATOM 0 H ILE A 25 7.762 4.069 2.502 1.00 0.92 H new ATOM 0 HA ILE A 25 6.182 5.304 4.406 1.00 1.10 H new ATOM 0 HB ILE A 25 7.719 4.333 6.018 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.586 3.326 3.915 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.746 5.010 4.371 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.692 1.990 5.224 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.160 2.827 4.882 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.340 2.563 3.576 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.202 3.583 5.764 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.948 4.358 6.762 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.786 2.647 6.299 1.00 0.91 H new ATOM 358 N GLY A 26 8.855 7.000 3.696 1.00 1.49 N ATOM 359 CA GLY A 26 9.559 8.256 3.926 1.00 1.87 C ATOM 360 C GLY A 26 10.728 8.059 4.883 1.00 1.82 C ATOM 361 O GLY A 26 11.389 7.021 4.863 1.00 2.29 O ATOM 0 H GLY A 26 9.162 6.491 2.867 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.923 8.652 2.978 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.869 8.994 4.336 1.00 1.87 H new ATOM 365 N LYS A 27 10.977 9.061 5.719 1.00 1.86 N ATOM 366 CA LYS A 27 12.069 8.998 6.685 1.00 1.91 C ATOM 367 C LYS A 27 11.797 7.922 7.729 1.00 1.62 C ATOM 368 O LYS A 27 12.722 7.290 8.238 1.00 2.38 O ATOM 369 CB LYS A 27 12.241 10.352 7.366 1.00 2.21 C ATOM 370 CG LYS A 27 11.045 10.693 8.255 1.00 2.65 C ATOM 371 CD LYS A 27 11.319 11.924 9.114 1.00 3.30 C ATOM 372 CE LYS A 27 10.847 13.204 8.429 1.00 3.80 C ATOM 373 NZ LYS A 27 9.360 13.269 8.371 1.00 4.51 N ATOM 0 H LYS A 27 10.438 9.926 5.748 1.00 1.86 H new ATOM 0 HA LYS A 27 12.987 8.745 6.155 1.00 1.91 H new ATOM 0 HB2 LYS A 27 13.151 10.344 7.967 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.365 11.127 6.609 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.167 10.870 7.633 1.00 2.65 H new ATOM 0 HG3 LYS A 27 10.814 9.844 8.898 1.00 2.65 H new ATOM 0 HD2 LYS A 27 10.815 11.818 10.075 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.387 11.994 9.321 1.00 3.30 H new ATOM 0 HE2 LYS A 27 11.230 14.070 8.968 1.00 3.80 H new ATOM 0 HE3 LYS A 27 11.255 13.251 7.419 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 9.060 14.258 8.258 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 9.019 12.710 7.563 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 8.961 12.885 9.251 1.00 4.51 H new ATOM 387 N SER A 28 10.522 7.719 8.043 1.00 1.28 N ATOM 388 CA SER A 28 10.126 6.718 9.027 1.00 1.60 C ATOM 389 C SER A 28 8.612 6.543 9.029 1.00 1.60 C ATOM 390 O SER A 28 7.954 6.763 10.047 1.00 2.28 O ATOM 391 CB SER A 28 10.604 7.131 10.415 1.00 1.99 C ATOM 392 OG SER A 28 9.924 8.300 10.846 1.00 2.57 O ATOM 0 H SER A 28 9.745 8.235 7.630 1.00 1.28 H new ATOM 0 HA SER A 28 10.587 5.767 8.760 1.00 1.60 H new ATOM 0 HB2 SER A 28 10.430 6.320 11.122 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.678 7.314 10.397 1.00 1.99 H new ATOM 0 HG SER A 28 8.969 8.105 10.945 1.00 2.57 H new ATOM 398 N GLY A 29 8.066 6.144 7.886 1.00 1.21 N ATOM 399 CA GLY A 29 6.629 5.935 7.752 1.00 1.23 C ATOM 400 C GLY A 29 5.866 7.240 7.941 1.00 1.36 C ATOM 401 O GLY A 29 6.090 7.967 8.908 1.00 2.05 O ATOM 0 H GLY A 29 8.599 5.958 7.036 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.409 5.520 6.768 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.294 5.204 8.488 1.00 1.23 H new ATOM 405 N ALA A 30 4.962 7.530 7.010 1.00 1.00 N ATOM 406 CA ALA A 30 4.162 8.747 7.068 1.00 1.10 C ATOM 407 C ALA A 30 3.131 8.764 5.946 1.00 1.06 C ATOM 408 O ALA A 30 1.964 9.087 6.167 1.00 1.43 O ATOM 409 CB ALA A 30 5.066 9.971 6.958 1.00 1.27 C ATOM 0 H ALA A 30 4.765 6.936 6.204 1.00 1.00 H new ATOM 0 HA ALA A 30 3.638 8.771 8.024 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.460 10.876 7.002 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.780 9.971 7.782 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.605 9.941 6.011 1.00 1.27 H new ATOM 415 N ASN A 31 3.570 8.412 4.742 1.00 0.73 N ATOM 416 CA ASN A 31 2.689 8.386 3.579 1.00 0.69 C ATOM 417 C ASN A 31 1.540 7.410 3.798 1.00 0.60 C ATOM 418 O ASN A 31 0.395 7.698 3.454 1.00 0.58 O ATOM 419 CB ASN A 31 3.479 7.984 2.338 1.00 0.71 C ATOM 420 CG ASN A 31 4.041 9.218 1.646 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.185 10.276 2.259 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.360 9.084 0.364 1.00 1.42 N ATOM 0 H ASN A 31 4.533 8.140 4.546 1.00 0.73 H new ATOM 0 HA ASN A 31 2.275 9.384 3.436 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.292 7.314 2.617 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.835 7.435 1.651 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.741 9.877 -0.152 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.224 8.188 -0.104 1.00 1.42 H new ATOM 429 N ILE A 32 1.855 6.252 4.369 1.00 0.58 N ATOM 430 CA ILE A 32 0.852 5.225 4.634 1.00 0.56 C ATOM 431 C ILE A 32 -0.363 5.823 5.334 1.00 0.52 C ATOM 432 O ILE A 32 -1.495 5.391 5.115 1.00 0.51 O ATOM 433 CB ILE A 32 1.455 4.122 5.497 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.093 4.713 6.750 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.477 3.307 4.708 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.586 3.620 7.692 1.00 1.07 C ATOM 0 H ILE A 32 2.800 6.000 4.658 1.00 0.58 H new ATOM 0 HA ILE A 32 0.530 4.804 3.681 1.00 0.56 H new ATOM 0 HB ILE A 32 0.651 3.452 5.800 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.927 5.355 6.467 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.368 5.342 7.267 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.892 2.527 5.347 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.991 2.850 3.846 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.279 3.961 4.367 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.035 4.076 8.575 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.746 2.994 7.994 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.330 3.008 7.182 1.00 1.07 H new ATOM 448 N ASN A 33 -0.120 6.819 6.182 1.00 0.56 N ATOM 449 CA ASN A 33 -1.190 7.476 6.923 1.00 0.59 C ATOM 450 C ASN A 33 -1.996 8.398 6.015 1.00 0.54 C ATOM 451 O ASN A 33 -3.217 8.500 6.145 1.00 0.55 O ATOM 452 CB ASN A 33 -0.603 8.276 8.083 1.00 0.71 C ATOM 453 CG ASN A 33 -1.520 8.199 9.297 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.721 8.449 9.199 1.00 1.51 O ATOM 455 ND2 ASN A 33 -0.952 7.852 10.447 1.00 1.62 N ATOM 0 H ASN A 33 0.811 7.189 6.373 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.858 6.708 7.313 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.383 7.888 8.339 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.469 9.316 7.785 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.516 7.784 11.294 1.00 1.62 H new ATOM 0 HD22 ASN A 33 0.048 7.653 10.482 1.00 1.62 H new ATOM 462 N ARG A 34 -1.308 9.074 5.100 1.00 0.55 N ATOM 463 CA ARG A 34 -1.961 9.995 4.174 1.00 0.56 C ATOM 464 C ARG A 34 -3.044 9.284 3.371 1.00 0.48 C ATOM 465 O ARG A 34 -4.198 9.712 3.356 1.00 0.48 O ATOM 466 CB ARG A 34 -0.928 10.596 3.226 1.00 0.65 C ATOM 467 CG ARG A 34 -1.423 11.907 2.619 1.00 0.89 C ATOM 468 CD ARG A 34 -0.363 13.000 2.711 1.00 1.22 C ATOM 469 NE ARG A 34 -0.695 13.942 3.774 1.00 1.69 N ATOM 470 CZ ARG A 34 0.238 14.449 4.572 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.237 15.157 4.062 1.00 2.78 N ATOM 472 NH2 ARG A 34 0.174 14.249 5.883 1.00 2.90 N ATOM 0 H ARG A 34 -0.298 9.002 4.979 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.429 10.790 4.755 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.003 10.772 3.765 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.706 9.886 2.430 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.693 11.747 1.575 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -2.327 12.230 3.136 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.613 12.554 2.903 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.291 13.526 1.759 1.00 1.22 H new ATOM 0 HE ARG A 34 -1.668 14.218 3.908 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.290 15.313 3.055 1.00 2.78 H new ATOM 0 HH12 ARG A 34 1.952 15.546 4.676 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.593 13.705 6.279 1.00 2.90 H new ATOM 0 HH22 ARG A 34 0.891 14.639 6.494 1.00 2.90 H new ATOM 486 N ILE A 35 -2.668 8.200 2.701 1.00 0.45 N ATOM 487 CA ILE A 35 -3.611 7.434 1.892 1.00 0.40 C ATOM 488 C ILE A 35 -4.713 6.849 2.770 1.00 0.34 C ATOM 489 O ILE A 35 -5.893 7.142 2.576 1.00 0.34 O ATOM 490 CB ILE A 35 -2.874 6.318 1.147 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.859 6.907 0.169 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.852 5.407 0.407 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.497 7.117 0.822 1.00 1.29 C ATOM 0 H ILE A 35 -1.717 7.831 2.702 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.071 8.101 1.162 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.344 5.717 1.886 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.752 6.242 -0.688 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -2.230 7.859 -0.211 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.299 4.625 -0.112 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.538 4.953 1.122 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.418 5.993 -0.317 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.195 7.537 0.092 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.599 7.803 1.663 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.113 6.161 1.178 1.00 1.29 H new ATOM 505 N LYS A 36 -4.322 6.018 3.735 1.00 0.35 N ATOM 506 CA LYS A 36 -5.270 5.380 4.650 1.00 0.36 C ATOM 507 C LYS A 36 -6.357 6.357 5.094 1.00 0.39 C ATOM 508 O LYS A 36 -7.511 5.971 5.285 1.00 0.51 O ATOM 509 CB LYS A 36 -4.528 4.850 5.872 1.00 0.44 C ATOM 510 CG LYS A 36 -5.483 4.199 6.869 1.00 1.09 C ATOM 511 CD LYS A 36 -5.256 4.719 8.285 1.00 1.41 C ATOM 512 CE LYS A 36 -5.492 3.630 9.327 1.00 2.17 C ATOM 513 NZ LYS A 36 -4.664 3.858 10.543 1.00 2.76 N ATOM 0 H LYS A 36 -3.348 5.769 3.905 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.749 4.556 4.121 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.779 4.124 5.557 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.995 5.667 6.358 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.512 4.395 6.569 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.347 3.118 6.852 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.237 5.096 8.376 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.925 5.558 8.477 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.547 3.608 9.601 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.254 2.656 8.899 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -4.846 3.102 11.234 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -3.657 3.855 10.283 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -4.910 4.777 10.963 1.00 2.76 H new ATOM 527 N ASP A 37 -5.982 7.622 5.256 1.00 0.40 N ATOM 528 CA ASP A 37 -6.925 8.652 5.676 1.00 0.45 C ATOM 529 C ASP A 37 -7.595 9.288 4.465 1.00 0.44 C ATOM 530 O ASP A 37 -8.746 9.718 4.534 1.00 0.60 O ATOM 531 CB ASP A 37 -6.202 9.723 6.488 1.00 0.51 C ATOM 532 CG ASP A 37 -7.172 10.411 7.437 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.246 10.851 6.975 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.858 10.509 8.642 1.00 1.56 O ATOM 0 H ASP A 37 -5.031 7.958 5.103 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.691 8.187 6.296 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.387 9.272 7.054 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.756 10.458 5.818 1.00 0.51 H new ATOM 539 N GLN A 38 -6.866 9.343 3.357 1.00 0.41 N ATOM 540 CA GLN A 38 -7.384 9.927 2.125 1.00 0.46 C ATOM 541 C GLN A 38 -8.295 8.943 1.410 1.00 0.42 C ATOM 542 O GLN A 38 -9.498 9.171 1.282 1.00 0.68 O ATOM 543 CB GLN A 38 -6.229 10.314 1.207 1.00 0.54 C ATOM 544 CG GLN A 38 -6.688 11.198 0.057 1.00 0.65 C ATOM 545 CD GLN A 38 -7.477 12.394 0.577 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.911 13.453 0.849 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.786 12.225 0.716 1.00 1.66 N ATOM 0 H GLN A 38 -5.912 8.989 3.286 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.959 10.817 2.380 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.466 10.837 1.784 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.765 9.412 0.808 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.823 11.545 -0.509 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.306 10.619 -0.629 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -9.213 11.330 0.478 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -9.365 12.991 1.061 1.00 1.66 H new ATOM 556 N TYR A 39 -7.708 7.849 0.940 1.00 0.34 N ATOM 557 CA TYR A 39 -8.456 6.820 0.228 1.00 0.34 C ATOM 558 C TYR A 39 -9.246 5.927 1.186 1.00 0.30 C ATOM 559 O TYR A 39 -9.898 4.977 0.754 1.00 0.32 O ATOM 560 CB TYR A 39 -7.500 5.970 -0.603 1.00 0.39 C ATOM 561 CG TYR A 39 -6.834 6.746 -1.711 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.787 7.605 -1.428 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.267 6.602 -3.018 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.176 8.317 -2.446 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.656 7.314 -4.036 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.610 8.169 -3.742 1.00 0.66 C ATOM 567 OH TYR A 39 -5.005 8.875 -4.757 1.00 0.77 O ATOM 0 H TYR A 39 -6.712 7.651 1.040 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.171 7.319 -0.426 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.735 5.550 0.050 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.048 5.131 -1.033 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.445 7.720 -0.410 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.084 5.932 -3.244 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.360 8.988 -2.222 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.995 7.202 -5.055 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.296 8.519 -5.622 1.00 0.77 H new ATOM 577 N LYS A 40 -9.192 6.225 2.488 1.00 0.28 N ATOM 578 CA LYS A 40 -9.910 5.430 3.482 1.00 0.31 C ATOM 579 C LYS A 40 -9.624 3.949 3.278 1.00 0.29 C ATOM 580 O LYS A 40 -10.539 3.151 3.073 1.00 0.39 O ATOM 581 CB LYS A 40 -11.409 5.689 3.373 1.00 0.38 C ATOM 582 CG LYS A 40 -11.772 7.096 3.839 1.00 0.86 C ATOM 583 CD LYS A 40 -13.245 7.410 3.587 1.00 1.29 C ATOM 584 CE LYS A 40 -13.924 7.959 4.839 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.216 9.413 4.703 1.00 2.56 N ATOM 0 H LYS A 40 -8.662 7.006 2.874 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.569 5.721 4.476 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.728 5.554 2.339 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.950 4.956 3.972 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.555 7.195 4.903 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.150 7.824 3.318 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.330 8.136 2.778 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.760 6.507 3.260 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.851 7.415 5.021 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.283 7.794 5.705 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.677 9.757 5.569 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.328 9.933 4.554 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.847 9.566 3.891 1.00 2.56 H new ATOM 599 N VAL A 41 -8.347 3.591 3.320 1.00 0.23 N ATOM 600 CA VAL A 41 -7.933 2.210 3.123 1.00 0.23 C ATOM 601 C VAL A 41 -6.917 1.792 4.177 1.00 0.27 C ATOM 602 O VAL A 41 -6.613 2.549 5.097 1.00 0.33 O ATOM 603 CB VAL A 41 -7.330 2.063 1.732 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.417 2.144 0.668 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.268 3.133 1.491 1.00 0.23 C ATOM 0 H VAL A 41 -7.579 4.241 3.489 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.805 1.563 3.219 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.854 1.085 1.667 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.968 2.037 -0.320 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.141 1.345 0.826 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.921 3.108 0.735 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.849 3.011 0.492 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.721 4.121 1.577 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.475 3.032 2.232 1.00 0.23 H new ATOM 615 N SER A 42 -6.393 0.578 4.035 1.00 0.29 N ATOM 616 CA SER A 42 -5.408 0.052 4.972 1.00 0.34 C ATOM 617 C SER A 42 -4.139 -0.355 4.234 1.00 0.30 C ATOM 618 O SER A 42 -4.059 -1.450 3.676 1.00 0.36 O ATOM 619 CB SER A 42 -5.983 -1.148 5.719 1.00 0.43 C ATOM 620 OG SER A 42 -6.046 -0.877 7.112 1.00 0.93 O ATOM 0 H SER A 42 -6.636 -0.061 3.278 1.00 0.29 H new ATOM 0 HA SER A 42 -5.161 0.833 5.691 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.979 -1.377 5.341 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.364 -2.027 5.540 1.00 0.43 H new ATOM 0 HG SER A 42 -6.418 -1.654 7.580 1.00 0.93 H new ATOM 626 N VAL A 43 -3.150 0.532 4.236 1.00 0.33 N ATOM 627 CA VAL A 43 -1.881 0.268 3.568 1.00 0.34 C ATOM 628 C VAL A 43 -0.835 -0.185 4.577 1.00 0.35 C ATOM 629 O VAL A 43 -0.615 0.473 5.593 1.00 0.55 O ATOM 630 CB VAL A 43 -1.397 1.521 2.847 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.170 2.660 3.836 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.125 1.231 2.055 1.00 0.54 C ATOM 0 H VAL A 43 -3.203 1.442 4.694 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.032 -0.527 2.838 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.172 1.830 2.145 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.825 3.544 3.300 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.104 2.888 4.349 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.418 2.363 4.567 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.203 2.139 1.548 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.657 0.892 2.734 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.325 0.455 1.316 1.00 0.54 H new ATOM 642 N ARG A 44 -0.194 -1.313 4.293 1.00 0.31 N ATOM 643 CA ARG A 44 0.828 -1.852 5.181 1.00 0.42 C ATOM 644 C ARG A 44 2.117 -2.132 4.420 1.00 0.40 C ATOM 645 O ARG A 44 2.114 -2.825 3.403 1.00 0.41 O ATOM 646 CB ARG A 44 0.325 -3.134 5.838 1.00 0.52 C ATOM 647 CG ARG A 44 -0.814 -2.854 6.813 1.00 0.78 C ATOM 648 CD ARG A 44 -1.966 -3.840 6.632 1.00 1.05 C ATOM 649 NE ARG A 44 -2.089 -4.698 7.804 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.468 -5.968 7.703 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.269 -6.347 6.716 1.00 2.28 N ATOM 652 NH2 ARG A 44 -2.046 -6.861 8.589 1.00 2.27 N ATOM 0 H ARG A 44 -0.364 -1.871 3.456 1.00 0.31 H new ATOM 0 HA ARG A 44 1.037 -1.110 5.951 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.015 -3.828 5.070 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.146 -3.620 6.366 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.441 -2.914 7.835 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.178 -1.837 6.665 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.897 -3.296 6.472 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.796 -4.449 5.744 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.879 -4.314 8.725 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.595 -5.663 6.033 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -3.559 -7.322 6.640 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.430 -6.573 9.349 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.338 -7.835 8.510 1.00 2.27 H new ATOM 666 N ILE A 45 3.218 -1.588 4.927 1.00 0.46 N ATOM 667 CA ILE A 45 4.527 -1.772 4.312 1.00 0.47 C ATOM 668 C ILE A 45 5.304 -2.857 5.068 1.00 0.53 C ATOM 669 O ILE A 45 5.881 -2.597 6.123 1.00 0.64 O ATOM 670 CB ILE A 45 5.280 -0.428 4.312 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.779 0.455 3.170 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.799 -0.604 4.211 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.237 -0.069 1.808 1.00 0.56 C ATOM 0 H ILE A 45 3.229 -1.012 5.769 1.00 0.46 H new ATOM 0 HA ILE A 45 4.417 -2.101 3.279 1.00 0.47 H new ATOM 0 HB ILE A 45 5.075 0.053 5.268 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.690 0.500 3.195 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.143 1.473 3.310 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.280 0.374 4.215 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.155 -1.187 5.060 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.044 -1.125 3.285 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.861 0.585 1.021 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.326 -0.089 1.773 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.850 -1.077 1.657 1.00 0.56 H new ATOM 685 N PRO A 46 5.329 -4.091 4.531 1.00 0.48 N ATOM 686 CA PRO A 46 6.041 -5.209 5.165 1.00 0.58 C ATOM 687 C PRO A 46 7.558 -5.065 5.051 1.00 0.61 C ATOM 688 O PRO A 46 8.113 -5.124 3.953 1.00 0.56 O ATOM 689 CB PRO A 46 5.545 -6.433 4.398 1.00 0.57 C ATOM 690 CG PRO A 46 5.117 -5.913 3.067 1.00 0.47 C ATOM 691 CD PRO A 46 4.671 -4.490 3.274 1.00 0.41 C ATOM 0 HA PRO A 46 5.846 -5.266 6.236 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.333 -7.179 4.295 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.717 -6.914 4.918 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.939 -5.960 2.352 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.306 -6.516 2.660 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.974 -3.852 2.444 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.586 -4.419 3.351 1.00 0.41 H new ATOM 699 N PRO A 47 8.254 -4.874 6.187 1.00 0.74 N ATOM 700 CA PRO A 47 9.714 -4.724 6.196 1.00 0.81 C ATOM 701 C PRO A 47 10.427 -6.050 5.957 1.00 0.87 C ATOM 702 O PRO A 47 11.241 -6.174 5.041 1.00 1.53 O ATOM 703 CB PRO A 47 10.013 -4.178 7.589 1.00 0.98 C ATOM 704 CG PRO A 47 8.875 -4.628 8.442 1.00 1.03 C ATOM 705 CD PRO A 47 7.678 -4.791 7.541 1.00 0.85 C ATOM 0 HA PRO A 47 10.066 -4.070 5.398 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.962 -4.560 7.966 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.089 -3.091 7.577 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.114 -5.569 8.937 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.670 -3.899 9.226 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.112 -5.689 7.789 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.993 -3.948 7.632 1.00 0.85 H new ATOM 713 N ASP A 48 10.117 -7.040 6.788 1.00 1.32 N ATOM 714 CA ASP A 48 10.727 -8.361 6.670 1.00 1.46 C ATOM 715 C ASP A 48 10.086 -9.150 5.536 1.00 1.48 C ATOM 716 O ASP A 48 8.893 -9.450 5.573 1.00 2.18 O ATOM 717 CB ASP A 48 10.576 -9.125 7.982 1.00 2.16 C ATOM 718 CG ASP A 48 9.196 -9.762 8.068 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.193 -9.038 7.889 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.118 -10.984 8.316 1.00 3.03 O ATOM 0 H ASP A 48 9.446 -6.953 7.551 1.00 1.32 H new ATOM 0 HA ASP A 48 11.786 -8.232 6.448 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.344 -9.895 8.053 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.725 -8.448 8.824 1.00 2.16 H new ATOM 725 N SER A 49 10.886 -9.484 4.528 1.00 1.59 N ATOM 726 CA SER A 49 10.401 -10.240 3.379 1.00 2.11 C ATOM 727 C SER A 49 11.415 -11.303 2.976 1.00 1.90 C ATOM 728 O SER A 49 12.316 -11.639 3.745 1.00 2.33 O ATOM 729 CB SER A 49 10.142 -9.299 2.208 1.00 3.03 C ATOM 730 OG SER A 49 8.964 -9.680 1.512 1.00 3.81 O ATOM 0 H SER A 49 11.876 -9.242 4.484 1.00 1.59 H new ATOM 0 HA SER A 49 9.469 -10.733 3.655 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.041 -8.276 2.572 1.00 3.03 H new ATOM 0 HB3 SER A 49 10.994 -9.313 1.528 1.00 3.03 H new ATOM 0 HG SER A 49 8.318 -8.944 1.536 1.00 3.81 H new ATOM 736 N GLU A 50 11.264 -11.830 1.765 1.00 1.92 N ATOM 737 CA GLU A 50 12.168 -12.856 1.258 1.00 2.27 C ATOM 738 C GLU A 50 12.594 -12.532 -0.167 1.00 2.09 C ATOM 739 O GLU A 50 11.790 -12.603 -1.096 1.00 2.74 O ATOM 740 CB GLU A 50 11.487 -14.220 1.301 1.00 3.06 C ATOM 741 CG GLU A 50 10.040 -14.144 0.817 1.00 3.83 C ATOM 742 CD GLU A 50 9.410 -15.530 0.812 1.00 4.43 C ATOM 743 OE1 GLU A 50 9.859 -16.385 0.020 1.00 4.97 O ATOM 744 OE2 GLU A 50 8.469 -15.760 1.600 1.00 4.75 O ATOM 0 H GLU A 50 10.524 -11.563 1.116 1.00 1.92 H new ATOM 0 HA GLU A 50 13.056 -12.881 1.890 1.00 2.27 H new ATOM 0 HB2 GLU A 50 12.042 -14.924 0.680 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.510 -14.607 2.320 1.00 3.06 H new ATOM 0 HG2 GLU A 50 9.468 -13.479 1.464 1.00 3.83 H new ATOM 0 HG3 GLU A 50 10.007 -13.719 -0.186 1.00 3.83 H new ATOM 751 N LYS A 51 13.863 -12.173 -0.334 1.00 1.76 N ATOM 752 CA LYS A 51 14.400 -11.833 -1.647 1.00 1.77 C ATOM 753 C LYS A 51 13.773 -10.540 -2.155 1.00 1.55 C ATOM 754 O LYS A 51 14.442 -9.511 -2.251 1.00 2.20 O ATOM 755 CB LYS A 51 14.131 -12.966 -2.635 1.00 2.14 C ATOM 756 CG LYS A 51 14.844 -12.730 -3.964 1.00 2.60 C ATOM 757 CD LYS A 51 13.994 -13.192 -5.144 1.00 3.36 C ATOM 758 CE LYS A 51 14.288 -12.376 -6.400 1.00 4.12 C ATOM 759 NZ LYS A 51 14.128 -13.201 -7.630 1.00 4.81 N ATOM 0 H LYS A 51 14.540 -12.110 0.426 1.00 1.76 H new ATOM 0 HA LYS A 51 15.477 -11.690 -1.557 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.463 -13.911 -2.206 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.058 -13.053 -2.807 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.073 -11.670 -4.072 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.795 -13.263 -3.968 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.186 -14.247 -5.341 1.00 3.36 H new ATOM 0 HD3 LYS A 51 12.938 -13.102 -4.890 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.617 -11.518 -6.445 1.00 4.12 H new ATOM 0 HE3 LYS A 51 15.304 -11.984 -6.352 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.334 -12.620 -8.467 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 14.786 -14.006 -7.596 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.152 -13.555 -7.686 1.00 4.81 H new ATOM 773 N SER A 52 12.484 -10.599 -2.474 1.00 1.19 N ATOM 774 CA SER A 52 11.761 -9.432 -2.966 1.00 1.04 C ATOM 775 C SER A 52 10.813 -8.907 -1.896 1.00 0.92 C ATOM 776 O SER A 52 10.935 -9.256 -0.722 1.00 1.19 O ATOM 777 CB SER A 52 10.975 -9.797 -4.222 1.00 1.25 C ATOM 778 OG SER A 52 9.780 -10.481 -3.880 1.00 2.03 O ATOM 0 H SER A 52 11.918 -11.444 -2.400 1.00 1.19 H new ATOM 0 HA SER A 52 12.482 -8.652 -3.210 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.736 -8.894 -4.784 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.586 -10.424 -4.871 1.00 1.25 H new ATOM 0 HG SER A 52 9.287 -10.706 -4.696 1.00 2.03 H new ATOM 784 N ASN A 53 9.867 -8.067 -2.305 1.00 0.68 N ATOM 785 CA ASN A 53 8.900 -7.497 -1.375 1.00 0.61 C ATOM 786 C ASN A 53 7.480 -7.658 -1.906 1.00 0.59 C ATOM 787 O ASN A 53 7.275 -7.923 -3.091 1.00 0.99 O ATOM 788 CB ASN A 53 9.206 -6.020 -1.141 1.00 0.60 C ATOM 789 CG ASN A 53 9.745 -5.809 0.264 1.00 0.89 C ATOM 790 OD1 ASN A 53 10.929 -5.531 0.456 1.00 1.68 O ATOM 791 ND2 ASN A 53 8.871 -5.940 1.246 1.00 1.28 N ATOM 0 H ASN A 53 9.750 -7.767 -3.273 1.00 0.68 H new ATOM 0 HA ASN A 53 8.977 -8.032 -0.429 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.935 -5.672 -1.873 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.302 -5.427 -1.284 1.00 0.60 H new ATOM 0 HD21 ASN A 53 9.167 -5.810 2.213 1.00 1.28 H new ATOM 0 HD22 ASN A 53 7.900 -6.171 1.037 1.00 1.28 H new ATOM 798 N LEU A 54 6.506 -7.503 -1.017 1.00 0.55 N ATOM 799 CA LEU A 54 5.097 -7.634 -1.376 1.00 0.51 C ATOM 800 C LEU A 54 4.235 -6.782 -0.454 1.00 0.44 C ATOM 801 O LEU A 54 3.850 -7.220 0.630 1.00 0.57 O ATOM 802 CB LEU A 54 4.678 -9.097 -1.283 1.00 0.65 C ATOM 803 CG LEU A 54 3.253 -9.337 -1.797 1.00 0.82 C ATOM 804 CD1 LEU A 54 2.237 -9.113 -0.683 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.915 -8.476 -3.014 1.00 1.49 C ATOM 0 H LEU A 54 6.667 -7.285 -0.034 1.00 0.55 H new ATOM 0 HA LEU A 54 4.958 -7.286 -2.399 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.375 -9.708 -1.857 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.746 -9.425 -0.246 1.00 0.65 H new ATOM 0 HG LEU A 54 3.203 -10.377 -2.121 1.00 0.82 H new ATOM 0 HD11 LEU A 54 1.232 -9.288 -1.067 1.00 1.49 H new ATOM 0 HD12 LEU A 54 2.438 -9.803 0.137 1.00 1.49 H new ATOM 0 HD13 LEU A 54 2.314 -8.088 -0.321 1.00 1.49 H new ATOM 0 HD21 LEU A 54 1.895 -8.686 -3.336 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.002 -7.422 -2.750 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.606 -8.705 -3.825 1.00 1.49 H new ATOM 817 N ILE A 55 3.939 -5.556 -0.883 1.00 0.31 N ATOM 818 CA ILE A 55 3.127 -4.644 -0.083 1.00 0.26 C ATOM 819 C ILE A 55 1.706 -5.170 0.048 1.00 0.27 C ATOM 820 O ILE A 55 1.166 -5.773 -0.881 1.00 0.34 O ATOM 821 CB ILE A 55 3.113 -3.254 -0.711 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.536 -2.709 -0.839 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.244 -2.303 0.106 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.549 -1.264 -1.339 1.00 0.35 C ATOM 0 H ILE A 55 4.248 -5.174 -1.777 1.00 0.31 H new ATOM 0 HA ILE A 55 3.568 -4.576 0.912 1.00 0.26 H new ATOM 0 HB ILE A 55 2.685 -3.333 -1.710 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.034 -2.763 0.129 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.105 -3.336 -1.526 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.247 -1.317 -0.359 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.223 -2.683 0.142 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.640 -2.228 1.119 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.579 -0.915 -1.416 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.075 -1.214 -2.319 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.003 -0.632 -0.639 1.00 0.35 H new ATOM 836 N ARG A 56 1.103 -4.941 1.210 1.00 0.29 N ATOM 837 CA ARG A 56 -0.258 -5.393 1.469 1.00 0.32 C ATOM 838 C ARG A 56 -1.218 -4.213 1.494 1.00 0.29 C ATOM 839 O ARG A 56 -0.972 -3.211 2.163 1.00 0.42 O ATOM 840 CB ARG A 56 -0.317 -6.138 2.798 1.00 0.42 C ATOM 841 CG ARG A 56 0.491 -7.431 2.750 1.00 0.55 C ATOM 842 CD ARG A 56 1.736 -7.352 3.629 1.00 0.84 C ATOM 843 NE ARG A 56 1.419 -7.746 4.996 1.00 1.44 N ATOM 844 CZ ARG A 56 2.367 -7.926 5.909 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.002 -9.088 5.989 1.00 2.33 N ATOM 846 NH2 ARG A 56 2.683 -6.945 6.746 1.00 2.19 N ATOM 0 H ARG A 56 1.537 -4.444 1.988 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.556 -6.068 0.667 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.066 -5.498 3.593 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.354 -6.365 3.043 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.133 -8.262 3.077 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.785 -7.639 1.721 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.514 -8.002 3.228 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.132 -6.337 3.619 1.00 0.84 H new ATOM 0 HE ARG A 56 0.444 -7.887 5.259 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.763 -9.845 5.349 1.00 2.33 H new ATOM 0 HH12 ARG A 56 3.730 -9.224 6.691 1.00 2.33 H new ATOM 0 HH21 ARG A 56 2.197 -6.050 6.689 1.00 2.19 H new ATOM 0 HH22 ARG A 56 3.411 -7.087 7.446 1.00 2.19 H new ATOM 860 N ILE A 57 -2.317 -4.343 0.761 1.00 0.24 N ATOM 861 CA ILE A 57 -3.324 -3.292 0.696 1.00 0.24 C ATOM 862 C ILE A 57 -4.716 -3.884 0.846 1.00 0.26 C ATOM 863 O ILE A 57 -4.994 -4.971 0.342 1.00 0.40 O ATOM 864 CB ILE A 57 -3.216 -2.546 -0.630 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.784 -2.070 -0.860 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.186 -1.369 -0.671 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.360 -1.049 0.189 1.00 1.32 C ATOM 0 H ILE A 57 -2.534 -5.168 0.202 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.151 -2.592 1.513 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.484 -3.234 -1.431 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.107 -2.924 -0.833 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.701 -1.629 -1.853 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.091 -0.852 -1.626 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.206 -1.734 -0.556 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.955 -0.678 0.140 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.335 -0.732 -0.005 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -2.022 -0.184 0.144 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.419 -1.500 1.180 1.00 1.32 H new ATOM 879 N GLU A 58 -5.588 -3.171 1.547 1.00 0.23 N ATOM 880 CA GLU A 58 -6.950 -3.637 1.764 1.00 0.25 C ATOM 881 C GLU A 58 -7.821 -2.516 2.309 1.00 0.24 C ATOM 882 O GLU A 58 -7.418 -1.776 3.207 1.00 0.26 O ATOM 883 CB GLU A 58 -6.940 -4.815 2.733 1.00 0.32 C ATOM 884 CG GLU A 58 -8.329 -5.416 2.915 1.00 0.37 C ATOM 885 CD GLU A 58 -8.333 -6.383 4.092 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.239 -6.831 4.498 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.428 -6.690 4.607 1.00 1.56 O ATOM 0 H GLU A 58 -5.376 -2.269 1.974 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.367 -3.959 0.810 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.259 -5.582 2.365 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.558 -4.486 3.699 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.057 -4.623 3.084 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.630 -5.937 2.006 1.00 0.37 H new ATOM 894 N GLY A 59 -9.018 -2.401 1.751 1.00 0.25 N ATOM 895 CA GLY A 59 -9.969 -1.380 2.155 1.00 0.27 C ATOM 896 C GLY A 59 -11.382 -1.913 2.010 1.00 0.39 C ATOM 897 O GLY A 59 -11.632 -3.092 2.265 1.00 0.59 O ATOM 0 H GLY A 59 -9.355 -3.012 1.007 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.785 -1.086 3.188 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.842 -0.488 1.542 1.00 0.27 H new ATOM 901 N ASP A 60 -12.309 -1.059 1.599 1.00 0.53 N ATOM 902 CA ASP A 60 -13.682 -1.488 1.430 1.00 0.70 C ATOM 903 C ASP A 60 -14.270 -1.014 0.104 1.00 0.59 C ATOM 904 O ASP A 60 -14.736 -1.828 -0.693 1.00 1.04 O ATOM 905 CB ASP A 60 -14.531 -0.988 2.587 1.00 1.22 C ATOM 906 CG ASP A 60 -15.406 -2.109 3.132 1.00 1.93 C ATOM 907 OD1 ASP A 60 -16.452 -2.401 2.515 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.045 -2.693 4.175 1.00 2.66 O ATOM 0 H ASP A 60 -12.135 -0.078 1.380 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.687 -2.578 1.419 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.887 -0.604 3.378 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.157 -0.159 2.255 1.00 1.22 H new ATOM 913 N PRO A 61 -14.272 0.305 -0.161 1.00 0.72 N ATOM 914 CA PRO A 61 -14.822 0.849 -1.394 1.00 1.14 C ATOM 915 C PRO A 61 -13.757 1.002 -2.470 1.00 0.88 C ATOM 916 O PRO A 61 -12.666 0.441 -2.362 1.00 1.22 O ATOM 917 CB PRO A 61 -15.368 2.201 -0.943 1.00 1.82 C ATOM 918 CG PRO A 61 -14.577 2.580 0.279 1.00 1.82 C ATOM 919 CD PRO A 61 -13.760 1.381 0.695 1.00 1.17 C ATOM 0 HA PRO A 61 -15.576 0.207 -1.850 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.256 2.949 -1.728 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.432 2.136 -0.715 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.927 3.428 0.064 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.244 2.885 1.085 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.694 1.547 0.537 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.894 1.151 1.752 1.00 1.17 H new ATOM 927 N GLN A 62 -14.073 1.770 -3.506 1.00 0.64 N ATOM 928 CA GLN A 62 -13.133 2.002 -4.595 1.00 0.47 C ATOM 929 C GLN A 62 -11.797 2.498 -4.048 1.00 0.41 C ATOM 930 O GLN A 62 -10.760 2.358 -4.693 1.00 0.47 O ATOM 931 CB GLN A 62 -13.708 3.026 -5.571 1.00 0.69 C ATOM 932 CG GLN A 62 -15.152 2.697 -5.942 1.00 0.85 C ATOM 933 CD GLN A 62 -15.487 3.258 -7.319 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.301 4.172 -7.447 1.00 2.14 O ATOM 935 NE2 GLN A 62 -14.857 2.710 -8.352 1.00 1.73 N ATOM 0 H GLN A 62 -14.971 2.242 -3.615 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.968 1.061 -5.120 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.663 4.020 -5.125 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.097 3.053 -6.473 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.299 1.617 -5.937 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.830 3.114 -5.197 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -14.190 1.954 -8.200 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.041 3.045 -9.298 1.00 1.73 H new ATOM 944 N GLY A 63 -11.834 3.086 -2.855 1.00 0.37 N ATOM 945 CA GLY A 63 -10.638 3.615 -2.213 1.00 0.34 C ATOM 946 C GLY A 63 -9.489 2.611 -2.215 1.00 0.27 C ATOM 947 O GLY A 63 -8.343 2.981 -2.464 1.00 0.29 O ATOM 0 H GLY A 63 -12.688 3.208 -2.311 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.324 4.524 -2.726 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.873 3.894 -1.186 1.00 0.34 H new ATOM 951 N VAL A 64 -9.783 1.345 -1.918 1.00 0.24 N ATOM 952 CA VAL A 64 -8.736 0.327 -1.876 1.00 0.21 C ATOM 953 C VAL A 64 -8.119 0.111 -3.257 1.00 0.24 C ATOM 954 O VAL A 64 -6.896 0.079 -3.398 1.00 0.28 O ATOM 955 CB VAL A 64 -9.265 -0.996 -1.301 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.078 -1.790 -2.320 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.095 -1.831 -0.798 1.00 0.26 C ATOM 0 H VAL A 64 -10.721 1.005 -1.706 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.953 0.691 -1.211 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.937 -0.756 -0.477 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.429 -2.716 -1.864 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.934 -1.198 -2.643 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.453 -2.024 -3.182 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.467 -2.770 -0.389 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.415 -2.039 -1.624 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.564 -1.282 -0.020 1.00 0.26 H new ATOM 967 N GLN A 65 -8.963 -0.036 -4.275 1.00 0.25 N ATOM 968 CA GLN A 65 -8.481 -0.248 -5.636 1.00 0.30 C ATOM 969 C GLN A 65 -7.804 1.010 -6.161 1.00 0.30 C ATOM 970 O GLN A 65 -6.877 0.939 -6.968 1.00 0.34 O ATOM 971 CB GLN A 65 -9.637 -0.638 -6.550 1.00 0.37 C ATOM 972 CG GLN A 65 -10.760 0.392 -6.500 1.00 0.42 C ATOM 973 CD GLN A 65 -11.790 0.110 -7.588 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.373 -0.972 -7.640 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.014 1.087 -8.458 1.00 0.82 N ATOM 0 H GLN A 65 -9.979 -0.012 -4.184 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.752 -1.058 -5.623 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.276 -0.735 -7.574 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.023 -1.614 -6.254 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.240 0.369 -5.522 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.349 1.393 -6.630 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.507 1.968 -8.377 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.693 0.956 -9.208 1.00 0.82 H new ATOM 984 N GLN A 66 -8.271 2.163 -5.696 1.00 0.29 N ATOM 985 CA GLN A 66 -7.710 3.441 -6.113 1.00 0.31 C ATOM 986 C GLN A 66 -6.333 3.636 -5.495 1.00 0.29 C ATOM 987 O GLN A 66 -5.344 3.823 -6.204 1.00 0.36 O ATOM 988 CB GLN A 66 -8.637 4.579 -5.697 1.00 0.35 C ATOM 989 CG GLN A 66 -9.780 4.760 -6.691 1.00 0.79 C ATOM 990 CD GLN A 66 -10.988 5.384 -6.006 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.952 5.687 -4.813 1.00 2.03 O ATOM 992 NE2 GLN A 66 -12.063 5.576 -6.762 1.00 1.31 N ATOM 0 H GLN A 66 -9.039 2.238 -5.028 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.611 3.445 -7.198 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.044 4.375 -4.706 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.067 5.505 -5.623 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.455 5.393 -7.516 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.055 3.796 -7.118 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.048 5.310 -7.747 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.903 5.990 -6.358 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.273 3.583 -4.168 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.015 3.745 -3.453 1.00 0.27 C ATOM 1003 C ALA A 67 -4.006 2.711 -3.933 1.00 0.26 C ATOM 1004 O ALA A 67 -2.807 2.979 -3.998 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.241 3.594 -1.952 1.00 0.29 C ATOM 0 H ALA A 67 -7.083 3.429 -3.567 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.623 4.742 -3.652 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.294 3.717 -1.427 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.945 4.353 -1.612 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.646 2.604 -1.743 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.505 1.526 -4.280 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.652 0.448 -4.766 1.00 0.28 C ATOM 1013 C LYS A 68 -2.951 0.876 -6.049 1.00 0.31 C ATOM 1014 O LYS A 68 -1.761 1.193 -6.045 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.494 -0.803 -5.016 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.666 -1.940 -5.614 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.463 -2.735 -6.643 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.564 -3.289 -7.746 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.281 -3.357 -9.050 1.00 0.88 N ATOM 0 H LYS A 68 -5.496 1.290 -4.233 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.896 0.222 -4.014 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.940 -1.134 -4.078 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.315 -0.559 -5.690 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.771 -1.531 -6.083 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.333 -2.606 -4.818 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.980 -3.557 -6.147 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.228 -2.096 -7.084 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.680 -2.659 -7.848 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.216 -4.284 -7.468 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.643 -3.737 -9.778 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.110 -3.978 -8.958 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.591 -2.403 -9.326 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.699 0.885 -7.148 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.159 1.277 -8.445 1.00 0.43 C ATOM 1035 C ARG A 69 -2.410 2.599 -8.336 1.00 0.42 C ATOM 1036 O ARG A 69 -1.441 2.838 -9.058 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.290 1.407 -9.460 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.754 1.551 -10.880 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.871 1.849 -11.875 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.533 1.318 -13.190 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.136 1.750 -14.292 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.410 2.114 -14.253 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.465 1.818 -15.433 1.00 2.98 N ATOM 0 H ARG A 69 -4.685 0.624 -7.166 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.462 0.508 -8.777 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.935 0.531 -9.401 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.904 2.273 -9.213 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.015 2.352 -10.911 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.242 0.634 -11.171 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.805 1.408 -11.526 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.032 2.925 -11.940 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.816 0.597 -13.266 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.928 2.063 -13.376 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.872 2.446 -15.100 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.485 1.538 -15.466 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -4.929 2.150 -16.279 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.863 3.455 -7.426 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.238 4.754 -7.215 1.00 0.43 C ATOM 1059 C GLU A 70 -0.796 4.580 -6.759 1.00 0.44 C ATOM 1060 O GLU A 70 0.099 5.299 -7.203 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.020 5.544 -6.171 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.492 6.970 -6.033 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.330 7.927 -6.870 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.508 7.610 -7.138 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.808 8.993 -7.258 1.00 1.38 O ATOM 0 H GLU A 70 -3.664 3.271 -6.821 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.244 5.302 -8.157 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.074 5.571 -6.448 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.957 5.037 -5.208 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.516 7.274 -4.987 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.451 7.012 -6.353 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.579 3.618 -5.870 1.00 0.40 N ATOM 1073 CA LEU A 71 0.753 3.340 -5.347 1.00 0.47 C ATOM 1074 C LEU A 71 1.665 2.824 -6.452 1.00 0.52 C ATOM 1075 O LEU A 71 2.807 3.265 -6.586 1.00 0.60 O ATOM 1076 CB LEU A 71 0.663 2.308 -4.228 1.00 0.51 C ATOM 1077 CG LEU A 71 0.299 2.954 -2.893 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.708 2.096 -2.134 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.549 3.193 -2.051 1.00 1.15 C ATOM 0 H LEU A 71 -1.312 3.015 -5.495 1.00 0.40 H new ATOM 0 HA LEU A 71 1.173 4.266 -4.954 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.084 1.557 -4.485 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.617 1.789 -4.133 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.164 3.920 -3.097 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.953 2.575 -1.186 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.614 1.986 -2.730 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.278 1.113 -1.943 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.267 3.654 -1.104 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.045 2.242 -1.858 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.229 3.854 -2.588 1.00 1.15 H new ATOM 1091 N LEU A 72 1.155 1.882 -7.239 1.00 0.52 N ATOM 1092 CA LEU A 72 1.922 1.295 -8.334 1.00 0.63 C ATOM 1093 C LEU A 72 2.349 2.365 -9.334 1.00 0.67 C ATOM 1094 O LEU A 72 3.437 2.291 -9.906 1.00 0.83 O ATOM 1095 CB LEU A 72 1.086 0.232 -9.040 1.00 0.66 C ATOM 1096 CG LEU A 72 0.833 -0.975 -8.139 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.655 -1.310 -8.093 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.641 -2.180 -8.608 1.00 1.04 C ATOM 0 H LEU A 72 0.212 1.508 -7.139 1.00 0.52 H new ATOM 0 HA LEU A 72 2.819 0.836 -7.918 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.133 0.663 -9.348 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.598 -0.091 -9.947 1.00 0.66 H new ATOM 0 HG LEU A 72 1.158 -0.720 -7.130 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.814 -2.173 -7.446 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.208 -0.456 -7.702 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.007 -1.541 -9.098 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.445 -3.028 -7.951 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.353 -2.437 -9.628 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.704 -1.938 -8.581 1.00 1.04 H new ATOM 1110 N GLU A 73 1.487 3.354 -9.547 1.00 0.64 N ATOM 1111 CA GLU A 73 1.776 4.434 -10.486 1.00 0.74 C ATOM 1112 C GLU A 73 2.610 5.525 -9.822 1.00 0.71 C ATOM 1113 O GLU A 73 3.804 5.653 -10.087 1.00 0.88 O ATOM 1114 CB GLU A 73 0.474 5.027 -11.015 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.104 4.193 -12.155 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.458 4.744 -12.581 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.584 5.981 -12.707 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -2.392 3.939 -12.786 1.00 2.05 O ATOM 0 H GLU A 73 0.582 3.431 -9.082 1.00 0.64 H new ATOM 0 HA GLU A 73 2.349 4.021 -11.316 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.253 5.090 -10.205 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.652 6.045 -11.363 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.581 4.199 -13.003 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.210 3.155 -11.838 1.00 1.00 H new ATOM 1125 N LEU A 74 1.972 6.311 -8.959 1.00 0.64 N ATOM 1126 CA LEU A 74 2.645 7.397 -8.257 1.00 0.71 C ATOM 1127 C LEU A 74 3.975 6.933 -7.672 1.00 0.82 C ATOM 1128 O LEU A 74 5.031 7.468 -8.008 1.00 1.13 O ATOM 1129 CB LEU A 74 1.731 7.908 -7.147 1.00 0.85 C ATOM 1130 CG LEU A 74 0.556 8.760 -7.669 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.893 10.243 -7.569 1.00 1.32 C ATOM 1132 CD2 LEU A 74 0.134 8.405 -9.102 1.00 1.19 C ATOM 0 H LEU A 74 0.983 6.214 -8.729 1.00 0.64 H new ATOM 0 HA LEU A 74 2.857 8.199 -8.964 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.336 7.058 -6.591 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.318 8.502 -6.446 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.298 8.532 -7.031 1.00 0.99 H new ATOM 0 HD11 LEU A 74 0.055 10.832 -7.941 1.00 1.32 H new ATOM 0 HD12 LEU A 74 1.086 10.503 -6.528 1.00 1.32 H new ATOM 0 HD13 LEU A 74 1.780 10.456 -8.166 1.00 1.32 H new ATOM 0 HD21 LEU A 74 -0.697 9.042 -9.405 1.00 1.19 H new ATOM 0 HD22 LEU A 74 0.975 8.559 -9.778 1.00 1.19 H new ATOM 0 HD23 LEU A 74 -0.176 7.361 -9.142 1.00 1.19 H new ATOM 1144 N ALA A 75 3.918 5.935 -6.795 1.00 0.78 N ATOM 1145 CA ALA A 75 5.120 5.402 -6.167 1.00 0.99 C ATOM 1146 C ALA A 75 5.914 6.521 -5.504 1.00 1.70 C ATOM 1147 O ALA A 75 7.104 6.693 -5.768 1.00 2.16 O ATOM 1148 CB ALA A 75 5.984 4.699 -7.209 1.00 1.14 C ATOM 0 H ALA A 75 3.053 5.480 -6.504 1.00 0.78 H new ATOM 0 HA ALA A 75 4.825 4.683 -5.403 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.880 4.303 -6.731 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.420 3.881 -7.657 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.270 5.410 -7.984 1.00 1.14 H new