USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 GLN : amide:sc=-0.00128 X(o=-0.0013,f=-0.39) USER MOD Single : A 10 ASN : amide:sc= -7.12! C(o=-7.1!,f=-14!) USER MOD Single : A 11 THR OG1 : rot -165:sc= -6.28! USER MOD Single : A 14 HIS : no HD1:sc= -15.9! C(o=-16!,f=-13!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 43 TYR OH : rot 30:sc= -0.787 USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.0749 (180deg=-0.0983) USER MOD Single : A 56 GLN : amide:sc= -0.843 K(o=-0.84,f=-7.9!) USER MOD Single : A 58 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 62 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.022) USER MOD Single : A 63 ASN : amide:sc= -7.64! C(o=-7.6!,f=-14!) USER MOD Single : A 64 GLN : amide:sc= -11! C(o=-11!,f=-22!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -99:sc= 0.511 USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 0.469 (180deg=0.0384) USER MOD Single : A 84 THR OG1 : rot 43:sc= 1.25 USER MOD Single : A 91 THR OG1 : rot 160:sc= -2.77! USER MOD Single : A 92 THR OG1 : rot 120:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 5 3.544 31.808 -11.017 1.00 0.00 N ATOM 56 CA GLN A 5 2.057 31.844 -11.125 1.00 0.00 C ATOM 57 C GLN A 5 1.431 32.375 -9.829 1.00 0.00 C ATOM 58 O GLN A 5 1.797 31.980 -8.741 1.00 0.00 O ATOM 59 CB GLN A 5 1.643 30.389 -11.358 1.00 0.00 C ATOM 60 CG GLN A 5 1.444 30.144 -12.856 1.00 0.00 C ATOM 61 CD GLN A 5 -0.010 29.741 -13.121 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.900 30.567 -13.072 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.291 28.497 -13.405 1.00 0.00 N ATOM 0 HA GLN A 5 1.723 32.503 -11.927 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.407 29.716 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.721 30.172 -10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.691 31.045 -13.418 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.118 29.359 -13.199 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.455 27.802 -13.447 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.256 28.220 -13.585 1.00 0.00 H new ATOM 72 N VAL A 6 0.478 33.261 -9.942 1.00 0.00 N ATOM 73 CA VAL A 6 -0.185 33.806 -8.721 1.00 0.00 C ATOM 74 C VAL A 6 -1.134 32.748 -8.146 1.00 0.00 C ATOM 75 O VAL A 6 -0.779 31.594 -8.022 1.00 0.00 O ATOM 76 CB VAL A 6 -0.967 35.033 -9.199 1.00 0.00 C ATOM 77 CG1 VAL A 6 -0.004 36.049 -9.813 1.00 0.00 C ATOM 78 CG2 VAL A 6 -2.002 34.613 -10.251 1.00 0.00 C ATOM 0 H VAL A 6 0.130 33.631 -10.826 1.00 0.00 H new ATOM 0 HA VAL A 6 0.526 34.070 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.478 35.483 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.563 36.921 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.727 36.355 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.511 35.596 -10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.555 35.490 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.493 34.157 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.694 33.893 -9.814 1.00 0.00 H new ATOM 88 N VAL A 7 -2.339 33.121 -7.807 1.00 0.00 N ATOM 89 CA VAL A 7 -3.298 32.119 -7.263 1.00 0.00 C ATOM 90 C VAL A 7 -4.347 31.782 -8.326 1.00 0.00 C ATOM 91 O VAL A 7 -4.657 32.589 -9.180 1.00 0.00 O ATOM 92 CB VAL A 7 -3.955 32.791 -6.060 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.802 31.762 -5.307 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.873 33.340 -5.127 1.00 0.00 C ATOM 0 H VAL A 7 -2.699 34.072 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.806 31.188 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.589 33.610 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.273 32.238 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.572 31.369 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.165 30.946 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.342 33.820 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.239 32.522 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.266 34.069 -5.663 1.00 0.00 H new ATOM 104 N LEU A 8 -4.891 30.599 -8.286 1.00 0.00 N ATOM 105 CA LEU A 8 -5.915 30.218 -9.301 1.00 0.00 C ATOM 106 C LEU A 8 -7.315 30.269 -8.686 1.00 0.00 C ATOM 107 O LEU A 8 -7.470 30.187 -7.484 1.00 0.00 O ATOM 108 CB LEU A 8 -5.554 28.789 -9.708 1.00 0.00 C ATOM 109 CG LEU A 8 -4.615 28.817 -10.918 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.526 29.872 -10.702 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.963 27.443 -11.085 1.00 0.00 C ATOM 0 H LEU A 8 -4.673 29.880 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.923 30.894 -10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.075 28.274 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.458 28.230 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.186 29.065 -11.813 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.860 29.889 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.988 30.852 -10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.954 29.627 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.294 27.460 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.394 27.199 -10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.736 26.690 -11.241 1.00 0.00 H new ATOM 123 N PRO A 9 -8.291 30.406 -9.541 1.00 0.00 N ATOM 124 CA PRO A 9 -9.700 30.472 -9.084 1.00 0.00 C ATOM 125 C PRO A 9 -10.190 29.086 -8.655 1.00 0.00 C ATOM 126 O PRO A 9 -10.754 28.919 -7.592 1.00 0.00 O ATOM 127 CB PRO A 9 -10.453 30.959 -10.320 1.00 0.00 C ATOM 128 CG PRO A 9 -9.602 30.555 -11.482 1.00 0.00 C ATOM 129 CD PRO A 9 -8.174 30.510 -10.999 1.00 0.00 C ATOM 0 HA PRO A 9 -9.841 31.122 -8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.443 30.507 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.596 32.039 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.909 29.581 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.708 31.266 -12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.639 29.658 -11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.626 31.406 -11.292 1.00 0.00 H new ATOM 137 N ASN A 10 -9.980 28.093 -9.474 1.00 0.00 N ATOM 138 CA ASN A 10 -10.437 26.720 -9.111 1.00 0.00 C ATOM 139 C ASN A 10 -9.745 25.677 -9.988 1.00 0.00 C ATOM 140 O ASN A 10 -10.273 24.612 -10.236 1.00 0.00 O ATOM 141 CB ASN A 10 -11.945 26.717 -9.378 1.00 0.00 C ATOM 142 CG ASN A 10 -12.242 27.434 -10.698 1.00 0.00 C ATOM 143 OD1 ASN A 10 -11.342 27.742 -11.452 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.479 27.713 -11.011 1.00 0.00 N ATOM 0 H ASN A 10 -9.513 28.171 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.201 26.474 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.314 25.692 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.469 27.211 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.688 28.189 -11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.236 27.455 -10.378 1.00 0.00 H new ATOM 151 N THR A 11 -8.570 25.971 -10.469 1.00 0.00 N ATOM 152 CA THR A 11 -7.867 24.988 -11.339 1.00 0.00 C ATOM 153 C THR A 11 -6.731 24.296 -10.583 1.00 0.00 C ATOM 154 O THR A 11 -6.138 24.849 -9.677 1.00 0.00 O ATOM 155 CB THR A 11 -7.308 25.818 -12.496 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.195 26.575 -12.039 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.391 26.763 -13.019 1.00 0.00 C ATOM 0 H THR A 11 -8.069 26.843 -10.299 1.00 0.00 H new ATOM 0 HA THR A 11 -8.537 24.198 -11.678 1.00 0.00 H new ATOM 0 HB THR A 11 -6.991 25.154 -13.300 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.984 27.274 -12.693 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.991 27.354 -13.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.243 26.181 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.711 27.429 -12.217 1.00 0.00 H new ATOM 165 N ALA A 12 -6.420 23.090 -10.967 1.00 0.00 N ATOM 166 CA ALA A 12 -5.315 22.349 -10.299 1.00 0.00 C ATOM 167 C ALA A 12 -4.405 21.750 -11.365 1.00 0.00 C ATOM 168 O ALA A 12 -4.760 21.687 -12.521 1.00 0.00 O ATOM 169 CB ALA A 12 -5.993 21.243 -9.491 1.00 0.00 C ATOM 0 H ALA A 12 -6.887 22.583 -11.719 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.707 22.988 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.236 20.656 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.671 21.688 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.557 20.595 -10.162 1.00 0.00 H new ATOM 175 N LEU A 13 -3.237 21.314 -11.004 1.00 0.00 N ATOM 176 CA LEU A 13 -2.337 20.729 -12.036 1.00 0.00 C ATOM 177 C LEU A 13 -1.726 19.416 -11.533 1.00 0.00 C ATOM 178 O LEU A 13 -1.577 19.203 -10.345 1.00 0.00 O ATOM 179 CB LEU A 13 -1.285 21.827 -12.303 1.00 0.00 C ATOM 180 CG LEU A 13 0.107 21.416 -11.811 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.157 22.321 -12.460 1.00 0.00 C ATOM 182 CD2 LEU A 13 0.175 21.573 -10.293 1.00 0.00 C ATOM 0 H LEU A 13 -2.867 21.335 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.854 20.460 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.245 22.039 -13.371 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.588 22.749 -11.806 1.00 0.00 H new ATOM 0 HG LEU A 13 0.299 20.377 -12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.150 22.033 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.107 22.217 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.963 23.358 -12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.164 21.281 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.013 22.613 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.578 20.937 -9.827 1.00 0.00 H new ATOM 194 N HIS A 14 -1.378 18.536 -12.433 1.00 0.00 N ATOM 195 CA HIS A 14 -0.776 17.240 -12.018 1.00 0.00 C ATOM 196 C HIS A 14 0.746 17.379 -11.998 1.00 0.00 C ATOM 197 O HIS A 14 1.337 17.940 -12.899 1.00 0.00 O ATOM 198 CB HIS A 14 -1.196 16.221 -13.084 1.00 0.00 C ATOM 199 CG HIS A 14 -2.690 16.236 -13.286 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.379 15.115 -13.724 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.641 17.220 -13.136 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.679 15.446 -13.823 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.894 16.717 -13.475 1.00 0.00 N ATOM 0 H HIS A 14 -1.486 18.661 -13.440 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.104 16.933 -11.025 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.696 16.447 -14.026 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.876 15.223 -12.785 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.445 18.229 -12.805 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.454 14.767 -14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.785 17.213 -13.461 1.00 0.00 H new ATOM 211 N LEU A 15 1.390 16.871 -10.988 1.00 0.00 N ATOM 212 CA LEU A 15 2.876 16.981 -10.934 1.00 0.00 C ATOM 213 C LEU A 15 3.495 15.676 -10.422 1.00 0.00 C ATOM 214 O LEU A 15 2.877 14.916 -9.703 1.00 0.00 O ATOM 215 CB LEU A 15 3.231 18.163 -10.004 1.00 0.00 C ATOM 216 CG LEU A 15 2.155 18.440 -8.938 1.00 0.00 C ATOM 217 CD1 LEU A 15 0.859 18.943 -9.575 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.890 17.175 -8.134 1.00 0.00 C ATOM 0 H LEU A 15 0.958 16.387 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 15 3.278 17.159 -11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.179 17.955 -9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.376 19.060 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 15 2.525 19.221 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.119 19.129 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.055 19.868 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.477 18.191 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.128 17.376 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.542 16.386 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.810 16.856 -7.644 1.00 0.00 H new ATOM 230 N LYS A 16 4.712 15.408 -10.802 1.00 0.00 N ATOM 231 CA LYS A 16 5.380 14.155 -10.354 1.00 0.00 C ATOM 232 C LYS A 16 6.553 14.491 -9.433 1.00 0.00 C ATOM 233 O LYS A 16 7.501 15.138 -9.831 1.00 0.00 O ATOM 234 CB LYS A 16 5.882 13.495 -11.641 1.00 0.00 C ATOM 235 CG LYS A 16 5.763 11.972 -11.524 1.00 0.00 C ATOM 236 CD LYS A 16 6.734 11.305 -12.500 1.00 0.00 C ATOM 237 CE LYS A 16 6.519 11.869 -13.905 1.00 0.00 C ATOM 238 NZ LYS A 16 7.877 12.271 -14.366 1.00 0.00 N ATOM 0 H LYS A 16 5.276 16.006 -11.407 1.00 0.00 H new ATOM 0 HA LYS A 16 4.710 13.502 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.302 13.850 -12.493 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.920 13.775 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.983 11.657 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.742 11.659 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.762 11.478 -12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.579 10.226 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.081 11.123 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.838 12.720 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.814 12.669 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.266 12.987 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.501 11.439 -14.376 1.00 0.00 H new ATOM 252 N ALA A 17 6.497 14.060 -8.205 1.00 0.00 N ATOM 253 CA ALA A 17 7.608 14.361 -7.263 1.00 0.00 C ATOM 254 C ALA A 17 8.796 13.440 -7.537 1.00 0.00 C ATOM 255 O ALA A 17 8.700 12.228 -7.440 1.00 0.00 O ATOM 256 CB ALA A 17 7.034 14.103 -5.871 1.00 0.00 C ATOM 0 H ALA A 17 5.730 13.513 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 17 7.970 15.384 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.798 14.304 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.178 14.757 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.716 13.063 -5.796 1.00 0.00 H new ATOM 262 N LEU A 18 9.916 14.015 -7.876 1.00 0.00 N ATOM 263 CA LEU A 18 11.130 13.200 -8.156 1.00 0.00 C ATOM 264 C LEU A 18 12.082 13.274 -6.961 1.00 0.00 C ATOM 265 O LEU A 18 12.792 14.243 -6.782 1.00 0.00 O ATOM 266 CB LEU A 18 11.763 13.858 -9.385 1.00 0.00 C ATOM 267 CG LEU A 18 11.210 13.229 -10.670 1.00 0.00 C ATOM 268 CD1 LEU A 18 11.909 11.895 -10.931 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.702 12.995 -10.533 1.00 0.00 C ATOM 0 H LEU A 18 10.043 15.023 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 18 10.904 12.148 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.558 14.929 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.846 13.741 -9.351 1.00 0.00 H new ATOM 0 HG LEU A 18 11.393 13.907 -11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.514 11.450 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.981 12.061 -11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.731 11.221 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.318 12.548 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.513 12.324 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.201 13.947 -10.356 1.00 0.00 H new ATOM 281 N LEU A 19 12.100 12.266 -6.134 1.00 0.00 N ATOM 282 CA LEU A 19 13.002 12.300 -4.951 1.00 0.00 C ATOM 283 C LEU A 19 13.136 10.900 -4.346 1.00 0.00 C ATOM 284 O LEU A 19 12.197 10.129 -4.325 1.00 0.00 O ATOM 285 CB LEU A 19 12.311 13.247 -3.969 1.00 0.00 C ATOM 286 CG LEU A 19 13.298 13.674 -2.883 1.00 0.00 C ATOM 287 CD1 LEU A 19 13.653 12.469 -2.011 1.00 0.00 C ATOM 288 CD2 LEU A 19 14.568 14.223 -3.535 1.00 0.00 C ATOM 0 H LEU A 19 11.532 11.424 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 19 14.010 12.630 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.935 14.123 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.450 12.754 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 19 12.843 14.448 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.357 12.775 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.749 12.078 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.107 11.694 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.272 14.528 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.022 13.450 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.316 15.083 -4.155 1.00 0.00 H new ATOM 300 N ASP A 20 14.296 10.567 -3.851 1.00 0.00 N ATOM 301 CA ASP A 20 14.487 9.220 -3.242 1.00 0.00 C ATOM 302 C ASP A 20 14.039 9.248 -1.779 1.00 0.00 C ATOM 303 O ASP A 20 14.569 9.985 -0.971 1.00 0.00 O ATOM 304 CB ASP A 20 15.988 8.947 -3.339 1.00 0.00 C ATOM 305 CG ASP A 20 16.321 8.408 -4.732 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.238 7.205 -4.915 1.00 0.00 O ATOM 307 OD2 ASP A 20 16.651 9.208 -5.592 1.00 0.00 O ATOM 0 H ASP A 20 15.120 11.169 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 20 13.904 8.448 -3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.548 9.863 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.287 8.226 -2.578 1.00 0.00 H new ATOM 312 N PHE A 21 13.057 8.461 -1.433 1.00 0.00 N ATOM 313 CA PHE A 21 12.571 8.456 -0.025 1.00 0.00 C ATOM 314 C PHE A 21 12.238 7.033 0.429 1.00 0.00 C ATOM 315 O PHE A 21 11.754 6.223 -0.335 1.00 0.00 O ATOM 316 CB PHE A 21 11.306 9.313 -0.050 1.00 0.00 C ATOM 317 CG PHE A 21 11.352 10.310 1.081 1.00 0.00 C ATOM 318 CD1 PHE A 21 12.290 11.349 1.059 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.457 10.196 2.151 1.00 0.00 C ATOM 320 CE1 PHE A 21 12.333 12.273 2.109 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.501 11.120 3.200 1.00 0.00 C ATOM 322 CZ PHE A 21 11.439 12.159 3.180 1.00 0.00 C ATOM 0 H PHE A 21 12.571 7.823 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 21 13.321 8.837 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.225 9.833 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.423 8.680 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.980 11.437 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.733 9.395 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.056 13.075 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.811 11.032 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.473 12.872 3.990 1.00 0.00 H new ATOM 434 N VAL A 29 9.815 5.303 -1.827 1.00 0.00 N ATOM 435 CA VAL A 29 9.573 6.088 -3.075 1.00 0.00 C ATOM 436 C VAL A 29 10.915 6.370 -3.762 1.00 0.00 C ATOM 437 O VAL A 29 11.909 6.626 -3.114 1.00 0.00 O ATOM 438 CB VAL A 29 8.860 7.402 -2.645 1.00 0.00 C ATOM 439 CG1 VAL A 29 8.236 7.253 -1.252 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.846 8.578 -2.618 1.00 0.00 C ATOM 0 HA VAL A 29 8.951 5.547 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 29 8.077 7.600 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.743 8.184 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.504 6.445 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.016 7.024 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.323 9.485 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.646 8.366 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.271 8.720 -3.612 1.00 0.00 H new ATOM 450 N VAL A 30 10.955 6.320 -5.064 1.00 0.00 N ATOM 451 CA VAL A 30 12.238 6.583 -5.774 1.00 0.00 C ATOM 452 C VAL A 30 11.988 7.393 -7.047 1.00 0.00 C ATOM 453 O VAL A 30 11.785 6.847 -8.113 1.00 0.00 O ATOM 454 CB VAL A 30 12.788 5.200 -6.116 1.00 0.00 C ATOM 455 CG1 VAL A 30 13.075 4.438 -4.822 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.754 4.432 -6.941 1.00 0.00 C ATOM 0 H VAL A 30 10.159 6.109 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 30 12.934 7.162 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 30 13.708 5.303 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.468 3.450 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.809 4.987 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.153 4.333 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.145 3.444 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.835 4.326 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.544 4.978 -7.861 1.00 0.00 H new ATOM 466 N ALA A 31 12.004 8.691 -6.942 1.00 0.00 N ATOM 467 CA ALA A 31 11.770 9.538 -8.145 1.00 0.00 C ATOM 468 C ALA A 31 10.595 8.988 -8.957 1.00 0.00 C ATOM 469 O ALA A 31 10.752 8.567 -10.086 1.00 0.00 O ATOM 470 CB ALA A 31 13.068 9.449 -8.948 1.00 0.00 C ATOM 0 H ALA A 31 12.169 9.203 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 31 11.521 10.567 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.977 10.048 -9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.895 9.825 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.258 8.410 -9.218 1.00 0.00 H new ATOM 476 N GLY A 32 9.417 8.984 -8.393 1.00 0.00 N ATOM 477 CA GLY A 32 8.246 8.455 -9.146 1.00 0.00 C ATOM 478 C GLY A 32 6.938 8.814 -8.432 1.00 0.00 C ATOM 479 O GLY A 32 5.922 8.183 -8.646 1.00 0.00 O ATOM 0 H GLY A 32 9.217 9.321 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.240 8.866 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.328 7.372 -9.243 1.00 0.00 H new ATOM 483 N ASP A 33 6.935 9.821 -7.596 1.00 0.00 N ATOM 484 CA ASP A 33 5.661 10.186 -6.904 1.00 0.00 C ATOM 485 C ASP A 33 4.860 11.152 -7.781 1.00 0.00 C ATOM 486 O ASP A 33 5.419 11.918 -8.538 1.00 0.00 O ATOM 487 CB ASP A 33 6.082 10.863 -5.599 1.00 0.00 C ATOM 488 CG ASP A 33 7.251 10.099 -4.975 1.00 0.00 C ATOM 489 OD1 ASP A 33 7.083 8.923 -4.697 1.00 0.00 O ATOM 490 OD2 ASP A 33 8.293 10.704 -4.786 1.00 0.00 O ATOM 0 H ASP A 33 7.744 10.398 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 33 5.029 9.319 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.371 11.896 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.242 10.891 -4.905 1.00 0.00 H new ATOM 495 N GLU A 34 3.560 11.120 -7.697 1.00 0.00 N ATOM 496 CA GLU A 34 2.741 12.038 -8.541 1.00 0.00 C ATOM 497 C GLU A 34 1.402 12.339 -7.863 1.00 0.00 C ATOM 498 O GLU A 34 0.830 11.498 -7.199 1.00 0.00 O ATOM 499 CB GLU A 34 2.516 11.271 -9.844 1.00 0.00 C ATOM 500 CG GLU A 34 2.269 12.259 -10.985 1.00 0.00 C ATOM 501 CD GLU A 34 1.949 11.488 -12.268 1.00 0.00 C ATOM 502 OE1 GLU A 34 2.188 10.292 -12.292 1.00 0.00 O ATOM 503 OE2 GLU A 34 1.468 12.107 -13.203 1.00 0.00 O ATOM 0 H GLU A 34 3.029 10.501 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 34 3.234 12.997 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.384 10.651 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.664 10.600 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.443 12.924 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.148 12.886 -11.134 1.00 0.00 H new ATOM 510 N TRP A 35 0.892 13.531 -8.032 1.00 0.00 N ATOM 511 CA TRP A 35 -0.415 13.870 -7.398 1.00 0.00 C ATOM 512 C TRP A 35 -0.962 15.187 -7.960 1.00 0.00 C ATOM 513 O TRP A 35 -0.284 15.902 -8.673 1.00 0.00 O ATOM 514 CB TRP A 35 -0.117 13.965 -5.899 1.00 0.00 C ATOM 515 CG TRP A 35 0.558 15.258 -5.563 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.037 16.307 -4.948 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.946 15.648 -5.783 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.895 17.317 -4.781 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.132 16.959 -5.280 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.051 15.002 -6.368 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.369 17.603 -5.352 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.295 15.647 -6.444 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.456 16.943 -5.936 1.00 0.00 C ATOM 0 H TRP A 35 1.321 14.279 -8.577 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.183 13.123 -7.599 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.046 13.879 -5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.517 13.131 -5.598 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.071 16.349 -4.638 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.693 18.216 -4.343 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.941 14.002 -6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.486 18.603 -4.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.134 15.141 -6.897 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.417 17.432 -5.995 1.00 0.00 H new ATOM 534 N LEU A 36 -2.196 15.499 -7.666 1.00 0.00 N ATOM 535 CA LEU A 36 -2.801 16.754 -8.201 1.00 0.00 C ATOM 536 C LEU A 36 -2.609 17.913 -7.224 1.00 0.00 C ATOM 537 O LEU A 36 -2.442 17.719 -6.037 1.00 0.00 O ATOM 538 CB LEU A 36 -4.289 16.438 -8.354 1.00 0.00 C ATOM 539 CG LEU A 36 -4.666 16.455 -9.836 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.373 17.836 -10.425 1.00 0.00 C ATOM 541 CD2 LEU A 36 -3.847 15.399 -10.579 1.00 0.00 C ATOM 0 H LEU A 36 -2.812 14.938 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.338 17.056 -9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.510 15.462 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.885 17.170 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.728 16.236 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.642 17.846 -11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.956 18.589 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.311 18.059 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.114 15.409 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.785 15.620 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.058 14.415 -10.161 1.00 0.00 H new ATOM 553 N PHE A 37 -2.642 19.119 -7.719 1.00 0.00 N ATOM 554 CA PHE A 37 -2.471 20.296 -6.824 1.00 0.00 C ATOM 555 C PHE A 37 -3.558 21.334 -7.115 1.00 0.00 C ATOM 556 O PHE A 37 -3.570 21.952 -8.162 1.00 0.00 O ATOM 557 CB PHE A 37 -1.087 20.853 -7.166 1.00 0.00 C ATOM 558 CG PHE A 37 -0.641 21.849 -6.114 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.527 22.273 -5.115 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.666 22.351 -6.145 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.107 23.197 -4.151 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.087 23.274 -5.181 1.00 0.00 C ATOM 563 CZ PHE A 37 0.199 23.698 -4.184 1.00 0.00 C ATOM 0 H PHE A 37 -2.780 19.340 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.553 20.035 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.367 20.038 -7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.114 21.335 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.535 21.887 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.350 22.025 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.791 23.523 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.096 23.659 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.522 24.412 -3.441 1.00 0.00 H new ATOM 573 N GLU A 38 -4.472 21.524 -6.196 1.00 0.00 N ATOM 574 CA GLU A 38 -5.562 22.523 -6.407 1.00 0.00 C ATOM 575 C GLU A 38 -5.030 23.931 -6.130 1.00 0.00 C ATOM 576 O GLU A 38 -4.255 24.142 -5.219 1.00 0.00 O ATOM 577 CB GLU A 38 -6.648 22.144 -5.398 1.00 0.00 C ATOM 578 CG GLU A 38 -7.814 23.131 -5.501 1.00 0.00 C ATOM 579 CD GLU A 38 -7.710 24.170 -4.383 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.575 23.769 -3.238 1.00 0.00 O ATOM 581 OE2 GLU A 38 -7.769 25.349 -4.689 1.00 0.00 O ATOM 0 H GLU A 38 -4.509 21.028 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.944 22.519 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.999 21.130 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.239 22.153 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.800 23.625 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.762 22.598 -5.428 1.00 0.00 H new ATOM 588 N GLY A 39 -5.420 24.894 -6.921 1.00 0.00 N ATOM 589 CA GLY A 39 -4.912 26.279 -6.707 1.00 0.00 C ATOM 590 C GLY A 39 -3.379 26.256 -6.693 1.00 0.00 C ATOM 591 O GLY A 39 -2.762 26.868 -5.844 1.00 0.00 O ATOM 0 H GLY A 39 -6.066 24.782 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.271 26.937 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.290 26.677 -5.765 1.00 0.00 H new ATOM 595 N PRO A 40 -2.808 25.538 -7.633 1.00 0.00 N ATOM 596 CA PRO A 40 -1.329 25.428 -7.718 1.00 0.00 C ATOM 597 C PRO A 40 -0.710 26.701 -8.304 1.00 0.00 C ATOM 598 O PRO A 40 0.441 26.717 -8.679 1.00 0.00 O ATOM 599 CB PRO A 40 -1.111 24.255 -8.667 1.00 0.00 C ATOM 600 CG PRO A 40 -2.344 24.202 -9.511 1.00 0.00 C ATOM 601 CD PRO A 40 -3.474 24.768 -8.692 1.00 0.00 C ATOM 0 HA PRO A 40 -0.867 25.288 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.221 24.403 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.969 23.324 -8.117 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.208 24.778 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.562 23.176 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.123 25.402 -9.296 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.098 23.977 -8.276 1.00 0.00 H new ATOM 609 N GLY A 41 -1.451 27.765 -8.400 1.00 0.00 N ATOM 610 CA GLY A 41 -0.867 29.007 -8.970 1.00 0.00 C ATOM 611 C GLY A 41 0.464 29.308 -8.274 1.00 0.00 C ATOM 612 O GLY A 41 1.427 29.700 -8.900 1.00 0.00 O ATOM 0 H GLY A 41 -2.427 27.830 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.711 28.890 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.556 29.841 -8.837 1.00 0.00 H new ATOM 616 N THR A 42 0.524 29.132 -6.981 1.00 0.00 N ATOM 617 CA THR A 42 1.792 29.420 -6.243 1.00 0.00 C ATOM 618 C THR A 42 2.760 28.232 -6.317 1.00 0.00 C ATOM 619 O THR A 42 3.682 28.129 -5.531 1.00 0.00 O ATOM 620 CB THR A 42 1.359 29.663 -4.797 1.00 0.00 C ATOM 621 OG1 THR A 42 0.591 28.558 -4.343 1.00 0.00 O ATOM 622 CG2 THR A 42 0.516 30.937 -4.723 1.00 0.00 C ATOM 0 H THR A 42 -0.249 28.802 -6.403 1.00 0.00 H new ATOM 0 HA THR A 42 2.320 30.273 -6.669 1.00 0.00 H new ATOM 0 HB THR A 42 2.241 29.776 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.314 28.711 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.208 31.110 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.106 31.784 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.367 30.826 -5.352 1.00 0.00 H new ATOM 630 N TYR A 43 2.571 27.340 -7.249 1.00 0.00 N ATOM 631 CA TYR A 43 3.498 26.174 -7.356 1.00 0.00 C ATOM 632 C TYR A 43 4.545 26.430 -8.444 1.00 0.00 C ATOM 633 O TYR A 43 4.226 26.796 -9.558 1.00 0.00 O ATOM 634 CB TYR A 43 2.616 24.975 -7.725 1.00 0.00 C ATOM 635 CG TYR A 43 3.465 23.886 -8.343 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.788 23.945 -9.705 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.932 22.823 -7.560 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.575 22.943 -10.283 1.00 0.00 C ATOM 639 CE2 TYR A 43 4.719 21.820 -8.139 1.00 0.00 C ATOM 640 CZ TYR A 43 5.039 21.880 -9.501 1.00 0.00 C ATOM 641 OH TYR A 43 5.815 20.893 -10.073 1.00 0.00 O ATOM 0 H TYR A 43 1.820 27.365 -7.939 1.00 0.00 H new ATOM 0 HA TYR A 43 4.039 25.998 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.112 24.596 -6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.839 25.285 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.429 24.765 -10.309 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.685 22.777 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.824 22.990 -11.333 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.079 21.000 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 43 6.332 21.272 -10.815 1.00 0.00 H new ATOM 651 N ILE A 44 5.791 26.222 -8.128 1.00 0.00 N ATOM 652 CA ILE A 44 6.868 26.432 -9.136 1.00 0.00 C ATOM 653 C ILE A 44 7.528 25.086 -9.450 1.00 0.00 C ATOM 654 O ILE A 44 7.632 24.236 -8.588 1.00 0.00 O ATOM 655 CB ILE A 44 7.852 27.390 -8.463 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.087 28.611 -7.941 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.905 27.847 -9.474 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.463 29.366 -9.117 1.00 0.00 C ATOM 0 H ILE A 44 6.113 25.914 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 44 6.504 26.839 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 44 8.346 26.880 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.310 28.296 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.761 29.267 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.603 28.529 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.448 26.980 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.416 28.358 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.919 30.234 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.249 29.694 -9.797 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.776 28.708 -9.648 1.00 0.00 H new ATOM 670 N PRO A 45 7.940 24.927 -10.678 1.00 0.00 N ATOM 671 CA PRO A 45 8.577 23.654 -11.105 1.00 0.00 C ATOM 672 C PRO A 45 9.919 23.451 -10.397 1.00 0.00 C ATOM 673 O PRO A 45 10.972 23.599 -10.984 1.00 0.00 O ATOM 674 CB PRO A 45 8.763 23.835 -12.609 1.00 0.00 C ATOM 675 CG PRO A 45 8.792 25.315 -12.811 1.00 0.00 C ATOM 676 CD PRO A 45 7.863 25.896 -11.777 1.00 0.00 C ATOM 0 HA PRO A 45 7.982 22.774 -10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.687 23.370 -12.953 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.948 23.375 -13.167 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.803 25.705 -12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.467 25.577 -13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.182 26.889 -11.461 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.846 25.994 -12.158 1.00 0.00 H new ATOM 684 N ARG A 46 9.885 23.100 -9.140 1.00 0.00 N ATOM 685 CA ARG A 46 11.156 22.875 -8.394 1.00 0.00 C ATOM 686 C ARG A 46 11.789 21.552 -8.834 1.00 0.00 C ATOM 687 O ARG A 46 11.109 20.564 -9.033 1.00 0.00 O ATOM 688 CB ARG A 46 10.746 22.811 -6.922 1.00 0.00 C ATOM 689 CG ARG A 46 11.917 23.257 -6.045 1.00 0.00 C ATOM 690 CD ARG A 46 11.405 24.187 -4.943 1.00 0.00 C ATOM 691 NE ARG A 46 10.819 23.282 -3.916 1.00 0.00 N ATOM 692 CZ ARG A 46 10.236 23.784 -2.862 1.00 0.00 C ATOM 693 NH1 ARG A 46 10.593 24.956 -2.414 1.00 0.00 N ATOM 694 NH2 ARG A 46 9.295 23.113 -2.256 1.00 0.00 N ATOM 0 H ARG A 46 9.033 22.959 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 46 11.891 23.659 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.882 23.452 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.448 21.796 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.406 22.388 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.664 23.770 -6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.214 24.787 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.659 24.882 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 46 10.873 22.271 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.328 25.481 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.137 25.348 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.016 22.197 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.839 23.505 -1.432 1.00 0.00 H new ATOM 708 N LYS A 47 13.083 21.526 -8.995 1.00 0.00 N ATOM 709 CA LYS A 47 13.753 20.266 -9.427 1.00 0.00 C ATOM 710 C LYS A 47 13.226 19.077 -8.618 1.00 0.00 C ATOM 711 O LYS A 47 13.279 17.945 -9.054 1.00 0.00 O ATOM 712 CB LYS A 47 15.240 20.491 -9.149 1.00 0.00 C ATOM 713 CG LYS A 47 15.439 20.817 -7.669 1.00 0.00 C ATOM 714 CD LYS A 47 16.787 20.263 -7.201 1.00 0.00 C ATOM 715 CE LYS A 47 16.557 19.017 -6.342 1.00 0.00 C ATOM 716 NZ LYS A 47 16.362 17.907 -7.316 1.00 0.00 N ATOM 0 H LYS A 47 13.705 22.321 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 47 13.565 20.039 -10.477 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.809 19.601 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.617 21.307 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.404 21.896 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.631 20.384 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.409 20.015 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.324 21.019 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.409 18.825 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.684 19.136 -5.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.788 17.036 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.345 17.756 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.817 18.153 -8.218 1.00 0.00 H new ATOM 730 N GLU A 48 12.716 19.325 -7.440 1.00 0.00 N ATOM 731 CA GLU A 48 12.185 18.207 -6.606 1.00 0.00 C ATOM 732 C GLU A 48 11.108 17.438 -7.376 1.00 0.00 C ATOM 733 O GLU A 48 10.998 16.235 -7.267 1.00 0.00 O ATOM 734 CB GLU A 48 11.586 18.880 -5.371 1.00 0.00 C ATOM 735 CG GLU A 48 12.027 18.123 -4.118 1.00 0.00 C ATOM 736 CD GLU A 48 10.950 18.248 -3.038 1.00 0.00 C ATOM 737 OE1 GLU A 48 9.844 18.641 -3.373 1.00 0.00 O ATOM 738 OE2 GLU A 48 11.250 17.951 -1.893 1.00 0.00 O ATOM 0 H GLU A 48 12.644 20.252 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 48 12.959 17.487 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.911 19.919 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.498 18.890 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.198 17.073 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.972 18.524 -3.752 1.00 0.00 H new ATOM 745 N VAL A 49 10.317 18.125 -8.156 1.00 0.00 N ATOM 746 CA VAL A 49 9.249 17.434 -8.940 1.00 0.00 C ATOM 747 C VAL A 49 9.128 18.065 -10.332 1.00 0.00 C ATOM 748 O VAL A 49 9.706 19.097 -10.609 1.00 0.00 O ATOM 749 CB VAL A 49 7.948 17.624 -8.134 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.249 17.582 -6.633 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.301 18.971 -8.478 1.00 0.00 C ATOM 0 H VAL A 49 10.363 19.136 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 49 9.469 16.377 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 49 7.262 16.817 -8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.324 17.717 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.691 16.619 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.947 18.380 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.384 19.092 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.991 19.779 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.068 19.001 -9.542 1.00 0.00 H new ATOM 761 N GLU A 50 8.377 17.456 -11.207 1.00 0.00 N ATOM 762 CA GLU A 50 8.215 18.025 -12.576 1.00 0.00 C ATOM 763 C GLU A 50 6.727 18.149 -12.919 1.00 0.00 C ATOM 764 O GLU A 50 5.957 17.230 -12.721 1.00 0.00 O ATOM 765 CB GLU A 50 8.904 17.030 -13.509 1.00 0.00 C ATOM 766 CG GLU A 50 10.380 16.907 -13.124 1.00 0.00 C ATOM 767 CD GLU A 50 11.225 17.795 -14.040 1.00 0.00 C ATOM 768 OE1 GLU A 50 10.709 18.804 -14.494 1.00 0.00 O ATOM 769 OE2 GLU A 50 12.373 17.453 -14.269 1.00 0.00 O ATOM 0 H GLU A 50 7.868 16.589 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 50 8.646 19.022 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.418 16.057 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.813 17.362 -14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.521 17.202 -12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.703 15.869 -13.208 1.00 0.00 H new ATOM 776 N VAL A 51 6.318 19.278 -13.429 1.00 0.00 N ATOM 777 CA VAL A 51 4.880 19.460 -13.781 1.00 0.00 C ATOM 778 C VAL A 51 4.429 18.369 -14.754 1.00 0.00 C ATOM 779 O VAL A 51 5.039 18.148 -15.780 1.00 0.00 O ATOM 780 CB VAL A 51 4.809 20.831 -14.445 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.015 21.917 -13.389 1.00 0.00 C ATOM 782 CG2 VAL A 51 5.905 20.937 -15.507 1.00 0.00 C ATOM 0 H VAL A 51 6.916 20.082 -13.617 1.00 0.00 H new ATOM 0 HA VAL A 51 4.230 19.393 -12.909 1.00 0.00 H new ATOM 0 HB VAL A 51 3.834 20.961 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.965 22.898 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.236 21.839 -12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.991 21.789 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.857 21.916 -15.983 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.880 20.810 -15.037 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.760 20.161 -16.258 1.00 0.00 H new ATOM 792 N VAL A 52 3.362 17.689 -14.439 1.00 0.00 N ATOM 793 CA VAL A 52 2.872 16.615 -15.347 1.00 0.00 C ATOM 794 C VAL A 52 1.762 17.162 -16.255 1.00 0.00 C ATOM 795 O VAL A 52 1.890 17.174 -17.463 1.00 0.00 O ATOM 796 CB VAL A 52 2.334 15.527 -14.415 1.00 0.00 C ATOM 797 CG1 VAL A 52 1.979 14.285 -15.226 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.404 15.156 -13.387 1.00 0.00 C ATOM 0 H VAL A 52 2.809 17.830 -13.594 1.00 0.00 H new ATOM 0 HA VAL A 52 3.653 16.231 -16.004 1.00 0.00 H new ATOM 0 HB VAL A 52 1.446 15.902 -13.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.596 13.512 -14.559 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.217 14.538 -15.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.869 13.916 -15.735 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.019 14.381 -12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.290 14.785 -13.902 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.667 16.037 -12.801 1.00 0.00 H new ATOM 808 N GLU A 53 0.679 17.621 -15.684 1.00 0.00 N ATOM 809 CA GLU A 53 -0.431 18.169 -16.522 1.00 0.00 C ATOM 810 C GLU A 53 -1.094 19.360 -15.819 1.00 0.00 C ATOM 811 O GLU A 53 -0.769 19.691 -14.696 1.00 0.00 O ATOM 812 CB GLU A 53 -1.438 17.022 -16.670 1.00 0.00 C ATOM 813 CG GLU A 53 -0.700 15.701 -16.907 1.00 0.00 C ATOM 814 CD GLU A 53 -0.051 15.717 -18.291 1.00 0.00 C ATOM 815 OE1 GLU A 53 -0.060 16.764 -18.916 1.00 0.00 O ATOM 816 OE2 GLU A 53 0.444 14.680 -18.704 1.00 0.00 O ATOM 0 H GLU A 53 0.514 17.641 -14.678 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.069 18.523 -17.487 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.052 16.949 -15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.113 17.225 -17.502 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.060 15.555 -16.140 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.396 14.865 -16.830 1.00 0.00 H new ATOM 823 N ILE A 54 -2.031 19.997 -16.470 1.00 0.00 N ATOM 824 CA ILE A 54 -2.732 21.159 -15.842 1.00 0.00 C ATOM 825 C ILE A 54 -4.236 21.046 -16.124 1.00 0.00 C ATOM 826 O ILE A 54 -4.645 20.760 -17.232 1.00 0.00 O ATOM 827 CB ILE A 54 -2.156 22.432 -16.494 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.749 22.175 -17.054 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.072 23.543 -15.444 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.234 21.974 -15.899 1.00 0.00 C ATOM 0 H ILE A 54 -2.343 19.763 -17.412 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.587 21.185 -14.762 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.813 22.726 -17.313 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.757 21.294 -17.695 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.433 23.016 -17.672 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.665 24.445 -15.901 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.068 23.751 -15.054 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.423 23.225 -14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.232 21.792 -16.298 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.250 22.868 -15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.079 21.119 -15.300 1.00 0.00 H new ATOM 842 N ILE A 55 -5.063 21.253 -15.134 1.00 0.00 N ATOM 843 CA ILE A 55 -6.534 21.137 -15.363 1.00 0.00 C ATOM 844 C ILE A 55 -7.270 22.384 -14.854 1.00 0.00 C ATOM 845 O ILE A 55 -7.075 22.823 -13.736 1.00 0.00 O ATOM 846 CB ILE A 55 -6.959 19.879 -14.583 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.142 19.217 -15.297 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.373 20.236 -13.150 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.276 20.232 -15.452 1.00 0.00 C ATOM 0 H ILE A 55 -4.787 21.496 -14.183 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.779 21.059 -16.422 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.111 19.195 -14.541 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.831 18.850 -16.275 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.487 18.354 -14.728 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.669 19.330 -12.620 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.533 20.700 -12.634 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.212 20.931 -13.176 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.118 19.762 -15.960 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.593 20.577 -14.468 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.926 21.081 -16.039 1.00 0.00 H new ATOM 861 N GLN A 56 -8.126 22.942 -15.666 1.00 0.00 N ATOM 862 CA GLN A 56 -8.891 24.146 -15.234 1.00 0.00 C ATOM 863 C GLN A 56 -10.251 23.713 -14.680 1.00 0.00 C ATOM 864 O GLN A 56 -10.931 22.890 -15.260 1.00 0.00 O ATOM 865 CB GLN A 56 -9.064 24.985 -16.502 1.00 0.00 C ATOM 866 CG GLN A 56 -7.742 25.029 -17.273 1.00 0.00 C ATOM 867 CD GLN A 56 -6.659 25.661 -16.396 1.00 0.00 C ATOM 868 OE1 GLN A 56 -6.127 25.021 -15.512 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.307 26.900 -16.607 1.00 0.00 N ATOM 0 H GLN A 56 -8.329 22.616 -16.611 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.385 24.708 -14.449 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.848 24.559 -17.128 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.379 25.996 -16.241 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.446 24.022 -17.565 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.863 25.605 -18.191 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.754 27.438 -17.350 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.585 27.331 -16.029 1.00 0.00 H new ATOM 878 N ALA A 57 -10.651 24.248 -13.559 1.00 0.00 N ATOM 879 CA ALA A 57 -11.960 23.849 -12.971 1.00 0.00 C ATOM 880 C ALA A 57 -13.070 23.911 -14.023 1.00 0.00 C ATOM 881 O ALA A 57 -13.148 24.844 -14.797 1.00 0.00 O ATOM 882 CB ALA A 57 -12.217 24.872 -11.869 1.00 0.00 C ATOM 0 H ALA A 57 -10.129 24.943 -13.026 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.944 22.826 -12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.166 24.651 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.413 24.826 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.256 25.871 -12.302 1.00 0.00 H new ATOM 888 N THR A 58 -13.935 22.929 -14.052 1.00 0.00 N ATOM 889 CA THR A 58 -15.040 22.949 -15.056 1.00 0.00 C ATOM 890 C THR A 58 -15.950 21.720 -14.919 1.00 0.00 C ATOM 891 O THR A 58 -16.311 21.108 -15.904 1.00 0.00 O ATOM 892 CB THR A 58 -14.337 22.925 -16.414 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.312 22.939 -17.448 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.492 21.655 -16.526 1.00 0.00 C ATOM 0 H THR A 58 -13.924 22.121 -13.429 1.00 0.00 H new ATOM 0 HA THR A 58 -15.679 23.822 -14.923 1.00 0.00 H new ATOM 0 HB THR A 58 -13.693 23.799 -16.509 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.010 22.281 -17.248 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.990 21.636 -17.493 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.747 21.642 -15.730 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.136 20.780 -16.434 1.00 0.00 H new ATOM 902 N ILE A 59 -16.345 21.351 -13.727 1.00 0.00 N ATOM 903 CA ILE A 59 -17.244 20.162 -13.607 1.00 0.00 C ATOM 904 C ILE A 59 -17.953 20.117 -12.242 1.00 0.00 C ATOM 905 O ILE A 59 -19.161 20.012 -12.175 1.00 0.00 O ATOM 906 CB ILE A 59 -16.332 18.943 -13.837 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.099 17.886 -14.632 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.869 18.336 -12.510 1.00 0.00 C ATOM 909 CD1 ILE A 59 -16.611 17.883 -16.082 1.00 0.00 C ATOM 0 H ILE A 59 -16.092 21.808 -12.851 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.055 20.191 -14.335 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.452 19.272 -14.389 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -16.952 16.902 -14.186 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.168 18.095 -14.598 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.227 17.477 -12.707 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.313 19.082 -11.943 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.737 18.015 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.158 17.129 -16.648 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.781 18.864 -16.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.546 17.653 -16.107 1.00 0.00 H new ATOM 921 N ILE A 60 -17.231 20.187 -11.155 1.00 0.00 N ATOM 922 CA ILE A 60 -17.907 20.135 -9.822 1.00 0.00 C ATOM 923 C ILE A 60 -18.940 21.263 -9.715 1.00 0.00 C ATOM 924 O ILE A 60 -18.947 22.187 -10.502 1.00 0.00 O ATOM 925 CB ILE A 60 -16.793 20.304 -8.785 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.088 18.961 -8.579 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.387 20.770 -7.454 1.00 0.00 C ATOM 928 CD1 ILE A 60 -14.751 19.187 -7.871 1.00 0.00 C ATOM 0 H ILE A 60 -16.215 20.277 -11.129 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.444 19.199 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.080 21.048 -9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.717 18.296 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.924 18.473 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.589 20.888 -6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -17.894 21.725 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.102 20.030 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.250 18.230 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.122 19.836 -8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.927 19.656 -6.903 1.00 0.00 H new ATOM 940 N ARG A 61 -19.818 21.185 -8.751 1.00 0.00 N ATOM 941 CA ARG A 61 -20.859 22.244 -8.599 1.00 0.00 C ATOM 942 C ARG A 61 -20.400 23.331 -7.621 1.00 0.00 C ATOM 943 O ARG A 61 -19.228 23.467 -7.329 1.00 0.00 O ATOM 944 CB ARG A 61 -22.083 21.515 -8.045 1.00 0.00 C ATOM 945 CG ARG A 61 -23.280 21.756 -8.965 1.00 0.00 C ATOM 946 CD ARG A 61 -23.988 20.426 -9.240 1.00 0.00 C ATOM 947 NE ARG A 61 -25.071 20.350 -8.221 1.00 0.00 N ATOM 948 CZ ARG A 61 -25.296 19.229 -7.590 1.00 0.00 C ATOM 949 NH1 ARG A 61 -24.295 18.504 -7.169 1.00 0.00 N ATOM 950 NH2 ARG A 61 -26.521 18.833 -7.382 1.00 0.00 N ATOM 0 H ARG A 61 -19.860 20.434 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 61 -21.065 22.746 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.879 20.447 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.307 21.870 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -23.972 22.460 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.948 22.204 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -24.394 20.396 -10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -23.300 19.586 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 61 -25.637 21.173 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.337 18.813 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -24.471 17.629 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -27.303 19.399 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -26.697 17.957 -6.889 1.00 0.00 H new ATOM 964 N GLN A 62 -21.323 24.109 -7.119 1.00 0.00 N ATOM 965 CA GLN A 62 -20.961 25.199 -6.165 1.00 0.00 C ATOM 966 C GLN A 62 -20.258 24.627 -4.930 1.00 0.00 C ATOM 967 O GLN A 62 -19.076 24.823 -4.730 1.00 0.00 O ATOM 968 CB GLN A 62 -22.295 25.836 -5.772 1.00 0.00 C ATOM 969 CG GLN A 62 -22.046 26.987 -4.795 1.00 0.00 C ATOM 970 CD GLN A 62 -23.121 26.977 -3.706 1.00 0.00 C ATOM 971 OE1 GLN A 62 -22.845 27.277 -2.561 1.00 0.00 O ATOM 972 NE2 GLN A 62 -24.345 26.644 -4.014 1.00 0.00 N ATOM 0 H GLN A 62 -22.318 24.036 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 62 -20.274 25.919 -6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -22.809 26.204 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -22.944 25.090 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -21.058 26.889 -4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -22.061 27.938 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -24.579 26.392 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -25.068 26.636 -3.294 1.00 0.00 H new ATOM 981 N ASN A 63 -20.976 23.928 -4.096 1.00 0.00 N ATOM 982 CA ASN A 63 -20.346 23.354 -2.873 1.00 0.00 C ATOM 983 C ASN A 63 -20.342 21.824 -2.949 1.00 0.00 C ATOM 984 O ASN A 63 -20.331 21.140 -1.945 1.00 0.00 O ATOM 985 CB ASN A 63 -21.219 23.846 -1.719 1.00 0.00 C ATOM 986 CG ASN A 63 -22.580 23.148 -1.776 1.00 0.00 C ATOM 987 OD1 ASN A 63 -22.657 21.937 -1.786 1.00 0.00 O ATOM 988 ND2 ASN A 63 -23.666 23.871 -1.820 1.00 0.00 N ATOM 0 H ASN A 63 -21.970 23.729 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.307 23.660 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -20.732 23.639 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.349 24.926 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -24.579 23.418 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.602 24.889 -1.812 1.00 0.00 H new ATOM 995 N GLN A 64 -20.348 21.284 -4.134 1.00 0.00 N ATOM 996 CA GLN A 64 -20.341 19.801 -4.286 1.00 0.00 C ATOM 997 C GLN A 64 -19.089 19.202 -3.631 1.00 0.00 C ATOM 998 O GLN A 64 -18.000 19.727 -3.749 1.00 0.00 O ATOM 999 CB GLN A 64 -20.340 19.571 -5.803 1.00 0.00 C ATOM 1000 CG GLN A 64 -19.656 18.241 -6.147 1.00 0.00 C ATOM 1001 CD GLN A 64 -20.477 17.080 -5.583 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -19.953 16.230 -4.891 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -21.752 17.006 -5.852 1.00 0.00 N ATOM 0 H GLN A 64 -20.358 21.808 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.194 19.324 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -21.364 19.567 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -19.823 20.392 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -19.559 18.139 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.648 18.221 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -22.193 17.719 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -22.308 16.235 -5.481 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.241 18.098 -2.953 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.070 17.447 -2.302 1.00 0.00 C ATOM 1014 C ALA A 65 -17.794 16.096 -2.968 1.00 0.00 C ATOM 1015 O ALA A 65 -18.686 15.286 -3.147 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.481 17.253 -0.843 1.00 0.00 C ATOM 0 H ALA A 65 -20.131 17.617 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.161 18.042 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.667 16.777 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.701 18.222 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.368 16.621 -0.796 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.568 15.848 -3.342 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.237 14.552 -4.001 1.00 0.00 C ATOM 1024 C LEU A 66 -15.107 13.847 -3.247 1.00 0.00 C ATOM 1025 O LEU A 66 -14.024 14.378 -3.094 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.785 14.930 -5.411 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.987 15.416 -6.221 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.552 15.690 -7.661 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -18.074 14.339 -6.214 1.00 0.00 C ATOM 0 H LEU A 66 -15.782 16.486 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.085 13.867 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.026 15.711 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.328 14.070 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.379 16.332 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.408 16.037 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.776 16.455 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.162 14.774 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.932 14.684 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -17.682 13.424 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.383 14.141 -5.188 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.351 12.657 -2.776 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.292 11.916 -2.031 1.00 0.00 C ATOM 1043 C ARG A 67 -13.569 10.946 -2.967 1.00 0.00 C ATOM 1044 O ARG A 67 -14.182 10.152 -3.652 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.043 11.152 -0.940 1.00 0.00 C ATOM 1046 CG ARG A 67 -14.041 10.555 0.051 1.00 0.00 C ATOM 1047 CD ARG A 67 -14.618 9.271 0.651 1.00 0.00 C ATOM 1048 NE ARG A 67 -16.001 9.632 1.069 1.00 0.00 N ATOM 1049 CZ ARG A 67 -16.203 10.212 2.220 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -15.992 9.555 3.329 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -16.616 11.449 2.263 1.00 0.00 N ATOM 0 H ARG A 67 -16.238 12.163 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.533 12.580 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.729 11.821 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.645 10.360 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.098 10.342 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.824 11.273 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.624 8.462 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.025 8.930 1.500 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.790 9.426 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.669 8.588 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.150 10.009 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.781 11.962 1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.774 11.903 3.163 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.266 11.004 -2.999 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.499 10.085 -3.888 1.00 0.00 C ATOM 1067 C LEU A 68 -10.587 9.185 -3.049 1.00 0.00 C ATOM 1068 O LEU A 68 -10.089 9.584 -2.014 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.664 11.002 -4.785 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.568 12.042 -5.452 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.757 12.837 -6.477 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.726 11.337 -6.161 1.00 0.00 C ATOM 0 H LEU A 68 -11.699 11.648 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 68 -12.151 9.432 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.895 11.501 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.151 10.413 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.964 12.717 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.399 13.578 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.931 13.341 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.362 12.159 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.368 12.079 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.331 10.661 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.305 10.767 -5.434 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.365 7.976 -3.486 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.485 7.053 -2.711 1.00 0.00 C ATOM 1086 C ARG A 69 -8.254 6.675 -3.539 1.00 0.00 C ATOM 1087 O ARG A 69 -8.314 6.576 -4.748 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.349 5.822 -2.437 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.553 4.812 -1.609 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.437 4.261 -0.488 1.00 0.00 C ATOM 1091 NE ARG A 69 -9.644 3.158 0.121 1.00 0.00 N ATOM 1092 CZ ARG A 69 -10.209 2.329 0.955 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -11.094 1.471 0.525 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -9.891 2.359 2.220 1.00 0.00 N ATOM 0 H ARG A 69 -10.754 7.587 -4.345 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.118 7.506 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.254 6.112 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.664 5.369 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.205 3.998 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.668 5.288 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.669 5.032 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.387 3.895 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.657 3.050 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.344 1.448 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.535 0.823 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.201 3.030 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.333 1.711 2.872 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.137 6.472 -2.896 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.897 6.108 -3.642 1.00 0.00 C ATOM 1110 C ALA A 70 -6.022 4.711 -4.256 1.00 0.00 C ATOM 1111 O ALA A 70 -6.479 3.781 -3.621 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.786 6.130 -2.592 1.00 0.00 C ATOM 0 H ALA A 70 -7.028 6.542 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.702 6.794 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.837 5.872 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.716 7.127 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.012 5.407 -1.808 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.603 4.555 -5.484 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.681 3.217 -6.138 1.00 0.00 C ATOM 1120 C ARG A 71 -4.269 2.714 -6.452 1.00 0.00 C ATOM 1121 O ARG A 71 -4.072 1.581 -6.842 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.483 3.441 -7.424 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.603 4.129 -8.474 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.315 4.110 -9.829 1.00 0.00 C ATOM 1125 NE ARG A 71 -7.550 4.915 -9.627 1.00 0.00 N ATOM 1126 CZ ARG A 71 -8.172 5.424 -10.655 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -7.683 6.471 -11.262 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -9.283 4.886 -11.076 1.00 0.00 N ATOM 0 H ARG A 71 -5.210 5.297 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.154 2.468 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.845 2.487 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.360 4.053 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.397 5.156 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.642 3.620 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.688 4.539 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.554 3.091 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.910 5.069 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.814 6.892 -10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.170 6.868 -12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.665 4.068 -10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.770 5.283 -11.879 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.284 3.554 -6.280 1.00 0.00 N ATOM 1143 CA LYS A 72 -1.880 3.140 -6.562 1.00 0.00 C ATOM 1144 C LYS A 72 -0.943 3.739 -5.509 1.00 0.00 C ATOM 1145 O LYS A 72 -0.700 4.929 -5.490 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.573 3.713 -7.947 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.070 3.622 -8.227 1.00 0.00 C ATOM 1148 CD LYS A 72 0.287 2.194 -8.645 1.00 0.00 C ATOM 1149 CE LYS A 72 0.581 2.160 -10.147 1.00 0.00 C ATOM 1150 NZ LYS A 72 0.784 0.719 -10.469 1.00 0.00 N ATOM 0 H LYS A 72 -3.393 4.515 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.746 2.059 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.127 3.164 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.900 4.751 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.207 4.323 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.494 3.903 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.156 1.846 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.535 1.518 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.246 2.580 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.467 2.747 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.990 0.616 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.581 0.348 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.078 0.186 -10.235 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.417 2.930 -4.630 1.00 0.00 N ATOM 1165 CA GLU A 73 0.499 3.468 -3.582 1.00 0.00 C ATOM 1166 C GLU A 73 1.670 4.206 -4.237 1.00 0.00 C ATOM 1167 O GLU A 73 2.592 3.600 -4.746 1.00 0.00 O ATOM 1168 CB GLU A 73 0.991 2.242 -2.809 1.00 0.00 C ATOM 1169 CG GLU A 73 2.239 2.607 -2.001 1.00 0.00 C ATOM 1170 CD GLU A 73 2.854 1.337 -1.412 1.00 0.00 C ATOM 1171 OE1 GLU A 73 2.746 0.300 -2.045 1.00 0.00 O ATOM 1172 OE2 GLU A 73 3.423 1.422 -0.335 1.00 0.00 O ATOM 0 H GLU A 73 -0.580 1.924 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 73 0.003 4.182 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.207 1.882 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.218 1.431 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.964 3.113 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.978 3.302 -1.203 1.00 0.00 H new ATOM 1179 N CYS A 74 1.637 5.511 -4.224 1.00 0.00 N ATOM 1180 CA CYS A 74 2.743 6.296 -4.843 1.00 0.00 C ATOM 1181 C CYS A 74 2.457 7.795 -4.711 1.00 0.00 C ATOM 1182 O CYS A 74 3.356 8.601 -4.574 1.00 0.00 O ATOM 1183 CB CYS A 74 2.750 5.882 -6.316 1.00 0.00 C ATOM 1184 SG CYS A 74 4.424 6.046 -6.982 1.00 0.00 S ATOM 0 H CYS A 74 0.890 6.069 -3.810 1.00 0.00 H new ATOM 0 HA CYS A 74 3.703 6.107 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.406 4.852 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.059 6.506 -6.883 1.00 0.00 H new ATOM 0 HG CYS A 74 4.521 7.162 -7.642 1.00 0.00 H new ATOM 1190 N TRP A 75 1.208 8.170 -4.754 1.00 0.00 N ATOM 1191 CA TRP A 75 0.852 9.613 -4.635 1.00 0.00 C ATOM 1192 C TRP A 75 0.988 10.072 -3.175 1.00 0.00 C ATOM 1193 O TRP A 75 0.583 9.386 -2.258 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.606 9.684 -5.129 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.425 10.606 -4.275 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.053 11.850 -3.898 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.739 10.378 -3.689 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.057 12.404 -3.126 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.118 11.535 -2.969 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.632 9.292 -3.715 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.336 11.613 -2.299 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.862 9.366 -3.039 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.213 10.525 -2.333 1.00 0.00 C ATOM 0 H TRP A 75 0.416 7.537 -4.867 1.00 0.00 H new ATOM 0 HA TRP A 75 1.503 10.268 -5.213 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.626 10.029 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.046 8.687 -5.117 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.122 12.333 -4.158 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.019 13.340 -2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.371 8.396 -4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.602 12.508 -1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.540 8.526 -3.064 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.160 10.577 -1.816 1.00 0.00 H new ATOM 1214 N ASP A 76 1.549 11.232 -2.959 1.00 0.00 N ATOM 1215 CA ASP A 76 1.702 11.735 -1.564 1.00 0.00 C ATOM 1216 C ASP A 76 0.633 12.789 -1.260 1.00 0.00 C ATOM 1217 O ASP A 76 0.670 13.890 -1.775 1.00 0.00 O ATOM 1218 CB ASP A 76 3.093 12.367 -1.515 1.00 0.00 C ATOM 1219 CG ASP A 76 3.207 13.436 -2.603 1.00 0.00 C ATOM 1220 OD1 ASP A 76 2.938 13.118 -3.750 1.00 0.00 O ATOM 1221 OD2 ASP A 76 3.561 14.555 -2.272 1.00 0.00 O ATOM 0 H ASP A 76 1.907 11.851 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 76 1.588 10.938 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.268 12.811 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.857 11.603 -1.660 1.00 0.00 H new ATOM 1226 N ARG A 77 -0.310 12.469 -0.417 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.367 13.463 -0.071 1.00 0.00 C ATOM 1228 C ARG A 77 -0.898 14.308 1.114 1.00 0.00 C ATOM 1229 O ARG A 77 -1.389 15.393 1.354 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.595 12.632 0.304 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.818 13.547 0.432 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.883 14.496 -0.770 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.068 15.677 -0.375 1.00 0.00 N ATOM 1234 CZ ARG A 77 -2.650 16.516 -1.283 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -3.494 17.027 -2.138 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -1.388 16.844 -1.339 1.00 0.00 N ATOM 0 H ARG A 77 -0.395 11.564 0.047 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.588 14.146 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.776 11.870 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.419 12.110 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.728 12.949 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.760 14.120 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.484 14.024 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.911 14.782 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.836 15.831 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.480 16.771 -2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.167 17.683 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.727 16.444 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.063 17.500 -2.049 1.00 0.00 H new ATOM 1250 N ASP A 78 0.059 13.815 1.852 1.00 0.00 N ATOM 1251 CA ASP A 78 0.579 14.583 3.018 1.00 0.00 C ATOM 1252 C ASP A 78 1.838 15.351 2.608 1.00 0.00 C ATOM 1253 O ASP A 78 2.307 16.219 3.315 1.00 0.00 O ATOM 1254 CB ASP A 78 0.913 13.524 4.070 1.00 0.00 C ATOM 1255 CG ASP A 78 0.004 13.705 5.286 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -1.158 14.024 5.089 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.483 13.521 6.392 1.00 0.00 O ATOM 0 H ASP A 78 0.504 12.911 1.697 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.137 15.314 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.782 12.526 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.958 13.610 4.368 1.00 0.00 H new ATOM 1262 N GLY A 79 2.386 15.034 1.465 1.00 0.00 N ATOM 1263 CA GLY A 79 3.613 15.741 1.002 1.00 0.00 C ATOM 1264 C GLY A 79 4.781 14.756 0.934 1.00 0.00 C ATOM 1265 O GLY A 79 5.859 15.087 0.480 1.00 0.00 O ATOM 0 H GLY A 79 2.036 14.315 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.441 16.184 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.853 16.558 1.683 1.00 0.00 H new ATOM 1269 N LYS A 80 4.578 13.546 1.380 1.00 0.00 N ATOM 1270 CA LYS A 80 5.682 12.543 1.337 1.00 0.00 C ATOM 1271 C LYS A 80 5.323 11.402 0.383 1.00 0.00 C ATOM 1272 O LYS A 80 5.891 11.265 -0.681 1.00 0.00 O ATOM 1273 CB LYS A 80 5.815 12.027 2.775 1.00 0.00 C ATOM 1274 CG LYS A 80 5.707 13.196 3.759 1.00 0.00 C ATOM 1275 CD LYS A 80 6.728 14.276 3.396 1.00 0.00 C ATOM 1276 CE LYS A 80 8.079 13.940 4.031 1.00 0.00 C ATOM 1277 NZ LYS A 80 9.091 14.575 3.142 1.00 0.00 N ATOM 0 H LYS A 80 3.699 13.209 1.771 1.00 0.00 H new ATOM 0 HA LYS A 80 6.616 12.974 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.036 11.293 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.772 11.520 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.700 13.612 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.882 12.845 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.831 14.344 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.383 15.249 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.146 14.330 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.229 12.862 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.935 13.969 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.690 14.695 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.356 15.505 3.526 1.00 0.00 H new ATOM 1291 N GLU A 81 4.381 10.586 0.758 1.00 0.00 N ATOM 1292 CA GLU A 81 3.976 9.449 -0.120 1.00 0.00 C ATOM 1293 C GLU A 81 3.014 8.527 0.636 1.00 0.00 C ATOM 1294 O GLU A 81 3.350 7.975 1.664 1.00 0.00 O ATOM 1295 CB GLU A 81 5.276 8.715 -0.457 1.00 0.00 C ATOM 1296 CG GLU A 81 5.412 8.589 -1.976 1.00 0.00 C ATOM 1297 CD GLU A 81 5.397 7.110 -2.369 1.00 0.00 C ATOM 1298 OE1 GLU A 81 4.686 6.355 -1.726 1.00 0.00 O ATOM 1299 OE2 GLU A 81 6.095 6.759 -3.306 1.00 0.00 O ATOM 0 H GLU A 81 3.870 10.655 1.638 1.00 0.00 H new ATOM 0 HA GLU A 81 3.461 9.783 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.129 9.257 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.277 7.726 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.595 9.116 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.339 9.055 -2.309 1.00 0.00 H new ATOM 1306 N ARG A 82 1.819 8.362 0.140 1.00 0.00 N ATOM 1307 CA ARG A 82 0.838 7.481 0.837 1.00 0.00 C ATOM 1308 C ARG A 82 0.570 6.221 0.009 1.00 0.00 C ATOM 1309 O ARG A 82 1.101 6.051 -1.071 1.00 0.00 O ATOM 1310 CB ARG A 82 -0.432 8.324 0.957 1.00 0.00 C ATOM 1311 CG ARG A 82 -0.094 9.667 1.610 1.00 0.00 C ATOM 1312 CD ARG A 82 0.339 9.437 3.061 1.00 0.00 C ATOM 1313 NE ARG A 82 -0.930 9.208 3.806 1.00 0.00 N ATOM 1314 CZ ARG A 82 -0.938 9.255 5.111 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -0.594 8.203 5.802 1.00 0.00 N ATOM 1316 NH2 ARG A 82 -1.290 10.353 5.723 1.00 0.00 N ATOM 0 H ARG A 82 1.479 8.798 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 82 1.202 7.147 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.868 8.486 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.177 7.796 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.703 10.162 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.961 10.327 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.006 8.579 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.878 10.299 3.454 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.793 9.015 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.319 7.345 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.600 8.238 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.559 11.175 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.296 10.389 6.742 1.00 0.00 H new ATOM 1330 N VAL A 83 -0.250 5.336 0.508 1.00 0.00 N ATOM 1331 CA VAL A 83 -0.551 4.086 -0.248 1.00 0.00 C ATOM 1332 C VAL A 83 -2.000 4.100 -0.745 1.00 0.00 C ATOM 1333 O VAL A 83 -2.741 5.031 -0.498 1.00 0.00 O ATOM 1334 CB VAL A 83 -0.341 2.955 0.757 1.00 0.00 C ATOM 1335 CG1 VAL A 83 1.133 2.902 1.159 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -1.199 3.210 1.998 1.00 0.00 C ATOM 0 H VAL A 83 -0.725 5.424 1.407 1.00 0.00 H new ATOM 0 HA VAL A 83 0.084 3.974 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.630 2.006 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.286 2.096 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.745 2.722 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.421 3.850 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.050 2.403 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.910 4.158 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.250 3.251 1.712 1.00 0.00 H new ATOM 1346 N THR A 84 -2.410 3.073 -1.441 1.00 0.00 N ATOM 1347 CA THR A 84 -3.810 3.030 -1.950 1.00 0.00 C ATOM 1348 C THR A 84 -4.797 3.185 -0.789 1.00 0.00 C ATOM 1349 O THR A 84 -5.902 3.658 -0.962 1.00 0.00 O ATOM 1350 CB THR A 84 -3.956 1.653 -2.603 1.00 0.00 C ATOM 1351 OG1 THR A 84 -5.312 1.452 -2.975 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.529 0.567 -1.616 1.00 0.00 C ATOM 0 H THR A 84 -1.836 2.264 -1.678 1.00 0.00 H new ATOM 0 HA THR A 84 -4.019 3.835 -2.654 1.00 0.00 H new ATOM 0 HB THR A 84 -3.322 1.601 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.663 2.270 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.634 -0.412 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.489 0.723 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.159 0.614 -0.728 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.403 2.794 0.392 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.318 2.925 1.562 1.00 0.00 C ATOM 1362 C GLY A 85 -5.575 4.406 1.836 1.00 0.00 C ATOM 1363 O GLY A 85 -6.573 4.778 2.422 1.00 0.00 O ATOM 0 H GLY A 85 -3.489 2.390 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.258 2.411 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.876 2.452 2.439 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.678 5.256 1.414 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.865 6.717 1.645 1.00 0.00 C ATOM 1369 C GLU A 86 -5.930 7.271 0.695 1.00 0.00 C ATOM 1370 O GLU A 86 -6.217 6.695 -0.336 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.498 7.338 1.344 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.645 8.849 1.152 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.921 9.510 2.502 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -4.010 8.792 3.485 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -4.039 10.724 2.533 1.00 0.00 O ATOM 0 H GLU A 86 -3.823 5.001 0.919 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.201 6.938 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.807 7.132 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.074 6.888 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.736 9.261 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.459 9.061 0.458 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.513 8.389 1.033 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.556 8.988 0.150 1.00 0.00 C ATOM 1384 C GLU A 87 -7.677 10.491 0.428 1.00 0.00 C ATOM 1385 O GLU A 87 -7.195 10.985 1.427 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.853 8.264 0.514 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.025 8.252 2.034 1.00 0.00 C ATOM 1388 CD GLU A 87 -8.869 6.822 2.556 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -9.748 6.018 2.294 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -7.874 6.556 3.210 1.00 0.00 O ATOM 0 H GLU A 87 -6.312 8.915 1.884 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.317 8.878 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.703 8.761 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.831 7.243 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.285 8.903 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.006 8.643 2.302 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.313 11.221 -0.449 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.453 12.690 -0.227 1.00 0.00 C ATOM 1399 C TRP A 88 -9.850 13.163 -0.662 1.00 0.00 C ATOM 1400 O TRP A 88 -10.450 12.617 -1.567 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.323 13.315 -1.074 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.868 14.261 -2.102 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.695 13.914 -3.116 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.637 15.693 -2.234 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.987 15.042 -3.861 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.357 16.164 -3.356 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -6.881 16.618 -1.493 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.328 17.508 -3.732 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -6.848 17.971 -1.869 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.570 18.415 -2.985 1.00 0.00 C ATOM 0 H TRP A 88 -8.740 10.866 -1.305 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.364 12.981 0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.628 13.845 -0.422 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.757 12.525 -1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.066 12.919 -3.311 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.593 15.046 -4.682 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.323 16.287 -0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.887 17.845 -4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.263 18.674 -1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.541 19.457 -3.268 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.363 14.179 -0.023 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.713 14.699 -0.390 1.00 0.00 C ATOM 1423 C LEU A 89 -11.578 16.102 -0.994 1.00 0.00 C ATOM 1424 O LEU A 89 -11.012 16.992 -0.393 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.485 14.736 0.935 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.807 15.498 0.768 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.540 17.002 0.783 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.470 15.108 -0.557 1.00 0.00 C ATOM 0 H LEU A 89 -9.904 14.674 0.741 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.221 14.085 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.685 13.720 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.877 15.215 1.703 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.473 15.240 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.481 17.540 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.080 17.280 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.868 17.260 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.408 15.653 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.805 15.357 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.670 14.036 -0.562 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.083 16.303 -2.182 1.00 0.00 N ATOM 1441 CA VAL A 90 -11.967 17.646 -2.823 1.00 0.00 C ATOM 1442 C VAL A 90 -13.310 18.384 -2.790 1.00 0.00 C ATOM 1443 O VAL A 90 -14.342 17.838 -3.131 1.00 0.00 O ATOM 1444 CB VAL A 90 -11.553 17.357 -4.266 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.749 16.802 -5.040 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.075 18.651 -4.928 1.00 0.00 C ATOM 0 H VAL A 90 -12.570 15.598 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.250 18.283 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.746 16.625 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.453 16.596 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.091 15.880 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.557 17.533 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.780 18.446 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.883 19.383 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.222 19.047 -4.378 1.00 0.00 H new ATOM 1456 N THR A 91 -13.301 19.626 -2.385 1.00 0.00 N ATOM 1457 CA THR A 91 -14.566 20.409 -2.332 1.00 0.00 C ATOM 1458 C THR A 91 -14.339 21.811 -2.906 1.00 0.00 C ATOM 1459 O THR A 91 -14.587 22.806 -2.255 1.00 0.00 O ATOM 1460 CB THR A 91 -14.912 20.494 -0.848 1.00 0.00 C ATOM 1461 OG1 THR A 91 -14.248 19.452 -0.148 1.00 0.00 O ATOM 1462 CG2 THR A 91 -16.419 20.351 -0.672 1.00 0.00 C ATOM 0 H THR A 91 -12.467 20.133 -2.088 1.00 0.00 H new ATOM 0 HA THR A 91 -15.364 19.948 -2.914 1.00 0.00 H new ATOM 0 HB THR A 91 -14.591 21.457 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.197 19.678 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.669 20.411 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.926 21.152 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.742 19.387 -1.067 1.00 0.00 H new ATOM 1470 N THR A 92 -13.866 21.898 -4.119 1.00 0.00 N ATOM 1471 CA THR A 92 -13.623 23.236 -4.729 1.00 0.00 C ATOM 1472 C THR A 92 -14.801 23.636 -5.620 1.00 0.00 C ATOM 1473 O THR A 92 -15.121 22.965 -6.581 1.00 0.00 O ATOM 1474 CB THR A 92 -12.352 23.063 -5.564 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.261 22.766 -4.704 1.00 0.00 O ATOM 1476 CG2 THR A 92 -12.061 24.353 -6.333 1.00 0.00 C ATOM 0 H THR A 92 -13.637 21.101 -4.714 1.00 0.00 H new ATOM 0 HA THR A 92 -13.516 24.019 -3.978 1.00 0.00 H new ATOM 0 HB THR A 92 -12.492 22.246 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.884 21.894 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.155 24.226 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.898 24.580 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.921 25.173 -5.629 1.00 0.00 H new ATOM 1484 N VAL A 93 -15.451 24.726 -5.309 1.00 0.00 N ATOM 1485 CA VAL A 93 -16.607 25.166 -6.144 1.00 0.00 C ATOM 1486 C VAL A 93 -16.205 25.193 -7.618 1.00 0.00 C ATOM 1487 O VAL A 93 -15.153 25.685 -7.973 1.00 0.00 O ATOM 1488 CB VAL A 93 -16.943 26.572 -5.650 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -18.260 27.031 -6.277 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -17.085 26.555 -4.126 1.00 0.00 C ATOM 0 H VAL A 93 -15.233 25.329 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 93 -17.461 24.494 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 93 -16.145 27.258 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -18.500 28.034 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -18.162 27.041 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -19.058 26.345 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -17.325 27.558 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -17.884 25.869 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -16.148 26.226 -3.677 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.030 24.662 -8.481 1.00 0.00 N ATOM 1501 CA GLY A 94 -16.682 24.654 -9.929 1.00 0.00 C ATOM 1502 C GLY A 94 -15.252 24.142 -10.089 1.00 0.00 C ATOM 1503 O GLY A 94 -14.299 24.890 -9.982 1.00 0.00 O ATOM 0 H GLY A 94 -17.926 24.235 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.375 24.018 -10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.772 25.658 -10.344 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.087 22.872 -10.341 1.00 0.00 N ATOM 1508 CA ALA A 95 -13.709 22.325 -10.498 1.00 0.00 C ATOM 1509 C ALA A 95 -13.745 20.816 -10.755 1.00 0.00 C ATOM 1510 O ALA A 95 -14.676 20.134 -10.381 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.013 22.624 -9.173 1.00 0.00 C ATOM 0 H ALA A 95 -15.841 22.193 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.191 22.771 -11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.989 22.251 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.002 23.701 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.550 22.134 -8.361 1.00 0.00 H new ATOM 1517 N TYR A 96 -12.732 20.296 -11.393 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.695 18.833 -11.684 1.00 0.00 C ATOM 1519 C TYR A 96 -11.311 18.264 -11.354 1.00 0.00 C ATOM 1520 O TYR A 96 -10.444 18.188 -12.201 1.00 0.00 O ATOM 1521 CB TYR A 96 -12.971 18.737 -13.185 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.036 17.286 -13.612 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.310 16.281 -12.674 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.823 16.949 -14.953 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.369 14.941 -13.081 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.883 15.609 -15.358 1.00 0.00 C ATOM 1527 CZ TYR A 96 -13.156 14.606 -14.423 1.00 0.00 C ATOM 1528 OH TYR A 96 -13.215 13.286 -14.823 1.00 0.00 O ATOM 0 H TYR A 96 -11.925 20.823 -11.727 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.416 18.268 -11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.911 19.236 -13.422 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.187 19.252 -13.740 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.476 16.539 -11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.612 17.722 -15.677 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.579 14.166 -12.358 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -12.718 15.351 -16.394 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.045 13.228 -15.786 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.094 17.867 -10.129 1.00 0.00 N ATOM 1539 CA LEU A 97 -9.761 17.309 -9.753 1.00 0.00 C ATOM 1540 C LEU A 97 -9.855 15.796 -9.529 1.00 0.00 C ATOM 1541 O LEU A 97 -10.062 15.345 -8.420 1.00 0.00 O ATOM 1542 CB LEU A 97 -9.387 18.021 -8.451 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.639 19.522 -8.599 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -9.101 20.257 -7.368 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -8.923 20.037 -9.850 1.00 0.00 C ATOM 0 H LEU A 97 -11.779 17.904 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.017 17.465 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.975 17.623 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.339 17.839 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.710 19.702 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.281 21.327 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.608 19.891 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.030 20.077 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.102 21.107 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.852 19.855 -9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.305 19.516 -10.728 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.692 15.062 -10.597 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.753 13.581 -10.520 1.00 0.00 C ATOM 1559 C PRO A 98 -8.500 13.029 -9.833 1.00 0.00 C ATOM 1560 O PRO A 98 -8.396 11.848 -9.564 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.807 13.149 -11.983 1.00 0.00 C ATOM 1562 CG PRO A 98 -9.172 14.272 -12.740 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.438 15.535 -11.962 1.00 0.00 C ATOM 0 HA PRO A 98 -10.601 13.216 -9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.269 12.214 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.834 12.984 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.100 14.105 -12.850 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.588 14.343 -13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.585 16.213 -11.998 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.294 16.078 -12.362 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.549 13.875 -9.545 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.302 13.402 -8.871 1.00 0.00 C ATOM 1573 C ALA A 99 -5.485 12.513 -9.816 1.00 0.00 C ATOM 1574 O ALA A 99 -5.911 12.196 -10.908 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.781 12.599 -7.661 1.00 0.00 C ATOM 0 H ALA A 99 -7.580 14.874 -9.747 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.656 14.231 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.919 12.217 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.370 13.242 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.395 11.764 -7.998 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.315 12.107 -9.399 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.473 11.238 -10.271 1.00 0.00 C ATOM 1583 C VAL A 100 -3.706 9.763 -9.925 1.00 0.00 C ATOM 1584 O VAL A 100 -4.100 8.975 -10.761 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.029 11.641 -9.965 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.102 11.093 -11.052 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -1.918 13.167 -9.933 1.00 0.00 C ATOM 0 H VAL A 100 -3.907 12.339 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.711 11.360 -11.328 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.740 11.232 -8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.074 11.381 -10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.176 10.006 -11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.394 11.501 -12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.889 13.452 -9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.210 13.573 -10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.576 13.564 -9.160 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.470 9.383 -8.698 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.683 7.960 -8.302 1.00 0.00 C ATOM 1599 C PHE A 101 -4.900 7.841 -7.381 1.00 0.00 C ATOM 1600 O PHE A 101 -4.814 7.297 -6.298 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.415 7.557 -7.545 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.248 7.500 -8.498 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.356 6.791 -9.699 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.052 8.155 -8.177 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.269 6.736 -10.580 1.00 0.00 C ATOM 1606 CE2 PHE A 101 1.034 8.101 -9.057 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.926 7.392 -10.259 1.00 0.00 C ATOM 0 H PHE A 101 -3.139 9.996 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.866 7.322 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.212 8.274 -6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.557 6.586 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.278 6.286 -9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.032 8.702 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.352 6.188 -11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.956 8.606 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.764 7.351 -10.939 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.031 8.348 -7.790 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.235 8.256 -6.915 1.00 0.00 C ATOM 1619 C GLU A 102 -8.493 7.973 -7.741 1.00 0.00 C ATOM 1620 O GLU A 102 -8.552 8.249 -8.923 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.336 9.623 -6.240 1.00 0.00 C ATOM 1622 CG GLU A 102 -7.654 9.437 -4.755 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.695 10.801 -4.065 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -7.441 11.790 -4.734 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -7.982 10.836 -2.880 1.00 0.00 O ATOM 0 H GLU A 102 -6.174 8.818 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.150 7.443 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.399 10.168 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.113 10.220 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.612 8.930 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.900 8.804 -4.288 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.506 7.434 -7.116 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.771 7.137 -7.846 1.00 0.00 C ATOM 1634 C GLU A 103 -11.966 7.645 -7.034 1.00 0.00 C ATOM 1635 O GLU A 103 -11.994 7.538 -5.823 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.817 5.614 -7.973 1.00 0.00 C ATOM 1637 CG GLU A 103 -10.622 4.978 -6.594 1.00 0.00 C ATOM 1638 CD GLU A 103 -11.274 3.594 -6.572 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -12.481 3.527 -6.739 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -10.556 2.625 -6.387 1.00 0.00 O ATOM 0 H GLU A 103 -9.511 7.186 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.811 7.621 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.772 5.303 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.039 5.272 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.559 4.894 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.063 5.611 -5.824 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.949 8.202 -7.685 1.00 0.00 N ATOM 1648 CA VAL A 104 -14.133 8.719 -6.942 1.00 0.00 C ATOM 1649 C VAL A 104 -15.036 7.565 -6.502 1.00 0.00 C ATOM 1650 O VAL A 104 -15.284 6.637 -7.246 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.862 9.623 -7.932 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.356 8.791 -9.113 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -16.056 10.276 -7.235 1.00 0.00 C ATOM 0 H VAL A 104 -12.984 8.322 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.845 9.254 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.181 10.395 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.877 9.436 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.506 8.321 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.038 8.020 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.579 10.923 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.736 9.503 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.705 10.869 -6.390 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.525 7.618 -5.294 1.00 0.00 N ATOM 1664 CA LEU A 105 -16.412 6.529 -4.796 1.00 0.00 C ATOM 1665 C LEU A 105 -17.863 7.016 -4.737 1.00 0.00 C ATOM 1666 O LEU A 105 -18.790 6.232 -4.699 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.891 6.210 -3.394 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.362 6.134 -3.421 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.776 7.525 -3.166 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.879 5.173 -2.334 1.00 0.00 C ATOM 0 H LEU A 105 -15.348 8.370 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 105 -16.400 5.653 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -16.215 6.977 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.306 5.264 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.035 5.774 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.688 7.470 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.119 8.212 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.104 7.885 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.791 5.119 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.207 5.532 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.295 4.182 -2.514 1.00 0.00 H new ATOM 1682 N ASP A 106 -18.065 8.305 -4.728 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.455 8.842 -4.672 1.00 0.00 C ATOM 1684 C ASP A 106 -19.439 10.370 -4.761 1.00 0.00 C ATOM 1685 O ASP A 106 -18.425 11.005 -4.553 1.00 0.00 O ATOM 1686 CB ASP A 106 -20.000 8.390 -3.318 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.044 8.827 -2.207 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -18.077 9.505 -2.516 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -19.294 8.477 -1.065 1.00 0.00 O ATOM 0 H ASP A 106 -17.328 9.010 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.068 8.484 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.988 8.819 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.117 7.306 -3.305 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.559 10.962 -5.071 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.620 12.448 -5.178 1.00 0.00 C ATOM 1696 C LEU A 107 -21.644 12.998 -4.180 1.00 0.00 C ATOM 1697 O LEU A 107 -22.680 12.405 -3.956 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.066 12.714 -6.616 1.00 0.00 C ATOM 1699 CG LEU A 107 -21.585 14.146 -6.740 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -21.124 14.742 -8.072 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -23.115 14.138 -6.690 1.00 0.00 C ATOM 0 H LEU A 107 -21.438 10.479 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.668 12.928 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -20.231 12.559 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -21.847 12.009 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 107 -21.195 14.747 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -21.494 15.763 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.035 14.746 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.515 14.142 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -23.487 15.159 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -23.503 13.538 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -23.446 13.712 -5.743 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.364 14.121 -3.571 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.333 14.685 -2.583 1.00 0.00 C ATOM 1715 C VAL A 108 -22.441 16.205 -2.732 1.00 0.00 C ATOM 1716 O VAL A 108 -21.575 16.847 -3.284 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.745 14.333 -1.218 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.423 15.080 -1.027 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.726 14.750 -0.120 1.00 0.00 C ATOM 0 H VAL A 108 -20.515 14.668 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.337 14.284 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.569 13.259 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.001 14.830 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.724 14.788 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.601 16.154 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.308 14.500 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.899 15.825 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.670 14.223 -0.256 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.498 16.785 -2.231 1.00 0.00 N ATOM 1730 CA ASP A 109 -23.656 18.265 -2.327 1.00 0.00 C ATOM 1731 C ASP A 109 -23.518 18.887 -0.933 1.00 0.00 C ATOM 1732 O ASP A 109 -24.302 18.616 -0.045 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.065 18.483 -2.881 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.079 19.731 -3.768 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -24.270 19.796 -4.678 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -25.901 20.598 -3.523 1.00 0.00 O ATOM 0 H ASP A 109 -24.260 16.298 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.901 18.727 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.380 17.612 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.775 18.598 -2.062 1.00 0.00 H new ATOM 1741 N ALA A 110 -22.524 19.710 -0.725 1.00 0.00 N ATOM 1742 CA ALA A 110 -22.347 20.327 0.622 1.00 0.00 C ATOM 1743 C ALA A 110 -23.554 21.201 0.980 1.00 0.00 C ATOM 1744 O ALA A 110 -23.806 21.480 2.136 1.00 0.00 O ATOM 1745 CB ALA A 110 -21.086 21.180 0.505 1.00 0.00 C ATOM 0 H ALA A 110 -21.832 19.980 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 110 -22.263 19.575 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -20.888 21.669 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -20.241 20.545 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -21.228 21.936 -0.267 1.00 0.00 H new