USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 17 ASN : amide:sc= -2.37! C(o=-2.4!,f=-7.8!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 36:sc= 1.57 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -122:sc= 0.294 (180deg=-0.0863) USER MOD Set 3.1: A 12 ASN : amide:sc= -0.0618 K(o=0.95,f=0.084) USER MOD Set 3.2: A 64 THR OG1 : rot 32:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0367 (180deg=-0.312) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 7 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.78) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 10 THR OG1 : rot -109:sc=5.41e-05 USER MOD Single : A 18 ASN : amide:sc= -0.0585 K(o=-0.058,f=-1.8) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 39:sc= 0.0157 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 32 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.1) USER MOD Single : A 35 TYR OH : rot 89:sc= -0.469 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0558 (180deg=-0.308) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0376) USER MOD Single : A 45 TYR OH : rot -154:sc= 1.02 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.000107 F(o=-1.1,f=-0.00011) USER MOD Single : A 66 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.1) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.706 USER MOD Single : A 70 GLN : amide:sc= 1.17 K(o=1.2,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0407) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0136 (180deg=-0.158) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.723 17.406 -8.138 1.00 0.00 N ATOM 2 CA MET A 1 23.430 16.384 -7.108 1.00 0.00 C ATOM 3 C MET A 1 21.928 16.188 -6.965 1.00 0.00 C ATOM 4 O MET A 1 21.247 16.981 -6.313 1.00 0.00 O ATOM 5 CB MET A 1 24.031 16.773 -5.752 1.00 0.00 C ATOM 6 CG MET A 1 25.549 16.770 -5.728 1.00 0.00 C ATOM 7 SD MET A 1 26.228 16.981 -4.067 1.00 0.00 S ATOM 8 CE MET A 1 25.570 18.587 -3.622 1.00 0.00 C ATOM 0 H1 MET A 1 24.752 17.528 -8.223 1.00 0.00 H new ATOM 0 H2 MET A 1 23.334 17.099 -9.052 1.00 0.00 H new ATOM 0 H3 MET A 1 23.289 18.310 -7.863 1.00 0.00 H new ATOM 0 HA MET A 1 23.886 15.448 -7.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.675 17.767 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.664 16.083 -4.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.912 15.831 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.919 17.569 -6.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.068 18.948 -2.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.742 19.289 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.499 18.503 -3.435 1.00 0.00 H new ATOM 20 N ASP A 2 21.415 15.142 -7.590 1.00 0.00 N ATOM 21 CA ASP A 2 20.005 14.807 -7.492 1.00 0.00 C ATOM 22 C ASP A 2 19.824 13.612 -6.571 1.00 0.00 C ATOM 23 O ASP A 2 20.195 12.488 -6.914 1.00 0.00 O ATOM 24 CB ASP A 2 19.416 14.501 -8.872 1.00 0.00 C ATOM 25 CG ASP A 2 17.983 14.010 -8.796 1.00 0.00 C ATOM 26 OD1 ASP A 2 17.079 14.824 -8.505 1.00 0.00 O ATOM 27 OD2 ASP A 2 17.751 12.803 -9.027 1.00 0.00 O ATOM 0 H ASP A 2 21.958 14.506 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 2 19.474 15.665 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.457 15.399 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.029 13.747 -9.366 1.00 0.00 H new ATOM 32 N PHE A 3 19.279 13.860 -5.394 1.00 0.00 N ATOM 33 CA PHE A 3 19.087 12.809 -4.412 1.00 0.00 C ATOM 34 C PHE A 3 17.643 12.332 -4.411 1.00 0.00 C ATOM 35 O PHE A 3 16.761 12.993 -3.859 1.00 0.00 O ATOM 36 CB PHE A 3 19.474 13.296 -3.012 1.00 0.00 C ATOM 37 CG PHE A 3 20.924 13.672 -2.876 1.00 0.00 C ATOM 38 CD1 PHE A 3 21.888 12.700 -2.666 1.00 0.00 C ATOM 39 CD2 PHE A 3 21.320 14.998 -2.953 1.00 0.00 C ATOM 40 CE1 PHE A 3 23.220 13.043 -2.536 1.00 0.00 C ATOM 41 CE2 PHE A 3 22.650 15.347 -2.823 1.00 0.00 C ATOM 42 CZ PHE A 3 23.601 14.368 -2.615 1.00 0.00 C ATOM 0 H PHE A 3 18.961 14.782 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 3 19.734 11.975 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.860 14.159 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.242 12.514 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.595 11.662 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.580 15.767 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 3 23.962 12.276 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 3 22.946 16.384 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 3 24.642 14.638 -2.514 1.00 0.00 H new ATOM 52 N GLY A 4 17.399 11.203 -5.055 1.00 0.00 N ATOM 53 CA GLY A 4 16.087 10.602 -5.009 1.00 0.00 C ATOM 54 C GLY A 4 15.802 10.039 -3.636 1.00 0.00 C ATOM 55 O GLY A 4 16.732 9.656 -2.922 1.00 0.00 O ATOM 0 H GLY A 4 18.087 10.693 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.332 11.345 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.019 9.809 -5.753 1.00 0.00 H new ATOM 59 N LYS A 5 14.539 9.998 -3.251 1.00 0.00 N ATOM 60 CA LYS A 5 14.170 9.517 -1.929 1.00 0.00 C ATOM 61 C LYS A 5 13.892 8.020 -1.944 1.00 0.00 C ATOM 62 O LYS A 5 12.924 7.563 -2.550 1.00 0.00 O ATOM 63 CB LYS A 5 12.946 10.262 -1.395 1.00 0.00 C ATOM 64 CG LYS A 5 13.212 11.720 -1.055 1.00 0.00 C ATOM 65 CD LYS A 5 12.017 12.349 -0.362 1.00 0.00 C ATOM 66 CE LYS A 5 12.307 13.777 0.081 1.00 0.00 C ATOM 67 NZ LYS A 5 12.520 14.696 -1.069 1.00 0.00 N ATOM 0 H LYS A 5 13.753 10.291 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 5 15.016 9.709 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.150 10.212 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.583 9.752 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.088 11.792 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.440 12.273 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.161 12.345 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.742 11.748 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.477 14.142 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.192 13.784 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.646 15.667 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.369 14.404 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.694 14.660 -1.700 1.00 0.00 H new ATOM 81 N PRO A 6 14.758 7.232 -1.293 1.00 0.00 N ATOM 82 CA PRO A 6 14.534 5.807 -1.100 1.00 0.00 C ATOM 83 C PRO A 6 13.590 5.566 0.071 1.00 0.00 C ATOM 84 O PRO A 6 12.947 4.524 0.169 1.00 0.00 O ATOM 85 CB PRO A 6 15.933 5.251 -0.792 1.00 0.00 C ATOM 86 CG PRO A 6 16.873 6.414 -0.867 1.00 0.00 C ATOM 87 CD PRO A 6 16.036 7.650 -0.715 1.00 0.00 C ATOM 0 HA PRO A 6 14.074 5.332 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.960 4.792 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.211 4.479 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.625 6.356 -0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.406 6.421 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.933 7.946 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.465 8.500 -1.246 1.00 0.00 H new ATOM 95 N ASN A 7 13.510 6.555 0.952 1.00 0.00 N ATOM 96 CA ASN A 7 12.631 6.487 2.108 1.00 0.00 C ATOM 97 C ASN A 7 11.210 6.882 1.727 1.00 0.00 C ATOM 98 O ASN A 7 10.748 7.987 2.011 1.00 0.00 O ATOM 99 CB ASN A 7 13.165 7.360 3.259 1.00 0.00 C ATOM 100 CG ASN A 7 13.592 8.756 2.826 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.732 8.969 2.410 1.00 0.00 O ATOM 102 ND2 ASN A 7 12.694 9.721 2.939 1.00 0.00 N ATOM 0 H ASN A 7 14.048 7.419 0.885 1.00 0.00 H new ATOM 0 HA ASN A 7 12.609 5.456 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.394 7.447 4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 7 14.015 6.857 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.937 10.677 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.759 9.509 3.287 1.00 0.00 H new ATOM 109 N GLN A 8 10.532 5.970 1.053 1.00 0.00 N ATOM 110 CA GLN A 8 9.156 6.181 0.645 1.00 0.00 C ATOM 111 C GLN A 8 8.366 4.890 0.793 1.00 0.00 C ATOM 112 O GLN A 8 8.904 3.795 0.602 1.00 0.00 O ATOM 113 CB GLN A 8 9.090 6.686 -0.800 1.00 0.00 C ATOM 114 CG GLN A 8 9.770 5.771 -1.809 1.00 0.00 C ATOM 115 CD GLN A 8 9.633 6.266 -3.235 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.541 7.467 -3.483 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.622 5.343 -4.185 1.00 0.00 N ATOM 0 H GLN A 8 10.918 5.068 0.775 1.00 0.00 H new ATOM 0 HA GLN A 8 8.715 6.941 1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.045 6.809 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.552 7.672 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.827 5.684 -1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.341 4.772 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.701 4.356 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.535 5.619 -5.163 1.00 0.00 H new ATOM 126 N VAL A 9 7.101 5.017 1.152 1.00 0.00 N ATOM 127 CA VAL A 9 6.239 3.859 1.309 1.00 0.00 C ATOM 128 C VAL A 9 5.168 3.852 0.230 1.00 0.00 C ATOM 129 O VAL A 9 4.322 4.744 0.172 1.00 0.00 O ATOM 130 CB VAL A 9 5.579 3.822 2.705 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.637 2.636 2.830 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.638 3.772 3.795 1.00 0.00 C ATOM 0 H VAL A 9 6.648 5.911 1.340 1.00 0.00 H new ATOM 0 HA VAL A 9 6.861 2.970 1.210 1.00 0.00 H new ATOM 0 HB VAL A 9 4.996 4.735 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.185 2.633 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.854 2.712 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.195 1.711 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.154 3.746 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.248 2.878 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.272 4.656 3.727 1.00 0.00 H new ATOM 142 N THR A 10 5.223 2.856 -0.636 1.00 0.00 N ATOM 143 CA THR A 10 4.281 2.747 -1.734 1.00 0.00 C ATOM 144 C THR A 10 3.183 1.740 -1.404 1.00 0.00 C ATOM 145 O THR A 10 3.435 0.537 -1.316 1.00 0.00 O ATOM 146 CB THR A 10 5.006 2.315 -3.022 1.00 0.00 C ATOM 147 OG1 THR A 10 6.201 3.092 -3.180 1.00 0.00 O ATOM 148 CG2 THR A 10 4.111 2.500 -4.241 1.00 0.00 C ATOM 0 H THR A 10 5.915 2.107 -0.599 1.00 0.00 H new ATOM 0 HA THR A 10 3.828 3.726 -1.889 1.00 0.00 H new ATOM 0 HB THR A 10 5.258 1.258 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.090 3.714 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.647 2.187 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.211 1.895 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.833 3.550 -4.332 1.00 0.00 H new ATOM 156 N VAL A 11 1.971 2.232 -1.209 1.00 0.00 N ATOM 157 CA VAL A 11 0.852 1.365 -0.881 1.00 0.00 C ATOM 158 C VAL A 11 0.190 0.846 -2.152 1.00 0.00 C ATOM 159 O VAL A 11 -0.227 1.624 -3.012 1.00 0.00 O ATOM 160 CB VAL A 11 -0.198 2.093 -0.015 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.332 1.156 0.369 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.449 2.691 1.225 1.00 0.00 C ATOM 0 H VAL A 11 1.737 3.223 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 11 1.249 0.527 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.619 2.905 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.058 1.694 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.819 0.786 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.933 0.316 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.309 3.199 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.904 1.897 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.216 3.406 0.926 1.00 0.00 H new ATOM 172 N ASN A 12 0.120 -0.471 -2.265 1.00 0.00 N ATOM 173 CA ASN A 12 -0.492 -1.118 -3.414 1.00 0.00 C ATOM 174 C ASN A 12 -1.851 -1.684 -3.043 1.00 0.00 C ATOM 175 O ASN A 12 -1.942 -2.642 -2.273 1.00 0.00 O ATOM 176 CB ASN A 12 0.393 -2.252 -3.941 1.00 0.00 C ATOM 177 CG ASN A 12 1.564 -1.769 -4.773 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.478 -0.759 -5.474 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.668 -2.495 -4.708 1.00 0.00 N ATOM 0 H ASN A 12 0.484 -1.119 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.609 -0.365 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.771 -2.829 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.216 -2.927 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.489 -2.225 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.699 -3.325 -4.115 1.00 0.00 H new ATOM 186 N TYR A 13 -2.902 -1.085 -3.575 1.00 0.00 N ATOM 187 CA TYR A 13 -4.242 -1.624 -3.409 1.00 0.00 C ATOM 188 C TYR A 13 -4.479 -2.686 -4.474 1.00 0.00 C ATOM 189 O TYR A 13 -4.769 -2.365 -5.626 1.00 0.00 O ATOM 190 CB TYR A 13 -5.295 -0.519 -3.526 1.00 0.00 C ATOM 191 CG TYR A 13 -5.118 0.615 -2.540 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.697 0.562 -1.279 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.382 1.744 -2.878 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.546 1.601 -0.381 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.231 2.789 -1.987 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.814 2.714 -0.741 1.00 0.00 C ATOM 197 OH TYR A 13 -4.674 3.759 0.144 1.00 0.00 O ATOM 0 H TYR A 13 -2.855 -0.227 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.329 -2.065 -2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.269 -0.113 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.283 -0.958 -3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.275 -0.305 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.921 1.806 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.999 1.542 0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.658 3.661 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.602 3.408 1.056 1.00 0.00 H new ATOM 207 N LEU A 14 -4.323 -3.942 -4.100 1.00 0.00 N ATOM 208 CA LEU A 14 -4.367 -5.029 -5.064 1.00 0.00 C ATOM 209 C LEU A 14 -5.712 -5.735 -5.041 1.00 0.00 C ATOM 210 O LEU A 14 -6.428 -5.695 -4.043 1.00 0.00 O ATOM 211 CB LEU A 14 -3.256 -6.038 -4.765 1.00 0.00 C ATOM 212 CG LEU A 14 -1.849 -5.451 -4.662 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.843 -6.540 -4.324 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.462 -4.749 -5.954 1.00 0.00 C ATOM 0 H LEU A 14 -4.165 -4.236 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.220 -4.602 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.490 -6.544 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.258 -6.798 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.844 -4.713 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.154 -6.105 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.107 -6.996 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.854 -7.300 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.457 -4.339 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.486 -5.463 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.166 -3.941 -6.154 1.00 0.00 H new ATOM 226 N ASP A 15 -6.046 -6.361 -6.159 1.00 0.00 N ATOM 227 CA ASP A 15 -7.208 -7.239 -6.243 1.00 0.00 C ATOM 228 C ASP A 15 -6.762 -8.648 -5.841 1.00 0.00 C ATOM 229 O ASP A 15 -5.672 -8.817 -5.296 1.00 0.00 O ATOM 230 CB ASP A 15 -7.769 -7.219 -7.677 1.00 0.00 C ATOM 231 CG ASP A 15 -9.181 -7.783 -7.811 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.331 -9.019 -7.918 1.00 0.00 O ATOM 233 OD2 ASP A 15 -10.144 -6.989 -7.852 1.00 0.00 O ATOM 0 H ASP A 15 -5.524 -6.277 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.001 -6.905 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.766 -6.192 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.101 -7.788 -8.323 1.00 0.00 H new ATOM 238 N GLU A 16 -7.567 -9.653 -6.133 1.00 0.00 N ATOM 239 CA GLU A 16 -7.228 -11.029 -5.789 1.00 0.00 C ATOM 240 C GLU A 16 -6.227 -11.570 -6.801 1.00 0.00 C ATOM 241 O GLU A 16 -5.403 -12.435 -6.491 1.00 0.00 O ATOM 242 CB GLU A 16 -8.478 -11.914 -5.759 1.00 0.00 C ATOM 243 CG GLU A 16 -8.218 -13.305 -5.204 1.00 0.00 C ATOM 244 CD GLU A 16 -9.391 -14.239 -5.394 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.268 -14.295 -4.508 1.00 0.00 O ATOM 246 OE2 GLU A 16 -9.443 -14.925 -6.437 1.00 0.00 O ATOM 0 H GLU A 16 -8.463 -9.546 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.786 -11.041 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.245 -11.427 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.876 -12.002 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.340 -13.728 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.987 -13.230 -4.141 1.00 0.00 H new ATOM 253 N ASN A 17 -6.298 -11.039 -8.019 1.00 0.00 N ATOM 254 CA ASN A 17 -5.303 -11.329 -9.046 1.00 0.00 C ATOM 255 C ASN A 17 -4.049 -10.511 -8.760 1.00 0.00 C ATOM 256 O ASN A 17 -3.057 -10.577 -9.486 1.00 0.00 O ATOM 257 CB ASN A 17 -5.851 -11.020 -10.449 1.00 0.00 C ATOM 258 CG ASN A 17 -5.997 -9.534 -10.731 1.00 0.00 C ATOM 259 OD1 ASN A 17 -6.138 -8.719 -9.820 1.00 0.00 O ATOM 260 ND2 ASN A 17 -5.988 -9.175 -12.004 1.00 0.00 N ATOM 0 H ASN A 17 -7.037 -10.403 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.058 -12.391 -9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.188 -11.459 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.823 -11.500 -10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.100 -8.194 -12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.869 -9.880 -12.732 1.00 0.00 H new ATOM 267 N ASN A 18 -4.143 -9.724 -7.690 1.00 0.00 N ATOM 268 CA ASN A 18 -3.033 -8.965 -7.130 1.00 0.00 C ATOM 269 C ASN A 18 -2.601 -7.815 -8.032 1.00 0.00 C ATOM 270 O ASN A 18 -1.492 -7.297 -7.901 1.00 0.00 O ATOM 271 CB ASN A 18 -1.841 -9.880 -6.816 1.00 0.00 C ATOM 272 CG ASN A 18 -2.131 -10.839 -5.675 1.00 0.00 C ATOM 273 OD1 ASN A 18 -2.891 -10.524 -4.760 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.530 -12.018 -5.716 1.00 0.00 N ATOM 0 H ASN A 18 -5.016 -9.595 -7.178 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.393 -8.527 -6.199 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.579 -10.449 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.975 -9.269 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.691 -12.699 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.906 -12.246 -6.490 1.00 0.00 H new ATOM 281 N THR A 19 -3.476 -7.402 -8.932 1.00 0.00 N ATOM 282 CA THR A 19 -3.221 -6.228 -9.744 1.00 0.00 C ATOM 283 C THR A 19 -3.767 -4.988 -9.039 1.00 0.00 C ATOM 284 O THR A 19 -4.824 -5.046 -8.409 1.00 0.00 O ATOM 285 CB THR A 19 -3.857 -6.369 -11.141 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.386 -7.574 -11.761 1.00 0.00 O ATOM 287 CG2 THR A 19 -3.516 -5.180 -12.028 1.00 0.00 C ATOM 0 H THR A 19 -4.367 -7.862 -9.118 1.00 0.00 H new ATOM 0 HA THR A 19 -2.144 -6.126 -9.875 1.00 0.00 H new ATOM 0 HB THR A 19 -4.940 -6.406 -11.019 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.791 -7.665 -12.649 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.980 -5.311 -13.006 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.889 -4.265 -11.569 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.434 -5.112 -12.146 1.00 0.00 H new ATOM 295 N SER A 20 -3.030 -3.888 -9.116 1.00 0.00 N ATOM 296 CA SER A 20 -3.416 -2.653 -8.447 1.00 0.00 C ATOM 297 C SER A 20 -4.730 -2.102 -9.002 1.00 0.00 C ATOM 298 O SER A 20 -4.789 -1.612 -10.129 1.00 0.00 O ATOM 299 CB SER A 20 -2.304 -1.613 -8.598 1.00 0.00 C ATOM 300 OG SER A 20 -1.055 -2.145 -8.186 1.00 0.00 O ATOM 0 H SER A 20 -2.156 -3.826 -9.639 1.00 0.00 H new ATOM 0 HA SER A 20 -3.568 -2.874 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.241 -1.290 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.542 -0.731 -8.004 1.00 0.00 H new ATOM 0 HG SER A 20 -0.358 -1.464 -8.293 1.00 0.00 H new ATOM 306 N ILE A 21 -5.784 -2.198 -8.200 1.00 0.00 N ATOM 307 CA ILE A 21 -7.084 -1.659 -8.571 1.00 0.00 C ATOM 308 C ILE A 21 -7.090 -0.145 -8.409 1.00 0.00 C ATOM 309 O ILE A 21 -7.725 0.577 -9.178 1.00 0.00 O ATOM 310 CB ILE A 21 -8.224 -2.274 -7.725 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.911 -2.155 -6.229 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.448 -3.725 -8.120 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.003 -2.691 -5.327 1.00 0.00 C ATOM 0 H ILE A 21 -5.762 -2.647 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.259 -1.919 -9.615 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.142 -1.720 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.985 -2.690 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.736 -1.107 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.253 -4.146 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.719 -3.777 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.533 -4.293 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.706 -2.571 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.926 -2.141 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.164 -3.748 -5.539 1.00 0.00 H new ATOM 325 N ALA A 22 -6.349 0.328 -7.420 1.00 0.00 N ATOM 326 CA ALA A 22 -6.216 1.751 -7.174 1.00 0.00 C ATOM 327 C ALA A 22 -4.787 2.187 -7.473 1.00 0.00 C ATOM 328 O ALA A 22 -3.875 1.357 -7.460 1.00 0.00 O ATOM 329 CB ALA A 22 -6.593 2.077 -5.733 1.00 0.00 C ATOM 0 H ALA A 22 -5.827 -0.260 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.894 2.296 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.488 3.149 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.626 1.780 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.935 1.536 -5.053 1.00 0.00 H new ATOM 335 N PRO A 23 -4.573 3.479 -7.769 1.00 0.00 N ATOM 336 CA PRO A 23 -3.236 4.013 -8.053 1.00 0.00 C ATOM 337 C PRO A 23 -2.269 3.790 -6.894 1.00 0.00 C ATOM 338 O PRO A 23 -2.671 3.780 -5.725 1.00 0.00 O ATOM 339 CB PRO A 23 -3.473 5.512 -8.273 1.00 0.00 C ATOM 340 CG PRO A 23 -4.818 5.789 -7.691 1.00 0.00 C ATOM 341 CD PRO A 23 -5.605 4.522 -7.855 1.00 0.00 C ATOM 0 HA PRO A 23 -2.779 3.518 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.703 6.108 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.444 5.763 -9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.739 6.067 -6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.303 6.619 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.358 4.410 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.129 4.493 -8.810 1.00 0.00 H new ATOM 349 N SER A 24 -0.998 3.605 -7.227 1.00 0.00 N ATOM 350 CA SER A 24 0.032 3.386 -6.228 1.00 0.00 C ATOM 351 C SER A 24 0.177 4.612 -5.328 1.00 0.00 C ATOM 352 O SER A 24 0.445 5.720 -5.802 1.00 0.00 O ATOM 353 CB SER A 24 1.359 3.051 -6.917 1.00 0.00 C ATOM 354 OG SER A 24 1.580 3.894 -8.040 1.00 0.00 O ATOM 0 H SER A 24 -0.657 3.603 -8.188 1.00 0.00 H new ATOM 0 HA SER A 24 -0.256 2.544 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.179 3.163 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.354 2.009 -7.236 1.00 0.00 H new ATOM 0 HG SER A 24 1.275 4.802 -7.833 1.00 0.00 H new ATOM 360 N LEU A 25 -0.018 4.409 -4.037 1.00 0.00 N ATOM 361 CA LEU A 25 0.007 5.506 -3.086 1.00 0.00 C ATOM 362 C LEU A 25 1.426 5.726 -2.584 1.00 0.00 C ATOM 363 O LEU A 25 1.954 4.925 -1.813 1.00 0.00 O ATOM 364 CB LEU A 25 -0.938 5.200 -1.914 1.00 0.00 C ATOM 365 CG LEU A 25 -1.444 6.407 -1.109 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.334 7.034 -0.278 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.060 7.441 -2.038 1.00 0.00 C ATOM 0 H LEU A 25 -0.196 3.494 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.331 6.418 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.803 4.663 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.425 4.524 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.209 6.048 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.731 7.884 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.058 6.296 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.467 7.372 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.414 8.290 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.311 7.780 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.898 6.995 -2.574 1.00 0.00 H new ATOM 379 N TYR A 26 2.043 6.799 -3.043 1.00 0.00 N ATOM 380 CA TYR A 26 3.372 7.164 -2.586 1.00 0.00 C ATOM 381 C TYR A 26 3.283 8.016 -1.331 1.00 0.00 C ATOM 382 O TYR A 26 3.051 9.225 -1.398 1.00 0.00 O ATOM 383 CB TYR A 26 4.141 7.906 -3.680 1.00 0.00 C ATOM 384 CG TYR A 26 4.591 7.009 -4.812 1.00 0.00 C ATOM 385 CD1 TYR A 26 3.733 6.681 -5.854 1.00 0.00 C ATOM 386 CD2 TYR A 26 5.877 6.487 -4.831 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.146 5.856 -6.882 1.00 0.00 C ATOM 388 CE2 TYR A 26 6.297 5.663 -5.856 1.00 0.00 C ATOM 389 CZ TYR A 26 5.428 5.351 -6.879 1.00 0.00 C ATOM 390 OH TYR A 26 5.844 4.530 -7.905 1.00 0.00 O ATOM 0 H TYR A 26 1.644 7.435 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 26 3.915 6.248 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.511 8.699 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.014 8.387 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.728 7.077 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.560 6.729 -4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.467 5.608 -7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.301 5.265 -5.856 1.00 0.00 H new ATOM 0 HH TYR A 26 6.774 4.261 -7.752 1.00 0.00 H new ATOM 400 N LEU A 27 3.433 7.371 -0.189 1.00 0.00 N ATOM 401 CA LEU A 27 3.399 8.058 1.086 1.00 0.00 C ATOM 402 C LEU A 27 4.780 8.618 1.387 1.00 0.00 C ATOM 403 O LEU A 27 5.783 7.908 1.268 1.00 0.00 O ATOM 404 CB LEU A 27 2.958 7.094 2.190 1.00 0.00 C ATOM 405 CG LEU A 27 2.612 7.741 3.531 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.384 8.624 3.396 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.379 6.676 4.584 1.00 0.00 C ATOM 0 H LEU A 27 3.581 6.364 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 27 2.682 8.878 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.087 6.541 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.754 6.367 2.352 1.00 0.00 H new ATOM 0 HG LEU A 27 3.452 8.362 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.153 9.076 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.579 9.409 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.538 8.022 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.134 7.151 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.554 6.034 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.282 6.076 4.701 1.00 0.00 H new ATOM 419 N SER A 28 4.833 9.885 1.761 1.00 0.00 N ATOM 420 CA SER A 28 6.101 10.556 1.982 1.00 0.00 C ATOM 421 C SER A 28 6.403 10.699 3.472 1.00 0.00 C ATOM 422 O SER A 28 5.500 10.662 4.310 1.00 0.00 O ATOM 423 CB SER A 28 6.092 11.925 1.294 1.00 0.00 C ATOM 424 OG SER A 28 4.900 12.641 1.580 1.00 0.00 O ATOM 0 H SER A 28 4.012 10.469 1.918 1.00 0.00 H new ATOM 0 HA SER A 28 6.893 9.946 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.954 12.505 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.189 11.793 0.216 1.00 0.00 H new ATOM 0 HG SER A 28 4.924 13.511 1.129 1.00 0.00 H new ATOM 430 N GLY A 29 7.681 10.843 3.788 1.00 0.00 N ATOM 431 CA GLY A 29 8.104 11.001 5.159 1.00 0.00 C ATOM 432 C GLY A 29 9.611 10.979 5.269 1.00 0.00 C ATOM 433 O GLY A 29 10.300 10.662 4.298 1.00 0.00 O ATOM 0 H GLY A 29 8.440 10.853 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.721 11.942 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.680 10.203 5.768 1.00 0.00 H new ATOM 437 N LEU A 30 10.125 11.321 6.437 1.00 0.00 N ATOM 438 CA LEU A 30 11.563 11.320 6.663 1.00 0.00 C ATOM 439 C LEU A 30 12.002 9.957 7.182 1.00 0.00 C ATOM 440 O LEU A 30 11.180 9.054 7.325 1.00 0.00 O ATOM 441 CB LEU A 30 11.944 12.415 7.662 1.00 0.00 C ATOM 442 CG LEU A 30 11.536 13.834 7.262 1.00 0.00 C ATOM 443 CD1 LEU A 30 11.869 14.815 8.373 1.00 0.00 C ATOM 444 CD2 LEU A 30 12.223 14.241 5.966 1.00 0.00 C ATOM 0 H LEU A 30 9.570 11.603 7.245 1.00 0.00 H new ATOM 0 HA LEU A 30 12.070 11.521 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.488 12.181 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.024 12.392 7.807 1.00 0.00 H new ATOM 0 HG LEU A 30 10.458 13.851 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.572 15.820 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.332 14.534 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.942 14.796 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.921 15.253 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.304 14.209 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.936 13.553 5.171 1.00 0.00 H new ATOM 456 N PHE A 31 13.287 9.798 7.456 1.00 0.00 N ATOM 457 CA PHE A 31 13.780 8.555 8.031 1.00 0.00 C ATOM 458 C PHE A 31 13.233 8.392 9.449 1.00 0.00 C ATOM 459 O PHE A 31 13.130 9.374 10.188 1.00 0.00 O ATOM 460 CB PHE A 31 15.312 8.534 8.040 1.00 0.00 C ATOM 461 CG PHE A 31 15.894 7.228 8.500 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.907 6.127 7.659 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.426 7.101 9.773 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.440 4.925 8.078 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.961 5.899 10.197 1.00 0.00 C ATOM 466 CZ PHE A 31 16.967 4.810 9.349 1.00 0.00 C ATOM 0 H PHE A 31 14.002 10.506 7.292 1.00 0.00 H new ATOM 0 HA PHE A 31 13.435 7.721 7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.676 8.750 7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.674 9.332 8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.495 6.210 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.423 7.950 10.441 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.445 4.075 7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.374 5.812 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.383 3.870 9.679 1.00 0.00 H new ATOM 476 N ASN A 32 12.859 7.159 9.803 1.00 0.00 N ATOM 477 CA ASN A 32 12.314 6.858 11.134 1.00 0.00 C ATOM 478 C ASN A 32 10.955 7.544 11.315 1.00 0.00 C ATOM 479 O ASN A 32 10.539 7.884 12.423 1.00 0.00 O ATOM 480 CB ASN A 32 13.315 7.280 12.227 1.00 0.00 C ATOM 481 CG ASN A 32 12.901 6.862 13.631 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.190 5.872 13.823 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.364 7.607 14.625 1.00 0.00 N ATOM 0 H ASN A 32 12.923 6.350 9.186 1.00 0.00 H new ATOM 0 HA ASN A 32 12.158 5.783 11.225 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.290 6.847 12.001 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.433 8.363 12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.135 7.369 15.590 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.949 8.418 14.425 1.00 0.00 H new ATOM 490 N GLU A 33 10.259 7.730 10.202 1.00 0.00 N ATOM 491 CA GLU A 33 8.930 8.326 10.212 1.00 0.00 C ATOM 492 C GLU A 33 7.882 7.275 10.564 1.00 0.00 C ATOM 493 O GLU A 33 7.726 6.286 9.844 1.00 0.00 O ATOM 494 CB GLU A 33 8.614 8.918 8.837 1.00 0.00 C ATOM 495 CG GLU A 33 7.360 9.774 8.794 1.00 0.00 C ATOM 496 CD GLU A 33 7.564 11.122 9.443 1.00 0.00 C ATOM 497 OE1 GLU A 33 8.356 11.925 8.905 1.00 0.00 O ATOM 498 OE2 GLU A 33 6.935 11.391 10.490 1.00 0.00 O ATOM 0 H GLU A 33 10.596 7.474 9.274 1.00 0.00 H new ATOM 0 HA GLU A 33 8.909 9.117 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.462 9.521 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.508 8.104 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.054 9.915 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.548 9.250 9.297 1.00 0.00 H new ATOM 505 N ALA A 34 7.182 7.482 11.670 1.00 0.00 N ATOM 506 CA ALA A 34 6.084 6.607 12.050 1.00 0.00 C ATOM 507 C ALA A 34 4.820 7.061 11.335 1.00 0.00 C ATOM 508 O ALA A 34 4.301 8.146 11.603 1.00 0.00 O ATOM 509 CB ALA A 34 5.888 6.610 13.559 1.00 0.00 C ATOM 0 H ALA A 34 7.355 8.249 12.320 1.00 0.00 H new ATOM 0 HA ALA A 34 6.316 5.584 11.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.062 5.949 13.820 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.799 6.261 14.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.663 7.622 13.895 1.00 0.00 H new ATOM 515 N TYR A 35 4.336 6.240 10.421 1.00 0.00 N ATOM 516 CA TYR A 35 3.276 6.658 9.516 1.00 0.00 C ATOM 517 C TYR A 35 1.998 5.851 9.713 1.00 0.00 C ATOM 518 O TYR A 35 1.986 4.833 10.408 1.00 0.00 O ATOM 519 CB TYR A 35 3.752 6.528 8.069 1.00 0.00 C ATOM 520 CG TYR A 35 4.025 5.101 7.631 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.189 4.440 8.006 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.114 4.419 6.834 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.432 3.141 7.601 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.350 3.124 6.428 1.00 0.00 C ATOM 525 CZ TYR A 35 4.509 2.488 6.812 1.00 0.00 C ATOM 526 OH TYR A 35 4.745 1.198 6.402 1.00 0.00 O ATOM 0 H TYR A 35 4.658 5.282 10.284 1.00 0.00 H new ATOM 0 HA TYR A 35 3.044 7.699 9.741 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.999 6.961 7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.662 7.115 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.914 4.949 8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.204 4.913 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.340 2.640 7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.628 2.610 5.811 1.00 0.00 H new ATOM 0 HH TYR A 35 4.388 0.573 7.067 1.00 0.00 H new ATOM 536 N ASN A 36 0.929 6.317 9.083 1.00 0.00 N ATOM 537 CA ASN A 36 -0.353 5.635 9.138 1.00 0.00 C ATOM 538 C ASN A 36 -0.727 5.134 7.750 1.00 0.00 C ATOM 539 O ASN A 36 -0.712 5.897 6.783 1.00 0.00 O ATOM 540 CB ASN A 36 -1.448 6.565 9.673 1.00 0.00 C ATOM 541 CG ASN A 36 -1.099 7.166 11.023 1.00 0.00 C ATOM 542 OD1 ASN A 36 -0.562 8.270 11.103 1.00 0.00 O ATOM 543 ND2 ASN A 36 -1.385 6.438 12.091 1.00 0.00 N ATOM 0 H ASN A 36 0.926 7.171 8.525 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.265 4.788 9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.619 7.368 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.382 6.009 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.160 6.788 13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.831 5.527 11.983 1.00 0.00 H new ATOM 550 N VAL A 37 -1.049 3.852 7.654 1.00 0.00 N ATOM 551 CA VAL A 37 -1.372 3.232 6.374 1.00 0.00 C ATOM 552 C VAL A 37 -2.832 3.477 5.995 1.00 0.00 C ATOM 553 O VAL A 37 -3.741 2.999 6.671 1.00 0.00 O ATOM 554 CB VAL A 37 -1.107 1.714 6.412 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.312 1.093 5.040 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.292 1.432 6.931 1.00 0.00 C ATOM 0 H VAL A 37 -1.094 3.217 8.451 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.727 3.690 5.624 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.824 1.258 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.119 0.022 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.339 1.261 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.626 1.550 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.462 0.356 6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.025 1.903 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.394 1.835 7.939 1.00 0.00 H new ATOM 566 N PRO A 38 -3.073 4.233 4.909 1.00 0.00 N ATOM 567 CA PRO A 38 -4.421 4.552 4.445 1.00 0.00 C ATOM 568 C PRO A 38 -5.058 3.402 3.660 1.00 0.00 C ATOM 569 O PRO A 38 -4.463 2.876 2.717 1.00 0.00 O ATOM 570 CB PRO A 38 -4.217 5.773 3.529 1.00 0.00 C ATOM 571 CG PRO A 38 -2.754 6.090 3.569 1.00 0.00 C ATOM 572 CD PRO A 38 -2.059 4.849 4.050 1.00 0.00 C ATOM 0 HA PRO A 38 -5.097 4.739 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.539 5.553 2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.808 6.621 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.393 6.378 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.557 6.928 4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.775 4.196 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.147 5.081 4.600 1.00 0.00 H new ATOM 580 N MET A 39 -6.266 3.017 4.057 1.00 0.00 N ATOM 581 CA MET A 39 -7.003 1.959 3.371 1.00 0.00 C ATOM 582 C MET A 39 -8.112 2.550 2.507 1.00 0.00 C ATOM 583 O MET A 39 -8.614 3.641 2.795 1.00 0.00 O ATOM 584 CB MET A 39 -7.612 0.984 4.383 1.00 0.00 C ATOM 585 CG MET A 39 -6.586 0.235 5.214 1.00 0.00 C ATOM 586 SD MET A 39 -7.349 -0.929 6.364 1.00 0.00 S ATOM 587 CE MET A 39 -5.899 -1.593 7.180 1.00 0.00 C ATOM 0 H MET A 39 -6.758 3.423 4.853 1.00 0.00 H new ATOM 0 HA MET A 39 -6.301 1.421 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.273 1.536 5.051 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.230 0.261 3.849 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.909 -0.304 4.551 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.982 0.950 5.772 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.205 -2.330 7.923 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.252 -2.068 6.443 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.356 -0.786 7.672 1.00 0.00 H new ATOM 597 N LYS A 40 -8.495 1.831 1.459 1.00 0.00 N ATOM 598 CA LYS A 40 -9.571 2.263 0.572 1.00 0.00 C ATOM 599 C LYS A 40 -10.438 1.081 0.175 1.00 0.00 C ATOM 600 O LYS A 40 -9.955 0.115 -0.414 1.00 0.00 O ATOM 601 CB LYS A 40 -9.028 2.919 -0.698 1.00 0.00 C ATOM 602 CG LYS A 40 -8.336 4.248 -0.474 1.00 0.00 C ATOM 603 CD LYS A 40 -8.112 4.961 -1.793 1.00 0.00 C ATOM 604 CE LYS A 40 -7.417 6.301 -1.604 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.034 6.151 -1.080 1.00 0.00 N ATOM 0 H LYS A 40 -8.073 0.939 1.200 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.163 2.995 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.326 2.234 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.852 3.066 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.940 4.872 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.381 4.087 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.512 4.330 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.070 5.116 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.387 6.829 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.999 6.916 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.943 6.673 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.832 5.144 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.357 6.531 -1.772 1.00 0.00 H new ATOM 619 N LYS A 41 -11.720 1.164 0.480 1.00 0.00 N ATOM 620 CA LYS A 41 -12.638 0.093 0.134 1.00 0.00 C ATOM 621 C LYS A 41 -13.394 0.426 -1.139 1.00 0.00 C ATOM 622 O LYS A 41 -14.450 1.058 -1.107 1.00 0.00 O ATOM 623 CB LYS A 41 -13.614 -0.193 1.279 1.00 0.00 C ATOM 624 CG LYS A 41 -12.960 -0.882 2.460 1.00 0.00 C ATOM 625 CD LYS A 41 -13.964 -1.190 3.556 1.00 0.00 C ATOM 626 CE LYS A 41 -13.310 -1.918 4.720 1.00 0.00 C ATOM 627 NZ LYS A 41 -12.704 -3.207 4.294 1.00 0.00 N ATOM 0 H LYS A 41 -12.147 1.955 0.963 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.049 -0.808 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.057 0.745 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.428 -0.816 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.489 -1.807 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.169 -0.248 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.413 -0.262 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.771 -1.800 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.541 -1.283 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.053 -2.104 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.497 -3.787 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.368 -3.716 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.822 -3.021 3.775 1.00 0.00 H new ATOM 641 N ILE A 42 -12.840 -0.006 -2.259 1.00 0.00 N ATOM 642 CA ILE A 42 -13.472 0.189 -3.550 1.00 0.00 C ATOM 643 C ILE A 42 -14.592 -0.824 -3.726 1.00 0.00 C ATOM 644 O ILE A 42 -14.353 -2.026 -3.665 1.00 0.00 O ATOM 645 CB ILE A 42 -12.450 0.047 -4.698 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.308 1.050 -4.508 1.00 0.00 C ATOM 647 CG2 ILE A 42 -13.126 0.249 -6.050 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.193 0.908 -5.520 1.00 0.00 C ATOM 0 H ILE A 42 -11.947 -0.498 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.881 1.199 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.037 -0.962 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.712 2.061 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.894 0.929 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.388 0.145 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.908 -0.499 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.566 1.245 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.423 1.653 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.761 -0.090 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.591 1.059 -6.523 1.00 0.00 H new ATOM 660 N LYS A 43 -15.813 -0.325 -3.906 1.00 0.00 N ATOM 661 CA LYS A 43 -17.006 -1.171 -4.032 1.00 0.00 C ATOM 662 C LYS A 43 -17.253 -1.962 -2.754 1.00 0.00 C ATOM 663 O LYS A 43 -18.031 -2.912 -2.736 1.00 0.00 O ATOM 664 CB LYS A 43 -16.880 -2.133 -5.219 1.00 0.00 C ATOM 665 CG LYS A 43 -16.679 -1.446 -6.558 1.00 0.00 C ATOM 666 CD LYS A 43 -16.349 -2.455 -7.644 1.00 0.00 C ATOM 667 CE LYS A 43 -16.094 -1.784 -8.980 1.00 0.00 C ATOM 668 NZ LYS A 43 -17.322 -1.166 -9.542 1.00 0.00 N ATOM 0 H LYS A 43 -16.007 0.674 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.855 -0.510 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.042 -2.806 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.778 -2.749 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.581 -0.898 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.874 -0.716 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.469 -3.028 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.172 -3.163 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.327 -1.019 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.704 -2.518 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.124 -0.809 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.079 -1.878 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.624 -0.378 -8.934 1.00 0.00 H new ATOM 682 N GLY A 44 -16.613 -1.528 -1.683 1.00 0.00 N ATOM 683 CA GLY A 44 -16.687 -2.242 -0.426 1.00 0.00 C ATOM 684 C GLY A 44 -15.895 -3.537 -0.451 1.00 0.00 C ATOM 685 O GLY A 44 -16.227 -4.485 0.264 1.00 0.00 O ATOM 0 H GLY A 44 -16.038 -0.686 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.311 -1.604 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.730 -2.461 -0.196 1.00 0.00 H new ATOM 689 N TYR A 45 -14.856 -3.574 -1.288 1.00 0.00 N ATOM 690 CA TYR A 45 -13.982 -4.742 -1.418 1.00 0.00 C ATOM 691 C TYR A 45 -13.558 -5.286 -0.061 1.00 0.00 C ATOM 692 O TYR A 45 -13.251 -4.528 0.861 1.00 0.00 O ATOM 693 CB TYR A 45 -12.739 -4.386 -2.233 1.00 0.00 C ATOM 694 CG TYR A 45 -12.776 -4.852 -3.672 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.959 -5.276 -4.270 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.616 -4.873 -4.430 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.975 -5.706 -5.585 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.625 -5.301 -5.739 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.805 -5.715 -6.313 1.00 0.00 C ATOM 700 OH TYR A 45 -12.806 -6.147 -7.617 1.00 0.00 O ATOM 0 H TYR A 45 -14.597 -2.796 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.551 -5.516 -1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.608 -3.304 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.865 -4.819 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.876 -5.269 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.687 -4.547 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.899 -6.033 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.710 -5.312 -6.312 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.917 -6.488 -7.849 1.00 0.00 H new ATOM 710 N THR A 46 -13.531 -6.606 0.046 1.00 0.00 N ATOM 711 CA THR A 46 -13.227 -7.257 1.304 1.00 0.00 C ATOM 712 C THR A 46 -11.731 -7.522 1.410 1.00 0.00 C ATOM 713 O THR A 46 -11.167 -8.245 0.595 1.00 0.00 O ATOM 714 CB THR A 46 -14.010 -8.578 1.438 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.411 -8.326 1.254 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.781 -9.212 2.801 1.00 0.00 C ATOM 0 H THR A 46 -13.717 -7.245 -0.727 1.00 0.00 H new ATOM 0 HA THR A 46 -13.528 -6.594 2.115 1.00 0.00 H new ATOM 0 HB THR A 46 -13.654 -9.269 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.908 -9.166 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.345 -10.142 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.719 -9.421 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.115 -8.528 3.581 1.00 0.00 H new ATOM 724 N LEU A 47 -11.092 -6.917 2.400 1.00 0.00 N ATOM 725 CA LEU A 47 -9.654 -7.058 2.575 1.00 0.00 C ATOM 726 C LEU A 47 -9.305 -8.508 2.862 1.00 0.00 C ATOM 727 O LEU A 47 -9.840 -9.109 3.795 1.00 0.00 O ATOM 728 CB LEU A 47 -9.154 -6.175 3.723 1.00 0.00 C ATOM 729 CG LEU A 47 -7.635 -6.165 3.930 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.933 -5.535 2.740 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.276 -5.427 5.212 1.00 0.00 C ATOM 0 H LEU A 47 -11.546 -6.324 3.094 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.167 -6.741 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.486 -5.152 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.628 -6.507 4.647 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.297 -7.197 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.856 -5.539 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.161 -6.105 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.277 -4.508 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.194 -5.430 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.631 -4.398 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.745 -5.924 6.061 1.00 0.00 H new ATOM 743 N LEU A 48 -8.430 -9.073 2.045 1.00 0.00 N ATOM 744 CA LEU A 48 -7.942 -10.416 2.287 1.00 0.00 C ATOM 745 C LEU A 48 -7.138 -10.410 3.577 1.00 0.00 C ATOM 746 O LEU A 48 -7.501 -11.089 4.541 1.00 0.00 O ATOM 747 CB LEU A 48 -7.080 -10.900 1.114 1.00 0.00 C ATOM 748 CG LEU A 48 -6.571 -12.340 1.226 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.735 -13.321 1.231 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.611 -12.654 0.089 1.00 0.00 C ATOM 0 H LEU A 48 -8.047 -8.623 1.214 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.784 -11.102 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.660 -10.808 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.222 -10.235 1.017 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.034 -12.443 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.353 -14.339 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.385 -13.110 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.302 -13.218 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.259 -13.681 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.125 -12.533 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.761 -11.973 0.132 1.00 0.00 H new ATOM 762 N LYS A 49 -6.080 -9.591 3.565 1.00 0.00 N ATOM 763 CA LYS A 49 -5.192 -9.355 4.708 1.00 0.00 C ATOM 764 C LYS A 49 -3.816 -8.953 4.194 1.00 0.00 C ATOM 765 O LYS A 49 -3.448 -9.294 3.068 1.00 0.00 O ATOM 766 CB LYS A 49 -5.029 -10.593 5.600 1.00 0.00 C ATOM 767 CG LYS A 49 -4.351 -10.295 6.928 1.00 0.00 C ATOM 768 CD LYS A 49 -4.190 -11.548 7.766 1.00 0.00 C ATOM 769 CE LYS A 49 -3.654 -11.227 9.152 1.00 0.00 C ATOM 770 NZ LYS A 49 -3.570 -12.440 10.005 1.00 0.00 N ATOM 0 H LYS A 49 -5.811 -9.060 2.737 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.645 -8.566 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.011 -11.026 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.448 -11.344 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.373 -9.850 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.937 -9.560 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.152 -12.053 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.512 -12.238 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.666 -10.775 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.300 -10.490 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.200 -12.181 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.517 -12.857 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.934 -13.133 9.561 1.00 0.00 H new ATOM 784 N TYR A 50 -3.071 -8.216 4.999 1.00 0.00 N ATOM 785 CA TYR A 50 -1.667 -7.979 4.717 1.00 0.00 C ATOM 786 C TYR A 50 -0.838 -9.045 5.424 1.00 0.00 C ATOM 787 O TYR A 50 -1.114 -9.395 6.572 1.00 0.00 O ATOM 788 CB TYR A 50 -1.242 -6.562 5.135 1.00 0.00 C ATOM 789 CG TYR A 50 -1.674 -6.158 6.530 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.912 -5.570 6.747 1.00 0.00 C ATOM 791 CD2 TYR A 50 -0.841 -6.357 7.622 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.310 -5.190 8.013 1.00 0.00 C ATOM 793 CE2 TYR A 50 -1.230 -5.982 8.892 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.464 -5.400 9.084 1.00 0.00 C ATOM 795 OH TYR A 50 -2.852 -5.022 10.348 1.00 0.00 O ATOM 0 H TYR A 50 -3.414 -7.772 5.851 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.497 -8.047 3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.156 -6.489 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.653 -5.848 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.576 -5.407 5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.127 -6.813 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.276 -4.732 8.165 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.570 -6.144 9.731 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.142 -5.241 10.987 1.00 0.00 H new ATOM 805 N ASP A 51 0.154 -9.581 4.731 1.00 0.00 N ATOM 806 CA ASP A 51 0.896 -10.735 5.228 1.00 0.00 C ATOM 807 C ASP A 51 2.043 -10.316 6.137 1.00 0.00 C ATOM 808 O ASP A 51 2.605 -11.141 6.860 1.00 0.00 O ATOM 809 CB ASP A 51 1.427 -11.573 4.063 1.00 0.00 C ATOM 810 CG ASP A 51 2.526 -10.881 3.279 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.387 -9.677 2.978 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.531 -11.550 2.953 1.00 0.00 O ATOM 0 H ASP A 51 0.466 -9.238 3.823 1.00 0.00 H new ATOM 0 HA ASP A 51 0.206 -11.339 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.806 -12.520 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.603 -11.810 3.389 1.00 0.00 H new ATOM 817 N SER A 52 2.379 -9.043 6.108 1.00 0.00 N ATOM 818 CA SER A 52 3.437 -8.516 6.950 1.00 0.00 C ATOM 819 C SER A 52 2.933 -7.276 7.676 1.00 0.00 C ATOM 820 O SER A 52 2.178 -6.487 7.103 1.00 0.00 O ATOM 821 CB SER A 52 4.666 -8.189 6.096 1.00 0.00 C ATOM 822 OG SER A 52 5.808 -7.943 6.903 1.00 0.00 O ATOM 0 H SER A 52 1.933 -8.350 5.508 1.00 0.00 H new ATOM 0 HA SER A 52 3.726 -9.261 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.870 -9.017 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.460 -7.315 5.479 1.00 0.00 H new ATOM 0 HG SER A 52 6.576 -7.739 6.329 1.00 0.00 H new ATOM 828 N GLU A 53 3.328 -7.121 8.937 1.00 0.00 N ATOM 829 CA GLU A 53 2.882 -5.992 9.744 1.00 0.00 C ATOM 830 C GLU A 53 3.295 -4.667 9.113 1.00 0.00 C ATOM 831 O GLU A 53 4.446 -4.483 8.712 1.00 0.00 O ATOM 832 CB GLU A 53 3.417 -6.104 11.171 1.00 0.00 C ATOM 833 CG GLU A 53 2.831 -7.281 11.935 1.00 0.00 C ATOM 834 CD GLU A 53 3.335 -7.365 13.358 1.00 0.00 C ATOM 835 OE1 GLU A 53 2.818 -6.625 14.221 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.245 -8.174 13.625 1.00 0.00 O ATOM 0 H GLU A 53 3.956 -7.763 9.421 1.00 0.00 H new ATOM 0 HA GLU A 53 1.793 -6.017 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.502 -6.202 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.196 -5.182 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.744 -7.198 11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.076 -8.206 11.412 1.00 0.00 H new ATOM 843 N ILE A 54 2.342 -3.750 9.042 1.00 0.00 N ATOM 844 CA ILE A 54 2.515 -2.506 8.309 1.00 0.00 C ATOM 845 C ILE A 54 2.977 -1.371 9.218 1.00 0.00 C ATOM 846 O ILE A 54 3.476 -0.348 8.744 1.00 0.00 O ATOM 847 CB ILE A 54 1.202 -2.100 7.608 1.00 0.00 C ATOM 848 CG1 ILE A 54 0.057 -2.018 8.626 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.871 -3.093 6.504 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.281 -1.645 8.022 1.00 0.00 C ATOM 0 H ILE A 54 1.430 -3.847 9.489 1.00 0.00 H new ATOM 0 HA ILE A 54 3.288 -2.682 7.561 1.00 0.00 H new ATOM 0 HB ILE A 54 1.331 -1.115 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.039 -2.981 9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.316 -1.285 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.057 -2.798 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.678 -3.106 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.755 -4.088 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.037 -1.608 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.205 -0.668 7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.565 -2.390 7.279 1.00 0.00 H new ATOM 862 N LEU A 55 2.806 -1.550 10.520 1.00 0.00 N ATOM 863 CA LEU A 55 3.206 -0.533 11.479 1.00 0.00 C ATOM 864 C LEU A 55 4.724 -0.499 11.614 1.00 0.00 C ATOM 865 O LEU A 55 5.319 -1.321 12.315 1.00 0.00 O ATOM 866 CB LEU A 55 2.548 -0.783 12.840 1.00 0.00 C ATOM 867 CG LEU A 55 2.779 0.311 13.886 1.00 0.00 C ATOM 868 CD1 LEU A 55 2.246 1.645 13.388 1.00 0.00 C ATOM 869 CD2 LEU A 55 2.122 -0.068 15.204 1.00 0.00 C ATOM 0 H LEU A 55 2.395 -2.386 10.934 1.00 0.00 H new ATOM 0 HA LEU A 55 2.870 0.437 11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.475 -0.900 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.919 -1.728 13.237 1.00 0.00 H new ATOM 0 HG LEU A 55 3.852 0.410 14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.419 2.411 14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.760 1.921 12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.177 1.560 13.195 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.295 0.720 15.937 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.050 -0.194 15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.549 -1.002 15.568 1.00 0.00 H new ATOM 881 N GLY A 56 5.344 0.441 10.919 1.00 0.00 N ATOM 882 CA GLY A 56 6.782 0.574 10.958 1.00 0.00 C ATOM 883 C GLY A 56 7.216 1.994 10.677 1.00 0.00 C ATOM 884 O GLY A 56 6.416 2.925 10.789 1.00 0.00 O ATOM 0 H GLY A 56 4.870 1.120 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.150 0.267 11.937 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.230 -0.096 10.225 1.00 0.00 H new ATOM 888 N VAL A 57 8.476 2.164 10.305 1.00 0.00 N ATOM 889 CA VAL A 57 9.013 3.485 10.017 1.00 0.00 C ATOM 890 C VAL A 57 9.720 3.504 8.667 1.00 0.00 C ATOM 891 O VAL A 57 10.218 2.474 8.204 1.00 0.00 O ATOM 892 CB VAL A 57 9.995 3.958 11.115 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.273 4.144 12.441 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.153 2.979 11.271 1.00 0.00 C ATOM 0 H VAL A 57 9.146 1.403 10.195 1.00 0.00 H new ATOM 0 HA VAL A 57 8.166 4.170 9.992 1.00 0.00 H new ATOM 0 HB VAL A 57 10.403 4.921 10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.983 4.477 13.198 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.488 4.891 12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.830 3.197 12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.828 3.335 12.049 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.766 1.998 11.548 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.694 2.902 10.328 1.00 0.00 H new ATOM 904 N PHE A 58 9.743 4.673 8.034 1.00 0.00 N ATOM 905 CA PHE A 58 10.438 4.853 6.763 1.00 0.00 C ATOM 906 C PHE A 58 11.912 4.484 6.892 1.00 0.00 C ATOM 907 O PHE A 58 12.616 4.975 7.780 1.00 0.00 O ATOM 908 CB PHE A 58 10.313 6.299 6.278 1.00 0.00 C ATOM 909 CG PHE A 58 8.977 6.642 5.677 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.833 6.690 6.454 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.873 6.923 4.327 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.612 7.012 5.895 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.655 7.246 3.763 1.00 0.00 C ATOM 914 CZ PHE A 58 6.522 7.292 4.548 1.00 0.00 C ATOM 0 H PHE A 58 9.285 5.515 8.383 1.00 0.00 H new ATOM 0 HA PHE A 58 9.971 4.191 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.502 6.968 7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.090 6.489 5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.896 6.473 7.510 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.756 6.889 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.727 7.045 6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.589 7.463 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.568 7.546 4.109 1.00 0.00 H new ATOM 924 N THR A 59 12.365 3.616 6.003 1.00 0.00 N ATOM 925 CA THR A 59 13.738 3.147 6.009 1.00 0.00 C ATOM 926 C THR A 59 14.456 3.652 4.752 1.00 0.00 C ATOM 927 O THR A 59 13.844 4.322 3.925 1.00 0.00 O ATOM 928 CB THR A 59 13.766 1.606 6.062 1.00 0.00 C ATOM 929 OG1 THR A 59 12.559 1.131 6.681 1.00 0.00 O ATOM 930 CG2 THR A 59 14.963 1.103 6.856 1.00 0.00 C ATOM 0 H THR A 59 11.792 3.218 5.259 1.00 0.00 H new ATOM 0 HA THR A 59 14.251 3.534 6.890 1.00 0.00 H new ATOM 0 HB THR A 59 13.845 1.230 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.572 0.152 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.955 0.013 6.875 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.883 1.451 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.909 1.484 7.876 1.00 0.00 H new ATOM 938 N GLU A 60 15.737 3.331 4.603 1.00 0.00 N ATOM 939 CA GLU A 60 16.510 3.779 3.443 1.00 0.00 C ATOM 940 C GLU A 60 16.255 2.880 2.236 1.00 0.00 C ATOM 941 O GLU A 60 16.917 2.998 1.205 1.00 0.00 O ATOM 942 CB GLU A 60 18.002 3.791 3.773 1.00 0.00 C ATOM 943 CG GLU A 60 18.361 4.681 4.950 1.00 0.00 C ATOM 944 CD GLU A 60 19.846 4.680 5.237 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.379 3.617 5.621 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.489 5.738 5.074 1.00 0.00 O ATOM 0 H GLU A 60 16.264 2.764 5.267 1.00 0.00 H new ATOM 0 HA GLU A 60 16.189 4.791 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.326 2.772 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.556 4.124 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.033 5.700 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.822 4.344 5.835 1.00 0.00 H new ATOM 953 N SER A 61 15.300 1.982 2.376 1.00 0.00 N ATOM 954 CA SER A 61 14.903 1.111 1.291 1.00 0.00 C ATOM 955 C SER A 61 13.425 1.310 0.980 1.00 0.00 C ATOM 956 O SER A 61 12.591 1.327 1.891 1.00 0.00 O ATOM 957 CB SER A 61 15.199 -0.344 1.657 1.00 0.00 C ATOM 958 OG SER A 61 15.025 -0.561 3.049 1.00 0.00 O ATOM 0 H SER A 61 14.780 1.837 3.242 1.00 0.00 H new ATOM 0 HA SER A 61 15.475 1.360 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.539 -1.006 1.096 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.220 -0.595 1.371 1.00 0.00 H new ATOM 0 HG SER A 61 15.218 -1.498 3.261 1.00 0.00 H new ATOM 964 N PRO A 62 13.083 1.499 -0.303 1.00 0.00 N ATOM 965 CA PRO A 62 11.701 1.716 -0.729 1.00 0.00 C ATOM 966 C PRO A 62 10.804 0.544 -0.353 1.00 0.00 C ATOM 967 O PRO A 62 10.951 -0.561 -0.880 1.00 0.00 O ATOM 968 CB PRO A 62 11.797 1.849 -2.254 1.00 0.00 C ATOM 969 CG PRO A 62 13.222 2.184 -2.526 1.00 0.00 C ATOM 970 CD PRO A 62 14.017 1.518 -1.439 1.00 0.00 C ATOM 0 HA PRO A 62 11.261 2.590 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.509 0.922 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.131 2.629 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.527 1.825 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.378 3.263 -2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.325 0.512 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.924 2.075 -1.205 1.00 0.00 H new ATOM 978 N GLN A 63 9.882 0.783 0.563 1.00 0.00 N ATOM 979 CA GLN A 63 9.001 -0.266 1.039 1.00 0.00 C ATOM 980 C GLN A 63 7.637 -0.143 0.380 1.00 0.00 C ATOM 981 O GLN A 63 7.142 0.963 0.150 1.00 0.00 O ATOM 982 CB GLN A 63 8.862 -0.198 2.561 1.00 0.00 C ATOM 983 CG GLN A 63 8.103 -1.374 3.158 1.00 0.00 C ATOM 984 CD GLN A 63 7.986 -1.300 4.668 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.965 -0.687 5.315 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 7.027 -1.801 5.250 1.00 0.00 N flip ATOM 0 H GLN A 63 9.725 1.695 0.992 1.00 0.00 H new ATOM 0 HA GLN A 63 9.434 -1.231 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.856 -0.154 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.352 0.727 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.104 -1.413 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.606 -2.301 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.292 -2.265 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.966 -1.753 6.267 1.00 0.00 H new ATOM 995 N THR A 64 7.039 -1.276 0.060 1.00 0.00 N ATOM 996 CA THR A 64 5.730 -1.290 -0.553 1.00 0.00 C ATOM 997 C THR A 64 4.771 -2.160 0.258 1.00 0.00 C ATOM 998 O THR A 64 5.104 -3.281 0.650 1.00 0.00 O ATOM 999 CB THR A 64 5.793 -1.767 -2.023 1.00 0.00 C ATOM 1000 OG1 THR A 64 4.495 -1.698 -2.616 1.00 0.00 O ATOM 1001 CG2 THR A 64 6.334 -3.188 -2.134 1.00 0.00 C ATOM 0 H THR A 64 7.443 -2.199 0.216 1.00 0.00 H new ATOM 0 HA THR A 64 5.354 -0.267 -0.558 1.00 0.00 H new ATOM 0 HB THR A 64 6.477 -1.105 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.997 -0.949 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.362 -3.486 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.341 -3.228 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.686 -3.868 -1.581 1.00 0.00 H new ATOM 1009 N ILE A 65 3.595 -1.621 0.533 1.00 0.00 N ATOM 1010 CA ILE A 65 2.597 -2.329 1.315 1.00 0.00 C ATOM 1011 C ILE A 65 1.554 -2.948 0.400 1.00 0.00 C ATOM 1012 O ILE A 65 0.811 -2.237 -0.276 1.00 0.00 O ATOM 1013 CB ILE A 65 1.900 -1.393 2.324 1.00 0.00 C ATOM 1014 CG1 ILE A 65 2.931 -0.783 3.276 1.00 0.00 C ATOM 1015 CG2 ILE A 65 0.830 -2.147 3.105 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.341 0.195 4.267 1.00 0.00 C ATOM 0 H ILE A 65 3.308 -0.692 0.225 1.00 0.00 H new ATOM 0 HA ILE A 65 3.112 -3.113 1.871 1.00 0.00 H new ATOM 0 HB ILE A 65 1.414 -0.587 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.427 -1.585 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.697 -0.275 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.350 -1.470 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.084 -2.539 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.290 -2.972 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.132 0.585 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.870 1.018 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.596 -0.312 4.879 1.00 0.00 H new ATOM 1028 N ASN A 66 1.516 -4.267 0.370 1.00 0.00 N ATOM 1029 CA ASN A 66 0.565 -4.983 -0.463 1.00 0.00 C ATOM 1030 C ASN A 66 -0.760 -5.160 0.264 1.00 0.00 C ATOM 1031 O ASN A 66 -0.930 -6.087 1.056 1.00 0.00 O ATOM 1032 CB ASN A 66 1.126 -6.348 -0.871 1.00 0.00 C ATOM 1033 CG ASN A 66 2.230 -6.241 -1.906 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.210 -5.363 -2.772 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.210 -7.128 -1.821 1.00 0.00 N ATOM 0 H ASN A 66 2.135 -4.867 0.915 1.00 0.00 H new ATOM 0 HA ASN A 66 0.393 -4.392 -1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.510 -6.857 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.319 -6.964 -1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.983 -7.099 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.192 -7.840 -1.091 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.683 -4.247 0.013 1.00 0.00 N ATOM 1043 CA ILE A 67 -3.012 -4.330 0.590 1.00 0.00 C ATOM 1044 C ILE A 67 -3.948 -5.002 -0.403 1.00 0.00 C ATOM 1045 O ILE A 67 -4.423 -4.380 -1.354 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.557 -2.939 0.981 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.631 -2.275 2.004 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.965 -3.054 1.542 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -3.139 -0.942 2.513 1.00 0.00 C ATOM 0 H ILE A 67 -1.534 -3.437 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.952 -4.921 1.504 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.593 -2.319 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.497 -2.949 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.650 -2.131 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.331 -2.063 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.622 -3.491 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.953 -3.690 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.430 -0.533 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.246 -0.250 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.107 -1.081 2.995 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.181 -6.287 -0.192 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.948 -7.090 -1.127 1.00 0.00 C ATOM 1063 C ILE A 68 -6.426 -7.112 -0.764 1.00 0.00 C ATOM 1064 O ILE A 68 -6.820 -7.632 0.284 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.404 -8.533 -1.183 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.926 -8.514 -1.583 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.216 -9.380 -2.157 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.271 -9.877 -1.567 1.00 0.00 C ATOM 0 H ILE A 68 -3.847 -6.798 0.625 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.843 -6.630 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.496 -8.982 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.835 -8.090 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.385 -7.853 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.815 -10.393 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.257 -9.409 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.158 -8.944 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.226 -9.782 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.328 -10.296 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.786 -10.536 -2.266 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.235 -6.534 -1.632 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.676 -6.559 -1.479 1.00 0.00 C ATOM 1082 C TYR A 69 -9.268 -7.634 -2.373 1.00 0.00 C ATOM 1083 O TYR A 69 -8.970 -7.703 -3.562 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.285 -5.199 -1.818 1.00 0.00 C ATOM 1085 CG TYR A 69 -9.125 -4.170 -0.724 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.996 -4.147 0.359 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.111 -3.224 -0.770 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.861 -3.212 1.364 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.970 -2.284 0.233 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.848 -2.283 1.299 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.714 -1.349 2.300 1.00 0.00 O ATOM 0 H TYR A 69 -6.912 -6.035 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.910 -6.785 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.822 -4.821 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.346 -5.329 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.793 -4.874 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.422 -3.222 -1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.547 -3.209 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.176 -1.553 0.183 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.038 -1.726 3.145 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.101 -8.476 -1.791 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.681 -9.587 -2.512 1.00 0.00 C ATOM 1103 C GLN A 70 -12.008 -9.178 -3.138 1.00 0.00 C ATOM 1104 O GLN A 70 -12.805 -8.448 -2.527 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.878 -10.776 -1.568 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.221 -12.073 -2.279 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.286 -13.253 -1.334 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.657 -13.112 -0.167 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -10.914 -14.420 -1.828 1.00 0.00 N ATOM 0 H GLN A 70 -10.391 -8.409 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.001 -9.882 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.967 -10.921 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.673 -10.539 -0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.180 -11.963 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.475 -12.269 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.614 -14.490 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.927 -15.251 -1.237 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.224 -9.643 -4.363 1.00 0.00 N ATOM 1119 CA LYS A 71 -13.435 -9.339 -5.103 1.00 0.00 C ATOM 1120 C LYS A 71 -14.650 -9.974 -4.437 1.00 0.00 C ATOM 1121 O LYS A 71 -14.816 -11.197 -4.438 1.00 0.00 O ATOM 1122 CB LYS A 71 -13.305 -9.816 -6.554 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.564 -9.624 -7.383 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.338 -10.017 -8.834 1.00 0.00 C ATOM 1125 CE LYS A 71 -15.624 -9.948 -9.642 1.00 0.00 C ATOM 1126 NZ LYS A 71 -16.565 -11.049 -9.298 1.00 0.00 N ATOM 0 H LYS A 71 -11.566 -10.238 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.576 -8.258 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.484 -9.280 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.039 -10.873 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.372 -10.223 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.880 -8.582 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.593 -9.357 -9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.934 -11.028 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.110 -8.989 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.386 -9.995 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.381 -11.022 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.079 -11.963 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.893 -10.932 -8.318 1.00 0.00 H new ATOM 1140 N LYS A 72 -15.474 -9.129 -3.844 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.709 -9.565 -3.217 1.00 0.00 C ATOM 1142 C LYS A 72 -17.699 -10.030 -4.278 1.00 0.00 C ATOM 1143 O LYS A 72 -17.808 -9.422 -5.345 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.297 -8.420 -2.389 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.511 -7.145 -3.190 1.00 0.00 C ATOM 1146 CD LYS A 72 -17.551 -5.916 -2.298 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.784 -5.878 -1.409 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.034 -5.729 -2.197 1.00 0.00 N ATOM 0 H LYS A 72 -15.307 -8.125 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.502 -10.405 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.250 -8.739 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.632 -8.207 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.710 -7.037 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -18.444 -7.219 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.657 -5.895 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.528 -5.020 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.834 -6.793 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.698 -5.050 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.820 -5.488 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.913 -4.972 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.246 -6.623 -2.684 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.396 -11.116 -3.994 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.351 -11.671 -4.935 1.00 0.00 C ATOM 1164 C ALA A 73 -20.690 -10.961 -4.812 1.00 0.00 C ATOM 1165 O ALA A 73 -21.074 -10.544 -3.716 1.00 0.00 O ATOM 1166 CB ALA A 73 -19.516 -13.165 -4.700 1.00 0.00 C ATOM 0 H ALA A 73 -18.318 -11.631 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.973 -11.519 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -20.235 -13.568 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.555 -13.663 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.876 -13.336 -3.685 1.00 0.00 H new ATOM 1172 N PRO A 74 -21.402 -10.785 -5.936 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.727 -10.168 -5.935 1.00 0.00 C ATOM 1174 C PRO A 74 -23.678 -10.896 -4.995 1.00 0.00 C ATOM 1175 O PRO A 74 -23.843 -12.115 -5.088 1.00 0.00 O ATOM 1176 CB PRO A 74 -23.196 -10.310 -7.387 1.00 0.00 C ATOM 1177 CG PRO A 74 -21.945 -10.445 -8.180 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.971 -11.169 -7.291 1.00 0.00 C ATOM 0 HA PRO A 74 -22.702 -9.134 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -23.839 -11.181 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -23.773 -9.441 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -22.123 -11.002 -9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -21.558 -9.468 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -21.018 -12.248 -7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -19.943 -10.865 -7.488 1.00 0.00 H new ATOM 1186 N GLU A 75 -24.282 -10.149 -4.080 1.00 0.00 N ATOM 1187 CA GLU A 75 -25.209 -10.724 -3.118 1.00 0.00 C ATOM 1188 C GLU A 75 -26.453 -11.241 -3.821 1.00 0.00 C ATOM 1189 O GLU A 75 -26.686 -10.938 -4.990 1.00 0.00 O ATOM 1190 CB GLU A 75 -25.609 -9.686 -2.071 1.00 0.00 C ATOM 1191 CG GLU A 75 -24.451 -9.191 -1.227 1.00 0.00 C ATOM 1192 CD GLU A 75 -24.872 -8.127 -0.237 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -25.266 -8.479 0.894 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -24.809 -6.932 -0.583 1.00 0.00 O ATOM 0 H GLU A 75 -24.145 -9.143 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 75 -24.708 -11.555 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -26.070 -8.836 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -26.366 -10.117 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.012 -10.031 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -23.675 -8.790 -1.879 1.00 0.00 H new ATOM 1201 N GLN A 76 -27.266 -11.994 -3.095 1.00 0.00 N ATOM 1202 CA GLN A 76 -28.499 -12.546 -3.647 1.00 0.00 C ATOM 1203 C GLN A 76 -29.498 -11.433 -3.965 1.00 0.00 C ATOM 1204 O GLN A 76 -30.516 -11.660 -4.619 1.00 0.00 O ATOM 1205 CB GLN A 76 -29.113 -13.541 -2.665 1.00 0.00 C ATOM 1206 CG GLN A 76 -28.155 -14.649 -2.253 1.00 0.00 C ATOM 1207 CD GLN A 76 -28.784 -15.630 -1.285 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -29.671 -15.274 -0.512 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -28.323 -16.870 -1.312 1.00 0.00 N ATOM 0 H GLN A 76 -27.095 -12.238 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.259 -13.065 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -29.443 -13.006 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -30.000 -13.986 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -27.820 -15.184 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -27.270 -14.208 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -27.586 -17.126 -1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -28.705 -17.570 -0.676 1.00 0.00 H new ATOM 1218 N ALA A 77 -29.197 -10.230 -3.491 1.00 0.00 N ATOM 1219 CA ALA A 77 -30.019 -9.064 -3.772 1.00 0.00 C ATOM 1220 C ALA A 77 -29.608 -8.422 -5.095 1.00 0.00 C ATOM 1221 O ALA A 77 -30.276 -7.514 -5.592 1.00 0.00 O ATOM 1222 CB ALA A 77 -29.909 -8.061 -2.635 1.00 0.00 C ATOM 0 H ALA A 77 -28.383 -10.038 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 77 -31.058 -9.383 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -30.528 -7.192 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -30.249 -8.523 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -28.871 -7.748 -2.525 1.00 0.00 H new ATOM 1228 N LEU A 78 -28.511 -8.899 -5.663 1.00 0.00 N ATOM 1229 CA LEU A 78 -28.009 -8.371 -6.920 1.00 0.00 C ATOM 1230 C LEU A 78 -28.085 -9.440 -8.003 1.00 0.00 C ATOM 1231 O LEU A 78 -27.558 -10.540 -7.843 1.00 0.00 O ATOM 1232 CB LEU A 78 -26.569 -7.877 -6.758 1.00 0.00 C ATOM 1233 CG LEU A 78 -25.968 -7.200 -7.995 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -26.771 -5.964 -8.371 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -24.513 -6.836 -7.749 1.00 0.00 C ATOM 0 H LEU A 78 -27.950 -9.655 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 78 -28.630 -7.526 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -26.535 -7.174 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -25.940 -8.724 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 78 -26.011 -7.903 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -26.329 -5.497 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -27.799 -6.251 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -26.761 -5.257 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -24.103 -6.356 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -24.447 -6.151 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -23.944 -7.739 -7.529 1.00 0.00 H new ATOM 1247 N GLU A 79 -28.755 -9.110 -9.094 1.00 0.00 N ATOM 1248 CA GLU A 79 -28.932 -10.040 -10.197 1.00 0.00 C ATOM 1249 C GLU A 79 -28.073 -9.650 -11.393 1.00 0.00 C ATOM 1250 O GLU A 79 -27.587 -8.520 -11.483 1.00 0.00 O ATOM 1251 CB GLU A 79 -30.402 -10.084 -10.613 1.00 0.00 C ATOM 1252 CG GLU A 79 -31.281 -10.893 -9.678 1.00 0.00 C ATOM 1253 CD GLU A 79 -30.968 -12.373 -9.732 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -31.125 -12.977 -10.815 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -30.580 -12.946 -8.694 1.00 0.00 O ATOM 0 H GLU A 79 -29.188 -8.198 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 79 -28.618 -11.027 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -30.785 -9.065 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -30.473 -10.503 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -31.150 -10.533 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -32.327 -10.735 -9.939 1.00 0.00 H new ATOM 1262 N HIS A 80 -27.899 -10.595 -12.306 1.00 0.00 N ATOM 1263 CA HIS A 80 -27.170 -10.354 -13.545 1.00 0.00 C ATOM 1264 C HIS A 80 -28.031 -9.531 -14.500 1.00 0.00 C ATOM 1265 O HIS A 80 -27.544 -8.622 -15.173 1.00 0.00 O ATOM 1266 CB HIS A 80 -26.776 -11.692 -14.187 1.00 0.00 C ATOM 1267 CG HIS A 80 -26.220 -11.571 -15.575 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -26.904 -11.996 -16.692 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -25.041 -11.077 -16.023 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -26.174 -11.767 -17.767 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -25.038 -11.210 -17.389 1.00 0.00 N ATOM 0 H HIS A 80 -28.257 -11.546 -12.211 1.00 0.00 H new ATOM 0 HA HIS A 80 -26.261 -9.794 -13.327 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -26.036 -12.182 -13.553 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -27.652 -12.340 -14.214 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -24.251 -10.657 -15.418 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -26.458 -11.996 -18.784 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.281 -10.925 -18.011 1.00 0.00 H new ATOM 1280 N HIS A 81 -29.311 -9.861 -14.544 1.00 0.00 N ATOM 1281 CA HIS A 81 -30.267 -9.139 -15.363 1.00 0.00 C ATOM 1282 C HIS A 81 -31.503 -8.835 -14.531 1.00 0.00 C ATOM 1283 O HIS A 81 -31.869 -9.617 -13.655 1.00 0.00 O ATOM 1284 CB HIS A 81 -30.641 -9.962 -16.598 1.00 0.00 C ATOM 1285 CG HIS A 81 -31.399 -9.190 -17.631 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -30.796 -8.298 -18.487 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -32.716 -9.170 -17.936 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -31.707 -7.761 -19.273 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -32.882 -8.274 -18.961 1.00 0.00 N ATOM 0 H HIS A 81 -29.714 -10.634 -14.015 1.00 0.00 H new ATOM 0 HA HIS A 81 -29.821 -8.204 -15.704 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -29.731 -10.358 -17.049 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -31.240 -10.818 -16.285 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -33.493 -9.751 -17.461 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -31.523 -7.026 -20.042 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -33.769 -8.042 -19.409 1.00 0.00 H new ATOM 1298 N HIS A 82 -32.136 -7.704 -14.779 1.00 0.00 N ATOM 1299 CA HIS A 82 -33.279 -7.302 -13.982 1.00 0.00 C ATOM 1300 C HIS A 82 -34.543 -7.298 -14.825 1.00 0.00 C ATOM 1301 O HIS A 82 -34.485 -7.318 -16.050 1.00 0.00 O ATOM 1302 CB HIS A 82 -33.048 -5.914 -13.377 1.00 0.00 C ATOM 1303 CG HIS A 82 -31.797 -5.811 -12.559 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -31.682 -6.332 -11.290 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -30.597 -5.250 -12.843 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -30.469 -6.095 -10.826 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -29.792 -5.440 -11.749 1.00 0.00 N ATOM 0 H HIS A 82 -31.881 -7.052 -15.520 1.00 0.00 H new ATOM 0 HA HIS A 82 -33.401 -8.022 -13.173 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -33.006 -5.180 -14.181 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -33.902 -5.654 -12.752 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -30.325 -4.747 -13.759 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -30.095 -6.388 -9.856 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -28.826 -5.125 -11.663 1.00 0.00 H new ATOM 1316 N HIS A 83 -35.686 -7.277 -14.162 1.00 0.00 N ATOM 1317 CA HIS A 83 -36.962 -7.186 -14.853 1.00 0.00 C ATOM 1318 C HIS A 83 -37.268 -5.735 -15.189 1.00 0.00 C ATOM 1319 O HIS A 83 -38.080 -5.444 -16.066 1.00 0.00 O ATOM 1320 CB HIS A 83 -38.085 -7.791 -14.006 1.00 0.00 C ATOM 1321 CG HIS A 83 -38.111 -9.287 -14.040 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -37.623 -10.082 -13.024 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -38.562 -10.135 -14.994 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -37.770 -11.351 -13.356 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -38.337 -11.412 -14.548 1.00 0.00 N ATOM 0 H HIS A 83 -35.758 -7.322 -13.145 1.00 0.00 H new ATOM 0 HA HIS A 83 -36.897 -7.756 -15.780 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -37.971 -7.460 -12.974 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -39.043 -7.410 -14.359 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -39.016 -9.857 -15.934 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -37.476 -12.198 -12.754 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -38.569 -12.267 -15.053 1.00 0.00 H new ATOM 1334 N HIS A 84 -36.603 -4.827 -14.488 1.00 0.00 N ATOM 1335 CA HIS A 84 -36.748 -3.402 -14.756 1.00 0.00 C ATOM 1336 C HIS A 84 -35.610 -2.898 -15.635 1.00 0.00 C ATOM 1337 O HIS A 84 -35.638 -1.766 -16.110 1.00 0.00 O ATOM 1338 CB HIS A 84 -36.796 -2.603 -13.451 1.00 0.00 C ATOM 1339 CG HIS A 84 -38.079 -2.764 -12.696 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -39.226 -2.077 -13.017 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -38.396 -3.545 -11.638 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -40.193 -2.423 -12.190 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -39.717 -3.315 -11.343 1.00 0.00 N ATOM 0 H HIS A 84 -35.958 -5.051 -13.730 1.00 0.00 H new ATOM 0 HA HIS A 84 -37.689 -3.257 -15.287 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -35.968 -2.914 -12.814 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -36.646 -1.547 -13.676 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -37.733 -4.223 -11.121 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -41.203 -2.041 -12.204 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -40.244 -3.761 -10.592 1.00 0.00 H new ATOM 1352 N HIS A 85 -34.615 -3.748 -15.857 1.00 0.00 N ATOM 1353 CA HIS A 85 -33.462 -3.388 -16.673 1.00 0.00 C ATOM 1354 C HIS A 85 -32.764 -4.637 -17.183 1.00 0.00 C ATOM 1355 O HIS A 85 -32.139 -5.342 -16.363 1.00 0.00 O ATOM 1356 CB HIS A 85 -32.474 -2.525 -15.883 1.00 0.00 C ATOM 1357 CG HIS A 85 -32.358 -1.125 -16.404 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -31.328 -0.705 -17.215 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -33.160 -0.050 -16.233 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -31.503 0.565 -17.522 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -32.609 0.990 -16.939 1.00 0.00 N ATOM 1362 OXT HIS A 85 -32.841 -4.904 -18.396 1.00 0.00 O ATOM 0 H HIS A 85 -34.584 -4.696 -15.481 1.00 0.00 H new ATOM 0 HA HIS A 85 -33.822 -2.808 -17.522 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -32.786 -2.492 -14.839 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -31.491 -2.996 -15.907 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -34.067 -0.016 -15.648 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -30.851 1.158 -18.146 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -32.990 1.934 -17.003 1.00 0.00 H new TER 1371 HIS A 85