USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl -122:sc= -0.0351 (180deg=-1.2) USER MOD Set 1.2: A 144 MET CE :methyl -176:sc= -0.328 (180deg=-0.192) USER MOD Set 1.3: A 145 MET CE :methyl 156:sc=-0.00955 (180deg=-0.0557) USER MOD Set 2.1: A 107 HIS :FLIP no HD1:sc= 0.0391 F(o=-1.3,f=0.065) USER MOD Set 2.2: A 111 ASN : amide:sc= 0.0263 K(o=0.065,f=-1.3!) USER MOD Set 3.1: A 51 MET CE :methyl 159:sc= -0.23 (180deg=-0.538) USER MOD Set 3.2: A 71 MET CE :methyl -172:sc= -0.684 (180deg=-1.19) USER MOD Set 4.1: A 26 THR OG1 : rot -170:sc= 0.602 USER MOD Set 4.2: A 60 ASN : amide:sc= 1.03 K(o=3.6,f=-3!) USER MOD Set 4.3: A 62 THR OG1 : rot -49:sc= 1.95 USER MOD Set 5.1: A 29 THR OG1 : rot 175:sc= 1.21 USER MOD Set 5.2: A 49 GLN : amide:sc= 0.987 K(o=2.6,f=-1.5!) USER MOD Set 5.3: A 53 ASN : amide:sc= 0.423 K(o=2.6,f=-3.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 8 GLN :FLIP amide:sc= 1.16 F(o=-0.34,f=1.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -83:sc= 1.21 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 66:sc= 0.0972 USER MOD Single : A 36 MET CE :methyl -136:sc= -0.494 (180deg=-2.13!) USER MOD Single : A 38 SER OG : rot 72:sc= 0.871 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.49 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.554 (180deg=-1.03) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.98) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00722 USER MOD Single : A 110 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc=-0.00606 K(o=-0.0061,f=-0.63) USER MOD Single : A 137 ASN : amide:sc= 0.599 K(o=0.6,f=-5.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.013 F(o=-1.7!,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.425 15.460 -0.214 1.00 0.00 N ATOM 59 CA THR A 5 -12.069 16.610 -0.769 1.00 0.00 C ATOM 60 C THR A 5 -13.453 16.354 -1.257 1.00 0.00 C ATOM 61 O THR A 5 -13.811 15.197 -1.472 1.00 0.00 O ATOM 62 CB THR A 5 -11.282 17.193 -1.905 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.347 16.476 -3.129 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.827 17.501 -1.512 1.00 0.00 C ATOM 0 HA THR A 5 -12.124 17.312 0.063 1.00 0.00 H new ATOM 0 HB THR A 5 -11.792 18.134 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.805 16.934 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.300 17.921 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.816 18.219 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.333 16.582 -1.197 1.00 0.00 H new ATOM 72 N GLU A 6 -14.327 17.361 -1.430 1.00 0.00 N ATOM 73 CA GLU A 6 -15.644 17.179 -1.956 1.00 0.00 C ATOM 74 C GLU A 6 -15.674 16.385 -3.217 1.00 0.00 C ATOM 75 O GLU A 6 -16.532 15.514 -3.354 1.00 0.00 O ATOM 76 CB GLU A 6 -16.388 18.515 -2.120 1.00 0.00 C ATOM 77 CG GLU A 6 -16.415 19.278 -0.794 1.00 0.00 C ATOM 78 CD GLU A 6 -17.723 20.042 -0.650 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.737 19.416 -0.240 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.754 21.280 -0.881 1.00 0.00 O ATOM 0 H GLU A 6 -14.111 18.330 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.176 16.588 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.899 19.119 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.407 18.332 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.300 18.581 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.575 19.971 -0.748 1.00 0.00 H new ATOM 87 N GLU A 7 -14.782 16.638 -4.191 1.00 0.00 N ATOM 88 CA GLU A 7 -14.557 16.019 -5.460 1.00 0.00 C ATOM 89 C GLU A 7 -14.257 14.577 -5.231 1.00 0.00 C ATOM 90 O GLU A 7 -14.853 13.796 -5.971 1.00 0.00 O ATOM 91 CB GLU A 7 -13.336 16.640 -6.159 1.00 0.00 C ATOM 92 CG GLU A 7 -13.240 16.358 -7.660 1.00 0.00 C ATOM 93 CD GLU A 7 -12.026 17.067 -8.243 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.869 16.796 -7.824 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.255 17.935 -9.128 1.00 0.00 O ATOM 0 H GLU A 7 -14.116 17.400 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.443 16.157 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.359 17.719 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.432 16.270 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.163 15.285 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.146 16.698 -8.162 1.00 0.00 H new ATOM 102 N GLN A 8 -13.374 14.240 -4.275 1.00 0.00 N ATOM 103 CA GLN A 8 -13.208 12.889 -3.835 1.00 0.00 C ATOM 104 C GLN A 8 -14.389 12.172 -3.276 1.00 0.00 C ATOM 105 O GLN A 8 -14.816 11.108 -3.720 1.00 0.00 O ATOM 106 CB GLN A 8 -12.036 12.740 -2.850 1.00 0.00 C ATOM 107 CG GLN A 8 -10.697 13.181 -3.443 1.00 0.00 C ATOM 108 CD GLN A 8 -9.543 13.112 -2.453 1.00 0.00 C ATOM 109 OE1 GLN A 8 -8.428 12.397 -2.759 1.00 0.00 O flip ATOM 110 NE2 GLN A 8 -9.561 13.824 -1.449 1.00 0.00 N flip ATOM 0 H GLN A 8 -12.769 14.911 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.011 12.396 -4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.243 13.329 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.963 11.699 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.465 12.553 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.790 14.203 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.397 14.361 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.739 13.877 -0.847 1.00 0.00 H new ATOM 119 N ILE A 9 -15.108 12.839 -2.355 1.00 0.00 N ATOM 120 CA ILE A 9 -16.327 12.370 -1.771 1.00 0.00 C ATOM 121 C ILE A 9 -17.368 12.199 -2.823 1.00 0.00 C ATOM 122 O ILE A 9 -18.095 11.216 -2.694 1.00 0.00 O ATOM 123 CB ILE A 9 -16.789 13.337 -0.723 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.751 13.347 0.413 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.221 13.125 -0.204 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.873 14.467 1.444 1.00 0.00 C ATOM 0 H ILE A 9 -14.824 13.752 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.152 11.401 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.854 14.316 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.812 12.394 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.758 13.402 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.450 13.879 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.925 13.213 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.304 12.133 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.085 14.362 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.776 15.432 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.845 14.407 1.933 1.00 0.00 H new ATOM 138 N ALA A 10 -17.534 13.110 -3.799 1.00 0.00 N ATOM 139 CA ALA A 10 -18.458 12.963 -4.880 1.00 0.00 C ATOM 140 C ALA A 10 -18.291 11.699 -5.652 1.00 0.00 C ATOM 141 O ALA A 10 -19.208 10.908 -5.868 1.00 0.00 O ATOM 142 CB ALA A 10 -18.462 14.165 -5.839 1.00 0.00 C ATOM 0 H ALA A 10 -17.005 13.981 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.428 12.916 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.184 13.991 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.736 15.067 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.468 14.290 -6.270 1.00 0.00 H new ATOM 148 N GLU A 11 -17.047 11.426 -6.085 1.00 0.00 N ATOM 149 CA GLU A 11 -16.637 10.296 -6.859 1.00 0.00 C ATOM 150 C GLU A 11 -16.839 9.043 -6.079 1.00 0.00 C ATOM 151 O GLU A 11 -17.321 8.066 -6.650 1.00 0.00 O ATOM 152 CB GLU A 11 -15.157 10.475 -7.236 1.00 0.00 C ATOM 153 CG GLU A 11 -14.698 9.344 -8.159 1.00 0.00 C ATOM 154 CD GLU A 11 -13.484 9.799 -8.956 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.701 10.541 -9.951 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.308 9.555 -8.576 1.00 0.00 O ATOM 0 H GLU A 11 -16.266 12.047 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.235 10.223 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.015 11.436 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.545 10.487 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.450 8.460 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.505 9.062 -8.835 1.00 0.00 H new ATOM 163 N PHE A 12 -16.599 9.033 -4.755 1.00 0.00 N ATOM 164 CA PHE A 12 -16.896 7.883 -3.959 1.00 0.00 C ATOM 165 C PHE A 12 -18.337 7.524 -3.834 1.00 0.00 C ATOM 166 O PHE A 12 -18.681 6.343 -3.863 1.00 0.00 O ATOM 167 CB PHE A 12 -16.234 8.066 -2.584 1.00 0.00 C ATOM 168 CG PHE A 12 -14.763 8.268 -2.456 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.929 8.051 -3.528 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.257 8.670 -1.242 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.592 8.362 -3.445 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.909 8.927 -1.151 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.101 8.857 -2.260 1.00 0.00 C ATOM 0 H PHE A 12 -16.201 9.817 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.483 7.025 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.715 8.922 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.488 7.188 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.327 7.634 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.901 8.781 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.940 8.220 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.480 9.187 -0.195 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.076 9.192 -2.201 1.00 0.00 H new ATOM 183 N LYS A 13 -19.217 8.523 -3.644 1.00 0.00 N ATOM 184 CA LYS A 13 -20.646 8.465 -3.632 1.00 0.00 C ATOM 185 C LYS A 13 -21.167 7.933 -4.922 1.00 0.00 C ATOM 186 O LYS A 13 -21.786 6.875 -4.829 1.00 0.00 O ATOM 187 CB LYS A 13 -21.348 9.807 -3.366 1.00 0.00 C ATOM 188 CG LYS A 13 -22.824 9.623 -3.008 1.00 0.00 C ATOM 189 CD LYS A 13 -23.422 10.908 -2.432 1.00 0.00 C ATOM 190 CE LYS A 13 -24.875 10.952 -1.957 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.376 12.316 -1.676 1.00 0.00 N ATOM 0 H LYS A 13 -18.888 9.475 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.876 7.803 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.840 10.326 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.266 10.440 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.381 9.327 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.926 8.815 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.800 11.199 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.310 11.682 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.508 10.493 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.970 10.348 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.365 12.264 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.797 12.752 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.319 12.892 -2.540 1.00 0.00 H new ATOM 205 N GLU A 14 -20.778 8.502 -6.078 1.00 0.00 N ATOM 206 CA GLU A 14 -21.137 7.915 -7.331 1.00 0.00 C ATOM 207 C GLU A 14 -20.699 6.512 -7.575 1.00 0.00 C ATOM 208 O GLU A 14 -21.474 5.722 -8.112 1.00 0.00 O ATOM 209 CB GLU A 14 -20.473 8.704 -8.472 1.00 0.00 C ATOM 210 CG GLU A 14 -21.078 10.107 -8.537 1.00 0.00 C ATOM 211 CD GLU A 14 -22.352 10.175 -9.367 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.238 9.859 -10.581 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.399 10.635 -8.838 1.00 0.00 O ATOM 0 H GLU A 14 -20.223 9.355 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.226 7.935 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.397 8.767 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.621 8.188 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.293 10.450 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.342 10.793 -8.956 1.00 0.00 H new ATOM 220 N ALA A 15 -19.474 6.268 -7.076 1.00 0.00 N ATOM 221 CA ALA A 15 -18.876 4.970 -7.101 1.00 0.00 C ATOM 222 C ALA A 15 -19.659 3.956 -6.340 1.00 0.00 C ATOM 223 O ALA A 15 -20.034 2.973 -6.976 1.00 0.00 O ATOM 224 CB ALA A 15 -17.415 4.964 -6.622 1.00 0.00 C ATOM 0 H ALA A 15 -18.889 6.985 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.884 4.689 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.022 3.948 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.819 5.612 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.367 5.327 -5.595 1.00 0.00 H new ATOM 230 N PHE A 16 -19.859 4.202 -5.032 1.00 0.00 N ATOM 231 CA PHE A 16 -20.674 3.512 -4.081 1.00 0.00 C ATOM 232 C PHE A 16 -21.979 3.019 -4.605 1.00 0.00 C ATOM 233 O PHE A 16 -22.432 1.877 -4.552 1.00 0.00 O ATOM 234 CB PHE A 16 -20.812 4.432 -2.857 1.00 0.00 C ATOM 235 CG PHE A 16 -21.382 3.748 -1.662 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.607 3.052 -0.764 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.737 3.836 -1.442 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.216 2.401 0.282 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.331 3.149 -0.409 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.582 2.366 0.438 1.00 0.00 C ATOM 0 H PHE A 16 -19.385 4.989 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.182 2.579 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.832 4.835 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.446 5.279 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.534 3.017 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.343 4.453 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.598 1.897 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.398 3.225 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.047 1.750 1.193 1.00 0.00 H new ATOM 250 N SER A 17 -22.687 3.965 -5.246 1.00 0.00 N ATOM 251 CA SER A 17 -23.949 3.635 -5.832 1.00 0.00 C ATOM 252 C SER A 17 -23.915 2.763 -7.039 1.00 0.00 C ATOM 253 O SER A 17 -24.801 1.933 -7.238 1.00 0.00 O ATOM 254 CB SER A 17 -24.705 4.914 -6.230 1.00 0.00 C ATOM 255 OG SER A 17 -25.013 5.681 -5.076 1.00 0.00 O ATOM 0 H SER A 17 -22.396 4.936 -5.358 1.00 0.00 H new ATOM 0 HA SER A 17 -24.443 3.066 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.099 5.505 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.622 4.653 -6.758 1.00 0.00 H new ATOM 0 HG SER A 17 -25.493 6.493 -5.342 1.00 0.00 H new ATOM 261 N LEU A 18 -22.875 2.912 -7.879 1.00 0.00 N ATOM 262 CA LEU A 18 -22.582 1.893 -8.837 1.00 0.00 C ATOM 263 C LEU A 18 -22.344 0.540 -8.259 1.00 0.00 C ATOM 264 O LEU A 18 -22.652 -0.459 -8.907 1.00 0.00 O ATOM 265 CB LEU A 18 -21.541 2.340 -9.878 1.00 0.00 C ATOM 266 CG LEU A 18 -21.658 1.659 -11.252 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.998 1.602 -12.005 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.543 2.222 -12.149 1.00 0.00 C ATOM 0 H LEU A 18 -22.250 3.718 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.507 1.753 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.627 3.418 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.545 2.148 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.562 0.601 -11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.861 1.079 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.733 1.071 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -23.350 2.615 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.599 1.758 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.666 3.300 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.573 2.008 -11.701 1.00 0.00 H new ATOM 280 N PHE A 19 -21.882 0.477 -6.998 1.00 0.00 N ATOM 281 CA PHE A 19 -21.639 -0.814 -6.433 1.00 0.00 C ATOM 282 C PHE A 19 -22.882 -1.430 -5.890 1.00 0.00 C ATOM 283 O PHE A 19 -23.101 -2.631 -6.041 1.00 0.00 O ATOM 284 CB PHE A 19 -20.521 -0.884 -5.380 1.00 0.00 C ATOM 285 CG PHE A 19 -19.197 -0.411 -5.873 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.581 -0.922 -6.992 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.515 0.482 -5.081 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.375 -0.421 -7.421 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.262 0.907 -5.455 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.685 0.458 -6.619 1.00 0.00 C ATOM 0 H PHE A 19 -21.685 1.275 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.278 -1.391 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.811 -0.286 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.423 -1.914 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.050 -1.726 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.962 0.848 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.973 -0.715 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.725 1.602 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.698 0.793 -6.902 1.00 0.00 H new ATOM 300 N ASP A 20 -23.687 -0.649 -5.148 1.00 0.00 N ATOM 301 CA ASP A 20 -24.908 -0.980 -4.481 1.00 0.00 C ATOM 302 C ASP A 20 -25.936 -1.283 -5.516 1.00 0.00 C ATOM 303 O ASP A 20 -26.464 -0.381 -6.164 1.00 0.00 O ATOM 304 CB ASP A 20 -25.399 0.107 -3.510 1.00 0.00 C ATOM 305 CG ASP A 20 -26.632 -0.325 -2.729 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.172 -1.433 -2.990 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.048 0.344 -1.746 1.00 0.00 O ATOM 0 H ASP A 20 -23.450 0.332 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.724 -1.851 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.599 0.355 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.626 1.014 -4.070 1.00 0.00 H new ATOM 312 N LYS A 21 -26.266 -2.574 -5.699 1.00 0.00 N ATOM 313 CA LYS A 21 -26.968 -3.070 -6.842 1.00 0.00 C ATOM 314 C LYS A 21 -28.441 -2.876 -6.732 1.00 0.00 C ATOM 315 O LYS A 21 -29.079 -2.404 -7.672 1.00 0.00 O ATOM 316 CB LYS A 21 -26.700 -4.578 -6.981 1.00 0.00 C ATOM 317 CG LYS A 21 -26.905 -5.022 -8.431 1.00 0.00 C ATOM 318 CD LYS A 21 -26.408 -6.466 -8.512 1.00 0.00 C ATOM 319 CE LYS A 21 -26.470 -7.176 -9.865 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.774 -6.424 -10.933 1.00 0.00 N ATOM 0 H LYS A 21 -26.034 -3.302 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.610 -2.513 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.682 -4.804 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.369 -5.135 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.956 -4.956 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.350 -4.381 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.371 -6.481 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.983 -7.057 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.024 -8.166 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.513 -7.321 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.845 -6.947 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.215 -5.488 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.772 -6.307 -10.679 1.00 0.00 H new ATOM 334 N ASP A 22 -29.045 -3.306 -5.610 1.00 0.00 N ATOM 335 CA ASP A 22 -30.439 -3.186 -5.316 1.00 0.00 C ATOM 336 C ASP A 22 -30.801 -1.815 -4.857 1.00 0.00 C ATOM 337 O ASP A 22 -31.860 -1.329 -5.252 1.00 0.00 O ATOM 338 CB ASP A 22 -30.799 -4.359 -4.388 1.00 0.00 C ATOM 339 CG ASP A 22 -29.804 -4.668 -3.278 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.001 -3.816 -2.813 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.871 -5.848 -2.842 1.00 0.00 O ATOM 0 H ASP A 22 -28.527 -3.766 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 22 -31.065 -3.278 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.767 -4.151 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.920 -5.254 -4.998 1.00 0.00 H new ATOM 346 N GLY A 23 -29.922 -1.134 -4.100 1.00 0.00 N ATOM 347 CA GLY A 23 -30.203 0.193 -3.648 1.00 0.00 C ATOM 348 C GLY A 23 -30.696 0.355 -2.251 1.00 0.00 C ATOM 349 O GLY A 23 -31.672 1.054 -1.984 1.00 0.00 O ATOM 0 H GLY A 23 -29.019 -1.501 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.293 0.784 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.945 0.627 -4.319 1.00 0.00 H new ATOM 353 N ASP A 24 -30.071 -0.307 -1.261 1.00 0.00 N ATOM 354 CA ASP A 24 -30.587 -0.398 0.070 1.00 0.00 C ATOM 355 C ASP A 24 -29.754 0.402 1.011 1.00 0.00 C ATOM 356 O ASP A 24 -30.001 0.533 2.209 1.00 0.00 O ATOM 357 CB ASP A 24 -30.784 -1.840 0.569 1.00 0.00 C ATOM 358 CG ASP A 24 -29.550 -2.728 0.629 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.509 -2.348 0.030 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.602 -3.807 1.278 1.00 0.00 O ATOM 0 H ASP A 24 -29.183 -0.792 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.590 0.028 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.218 -1.796 1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.518 -2.324 -0.076 1.00 0.00 H new ATOM 365 N GLY A 25 -28.730 1.081 0.464 1.00 0.00 N ATOM 366 CA GLY A 25 -27.948 2.063 1.148 1.00 0.00 C ATOM 367 C GLY A 25 -26.673 1.422 1.579 1.00 0.00 C ATOM 368 O GLY A 25 -25.948 2.109 2.296 1.00 0.00 O ATOM 0 H GLY A 25 -28.434 0.938 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.745 2.911 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.491 2.448 2.011 1.00 0.00 H new ATOM 372 N THR A 26 -26.304 0.197 1.164 1.00 0.00 N ATOM 373 CA THR A 26 -25.119 -0.479 1.593 1.00 0.00 C ATOM 374 C THR A 26 -24.634 -1.454 0.577 1.00 0.00 C ATOM 375 O THR A 26 -25.343 -2.026 -0.250 1.00 0.00 O ATOM 376 CB THR A 26 -25.269 -1.018 2.985 1.00 0.00 C ATOM 377 OG1 THR A 26 -24.087 -1.678 3.414 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.406 -2.052 2.960 1.00 0.00 C ATOM 0 H THR A 26 -26.856 -0.346 0.500 1.00 0.00 H new ATOM 0 HA THR A 26 -24.310 0.248 1.666 1.00 0.00 H new ATOM 0 HB THR A 26 -25.473 -0.192 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 26 -24.263 -2.151 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.543 -2.466 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 26 -27.329 -1.570 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.153 -2.854 2.266 1.00 0.00 H new ATOM 386 N ILE A 27 -23.321 -1.737 0.649 1.00 0.00 N ATOM 387 CA ILE A 27 -22.587 -2.683 -0.133 1.00 0.00 C ATOM 388 C ILE A 27 -22.501 -3.917 0.697 1.00 0.00 C ATOM 389 O ILE A 27 -21.963 -3.862 1.802 1.00 0.00 O ATOM 390 CB ILE A 27 -21.180 -2.423 -0.583 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.043 -0.969 -1.065 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.938 -3.354 -1.783 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.575 -0.592 -1.264 1.00 0.00 C ATOM 0 H ILE A 27 -22.719 -1.257 1.318 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.148 -2.690 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.473 -2.594 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.585 -0.840 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.499 -0.297 -0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.924 -3.210 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.066 -4.391 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.652 -3.122 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.508 0.441 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.041 -0.698 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.128 -1.250 -2.009 1.00 0.00 H new ATOM 405 N THR A 28 -22.988 -5.053 0.167 1.00 0.00 N ATOM 406 CA THR A 28 -22.904 -6.264 0.923 1.00 0.00 C ATOM 407 C THR A 28 -21.730 -7.119 0.590 1.00 0.00 C ATOM 408 O THR A 28 -20.875 -6.748 -0.213 1.00 0.00 O ATOM 409 CB THR A 28 -24.128 -7.123 0.805 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.569 -7.420 -0.511 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.310 -6.377 1.446 1.00 0.00 C ATOM 0 H THR A 28 -23.425 -5.135 -0.751 1.00 0.00 H new ATOM 0 HA THR A 28 -22.797 -5.896 1.943 1.00 0.00 H new ATOM 0 HB THR A 28 -23.837 -8.059 1.281 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.109 -6.676 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.210 -6.987 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.091 -6.183 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.468 -5.431 0.927 1.00 0.00 H new ATOM 419 N THR A 29 -21.512 -8.285 1.224 1.00 0.00 N ATOM 420 CA THR A 29 -20.456 -9.185 0.878 1.00 0.00 C ATOM 421 C THR A 29 -20.563 -9.724 -0.506 1.00 0.00 C ATOM 422 O THR A 29 -19.559 -9.953 -1.179 1.00 0.00 O ATOM 423 CB THR A 29 -20.312 -10.321 1.847 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.390 -9.747 3.143 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.971 -11.065 1.730 1.00 0.00 C ATOM 0 H THR A 29 -22.087 -8.611 2.000 1.00 0.00 H new ATOM 0 HA THR A 29 -19.558 -8.569 0.930 1.00 0.00 H new ATOM 0 HB THR A 29 -21.092 -11.054 1.641 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.379 -10.458 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.938 -11.873 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.871 -11.479 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.152 -10.371 1.919 1.00 0.00 H new ATOM 433 N LYS A 30 -21.779 -9.911 -1.051 1.00 0.00 N ATOM 434 CA LYS A 30 -22.043 -10.395 -2.371 1.00 0.00 C ATOM 435 C LYS A 30 -21.597 -9.465 -3.446 1.00 0.00 C ATOM 436 O LYS A 30 -21.219 -9.926 -4.522 1.00 0.00 O ATOM 437 CB LYS A 30 -23.492 -10.874 -2.565 1.00 0.00 C ATOM 438 CG LYS A 30 -24.043 -11.700 -1.400 1.00 0.00 C ATOM 439 CD LYS A 30 -25.207 -12.584 -1.851 1.00 0.00 C ATOM 440 CE LYS A 30 -25.344 -13.718 -0.833 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.937 -13.257 0.442 1.00 0.00 N ATOM 0 H LYS A 30 -22.635 -9.710 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.419 -11.283 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.133 -10.005 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.546 -11.470 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.250 -12.322 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.376 -11.034 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.129 -12.005 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.021 -12.984 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.964 -14.509 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.362 -14.151 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.010 -14.059 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.333 -12.520 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.885 -12.868 0.263 1.00 0.00 H new ATOM 455 N GLU A 31 -21.822 -8.174 -3.144 1.00 0.00 N ATOM 456 CA GLU A 31 -21.770 -7.039 -4.012 1.00 0.00 C ATOM 457 C GLU A 31 -20.360 -6.558 -4.006 1.00 0.00 C ATOM 458 O GLU A 31 -19.691 -6.355 -5.018 1.00 0.00 O ATOM 459 CB GLU A 31 -22.663 -5.912 -3.467 1.00 0.00 C ATOM 460 CG GLU A 31 -24.184 -6.064 -3.534 1.00 0.00 C ATOM 461 CD GLU A 31 -24.972 -5.005 -2.775 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.091 -5.015 -1.520 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.765 -4.317 -3.472 1.00 0.00 O ATOM 0 H GLU A 31 -22.065 -7.900 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.111 -7.310 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.395 -5.758 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.401 -4.999 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.490 -6.043 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.453 -7.045 -3.143 1.00 0.00 H new ATOM 470 N LEU A 32 -19.687 -6.431 -2.849 1.00 0.00 N ATOM 471 CA LEU A 32 -18.270 -6.326 -2.689 1.00 0.00 C ATOM 472 C LEU A 32 -17.480 -7.426 -3.310 1.00 0.00 C ATOM 473 O LEU A 32 -16.367 -7.140 -3.747 1.00 0.00 O ATOM 474 CB LEU A 32 -17.778 -5.957 -1.279 1.00 0.00 C ATOM 475 CG LEU A 32 -16.573 -5.003 -1.213 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.729 -3.564 -1.733 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.218 -4.990 0.284 1.00 0.00 C ATOM 0 H LEU A 32 -20.175 -6.399 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.052 -5.442 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.606 -5.503 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.517 -6.876 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.814 -5.379 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.787 -3.029 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.001 -3.586 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.510 -3.055 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.363 -4.335 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.071 -4.626 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.969 -6.001 0.608 1.00 0.00 H new ATOM 489 N GLY A 33 -17.896 -8.704 -3.350 1.00 0.00 N ATOM 490 CA GLY A 33 -17.353 -9.720 -4.199 1.00 0.00 C ATOM 491 C GLY A 33 -17.511 -9.548 -5.670 1.00 0.00 C ATOM 492 O GLY A 33 -16.601 -9.842 -6.444 1.00 0.00 O ATOM 0 H GLY A 33 -18.652 -9.047 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.288 -9.804 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.810 -10.670 -3.921 1.00 0.00 H new ATOM 496 N THR A 34 -18.641 -8.976 -6.123 1.00 0.00 N ATOM 497 CA THR A 34 -18.701 -8.458 -7.454 1.00 0.00 C ATOM 498 C THR A 34 -17.723 -7.383 -7.785 1.00 0.00 C ATOM 499 O THR A 34 -17.109 -7.380 -8.851 1.00 0.00 O ATOM 500 CB THR A 34 -20.101 -8.015 -7.761 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.060 -9.051 -7.611 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.258 -7.617 -9.238 1.00 0.00 C ATOM 0 H THR A 34 -19.498 -8.873 -5.580 1.00 0.00 H new ATOM 0 HA THR A 34 -18.403 -9.288 -8.094 1.00 0.00 H new ATOM 0 HB THR A 34 -20.268 -7.194 -7.064 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.119 -9.308 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.285 -7.302 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.579 -6.795 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.021 -8.471 -9.872 1.00 0.00 H new ATOM 510 N VAL A 35 -17.353 -6.466 -6.874 1.00 0.00 N ATOM 511 CA VAL A 35 -16.378 -5.454 -7.139 1.00 0.00 C ATOM 512 C VAL A 35 -15.102 -6.152 -7.464 1.00 0.00 C ATOM 513 O VAL A 35 -14.584 -5.936 -8.558 1.00 0.00 O ATOM 514 CB VAL A 35 -16.178 -4.569 -5.944 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.976 -3.620 -6.079 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.489 -3.791 -5.735 1.00 0.00 C ATOM 0 H VAL A 35 -17.740 -6.427 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.710 -4.822 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.942 -5.186 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.891 -3.010 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.065 -4.203 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.119 -2.973 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.388 -3.132 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.704 -3.196 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.305 -4.493 -5.562 1.00 0.00 H new ATOM 526 N MET A 36 -14.530 -6.999 -6.590 1.00 0.00 N ATOM 527 CA MET A 36 -13.457 -7.890 -6.907 1.00 0.00 C ATOM 528 C MET A 36 -13.524 -8.625 -8.201 1.00 0.00 C ATOM 529 O MET A 36 -12.546 -8.545 -8.944 1.00 0.00 O ATOM 530 CB MET A 36 -13.335 -8.845 -5.708 1.00 0.00 C ATOM 531 CG MET A 36 -12.707 -8.397 -4.386 1.00 0.00 C ATOM 532 SD MET A 36 -10.907 -8.178 -4.523 1.00 0.00 S ATOM 533 CE MET A 36 -11.257 -6.412 -4.757 1.00 0.00 C ATOM 0 H MET A 36 -14.829 -7.066 -5.617 1.00 0.00 H new ATOM 0 HA MET A 36 -12.569 -7.280 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.342 -9.194 -5.478 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.768 -9.711 -6.050 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.163 -7.459 -4.068 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.924 -9.135 -3.614 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.645 -6.024 -5.571 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.311 -6.279 -5.001 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.026 -5.871 -3.840 1.00 0.00 H new ATOM 543 N ARG A 37 -14.590 -9.373 -8.534 1.00 0.00 N ATOM 544 CA ARG A 37 -14.799 -9.967 -9.818 1.00 0.00 C ATOM 545 C ARG A 37 -14.702 -8.980 -10.930 1.00 0.00 C ATOM 546 O ARG A 37 -14.181 -9.292 -12.000 1.00 0.00 O ATOM 547 CB ARG A 37 -16.106 -10.770 -9.930 1.00 0.00 C ATOM 548 CG ARG A 37 -16.234 -11.907 -8.914 1.00 0.00 C ATOM 549 CD ARG A 37 -15.256 -13.062 -9.136 1.00 0.00 C ATOM 550 NE ARG A 37 -15.245 -13.986 -7.968 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.535 -15.152 -7.977 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.881 -15.665 -9.059 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.498 -15.921 -6.850 1.00 0.00 N ATOM 0 H ARG A 37 -15.343 -9.574 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.980 -10.679 -9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.949 -10.090 -9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.178 -11.186 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.080 -11.503 -7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.252 -12.296 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.535 -13.611 -10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.253 -12.667 -9.301 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.784 -13.741 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.900 -15.168 -9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.373 -16.546 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.998 -15.623 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.971 -16.794 -6.845 1.00 0.00 H new ATOM 567 N SER A 38 -15.184 -7.734 -10.772 1.00 0.00 N ATOM 568 CA SER A 38 -15.143 -6.770 -11.827 1.00 0.00 C ATOM 569 C SER A 38 -13.774 -6.249 -12.103 1.00 0.00 C ATOM 570 O SER A 38 -13.497 -5.630 -13.130 1.00 0.00 O ATOM 571 CB SER A 38 -16.061 -5.574 -11.522 1.00 0.00 C ATOM 572 OG SER A 38 -17.378 -6.079 -11.365 1.00 0.00 O ATOM 0 H SER A 38 -15.605 -7.393 -9.908 1.00 0.00 H new ATOM 0 HA SER A 38 -15.488 -7.304 -12.712 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.736 -5.062 -10.616 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.023 -4.845 -12.332 1.00 0.00 H new ATOM 0 HG SER A 38 -17.442 -6.568 -10.518 1.00 0.00 H new ATOM 578 N LEU A 39 -12.778 -6.467 -11.227 1.00 0.00 N ATOM 579 CA LEU A 39 -11.412 -6.142 -11.501 1.00 0.00 C ATOM 580 C LEU A 39 -10.634 -7.369 -11.830 1.00 0.00 C ATOM 581 O LEU A 39 -9.410 -7.422 -11.939 1.00 0.00 O ATOM 582 CB LEU A 39 -10.827 -5.329 -10.334 1.00 0.00 C ATOM 583 CG LEU A 39 -11.791 -4.196 -9.941 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.459 -3.658 -8.539 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.679 -3.009 -10.913 1.00 0.00 C ATOM 0 H LEU A 39 -12.925 -6.879 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.349 -5.509 -12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.652 -5.981 -9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.861 -4.912 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.795 -4.619 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.153 -2.858 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.548 -4.463 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.440 -3.271 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.372 -2.224 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.661 -2.620 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.925 -3.340 -11.922 1.00 0.00 H new ATOM 597 N GLY A 40 -11.374 -8.472 -12.046 1.00 0.00 N ATOM 598 CA GLY A 40 -10.766 -9.741 -12.302 1.00 0.00 C ATOM 599 C GLY A 40 -9.970 -10.281 -11.163 1.00 0.00 C ATOM 600 O GLY A 40 -9.018 -11.040 -11.338 1.00 0.00 O ATOM 0 H GLY A 40 -12.394 -8.485 -12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.545 -10.459 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.117 -9.651 -13.173 1.00 0.00 H new ATOM 604 N GLN A 41 -10.301 -9.805 -9.950 1.00 0.00 N ATOM 605 CA GLN A 41 -9.640 -10.233 -8.757 1.00 0.00 C ATOM 606 C GLN A 41 -10.395 -11.377 -8.172 1.00 0.00 C ATOM 607 O GLN A 41 -11.581 -11.604 -8.405 1.00 0.00 O ATOM 608 CB GLN A 41 -9.311 -9.069 -7.807 1.00 0.00 C ATOM 609 CG GLN A 41 -8.294 -8.054 -8.333 1.00 0.00 C ATOM 610 CD GLN A 41 -7.966 -6.942 -7.348 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.165 -5.744 -7.545 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.236 -7.292 -6.254 1.00 0.00 N ATOM 0 H GLN A 41 -11.036 -9.115 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.645 -10.613 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.236 -8.542 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.934 -9.482 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.374 -8.578 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.680 -7.611 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.050 -8.276 -6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.874 -6.571 -5.630 1.00 0.00 H new ATOM 621 N ASN A 42 -9.646 -12.316 -7.565 1.00 0.00 N ATOM 622 CA ASN A 42 -10.107 -13.589 -7.106 1.00 0.00 C ATOM 623 C ASN A 42 -10.341 -13.528 -5.635 1.00 0.00 C ATOM 624 O ASN A 42 -9.358 -13.767 -4.935 1.00 0.00 O ATOM 625 CB ASN A 42 -9.099 -14.707 -7.418 1.00 0.00 C ATOM 626 CG ASN A 42 -8.881 -14.962 -8.903 1.00 0.00 C ATOM 627 OD1 ASN A 42 -9.780 -15.213 -9.704 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.599 -14.872 -9.349 1.00 0.00 N ATOM 0 H ASN A 42 -8.652 -12.175 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.035 -13.820 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.142 -14.455 -6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.442 -15.630 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.392 -15.012 -10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.845 -14.664 -8.695 1.00 0.00 H new ATOM 635 N PRO A 43 -11.435 -13.243 -4.993 1.00 0.00 N ATOM 636 CA PRO A 43 -11.465 -13.178 -3.561 1.00 0.00 C ATOM 637 C PRO A 43 -11.743 -14.474 -2.880 1.00 0.00 C ATOM 638 O PRO A 43 -12.093 -15.479 -3.496 1.00 0.00 O ATOM 639 CB PRO A 43 -12.608 -12.204 -3.281 1.00 0.00 C ATOM 640 CG PRO A 43 -13.611 -12.461 -4.417 1.00 0.00 C ATOM 641 CD PRO A 43 -12.624 -12.647 -5.581 1.00 0.00 C ATOM 0 HA PRO A 43 -10.489 -12.882 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.057 -12.387 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.260 -11.171 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.226 -13.344 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.292 -11.624 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.045 -13.291 -6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.391 -11.693 -6.054 1.00 0.00 H new ATOM 649 N THR A 44 -11.734 -14.485 -1.535 1.00 0.00 N ATOM 650 CA THR A 44 -12.328 -15.506 -0.728 1.00 0.00 C ATOM 651 C THR A 44 -13.265 -14.843 0.221 1.00 0.00 C ATOM 652 O THR A 44 -12.958 -13.747 0.686 1.00 0.00 O ATOM 653 CB THR A 44 -11.386 -16.383 0.042 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.357 -15.714 0.757 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.775 -17.285 -1.044 1.00 0.00 C ATOM 0 H THR A 44 -11.292 -13.748 -0.985 1.00 0.00 H new ATOM 0 HA THR A 44 -12.819 -16.187 -1.423 1.00 0.00 H new ATOM 0 HB THR A 44 -11.930 -16.901 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.802 -16.373 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.064 -17.973 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.567 -17.853 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.261 -16.669 -1.782 1.00 0.00 H new ATOM 663 N GLU A 45 -14.417 -15.498 0.456 1.00 0.00 N ATOM 664 CA GLU A 45 -15.481 -14.916 1.212 1.00 0.00 C ATOM 665 C GLU A 45 -15.161 -14.419 2.580 1.00 0.00 C ATOM 666 O GLU A 45 -15.616 -13.369 3.032 1.00 0.00 O ATOM 667 CB GLU A 45 -16.549 -16.016 1.329 1.00 0.00 C ATOM 668 CG GLU A 45 -17.874 -15.572 1.954 1.00 0.00 C ATOM 669 CD GLU A 45 -19.059 -16.512 1.783 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.701 -16.425 0.703 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.444 -17.219 2.752 1.00 0.00 O ATOM 0 H GLU A 45 -14.611 -16.440 0.118 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.784 -14.014 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.750 -16.413 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.142 -16.834 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.712 -15.419 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.143 -14.605 1.530 1.00 0.00 H new ATOM 678 N ALA A 46 -14.354 -15.202 3.318 1.00 0.00 N ATOM 679 CA ALA A 46 -13.901 -14.794 4.612 1.00 0.00 C ATOM 680 C ALA A 46 -13.074 -13.557 4.550 1.00 0.00 C ATOM 681 O ALA A 46 -13.260 -12.608 5.311 1.00 0.00 O ATOM 682 CB ALA A 46 -13.110 -15.867 5.379 1.00 0.00 C ATOM 0 H ALA A 46 -14.015 -16.117 3.019 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.824 -14.607 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.806 -15.472 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.738 -16.746 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.225 -16.145 4.807 1.00 0.00 H new ATOM 688 N GLU A 47 -12.104 -13.475 3.622 1.00 0.00 N ATOM 689 CA GLU A 47 -11.221 -12.363 3.462 1.00 0.00 C ATOM 690 C GLU A 47 -11.895 -11.122 2.987 1.00 0.00 C ATOM 691 O GLU A 47 -11.634 -10.000 3.418 1.00 0.00 O ATOM 692 CB GLU A 47 -10.088 -12.776 2.507 1.00 0.00 C ATOM 693 CG GLU A 47 -9.167 -13.847 3.095 1.00 0.00 C ATOM 694 CD GLU A 47 -8.135 -13.337 4.090 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.021 -12.892 3.706 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.382 -13.597 5.298 1.00 0.00 O ATOM 0 H GLU A 47 -11.927 -14.222 2.950 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.825 -12.109 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.521 -13.148 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.496 -11.896 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.781 -14.602 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.645 -14.344 2.277 1.00 0.00 H new ATOM 703 N LEU A 48 -12.974 -11.307 2.206 1.00 0.00 N ATOM 704 CA LEU A 48 -13.888 -10.223 2.018 1.00 0.00 C ATOM 705 C LEU A 48 -14.620 -9.872 3.268 1.00 0.00 C ATOM 706 O LEU A 48 -14.603 -8.688 3.600 1.00 0.00 O ATOM 707 CB LEU A 48 -15.008 -10.647 1.053 1.00 0.00 C ATOM 708 CG LEU A 48 -14.669 -10.383 -0.423 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.563 -11.183 -1.385 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.868 -8.889 -0.732 1.00 0.00 C ATOM 0 H LEU A 48 -13.209 -12.173 1.721 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.282 -9.390 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.212 -11.709 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.922 -10.112 1.310 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.635 -10.693 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.281 -10.960 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.436 -12.249 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.606 -10.908 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.628 -8.699 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.905 -8.613 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.212 -8.295 -0.096 1.00 0.00 H new ATOM 722 N GLN A 49 -15.293 -10.802 3.969 1.00 0.00 N ATOM 723 CA GLN A 49 -16.041 -10.535 5.159 1.00 0.00 C ATOM 724 C GLN A 49 -15.224 -9.827 6.184 1.00 0.00 C ATOM 725 O GLN A 49 -15.648 -8.873 6.834 1.00 0.00 O ATOM 726 CB GLN A 49 -16.726 -11.818 5.656 1.00 0.00 C ATOM 727 CG GLN A 49 -17.870 -11.588 6.646 1.00 0.00 C ATOM 728 CD GLN A 49 -18.931 -10.720 5.985 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.766 -11.186 5.212 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.913 -9.377 6.200 1.00 0.00 N ATOM 0 H GLN A 49 -15.317 -11.784 3.694 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.844 -9.834 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.112 -12.364 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.977 -12.454 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.301 -12.542 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.496 -11.104 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.228 -8.972 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.585 -8.775 5.724 1.00 0.00 H new ATOM 739 N ASP A 50 -13.928 -10.182 6.256 1.00 0.00 N ATOM 740 CA ASP A 50 -12.890 -9.618 7.062 1.00 0.00 C ATOM 741 C ASP A 50 -12.621 -8.155 6.976 1.00 0.00 C ATOM 742 O ASP A 50 -12.771 -7.461 7.980 1.00 0.00 O ATOM 743 CB ASP A 50 -11.593 -10.383 6.751 1.00 0.00 C ATOM 744 CG ASP A 50 -10.645 -10.314 7.939 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.002 -9.234 8.029 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.600 -11.275 8.752 1.00 0.00 O ATOM 0 H ASP A 50 -13.572 -10.949 5.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.259 -9.729 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.822 -11.423 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.114 -9.958 5.869 1.00 0.00 H new ATOM 751 N MET A 51 -12.349 -7.698 5.741 1.00 0.00 N ATOM 752 CA MET A 51 -12.046 -6.330 5.458 1.00 0.00 C ATOM 753 C MET A 51 -13.234 -5.431 5.502 1.00 0.00 C ATOM 754 O MET A 51 -13.212 -4.212 5.661 1.00 0.00 O ATOM 755 CB MET A 51 -11.306 -5.978 4.157 1.00 0.00 C ATOM 756 CG MET A 51 -11.924 -6.334 2.803 1.00 0.00 C ATOM 757 SD MET A 51 -13.137 -5.111 2.222 1.00 0.00 S ATOM 758 CE MET A 51 -11.830 -4.006 1.613 1.00 0.00 C ATOM 0 H MET A 51 -12.340 -8.297 4.916 1.00 0.00 H new ATOM 0 HA MET A 51 -11.347 -6.165 6.278 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.136 -4.901 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.327 -6.456 4.202 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.130 -6.428 2.062 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.407 -7.308 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.245 -3.327 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.425 -3.429 2.444 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.034 -4.598 1.161 1.00 0.00 H new ATOM 768 N ILE A 52 -14.396 -6.022 5.172 1.00 0.00 N ATOM 769 CA ILE A 52 -15.671 -5.464 5.501 1.00 0.00 C ATOM 770 C ILE A 52 -15.884 -5.325 6.969 1.00 0.00 C ATOM 771 O ILE A 52 -16.087 -4.230 7.493 1.00 0.00 O ATOM 772 CB ILE A 52 -16.770 -6.304 4.920 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.890 -6.192 3.391 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.185 -5.927 5.388 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.668 -7.393 2.854 1.00 0.00 C ATOM 0 H ILE A 52 -14.451 -6.906 4.666 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.690 -4.463 5.071 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.470 -7.295 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.398 -5.266 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.899 -6.155 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.912 -6.588 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.250 -6.031 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.398 -4.895 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.754 -7.316 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.142 -8.312 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.664 -7.409 3.297 1.00 0.00 H new ATOM 787 N ASN A 53 -15.720 -6.376 7.792 1.00 0.00 N ATOM 788 CA ASN A 53 -16.002 -6.221 9.186 1.00 0.00 C ATOM 789 C ASN A 53 -15.104 -5.383 10.028 1.00 0.00 C ATOM 790 O ASN A 53 -15.430 -4.866 11.095 1.00 0.00 O ATOM 791 CB ASN A 53 -15.931 -7.536 9.980 1.00 0.00 C ATOM 792 CG ASN A 53 -17.205 -8.293 9.632 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.866 -8.091 8.614 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.562 -9.290 10.485 1.00 0.00 N ATOM 0 H ASN A 53 -15.403 -7.303 7.507 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.981 -5.758 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.046 -8.111 9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.869 -7.344 11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.376 -9.869 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.015 -9.459 11.329 1.00 0.00 H new ATOM 801 N GLU A 54 -13.867 -5.199 9.533 1.00 0.00 N ATOM 802 CA GLU A 54 -12.895 -4.342 10.137 1.00 0.00 C ATOM 803 C GLU A 54 -13.251 -2.895 10.117 1.00 0.00 C ATOM 804 O GLU A 54 -13.079 -2.288 11.173 1.00 0.00 O ATOM 805 CB GLU A 54 -11.529 -4.548 9.461 1.00 0.00 C ATOM 806 CG GLU A 54 -10.407 -3.910 10.283 1.00 0.00 C ATOM 807 CD GLU A 54 -9.032 -4.257 9.729 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.742 -5.481 9.802 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.332 -3.419 9.100 1.00 0.00 O ATOM 0 H GLU A 54 -13.533 -5.661 8.687 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.858 -4.627 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.336 -5.614 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.545 -4.113 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.533 -2.827 10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.478 -4.247 11.317 1.00 0.00 H new ATOM 816 N VAL A 55 -13.820 -2.391 9.008 1.00 0.00 N ATOM 817 CA VAL A 55 -14.203 -1.014 8.974 1.00 0.00 C ATOM 818 C VAL A 55 -15.670 -0.867 9.187 1.00 0.00 C ATOM 819 O VAL A 55 -16.195 0.238 9.052 1.00 0.00 O ATOM 820 CB VAL A 55 -13.635 -0.317 7.773 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.601 -0.734 6.651 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.516 1.210 7.914 1.00 0.00 C ATOM 0 H VAL A 55 -14.011 -2.919 8.157 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.755 -0.484 9.814 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.599 -0.604 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.285 -0.280 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.595 -1.819 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.609 -0.398 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.096 1.628 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.503 1.637 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.864 1.448 8.754 1.00 0.00 H new ATOM 832 N ASP A 56 -16.330 -1.947 9.641 1.00 0.00 N ATOM 833 CA ASP A 56 -17.704 -2.038 10.030 1.00 0.00 C ATOM 834 C ASP A 56 -17.963 -1.724 11.463 1.00 0.00 C ATOM 835 O ASP A 56 -17.502 -2.422 12.364 1.00 0.00 O ATOM 836 CB ASP A 56 -18.320 -3.397 9.657 1.00 0.00 C ATOM 837 CG ASP A 56 -19.842 -3.369 9.633 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.475 -2.293 9.803 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.428 -4.484 9.605 1.00 0.00 O ATOM 0 H ASP A 56 -15.853 -2.843 9.745 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.200 -1.256 9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.951 -3.701 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.986 -4.150 10.371 1.00 0.00 H new ATOM 844 N ALA A 57 -18.663 -0.580 11.573 1.00 0.00 N ATOM 845 CA ALA A 57 -18.999 0.168 12.745 1.00 0.00 C ATOM 846 C ALA A 57 -20.161 -0.440 13.452 1.00 0.00 C ATOM 847 O ALA A 57 -20.104 -0.882 14.599 1.00 0.00 O ATOM 848 CB ALA A 57 -19.264 1.656 12.462 1.00 0.00 C ATOM 0 H ALA A 57 -19.036 -0.129 10.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.122 0.123 13.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.513 2.165 13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.372 2.108 12.029 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.095 1.751 11.763 1.00 0.00 H new ATOM 854 N ASP A 58 -21.281 -0.508 12.711 1.00 0.00 N ATOM 855 CA ASP A 58 -22.509 -1.052 13.204 1.00 0.00 C ATOM 856 C ASP A 58 -22.444 -2.536 13.325 1.00 0.00 C ATOM 857 O ASP A 58 -23.189 -3.168 14.072 1.00 0.00 O ATOM 858 CB ASP A 58 -23.737 -0.526 12.443 1.00 0.00 C ATOM 859 CG ASP A 58 -23.568 -0.873 10.970 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.310 -1.997 10.462 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.704 0.060 10.134 1.00 0.00 O ATOM 0 H ASP A 58 -21.335 -0.178 11.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.647 -0.685 14.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.649 -0.974 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.831 0.552 12.571 1.00 0.00 H new ATOM 866 N GLY A 59 -21.511 -3.174 12.596 1.00 0.00 N ATOM 867 CA GLY A 59 -21.282 -4.585 12.609 1.00 0.00 C ATOM 868 C GLY A 59 -22.378 -5.495 12.171 1.00 0.00 C ATOM 869 O GLY A 59 -22.593 -6.530 12.799 1.00 0.00 O ATOM 0 H GLY A 59 -20.883 -2.678 11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.416 -4.784 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.007 -4.865 13.626 1.00 0.00 H new ATOM 873 N ASN A 60 -23.146 -5.093 11.143 1.00 0.00 N ATOM 874 CA ASN A 60 -24.089 -5.930 10.468 1.00 0.00 C ATOM 875 C ASN A 60 -23.469 -6.728 9.373 1.00 0.00 C ATOM 876 O ASN A 60 -24.079 -7.680 8.889 1.00 0.00 O ATOM 877 CB ASN A 60 -25.359 -5.202 9.996 1.00 0.00 C ATOM 878 CG ASN A 60 -25.073 -3.999 9.107 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.187 -3.969 8.255 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.020 -3.026 9.183 1.00 0.00 N ATOM 0 H ASN A 60 -23.109 -4.146 10.766 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.424 -6.631 11.232 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.990 -5.904 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.925 -4.874 10.867 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.006 -2.248 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.744 -3.074 9.899 1.00 0.00 H new ATOM 887 N GLY A 61 -22.240 -6.348 8.979 1.00 0.00 N ATOM 888 CA GLY A 61 -21.542 -7.094 7.979 1.00 0.00 C ATOM 889 C GLY A 61 -21.646 -6.592 6.580 1.00 0.00 C ATOM 890 O GLY A 61 -21.333 -7.258 5.595 1.00 0.00 O ATOM 0 H GLY A 61 -21.737 -5.539 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.487 -7.126 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.909 -8.120 8.001 1.00 0.00 H new ATOM 894 N THR A 62 -22.110 -5.335 6.463 1.00 0.00 N ATOM 895 CA THR A 62 -22.182 -4.634 5.218 1.00 0.00 C ATOM 896 C THR A 62 -21.621 -3.259 5.333 1.00 0.00 C ATOM 897 O THR A 62 -21.627 -2.747 6.451 1.00 0.00 O ATOM 898 CB THR A 62 -23.645 -4.468 4.934 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.328 -3.433 5.626 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.515 -5.718 5.155 1.00 0.00 C ATOM 0 H THR A 62 -22.445 -4.790 7.257 1.00 0.00 H new ATOM 0 HA THR A 62 -21.629 -5.182 4.455 1.00 0.00 H new ATOM 0 HB THR A 62 -23.554 -4.218 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.121 -3.487 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.553 -5.485 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.168 -6.522 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.441 -6.034 6.196 1.00 0.00 H new ATOM 908 N ILE A 63 -21.026 -2.654 4.290 1.00 0.00 N ATOM 909 CA ILE A 63 -20.360 -1.388 4.310 1.00 0.00 C ATOM 910 C ILE A 63 -21.335 -0.376 3.816 1.00 0.00 C ATOM 911 O ILE A 63 -21.655 -0.275 2.632 1.00 0.00 O ATOM 912 CB ILE A 63 -19.142 -1.327 3.437 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.180 -2.501 3.683 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.315 -0.119 3.910 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.020 -2.457 2.690 1.00 0.00 C ATOM 0 H ILE A 63 -21.010 -3.082 3.364 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.021 -1.207 5.330 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.488 -1.308 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.796 -2.457 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.716 -3.445 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.415 -0.034 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.908 0.790 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.035 -0.256 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.348 -3.295 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.408 -2.524 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.474 -1.521 2.809 1.00 0.00 H new ATOM 927 N ASP A 64 -21.936 0.405 4.731 1.00 0.00 N ATOM 928 CA ASP A 64 -22.658 1.626 4.546 1.00 0.00 C ATOM 929 C ASP A 64 -21.865 2.783 4.046 1.00 0.00 C ATOM 930 O ASP A 64 -20.638 2.789 4.137 1.00 0.00 O ATOM 931 CB ASP A 64 -23.417 2.048 5.816 1.00 0.00 C ATOM 932 CG ASP A 64 -24.228 0.916 6.429 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.618 -0.050 6.959 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.476 0.970 6.595 1.00 0.00 O ATOM 0 H ASP A 64 -21.911 0.146 5.717 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.358 1.372 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.704 2.417 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.084 2.876 5.576 1.00 0.00 H new ATOM 939 N PHE A 65 -22.476 3.824 3.453 1.00 0.00 N ATOM 940 CA PHE A 65 -21.721 4.898 2.886 1.00 0.00 C ATOM 941 C PHE A 65 -20.778 5.564 3.829 1.00 0.00 C ATOM 942 O PHE A 65 -19.659 5.711 3.340 1.00 0.00 O ATOM 943 CB PHE A 65 -22.664 5.887 2.180 1.00 0.00 C ATOM 944 CG PHE A 65 -21.974 6.957 1.406 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.958 6.642 0.535 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.305 8.288 1.500 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.320 7.590 -0.229 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.650 9.275 0.802 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.669 8.913 -0.092 1.00 0.00 C ATOM 0 H PHE A 65 -23.488 3.922 3.366 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.058 4.456 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.314 5.330 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.306 6.354 2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.649 5.611 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -23.117 8.572 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.552 7.299 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.901 10.315 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.174 9.667 -0.686 1.00 0.00 H new ATOM 959 N PRO A 66 -21.005 5.943 5.051 1.00 0.00 N ATOM 960 CA PRO A 66 -20.099 6.713 5.853 1.00 0.00 C ATOM 961 C PRO A 66 -18.934 5.917 6.331 1.00 0.00 C ATOM 962 O PRO A 66 -17.804 6.403 6.344 1.00 0.00 O ATOM 963 CB PRO A 66 -20.906 7.285 7.017 1.00 0.00 C ATOM 964 CG PRO A 66 -22.364 7.276 6.531 1.00 0.00 C ATOM 965 CD PRO A 66 -22.359 6.079 5.566 1.00 0.00 C ATOM 0 HA PRO A 66 -19.665 7.512 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.786 6.680 7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.579 8.295 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.069 7.139 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.635 8.205 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.667 5.169 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.065 6.239 4.752 1.00 0.00 H new ATOM 973 N GLU A 67 -19.103 4.600 6.543 1.00 0.00 N ATOM 974 CA GLU A 67 -18.085 3.596 6.583 1.00 0.00 C ATOM 975 C GLU A 67 -17.250 3.570 5.349 1.00 0.00 C ATOM 976 O GLU A 67 -16.038 3.385 5.457 1.00 0.00 O ATOM 977 CB GLU A 67 -18.635 2.214 6.971 1.00 0.00 C ATOM 978 CG GLU A 67 -19.430 2.179 8.278 1.00 0.00 C ATOM 979 CD GLU A 67 -20.324 0.974 8.531 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.616 0.315 7.497 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.738 0.596 9.659 1.00 0.00 O ATOM 0 H GLU A 67 -20.031 4.206 6.699 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.407 3.882 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.274 1.854 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.801 1.517 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.721 2.250 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.053 3.072 8.315 1.00 0.00 H new ATOM 988 N PHE A 68 -17.778 3.738 4.123 1.00 0.00 N ATOM 989 CA PHE A 68 -17.000 3.766 2.924 1.00 0.00 C ATOM 990 C PHE A 68 -16.116 4.958 2.788 1.00 0.00 C ATOM 991 O PHE A 68 -14.908 4.836 2.589 1.00 0.00 O ATOM 992 CB PHE A 68 -17.867 3.574 1.669 1.00 0.00 C ATOM 993 CG PHE A 68 -17.068 3.078 0.514 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.838 1.739 0.298 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.598 3.981 -0.410 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.173 1.289 -0.818 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.782 3.583 -1.442 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.650 2.234 -1.670 1.00 0.00 C ATOM 0 H PHE A 68 -18.778 3.858 3.961 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.329 2.912 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.669 2.868 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.338 4.521 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.189 1.022 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.875 5.021 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.065 0.233 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.262 4.306 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.117 1.904 -2.549 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.595 6.167 3.132 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.779 7.319 3.356 1.00 0.00 C ATOM 1010 C LEU A 69 -14.733 7.191 4.410 1.00 0.00 C ATOM 1011 O LEU A 69 -13.586 7.621 4.297 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.642 8.546 3.694 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.832 8.897 2.785 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.684 10.089 3.254 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.433 8.981 1.302 1.00 0.00 C ATOM 0 H LEU A 69 -17.591 6.349 3.259 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.250 7.434 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.029 8.407 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.983 9.414 3.722 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.509 8.048 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.497 10.256 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -19.099 9.875 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.061 10.982 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.309 9.231 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.673 9.751 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.034 8.020 0.977 1.00 0.00 H new ATOM 1027 N THR A 70 -15.120 6.566 5.536 1.00 0.00 N ATOM 1028 CA THR A 70 -14.179 6.133 6.522 1.00 0.00 C ATOM 1029 C THR A 70 -13.148 5.169 6.046 1.00 0.00 C ATOM 1030 O THR A 70 -11.949 5.366 6.238 1.00 0.00 O ATOM 1031 CB THR A 70 -14.807 5.500 7.728 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.666 6.421 8.385 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.819 5.086 8.830 1.00 0.00 C ATOM 0 H THR A 70 -16.092 6.359 5.765 1.00 0.00 H new ATOM 0 HA THR A 70 -13.704 7.081 6.775 1.00 0.00 H new ATOM 0 HB THR A 70 -15.307 4.623 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.471 6.560 7.844 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.366 4.638 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.110 4.361 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.279 5.964 9.183 1.00 0.00 H new ATOM 1041 N MET A 71 -13.515 4.174 5.218 1.00 0.00 N ATOM 1042 CA MET A 71 -12.638 3.322 4.476 1.00 0.00 C ATOM 1043 C MET A 71 -11.580 4.010 3.684 1.00 0.00 C ATOM 1044 O MET A 71 -10.406 3.657 3.790 1.00 0.00 O ATOM 1045 CB MET A 71 -13.330 2.293 3.567 1.00 0.00 C ATOM 1046 CG MET A 71 -12.370 1.321 2.877 1.00 0.00 C ATOM 1047 SD MET A 71 -13.266 0.243 1.720 1.00 0.00 S ATOM 1048 CE MET A 71 -13.863 -1.058 2.837 1.00 0.00 C ATOM 0 H MET A 71 -14.497 3.950 5.056 1.00 0.00 H new ATOM 0 HA MET A 71 -12.157 2.793 5.299 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.043 1.722 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.902 2.824 2.806 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.603 1.879 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.859 0.715 3.625 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.308 -1.864 2.253 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.028 -1.450 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.612 -0.643 3.511 1.00 0.00 H new ATOM 1058 N MET A 72 -11.987 4.940 2.802 1.00 0.00 N ATOM 1059 CA MET A 72 -11.051 5.616 1.958 1.00 0.00 C ATOM 1060 C MET A 72 -10.210 6.630 2.653 1.00 0.00 C ATOM 1061 O MET A 72 -9.054 6.887 2.321 1.00 0.00 O ATOM 1062 CB MET A 72 -11.777 6.407 0.856 1.00 0.00 C ATOM 1063 CG MET A 72 -12.685 5.526 -0.003 1.00 0.00 C ATOM 1064 SD MET A 72 -11.652 4.397 -0.985 1.00 0.00 S ATOM 1065 CE MET A 72 -10.285 5.390 -1.651 1.00 0.00 C ATOM 0 H MET A 72 -12.958 5.223 2.673 1.00 0.00 H new ATOM 0 HA MET A 72 -10.424 4.810 1.578 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.372 7.197 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.039 6.893 0.217 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.368 4.958 0.630 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.298 6.144 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.825 4.862 -2.486 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.667 6.351 -1.996 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.541 5.554 -0.871 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.620 7.130 3.832 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.825 7.990 4.653 1.00 0.00 C ATOM 1077 C ALA A 73 -8.870 7.181 5.462 1.00 0.00 C ATOM 1078 O ALA A 73 -7.723 7.593 5.624 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.676 8.881 5.573 1.00 0.00 C ATOM 0 H ALA A 73 -11.538 6.928 4.228 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.274 8.654 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.022 9.513 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.331 9.508 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.279 8.254 6.230 1.00 0.00 H new ATOM 1234 N GLU A 83 9.195 11.333 0.405 1.00 0.00 N ATOM 1235 CA GLU A 83 10.377 11.048 1.157 1.00 0.00 C ATOM 1236 C GLU A 83 10.281 9.759 1.898 1.00 0.00 C ATOM 1237 O GLU A 83 11.226 8.977 2.000 1.00 0.00 O ATOM 1238 CB GLU A 83 10.712 12.139 2.188 1.00 0.00 C ATOM 1239 CG GLU A 83 11.448 13.286 1.492 1.00 0.00 C ATOM 1240 CD GLU A 83 12.779 12.805 0.933 1.00 0.00 C ATOM 1241 OE1 GLU A 83 13.657 12.398 1.740 1.00 0.00 O ATOM 1242 OE2 GLU A 83 12.938 12.632 -0.305 1.00 0.00 O ATOM 0 HA GLU A 83 11.165 10.997 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.798 12.508 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.331 11.725 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.832 13.685 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.616 14.099 2.198 1.00 0.00 H new ATOM 1249 N GLU A 84 9.073 9.419 2.381 1.00 0.00 N ATOM 1250 CA GLU A 84 8.748 8.187 3.031 1.00 0.00 C ATOM 1251 C GLU A 84 8.926 6.947 2.223 1.00 0.00 C ATOM 1252 O GLU A 84 9.655 6.054 2.651 1.00 0.00 O ATOM 1253 CB GLU A 84 7.350 8.148 3.671 1.00 0.00 C ATOM 1254 CG GLU A 84 7.232 9.202 4.774 1.00 0.00 C ATOM 1255 CD GLU A 84 6.711 10.586 4.414 1.00 0.00 C ATOM 1256 OE1 GLU A 84 7.433 11.535 4.007 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.466 10.708 4.563 1.00 0.00 O ATOM 0 H GLU A 84 8.271 10.046 2.313 1.00 0.00 H new ATOM 0 HA GLU A 84 9.506 8.181 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.591 8.325 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.162 7.158 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.582 8.796 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.220 9.327 5.218 1.00 0.00 H new ATOM 1264 N ILE A 85 8.452 7.089 0.972 1.00 0.00 N ATOM 1265 CA ILE A 85 8.610 6.180 -0.120 1.00 0.00 C ATOM 1266 C ILE A 85 10.014 6.026 -0.595 1.00 0.00 C ATOM 1267 O ILE A 85 10.448 4.897 -0.817 1.00 0.00 O ATOM 1268 CB ILE A 85 7.574 6.409 -1.180 1.00 0.00 C ATOM 1269 CG1 ILE A 85 6.206 5.834 -0.775 1.00 0.00 C ATOM 1270 CG2 ILE A 85 8.000 5.891 -2.564 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.066 6.668 -1.358 1.00 0.00 C ATOM 0 H ILE A 85 7.912 7.912 0.704 1.00 0.00 H new ATOM 0 HA ILE A 85 8.404 5.180 0.262 1.00 0.00 H new ATOM 0 HB ILE A 85 7.476 7.491 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.123 4.804 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.125 5.810 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 85 7.207 6.087 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.911 6.400 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.184 4.818 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.110 6.239 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.138 7.691 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.136 6.669 -2.446 1.00 0.00 H new ATOM 1283 N ARG A 86 10.821 7.102 -0.563 1.00 0.00 N ATOM 1284 CA ARG A 86 12.204 7.015 -0.914 1.00 0.00 C ATOM 1285 C ARG A 86 13.031 6.362 0.140 1.00 0.00 C ATOM 1286 O ARG A 86 13.974 5.621 -0.130 1.00 0.00 O ATOM 1287 CB ARG A 86 12.714 8.384 -1.394 1.00 0.00 C ATOM 1288 CG ARG A 86 14.161 8.347 -1.891 1.00 0.00 C ATOM 1289 CD ARG A 86 14.539 9.752 -2.363 1.00 0.00 C ATOM 1290 NE ARG A 86 14.677 10.585 -1.135 1.00 0.00 N ATOM 1291 CZ ARG A 86 15.879 10.718 -0.503 1.00 0.00 C ATOM 1292 NH1 ARG A 86 16.877 9.806 -0.691 1.00 0.00 N ATOM 1293 NH2 ARG A 86 16.102 11.602 0.513 1.00 0.00 N ATOM 0 H ARG A 86 10.513 8.036 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 86 12.311 6.337 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.070 8.744 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.635 9.101 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.829 8.021 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.265 7.631 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.471 9.734 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.774 10.159 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 86 13.858 11.064 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.730 9.010 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.770 9.920 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.348 12.207 0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.023 11.657 0.948 1.00 0.00 H new ATOM 1307 N GLU A 87 12.601 6.591 1.394 1.00 0.00 N ATOM 1308 CA GLU A 87 13.226 6.009 2.541 1.00 0.00 C ATOM 1309 C GLU A 87 12.864 4.566 2.621 1.00 0.00 C ATOM 1310 O GLU A 87 13.680 3.706 2.949 1.00 0.00 O ATOM 1311 CB GLU A 87 13.066 6.835 3.828 1.00 0.00 C ATOM 1312 CG GLU A 87 13.755 6.272 5.073 1.00 0.00 C ATOM 1313 CD GLU A 87 15.192 5.781 5.173 1.00 0.00 C ATOM 1314 OE1 GLU A 87 16.052 5.947 4.267 1.00 0.00 O ATOM 1315 OE2 GLU A 87 15.548 5.268 6.268 1.00 0.00 O ATOM 0 H GLU A 87 11.806 7.190 1.615 1.00 0.00 H new ATOM 0 HA GLU A 87 14.309 6.043 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.453 7.837 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.002 6.938 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.659 7.046 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.138 5.432 5.392 1.00 0.00 H new ATOM 1322 N ALA A 88 11.635 4.194 2.222 1.00 0.00 N ATOM 1323 CA ALA A 88 11.198 2.849 2.433 1.00 0.00 C ATOM 1324 C ALA A 88 11.815 1.907 1.459 1.00 0.00 C ATOM 1325 O ALA A 88 11.852 0.707 1.729 1.00 0.00 O ATOM 1326 CB ALA A 88 9.678 2.812 2.198 1.00 0.00 C ATOM 0 H ALA A 88 10.959 4.806 1.765 1.00 0.00 H new ATOM 0 HA ALA A 88 11.481 2.549 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.311 1.797 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.185 3.486 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.460 3.127 1.177 1.00 0.00 H new ATOM 1332 N PHE A 89 12.114 2.484 0.281 1.00 0.00 N ATOM 1333 CA PHE A 89 12.932 1.795 -0.669 1.00 0.00 C ATOM 1334 C PHE A 89 14.177 1.174 -0.137 1.00 0.00 C ATOM 1335 O PHE A 89 14.521 -0.002 -0.243 1.00 0.00 O ATOM 1336 CB PHE A 89 13.150 2.660 -1.922 1.00 0.00 C ATOM 1337 CG PHE A 89 13.741 1.992 -3.115 1.00 0.00 C ATOM 1338 CD1 PHE A 89 12.942 1.190 -3.896 1.00 0.00 C ATOM 1339 CD2 PHE A 89 14.989 2.362 -3.561 1.00 0.00 C ATOM 1340 CE1 PHE A 89 13.446 0.656 -5.059 1.00 0.00 C ATOM 1341 CE2 PHE A 89 15.502 1.825 -4.718 1.00 0.00 C ATOM 1342 CZ PHE A 89 14.716 0.985 -5.471 1.00 0.00 C ATOM 0 H PHE A 89 11.797 3.409 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 89 12.361 0.913 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.188 3.082 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 89 13.795 3.495 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 89 11.925 0.981 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.569 3.079 -2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.845 -0.021 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.509 2.060 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 89 15.100 0.579 -6.395 1.00 0.00 H new ATOM 1352 N ARG A 90 14.946 2.051 0.534 1.00 0.00 N ATOM 1353 CA ARG A 90 16.165 1.709 1.198 1.00 0.00 C ATOM 1354 C ARG A 90 16.030 0.993 2.498 1.00 0.00 C ATOM 1355 O ARG A 90 16.921 0.290 2.974 1.00 0.00 O ATOM 1356 CB ARG A 90 16.946 3.000 1.496 1.00 0.00 C ATOM 1357 CG ARG A 90 18.393 2.871 1.975 1.00 0.00 C ATOM 1358 CD ARG A 90 18.854 4.143 2.692 1.00 0.00 C ATOM 1359 NE ARG A 90 18.159 4.233 4.006 1.00 0.00 N ATOM 1360 CZ ARG A 90 18.311 3.412 5.086 1.00 0.00 C ATOM 1361 NH1 ARG A 90 19.254 2.440 5.258 1.00 0.00 N ATOM 1362 NH2 ARG A 90 17.413 3.582 6.100 1.00 0.00 N ATOM 0 H ARG A 90 14.708 3.039 0.617 1.00 0.00 H new ATOM 0 HA ARG A 90 16.663 1.025 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.947 3.606 0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.393 3.558 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.481 2.018 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.045 2.674 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.934 4.124 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.629 5.020 2.086 1.00 0.00 H new ATOM 0 HE ARG A 90 17.492 4.997 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.946 2.266 4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.266 1.887 6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.684 4.291 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.471 3.000 6.936 1.00 0.00 H new ATOM 1376 N VAL A 91 14.808 1.033 3.058 1.00 0.00 N ATOM 1377 CA VAL A 91 14.481 0.162 4.144 1.00 0.00 C ATOM 1378 C VAL A 91 14.264 -1.235 3.671 1.00 0.00 C ATOM 1379 O VAL A 91 14.701 -2.261 4.190 1.00 0.00 O ATOM 1380 CB VAL A 91 13.402 0.656 5.061 1.00 0.00 C ATOM 1381 CG1 VAL A 91 12.769 -0.299 6.086 1.00 0.00 C ATOM 1382 CG2 VAL A 91 13.976 1.891 5.775 1.00 0.00 C ATOM 0 H VAL A 91 14.057 1.658 2.765 1.00 0.00 H new ATOM 0 HA VAL A 91 15.361 0.160 4.787 1.00 0.00 H new ATOM 0 HB VAL A 91 12.548 0.841 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.010 0.233 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.308 -1.138 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.540 -0.670 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.230 2.295 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.866 1.606 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.239 2.648 5.037 1.00 0.00 H new ATOM 1392 N PHE A 92 13.487 -1.390 2.584 1.00 0.00 N ATOM 1393 CA PHE A 92 13.337 -2.645 1.916 1.00 0.00 C ATOM 1394 C PHE A 92 14.566 -3.271 1.351 1.00 0.00 C ATOM 1395 O PHE A 92 14.764 -4.460 1.594 1.00 0.00 O ATOM 1396 CB PHE A 92 12.311 -2.642 0.770 1.00 0.00 C ATOM 1397 CG PHE A 92 10.925 -2.443 1.278 1.00 0.00 C ATOM 1398 CD1 PHE A 92 10.568 -2.223 2.588 1.00 0.00 C ATOM 1399 CD2 PHE A 92 9.915 -2.414 0.345 1.00 0.00 C ATOM 1400 CE1 PHE A 92 9.261 -2.007 2.956 1.00 0.00 C ATOM 1401 CE2 PHE A 92 8.636 -2.035 0.679 1.00 0.00 C ATOM 1402 CZ PHE A 92 8.287 -1.861 1.998 1.00 0.00 C ATOM 0 H PHE A 92 12.954 -0.630 2.162 1.00 0.00 H new ATOM 0 HA PHE A 92 12.998 -3.239 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.557 -1.851 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.368 -3.585 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.335 -2.220 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.132 -2.696 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.999 -1.952 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.903 -1.873 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.272 -1.616 2.274 1.00 0.00 H new ATOM 1412 N ASP A 93 15.509 -2.577 0.690 1.00 0.00 N ATOM 1413 CA ASP A 93 16.670 -3.165 0.096 1.00 0.00 C ATOM 1414 C ASP A 93 17.727 -3.439 1.109 1.00 0.00 C ATOM 1415 O ASP A 93 18.249 -2.546 1.776 1.00 0.00 O ATOM 1416 CB ASP A 93 17.313 -2.300 -1.001 1.00 0.00 C ATOM 1417 CG ASP A 93 17.984 -3.059 -2.137 1.00 0.00 C ATOM 1418 OD1 ASP A 93 18.878 -3.909 -1.880 1.00 0.00 O ATOM 1419 OD2 ASP A 93 17.650 -2.924 -3.344 1.00 0.00 O ATOM 0 H ASP A 93 15.461 -1.566 0.564 1.00 0.00 H new ATOM 0 HA ASP A 93 16.300 -4.088 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.544 -1.655 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 93 18.054 -1.650 -0.536 1.00 0.00 H new ATOM 1424 N LYS A 94 18.139 -4.705 1.303 1.00 0.00 N ATOM 1425 CA LYS A 94 19.125 -5.125 2.250 1.00 0.00 C ATOM 1426 C LYS A 94 20.508 -4.920 1.735 1.00 0.00 C ATOM 1427 O LYS A 94 21.314 -4.650 2.624 1.00 0.00 O ATOM 1428 CB LYS A 94 18.932 -6.551 2.793 1.00 0.00 C ATOM 1429 CG LYS A 94 17.535 -6.872 3.327 1.00 0.00 C ATOM 1430 CD LYS A 94 17.310 -8.297 3.839 1.00 0.00 C ATOM 1431 CE LYS A 94 16.081 -8.330 4.750 1.00 0.00 C ATOM 1432 NZ LYS A 94 16.012 -9.393 5.777 1.00 0.00 N ATOM 0 H LYS A 94 17.759 -5.483 0.764 1.00 0.00 H new ATOM 0 HA LYS A 94 18.976 -4.473 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.169 -7.258 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.654 -6.717 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.312 -6.179 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.813 -6.677 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.170 -8.978 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.189 -8.640 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.015 -7.368 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.198 -8.417 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.130 -9.295 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.033 -10.324 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.825 -9.308 6.420 1.00 0.00 H new ATOM 1446 N ASP A 95 20.823 -5.093 0.439 1.00 0.00 N ATOM 1447 CA ASP A 95 22.119 -5.146 -0.164 1.00 0.00 C ATOM 1448 C ASP A 95 22.672 -3.805 -0.507 1.00 0.00 C ATOM 1449 O ASP A 95 23.623 -3.464 0.194 1.00 0.00 O ATOM 1450 CB ASP A 95 22.151 -6.110 -1.362 1.00 0.00 C ATOM 1451 CG ASP A 95 21.051 -5.881 -2.389 1.00 0.00 C ATOM 1452 OD1 ASP A 95 21.247 -5.160 -3.404 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.979 -6.540 -2.326 1.00 0.00 O ATOM 0 H ASP A 95 20.088 -5.208 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 95 22.786 -5.548 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 95 23.117 -6.020 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.077 -7.132 -0.991 1.00 0.00 H new ATOM 1458 N GLY A 96 21.991 -3.063 -1.398 1.00 0.00 N ATOM 1459 CA GLY A 96 22.585 -1.879 -1.936 1.00 0.00 C ATOM 1460 C GLY A 96 21.583 -0.925 -2.488 1.00 0.00 C ATOM 1461 O GLY A 96 20.393 -1.227 -2.559 1.00 0.00 O ATOM 0 H GLY A 96 21.053 -3.275 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 96 23.161 -1.381 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 96 23.287 -2.156 -2.723 1.00 0.00 H new ATOM 1465 N ASN A 97 22.037 0.259 -2.938 1.00 0.00 N ATOM 1466 CA ASN A 97 21.162 1.211 -3.549 1.00 0.00 C ATOM 1467 C ASN A 97 21.193 0.940 -5.014 1.00 0.00 C ATOM 1468 O ASN A 97 22.042 1.435 -5.754 1.00 0.00 O ATOM 1469 CB ASN A 97 21.618 2.641 -3.212 1.00 0.00 C ATOM 1470 CG ASN A 97 21.686 2.838 -1.705 1.00 0.00 C ATOM 1471 OD1 ASN A 97 21.432 2.036 -0.808 1.00 0.00 O ATOM 1472 ND2 ASN A 97 22.174 4.020 -1.240 1.00 0.00 N ATOM 0 H ASN A 97 23.011 0.557 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 97 20.141 1.121 -3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 97 22.596 2.831 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.926 3.362 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.293 4.163 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 97 22.420 4.763 -1.894 1.00 0.00 H new ATOM 1479 N GLY A 98 20.097 0.309 -5.470 1.00 0.00 N ATOM 1480 CA GLY A 98 19.911 -0.012 -6.851 1.00 0.00 C ATOM 1481 C GLY A 98 18.562 -0.616 -7.039 1.00 0.00 C ATOM 1482 O GLY A 98 17.569 0.062 -6.779 1.00 0.00 O ATOM 0 H GLY A 98 19.326 0.016 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 98 20.008 0.886 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.683 -0.707 -7.182 1.00 0.00 H new ATOM 1486 N TYR A 99 18.448 -1.829 -7.609 1.00 0.00 N ATOM 1487 CA TYR A 99 17.219 -2.481 -7.941 1.00 0.00 C ATOM 1488 C TYR A 99 16.811 -3.360 -6.809 1.00 0.00 C ATOM 1489 O TYR A 99 17.639 -4.020 -6.184 1.00 0.00 O ATOM 1490 CB TYR A 99 17.323 -3.448 -9.132 1.00 0.00 C ATOM 1491 CG TYR A 99 17.649 -2.688 -10.371 1.00 0.00 C ATOM 1492 CD1 TYR A 99 16.596 -1.997 -10.923 1.00 0.00 C ATOM 1493 CD2 TYR A 99 18.892 -2.478 -10.919 1.00 0.00 C ATOM 1494 CE1 TYR A 99 16.720 -1.109 -11.965 1.00 0.00 C ATOM 1495 CE2 TYR A 99 19.055 -1.572 -11.941 1.00 0.00 C ATOM 1496 CZ TYR A 99 17.984 -0.883 -12.458 1.00 0.00 C ATOM 1497 OH TYR A 99 18.098 -0.050 -13.591 1.00 0.00 O ATOM 0 H TYR A 99 19.265 -2.389 -7.853 1.00 0.00 H new ATOM 0 HA TYR A 99 16.526 -1.672 -8.171 1.00 0.00 H new ATOM 0 HB2 TYR A 99 18.093 -4.195 -8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 99 16.383 -3.984 -9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.611 -2.162 -10.513 1.00 0.00 H new ATOM 0 HD2 TYR A 99 19.744 -3.027 -10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.858 -0.608 -12.381 1.00 0.00 H new ATOM 0 HE2 TYR A 99 20.042 -1.399 -12.344 1.00 0.00 H new ATOM 0 HH TYR A 99 19.042 0.033 -13.842 1.00 0.00 H new ATOM 1507 N ILE A 100 15.498 -3.345 -6.518 1.00 0.00 N ATOM 1508 CA ILE A 100 14.942 -4.464 -5.823 1.00 0.00 C ATOM 1509 C ILE A 100 14.572 -5.510 -6.819 1.00 0.00 C ATOM 1510 O ILE A 100 13.735 -5.257 -7.683 1.00 0.00 O ATOM 1511 CB ILE A 100 13.725 -4.255 -4.972 1.00 0.00 C ATOM 1512 CG1 ILE A 100 13.990 -3.091 -4.002 1.00 0.00 C ATOM 1513 CG2 ILE A 100 13.444 -5.473 -4.076 1.00 0.00 C ATOM 1514 CD1 ILE A 100 12.774 -2.395 -3.392 1.00 0.00 C ATOM 0 H ILE A 100 14.847 -2.595 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 100 15.738 -4.726 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 100 12.888 -4.073 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 100 14.608 -3.466 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 100 14.579 -2.340 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.555 -5.285 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 100 13.281 -6.353 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 100 14.297 -5.646 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 100 13.107 -1.596 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 100 12.159 -1.974 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.188 -3.118 -2.824 1.00 0.00 H new ATOM 1526 N SER A 101 15.326 -6.619 -6.918 1.00 0.00 N ATOM 1527 CA SER A 101 14.916 -7.740 -7.707 1.00 0.00 C ATOM 1528 C SER A 101 13.553 -8.277 -7.437 1.00 0.00 C ATOM 1529 O SER A 101 12.984 -8.154 -6.353 1.00 0.00 O ATOM 1530 CB SER A 101 15.975 -8.843 -7.873 1.00 0.00 C ATOM 1531 OG SER A 101 15.812 -9.820 -6.856 1.00 0.00 O ATOM 0 H SER A 101 16.224 -6.740 -6.449 1.00 0.00 H new ATOM 0 HA SER A 101 14.822 -7.277 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.880 -9.307 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.975 -8.412 -7.820 1.00 0.00 H new ATOM 0 HG SER A 101 16.487 -10.522 -6.966 1.00 0.00 H new ATOM 1537 N ALA A 102 13.020 -8.954 -8.470 1.00 0.00 N ATOM 1538 CA ALA A 102 11.767 -9.623 -8.307 1.00 0.00 C ATOM 1539 C ALA A 102 11.675 -10.602 -7.187 1.00 0.00 C ATOM 1540 O ALA A 102 10.696 -10.779 -6.465 1.00 0.00 O ATOM 1541 CB ALA A 102 11.490 -10.330 -9.644 1.00 0.00 C ATOM 0 H ALA A 102 13.443 -9.038 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 102 11.029 -8.868 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.541 -10.863 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.441 -9.591 -10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.291 -11.039 -9.854 1.00 0.00 H new ATOM 1547 N ALA A 103 12.837 -11.188 -6.847 1.00 0.00 N ATOM 1548 CA ALA A 103 13.052 -12.227 -5.888 1.00 0.00 C ATOM 1549 C ALA A 103 12.990 -11.687 -4.501 1.00 0.00 C ATOM 1550 O ALA A 103 12.370 -12.304 -3.636 1.00 0.00 O ATOM 1551 CB ALA A 103 14.353 -12.989 -6.189 1.00 0.00 C ATOM 0 H ALA A 103 13.711 -10.904 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 103 12.247 -12.957 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 103 14.495 -13.774 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.292 -13.435 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 103 15.196 -12.299 -6.153 1.00 0.00 H new ATOM 1557 N GLU A 104 13.764 -10.605 -4.298 1.00 0.00 N ATOM 1558 CA GLU A 104 13.802 -9.768 -3.139 1.00 0.00 C ATOM 1559 C GLU A 104 12.450 -9.200 -2.876 1.00 0.00 C ATOM 1560 O GLU A 104 11.820 -9.302 -1.824 1.00 0.00 O ATOM 1561 CB GLU A 104 14.712 -8.587 -3.518 1.00 0.00 C ATOM 1562 CG GLU A 104 16.240 -8.640 -3.465 1.00 0.00 C ATOM 1563 CD GLU A 104 16.896 -7.284 -3.685 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.864 -6.322 -2.871 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.522 -7.190 -4.774 1.00 0.00 O ATOM 0 H GLU A 104 14.422 -10.290 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 104 14.141 -10.327 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.451 -8.316 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.413 -7.754 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.550 -9.033 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.599 -9.337 -4.222 1.00 0.00 H new ATOM 1572 N LEU A 105 11.809 -8.509 -3.835 1.00 0.00 N ATOM 1573 CA LEU A 105 10.518 -7.901 -3.739 1.00 0.00 C ATOM 1574 C LEU A 105 9.425 -8.875 -3.461 1.00 0.00 C ATOM 1575 O LEU A 105 8.519 -8.534 -2.702 1.00 0.00 O ATOM 1576 CB LEU A 105 10.321 -7.130 -5.055 1.00 0.00 C ATOM 1577 CG LEU A 105 9.102 -6.192 -5.009 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.379 -4.907 -4.211 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.767 -5.937 -6.488 1.00 0.00 C ATOM 0 H LEU A 105 12.230 -8.364 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 105 10.470 -7.229 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.217 -6.547 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.199 -7.839 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 105 8.257 -6.631 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.487 -4.280 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.643 -5.165 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.204 -4.363 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.905 -5.274 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.622 -5.473 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.537 -6.883 -6.977 1.00 0.00 H new ATOM 1591 N ARG A 106 9.473 -10.151 -3.882 1.00 0.00 N ATOM 1592 CA ARG A 106 8.546 -11.169 -3.497 1.00 0.00 C ATOM 1593 C ARG A 106 8.598 -11.486 -2.041 1.00 0.00 C ATOM 1594 O ARG A 106 7.643 -11.386 -1.273 1.00 0.00 O ATOM 1595 CB ARG A 106 8.823 -12.484 -4.245 1.00 0.00 C ATOM 1596 CG ARG A 106 8.166 -13.743 -3.677 1.00 0.00 C ATOM 1597 CD ARG A 106 8.292 -14.973 -4.579 1.00 0.00 C ATOM 1598 NE ARG A 106 7.317 -15.951 -4.021 1.00 0.00 N ATOM 1599 CZ ARG A 106 6.898 -17.000 -4.788 1.00 0.00 C ATOM 1600 NH1 ARG A 106 7.224 -17.155 -6.105 1.00 0.00 N ATOM 1601 NH2 ARG A 106 5.965 -17.859 -4.285 1.00 0.00 N ATOM 0 H ARG A 106 10.192 -10.489 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 106 7.565 -10.765 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.496 -12.365 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.901 -12.643 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.613 -13.968 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.109 -13.541 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.060 -14.730 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.306 -15.372 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 106 6.964 -15.838 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.813 -16.464 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.879 -17.962 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.590 -17.713 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.642 -18.647 -4.846 1.00 0.00 H new ATOM 1615 N HIS A 107 9.828 -11.683 -1.534 1.00 0.00 N ATOM 1616 CA HIS A 107 10.133 -12.093 -0.199 1.00 0.00 C ATOM 1617 C HIS A 107 9.920 -10.952 0.735 1.00 0.00 C ATOM 1618 O HIS A 107 9.288 -11.085 1.782 1.00 0.00 O ATOM 1619 CB HIS A 107 11.618 -12.490 -0.146 1.00 0.00 C ATOM 1620 CG HIS A 107 12.255 -12.994 1.115 1.00 0.00 C ATOM 1621 ND1 HIS A 107 13.358 -12.497 1.736 1.00 0.00 N flip ATOM 1622 CD2 HIS A 107 11.791 -13.964 1.981 1.00 0.00 C flip ATOM 1623 CE1 HIS A 107 13.651 -13.235 2.865 1.00 0.00 C flip ATOM 1624 NE2 HIS A 107 12.661 -14.095 3.017 1.00 0.00 N flip ATOM 0 H HIS A 107 10.667 -11.546 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 107 9.493 -12.928 0.087 1.00 0.00 H new ATOM 0 HB2 HIS A 107 11.766 -13.259 -0.904 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.190 -11.617 -0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.880 -14.530 1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.519 -13.130 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.564 -14.754 3.790 1.00 0.00 H new ATOM 1632 N VAL A 108 10.355 -9.737 0.355 1.00 0.00 N ATOM 1633 CA VAL A 108 10.042 -8.580 1.135 1.00 0.00 C ATOM 1634 C VAL A 108 8.594 -8.269 1.301 1.00 0.00 C ATOM 1635 O VAL A 108 8.194 -8.081 2.449 1.00 0.00 O ATOM 1636 CB VAL A 108 10.678 -7.274 0.760 1.00 0.00 C ATOM 1637 CG1 VAL A 108 10.417 -6.173 1.801 1.00 0.00 C ATOM 1638 CG2 VAL A 108 12.198 -7.505 0.746 1.00 0.00 C ATOM 0 H VAL A 108 10.915 -9.557 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 108 10.487 -8.946 2.061 1.00 0.00 H new ATOM 0 HB VAL A 108 10.266 -6.956 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.899 -5.249 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.344 -6.009 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.823 -6.480 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.704 -6.578 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.527 -7.824 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.442 -8.277 0.016 1.00 0.00 H new ATOM 1648 N MET A 109 7.762 -8.359 0.248 1.00 0.00 N ATOM 1649 CA MET A 109 6.367 -8.094 0.415 1.00 0.00 C ATOM 1650 C MET A 109 5.567 -9.121 1.140 1.00 0.00 C ATOM 1651 O MET A 109 4.554 -8.768 1.741 1.00 0.00 O ATOM 1652 CB MET A 109 5.667 -7.620 -0.870 1.00 0.00 C ATOM 1653 CG MET A 109 6.163 -6.283 -1.424 1.00 0.00 C ATOM 1654 SD MET A 109 5.043 -5.572 -2.667 1.00 0.00 S ATOM 1655 CE MET A 109 5.880 -3.963 -2.753 1.00 0.00 C ATOM 0 H MET A 109 8.046 -8.609 -0.699 1.00 0.00 H new ATOM 0 HA MET A 109 6.391 -7.252 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.795 -8.383 -1.637 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.598 -7.540 -0.674 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.281 -5.577 -0.602 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.149 -6.423 -1.868 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.173 -3.171 -2.506 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.707 -3.945 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.263 -3.806 -3.761 1.00 0.00 H new ATOM 1665 N THR A 110 6.095 -10.357 1.182 1.00 0.00 N ATOM 1666 CA THR A 110 5.618 -11.523 1.858 1.00 0.00 C ATOM 1667 C THR A 110 5.750 -11.378 3.335 1.00 0.00 C ATOM 1668 O THR A 110 4.797 -11.599 4.082 1.00 0.00 O ATOM 1669 CB THR A 110 6.263 -12.806 1.423 1.00 0.00 C ATOM 1670 OG1 THR A 110 5.983 -13.076 0.058 1.00 0.00 O ATOM 1671 CG2 THR A 110 5.776 -13.978 2.292 1.00 0.00 C ATOM 0 H THR A 110 6.960 -10.559 0.681 1.00 0.00 H new ATOM 0 HA THR A 110 4.567 -11.594 1.576 1.00 0.00 H new ATOM 0 HB THR A 110 7.340 -12.695 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.606 -12.576 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.255 -14.900 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.033 -13.789 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.695 -14.077 2.197 1.00 0.00 H new ATOM 1679 N ASN A 111 6.878 -10.812 3.800 1.00 0.00 N ATOM 1680 CA ASN A 111 7.216 -10.753 5.188 1.00 0.00 C ATOM 1681 C ASN A 111 6.504 -9.680 5.938 1.00 0.00 C ATOM 1682 O ASN A 111 6.506 -9.627 7.167 1.00 0.00 O ATOM 1683 CB ASN A 111 8.732 -10.646 5.423 1.00 0.00 C ATOM 1684 CG ASN A 111 9.401 -11.867 4.809 1.00 0.00 C ATOM 1685 OD1 ASN A 111 8.841 -12.962 4.778 1.00 0.00 O ATOM 1686 ND2 ASN A 111 10.696 -11.692 4.432 1.00 0.00 N ATOM 0 H ASN A 111 7.576 -10.383 3.192 1.00 0.00 H new ATOM 0 HA ASN A 111 6.870 -11.706 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.122 -9.733 4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.947 -10.592 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.244 -12.488 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.119 -10.765 4.475 1.00 0.00 H new ATOM 1693 N LEU A 112 5.998 -8.733 5.129 1.00 0.00 N ATOM 1694 CA LEU A 112 5.489 -7.420 5.382 1.00 0.00 C ATOM 1695 C LEU A 112 4.088 -7.559 5.869 1.00 0.00 C ATOM 1696 O LEU A 112 3.685 -6.902 6.827 1.00 0.00 O ATOM 1697 CB LEU A 112 5.638 -6.487 4.169 1.00 0.00 C ATOM 1698 CG LEU A 112 5.996 -5.018 4.454 1.00 0.00 C ATOM 1699 CD1 LEU A 112 7.522 -4.831 4.416 1.00 0.00 C ATOM 1700 CD2 LEU A 112 5.485 -3.973 3.448 1.00 0.00 C ATOM 0 H LEU A 112 5.940 -8.930 4.130 1.00 0.00 H new ATOM 0 HA LEU A 112 6.080 -6.930 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.406 -6.902 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.702 -6.505 3.612 1.00 0.00 H new ATOM 0 HG LEU A 112 5.519 -4.846 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.766 -3.788 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.985 -5.466 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.898 -5.107 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.804 -2.979 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.892 -4.189 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.396 -4.009 3.408 1.00 0.00 H new ATOM 1712 N GLY A 113 3.297 -8.343 5.114 1.00 0.00 N ATOM 1713 CA GLY A 113 1.883 -8.376 5.323 1.00 0.00 C ATOM 1714 C GLY A 113 1.160 -9.423 4.548 1.00 0.00 C ATOM 1715 O GLY A 113 0.753 -10.475 5.039 1.00 0.00 O ATOM 0 H GLY A 113 3.633 -8.949 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.691 -8.532 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.469 -7.402 5.064 1.00 0.00 H new ATOM 1719 N GLU A 114 0.895 -9.226 3.245 1.00 0.00 N ATOM 1720 CA GLU A 114 0.217 -10.128 2.367 1.00 0.00 C ATOM 1721 C GLU A 114 1.106 -11.141 1.731 1.00 0.00 C ATOM 1722 O GLU A 114 2.203 -10.792 1.299 1.00 0.00 O ATOM 1723 CB GLU A 114 -0.618 -9.403 1.298 1.00 0.00 C ATOM 1724 CG GLU A 114 0.147 -8.889 0.077 1.00 0.00 C ATOM 1725 CD GLU A 114 -0.667 -8.033 -0.883 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -1.925 -8.076 -0.954 1.00 0.00 O ATOM 1727 OE2 GLU A 114 0.052 -7.251 -1.559 1.00 0.00 O ATOM 0 H GLU A 114 1.177 -8.369 2.769 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.463 -10.673 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.397 -10.083 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.119 -8.557 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.002 -8.307 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.543 -9.744 -0.470 1.00 0.00 H new ATOM 1734 N LYS A 115 0.768 -12.442 1.782 1.00 0.00 N ATOM 1735 CA LYS A 115 1.593 -13.515 1.322 1.00 0.00 C ATOM 1736 C LYS A 115 1.451 -13.753 -0.142 1.00 0.00 C ATOM 1737 O LYS A 115 0.366 -13.835 -0.716 1.00 0.00 O ATOM 1738 CB LYS A 115 1.117 -14.765 2.082 1.00 0.00 C ATOM 1739 CG LYS A 115 1.478 -14.624 3.562 1.00 0.00 C ATOM 1740 CD LYS A 115 0.868 -15.713 4.448 1.00 0.00 C ATOM 1741 CE LYS A 115 -0.644 -15.928 4.368 1.00 0.00 C ATOM 1742 NZ LYS A 115 -0.971 -16.963 5.375 1.00 0.00 N ATOM 0 H LYS A 115 -0.123 -12.760 2.162 1.00 0.00 H new ATOM 0 HA LYS A 115 2.642 -13.278 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.040 -14.886 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.583 -15.658 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 115 2.563 -14.648 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.145 -13.649 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.355 -16.657 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.120 -15.484 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.180 -15.002 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.938 -16.251 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.994 -17.149 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.457 -17.839 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.691 -16.629 6.319 1.00 0.00 H new ATOM 1756 N LEU A 116 2.597 -13.896 -0.831 1.00 0.00 N ATOM 1757 CA LEU A 116 2.588 -13.972 -2.259 1.00 0.00 C ATOM 1758 C LEU A 116 2.736 -15.345 -2.820 1.00 0.00 C ATOM 1759 O LEU A 116 3.503 -16.166 -2.321 1.00 0.00 O ATOM 1760 CB LEU A 116 3.771 -13.188 -2.853 1.00 0.00 C ATOM 1761 CG LEU A 116 3.569 -11.678 -2.642 1.00 0.00 C ATOM 1762 CD1 LEU A 116 4.863 -10.999 -3.121 1.00 0.00 C ATOM 1763 CD2 LEU A 116 2.331 -11.062 -3.315 1.00 0.00 C ATOM 0 H LEU A 116 3.522 -13.959 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 116 1.609 -13.571 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.701 -13.507 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.862 -13.405 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 116 3.369 -11.511 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.776 -9.920 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.705 -11.367 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.026 -11.228 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.292 -9.995 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.391 -11.211 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.431 -11.543 -2.932 1.00 0.00 H new ATOM 1775 N THR A 117 2.050 -15.756 -3.902 1.00 0.00 N ATOM 1776 CA THR A 117 2.195 -16.890 -4.760 1.00 0.00 C ATOM 1777 C THR A 117 2.913 -16.465 -5.994 1.00 0.00 C ATOM 1778 O THR A 117 3.042 -15.307 -6.390 1.00 0.00 O ATOM 1779 CB THR A 117 0.950 -17.643 -5.127 1.00 0.00 C ATOM 1780 OG1 THR A 117 -0.028 -16.822 -5.749 1.00 0.00 O ATOM 1781 CG2 THR A 117 0.216 -18.131 -3.867 1.00 0.00 C ATOM 0 H THR A 117 1.263 -15.191 -4.221 1.00 0.00 H new ATOM 0 HA THR A 117 2.757 -17.612 -4.168 1.00 0.00 H new ATOM 0 HB THR A 117 1.302 -18.440 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.816 -17.361 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.683 -18.674 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.870 -18.791 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.060 -17.274 -3.252 1.00 0.00 H new ATOM 1789 N ASP A 118 3.431 -17.425 -6.781 1.00 0.00 N ATOM 1790 CA ASP A 118 4.100 -17.300 -8.039 1.00 0.00 C ATOM 1791 C ASP A 118 3.157 -16.697 -9.022 1.00 0.00 C ATOM 1792 O ASP A 118 3.531 -15.728 -9.682 1.00 0.00 O ATOM 1793 CB ASP A 118 4.668 -18.679 -8.415 1.00 0.00 C ATOM 1794 CG ASP A 118 5.581 -19.377 -7.417 1.00 0.00 C ATOM 1795 OD1 ASP A 118 5.160 -19.453 -6.232 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.654 -19.912 -7.806 1.00 0.00 O ATOM 0 H ASP A 118 3.372 -18.403 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 118 4.954 -16.624 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.827 -19.342 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.218 -18.569 -9.349 1.00 0.00 H new ATOM 1801 N GLU A 119 1.879 -17.117 -9.049 1.00 0.00 N ATOM 1802 CA GLU A 119 0.761 -16.664 -9.817 1.00 0.00 C ATOM 1803 C GLU A 119 0.597 -15.191 -9.665 1.00 0.00 C ATOM 1804 O GLU A 119 0.697 -14.437 -10.632 1.00 0.00 O ATOM 1805 CB GLU A 119 -0.544 -17.445 -9.586 1.00 0.00 C ATOM 1806 CG GLU A 119 -0.250 -18.936 -9.761 1.00 0.00 C ATOM 1807 CD GLU A 119 -1.458 -19.768 -9.356 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -1.757 -20.005 -8.155 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.122 -20.202 -10.335 1.00 0.00 O ATOM 0 H GLU A 119 1.596 -17.886 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 119 0.994 -16.881 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.931 -17.249 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.309 -17.123 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.009 -19.142 -10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.612 -19.216 -9.155 1.00 0.00 H new ATOM 1816 N GLU A 120 0.330 -14.813 -8.402 1.00 0.00 N ATOM 1817 CA GLU A 120 0.217 -13.476 -7.907 1.00 0.00 C ATOM 1818 C GLU A 120 1.297 -12.498 -8.218 1.00 0.00 C ATOM 1819 O GLU A 120 0.995 -11.458 -8.802 1.00 0.00 O ATOM 1820 CB GLU A 120 0.005 -13.464 -6.384 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.844 -12.305 -5.860 1.00 0.00 C ATOM 1822 CD GLU A 120 -2.283 -12.499 -6.316 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -2.998 -13.284 -5.638 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -2.749 -11.795 -7.252 1.00 0.00 O ATOM 0 H GLU A 120 0.181 -15.503 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.647 -13.125 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.466 -14.402 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.979 -13.431 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.796 -12.265 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.456 -11.356 -6.231 1.00 0.00 H new ATOM 1831 N VAL A 121 2.543 -12.963 -8.022 1.00 0.00 N ATOM 1832 CA VAL A 121 3.692 -12.166 -8.322 1.00 0.00 C ATOM 1833 C VAL A 121 3.834 -11.921 -9.785 1.00 0.00 C ATOM 1834 O VAL A 121 4.076 -10.798 -10.224 1.00 0.00 O ATOM 1835 CB VAL A 121 4.906 -12.916 -7.860 1.00 0.00 C ATOM 1836 CG1 VAL A 121 6.273 -12.464 -8.399 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.985 -12.746 -6.333 1.00 0.00 C ATOM 0 H VAL A 121 2.755 -13.891 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 121 3.583 -11.204 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 121 4.759 -13.929 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.056 -13.096 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.281 -12.548 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.452 -11.427 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.857 -13.278 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.070 -11.687 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.084 -13.153 -5.875 1.00 0.00 H new ATOM 1847 N ASP A 122 3.544 -12.865 -10.698 1.00 0.00 N ATOM 1848 CA ASP A 122 3.665 -12.682 -12.111 1.00 0.00 C ATOM 1849 C ASP A 122 2.654 -11.686 -12.568 1.00 0.00 C ATOM 1850 O ASP A 122 2.883 -10.827 -13.418 1.00 0.00 O ATOM 1851 CB ASP A 122 3.459 -13.996 -12.883 1.00 0.00 C ATOM 1852 CG ASP A 122 4.658 -14.924 -12.744 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.801 -14.492 -13.052 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.485 -16.146 -12.489 1.00 0.00 O ATOM 0 H ASP A 122 3.211 -13.794 -10.441 1.00 0.00 H new ATOM 0 HA ASP A 122 4.676 -12.328 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.565 -14.499 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.289 -13.776 -13.937 1.00 0.00 H new ATOM 1859 N GLU A 123 1.451 -11.737 -11.968 1.00 0.00 N ATOM 1860 CA GLU A 123 0.348 -10.879 -12.271 1.00 0.00 C ATOM 1861 C GLU A 123 0.459 -9.508 -11.699 1.00 0.00 C ATOM 1862 O GLU A 123 -0.126 -8.584 -12.262 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.941 -11.643 -11.923 1.00 0.00 C ATOM 1864 CG GLU A 123 -1.256 -12.827 -12.840 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.639 -12.482 -14.272 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.767 -12.030 -14.608 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -0.798 -12.706 -15.183 1.00 0.00 O ATOM 0 H GLU A 123 1.237 -12.412 -11.234 1.00 0.00 H new ATOM 0 HA GLU A 123 0.338 -10.650 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.865 -12.006 -10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.778 -10.946 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.385 -13.482 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.071 -13.398 -12.395 1.00 0.00 H new ATOM 1874 N MET A 124 1.428 -9.429 -10.770 1.00 0.00 N ATOM 1875 CA MET A 124 1.722 -8.189 -10.121 1.00 0.00 C ATOM 1876 C MET A 124 2.672 -7.509 -11.046 1.00 0.00 C ATOM 1877 O MET A 124 2.463 -6.395 -11.525 1.00 0.00 O ATOM 1878 CB MET A 124 2.311 -8.255 -8.702 1.00 0.00 C ATOM 1879 CG MET A 124 3.039 -7.020 -8.167 1.00 0.00 C ATOM 1880 SD MET A 124 3.741 -7.177 -6.497 1.00 0.00 S ATOM 1881 CE MET A 124 5.165 -8.288 -6.689 1.00 0.00 C ATOM 0 H MET A 124 2.004 -10.216 -10.470 1.00 0.00 H new ATOM 0 HA MET A 124 0.782 -7.666 -9.946 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.498 -8.487 -8.014 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.007 -9.093 -8.668 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.844 -6.769 -8.857 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.343 -6.181 -8.171 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.645 -8.434 -5.722 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.827 -9.250 -7.075 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.879 -7.848 -7.386 1.00 0.00 H new ATOM 1891 N ILE A 125 3.791 -8.146 -11.433 1.00 0.00 N ATOM 1892 CA ILE A 125 4.733 -7.714 -12.418 1.00 0.00 C ATOM 1893 C ILE A 125 4.161 -7.248 -13.712 1.00 0.00 C ATOM 1894 O ILE A 125 4.635 -6.238 -14.232 1.00 0.00 O ATOM 1895 CB ILE A 125 5.860 -8.703 -12.466 1.00 0.00 C ATOM 1896 CG1 ILE A 125 6.481 -8.798 -11.062 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.873 -8.173 -13.494 1.00 0.00 C ATOM 1898 CD1 ILE A 125 7.316 -10.039 -10.752 1.00 0.00 C ATOM 0 H ILE A 125 4.058 -9.040 -11.020 1.00 0.00 H new ATOM 0 HA ILE A 125 5.161 -6.761 -12.107 1.00 0.00 H new ATOM 0 HB ILE A 125 5.531 -9.700 -12.758 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.110 -7.921 -10.910 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.674 -8.742 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.715 -8.862 -13.564 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.392 -8.088 -14.468 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.232 -7.193 -13.179 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.693 -9.978 -9.731 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.697 -10.930 -10.858 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.155 -10.096 -11.446 1.00 0.00 H new ATOM 1910 N ARG A 126 3.136 -7.894 -14.296 1.00 0.00 N ATOM 1911 CA ARG A 126 2.426 -7.662 -15.515 1.00 0.00 C ATOM 1912 C ARG A 126 1.904 -6.268 -15.580 1.00 0.00 C ATOM 1913 O ARG A 126 1.990 -5.571 -16.590 1.00 0.00 O ATOM 1914 CB ARG A 126 1.288 -8.683 -15.682 1.00 0.00 C ATOM 1915 CG ARG A 126 0.241 -8.400 -16.760 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.875 -9.426 -16.558 1.00 0.00 C ATOM 1917 NE ARG A 126 -1.969 -9.112 -17.520 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.007 -9.970 -17.742 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -3.304 -11.080 -17.005 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.877 -9.725 -18.766 1.00 0.00 N ATOM 0 H ARG A 126 2.748 -8.713 -13.829 1.00 0.00 H new ATOM 0 HA ARG A 126 3.126 -7.791 -16.341 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.735 -9.654 -15.894 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.772 -8.771 -14.726 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.144 -7.384 -16.670 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.675 -8.489 -17.756 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.499 -10.436 -16.725 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.246 -9.389 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.941 -8.228 -18.028 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.724 -11.331 -16.204 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.106 -11.658 -17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.749 -8.905 -19.359 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.655 -10.362 -18.938 1.00 0.00 H new ATOM 1934 N GLU A 127 1.254 -5.835 -14.485 1.00 0.00 N ATOM 1935 CA GLU A 127 0.856 -4.465 -14.381 1.00 0.00 C ATOM 1936 C GLU A 127 1.897 -3.474 -13.989 1.00 0.00 C ATOM 1937 O GLU A 127 1.861 -2.374 -14.539 1.00 0.00 O ATOM 1938 CB GLU A 127 -0.424 -4.444 -13.529 1.00 0.00 C ATOM 1939 CG GLU A 127 -0.409 -4.964 -12.091 1.00 0.00 C ATOM 1940 CD GLU A 127 -1.785 -4.793 -11.464 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.735 -5.395 -12.031 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.879 -4.047 -10.452 1.00 0.00 O ATOM 0 H GLU A 127 1.008 -6.420 -13.686 1.00 0.00 H new ATOM 0 HA GLU A 127 0.661 -4.089 -15.385 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.770 -3.411 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.179 -5.015 -14.069 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.122 -6.015 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.336 -4.423 -11.507 1.00 0.00 H new ATOM 1949 N ALA A 128 2.755 -3.794 -13.004 1.00 0.00 N ATOM 1950 CA ALA A 128 3.585 -3.001 -12.151 1.00 0.00 C ATOM 1951 C ALA A 128 5.069 -3.006 -12.282 1.00 0.00 C ATOM 1952 O ALA A 128 5.732 -2.413 -11.432 1.00 0.00 O ATOM 1953 CB ALA A 128 3.185 -3.410 -10.724 1.00 0.00 C ATOM 0 H ALA A 128 2.882 -4.780 -12.774 1.00 0.00 H new ATOM 0 HA ALA A 128 3.391 -1.973 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.778 -2.845 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.127 -3.199 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.366 -4.476 -10.587 1.00 0.00 H new ATOM 1959 N ASP A 129 5.572 -3.453 -13.447 1.00 0.00 N ATOM 1960 CA ASP A 129 6.903 -3.235 -13.920 1.00 0.00 C ATOM 1961 C ASP A 129 6.927 -2.443 -15.182 1.00 0.00 C ATOM 1962 O ASP A 129 6.257 -2.872 -16.120 1.00 0.00 O ATOM 1963 CB ASP A 129 7.667 -4.557 -14.107 1.00 0.00 C ATOM 1964 CG ASP A 129 9.147 -4.267 -14.315 1.00 0.00 C ATOM 1965 OD1 ASP A 129 9.714 -3.799 -15.338 1.00 0.00 O ATOM 1966 OD2 ASP A 129 9.836 -4.376 -13.266 1.00 0.00 O ATOM 0 H ASP A 129 5.012 -4.002 -14.099 1.00 0.00 H new ATOM 0 HA ASP A 129 7.409 -2.654 -13.149 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.530 -5.194 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.269 -5.101 -14.964 1.00 0.00 H new ATOM 1971 N ILE A 130 7.564 -1.261 -15.254 1.00 0.00 N ATOM 1972 CA ILE A 130 7.664 -0.450 -16.428 1.00 0.00 C ATOM 1973 C ILE A 130 8.424 -0.990 -17.590 1.00 0.00 C ATOM 1974 O ILE A 130 7.938 -0.887 -18.715 1.00 0.00 O ATOM 1975 CB ILE A 130 7.826 1.000 -16.080 1.00 0.00 C ATOM 1976 CG1 ILE A 130 7.119 1.950 -17.062 1.00 0.00 C ATOM 1977 CG2 ILE A 130 9.312 1.392 -16.042 1.00 0.00 C ATOM 1978 CD1 ILE A 130 6.213 2.996 -16.415 1.00 0.00 C ATOM 0 H ILE A 130 8.035 -0.849 -14.449 1.00 0.00 H new ATOM 0 HA ILE A 130 6.690 -0.516 -16.913 1.00 0.00 H new ATOM 0 HB ILE A 130 7.363 1.109 -15.099 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.876 2.464 -17.654 1.00 0.00 H new ATOM 0 HG13 ILE A 130 6.523 1.354 -17.754 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.403 2.448 -15.788 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.827 0.792 -15.292 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.760 1.214 -17.020 1.00 0.00 H new ATOM 0 HD11 ILE A 130 5.762 3.616 -17.190 1.00 0.00 H new ATOM 0 HD12 ILE A 130 5.428 2.496 -15.847 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.802 3.623 -15.746 1.00 0.00 H new ATOM 1990 N ASP A 131 9.614 -1.597 -17.428 1.00 0.00 N ATOM 1991 CA ASP A 131 10.470 -2.211 -18.395 1.00 0.00 C ATOM 1992 C ASP A 131 9.881 -3.482 -18.902 1.00 0.00 C ATOM 1993 O ASP A 131 10.141 -3.859 -20.044 1.00 0.00 O ATOM 1994 CB ASP A 131 11.884 -2.449 -17.838 1.00 0.00 C ATOM 1995 CG ASP A 131 12.265 -1.301 -16.913 1.00 0.00 C ATOM 1996 OD1 ASP A 131 11.911 -1.407 -15.708 1.00 0.00 O ATOM 1997 OD2 ASP A 131 12.883 -0.287 -17.335 1.00 0.00 O ATOM 0 H ASP A 131 10.024 -1.663 -16.496 1.00 0.00 H new ATOM 0 HA ASP A 131 10.560 -1.518 -19.231 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.919 -3.394 -17.296 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.601 -2.524 -18.656 1.00 0.00 H new ATOM 2002 N GLY A 132 9.073 -4.287 -18.190 1.00 0.00 N ATOM 2003 CA GLY A 132 8.677 -5.612 -18.555 1.00 0.00 C ATOM 2004 C GLY A 132 9.536 -6.655 -17.929 1.00 0.00 C ATOM 2005 O GLY A 132 9.527 -7.848 -18.231 1.00 0.00 O ATOM 0 H GLY A 132 8.670 -3.992 -17.301 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.641 -5.773 -18.258 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.718 -5.715 -19.639 1.00 0.00 H new ATOM 2009 N ASP A 133 10.392 -6.234 -16.981 1.00 0.00 N ATOM 2010 CA ASP A 133 11.464 -7.098 -16.595 1.00 0.00 C ATOM 2011 C ASP A 133 11.121 -7.941 -15.416 1.00 0.00 C ATOM 2012 O ASP A 133 10.886 -9.124 -15.660 1.00 0.00 O ATOM 2013 CB ASP A 133 12.807 -6.347 -16.619 1.00 0.00 C ATOM 2014 CG ASP A 133 13.188 -5.383 -15.505 1.00 0.00 C ATOM 2015 OD1 ASP A 133 12.323 -5.092 -14.636 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.280 -4.772 -15.650 1.00 0.00 O ATOM 0 H ASP A 133 10.349 -5.336 -16.500 1.00 0.00 H new ATOM 0 HA ASP A 133 11.622 -7.875 -17.342 1.00 0.00 H new ATOM 0 HB2 ASP A 133 13.593 -7.101 -16.671 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.842 -5.785 -17.552 1.00 0.00 H new ATOM 2021 N GLY A 134 10.905 -7.338 -14.234 1.00 0.00 N ATOM 2022 CA GLY A 134 10.601 -7.976 -12.991 1.00 0.00 C ATOM 2023 C GLY A 134 11.293 -7.332 -11.839 1.00 0.00 C ATOM 2024 O GLY A 134 10.815 -7.374 -10.706 1.00 0.00 O ATOM 0 H GLY A 134 10.947 -6.323 -14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.524 -7.949 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.889 -9.026 -13.044 1.00 0.00 H new ATOM 2028 N GLN A 135 12.423 -6.627 -12.024 1.00 0.00 N ATOM 2029 CA GLN A 135 13.152 -6.017 -10.955 1.00 0.00 C ATOM 2030 C GLN A 135 12.649 -4.615 -10.940 1.00 0.00 C ATOM 2031 O GLN A 135 12.463 -3.914 -11.933 1.00 0.00 O ATOM 2032 CB GLN A 135 14.681 -6.008 -11.120 1.00 0.00 C ATOM 2033 CG GLN A 135 15.271 -5.721 -12.503 1.00 0.00 C ATOM 2034 CD GLN A 135 16.759 -6.038 -12.449 1.00 0.00 C ATOM 2035 OE1 GLN A 135 17.399 -6.678 -11.617 1.00 0.00 O ATOM 2036 NE2 GLN A 135 17.410 -5.469 -13.499 1.00 0.00 N ATOM 0 H GLN A 135 12.842 -6.477 -12.942 1.00 0.00 H new ATOM 0 HA GLN A 135 12.992 -6.583 -10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 135 15.083 -5.267 -10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 135 15.054 -6.980 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 135 14.778 -6.329 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 135 15.112 -4.678 -12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 135 16.888 -4.936 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 135 18.420 -5.575 -13.591 1.00 0.00 H new ATOM 2045 N VAL A 136 12.482 -4.096 -9.710 1.00 0.00 N ATOM 2046 CA VAL A 136 11.922 -2.825 -9.373 1.00 0.00 C ATOM 2047 C VAL A 136 12.938 -1.743 -9.242 1.00 0.00 C ATOM 2048 O VAL A 136 13.871 -1.954 -8.469 1.00 0.00 O ATOM 2049 CB VAL A 136 10.924 -2.882 -8.254 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.739 -1.515 -7.574 1.00 0.00 C ATOM 2051 CG2 VAL A 136 9.539 -3.212 -8.836 1.00 0.00 C ATOM 0 H VAL A 136 12.765 -4.615 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 136 11.329 -2.533 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 136 11.294 -3.623 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 136 10.008 -1.604 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 136 11.692 -1.181 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.386 -0.789 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.807 -3.256 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 136 9.250 -2.439 -9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.578 -4.176 -9.343 1.00 0.00 H new ATOM 2061 N ASN A 137 12.769 -0.598 -9.928 1.00 0.00 N ATOM 2062 CA ASN A 137 13.510 0.602 -9.690 1.00 0.00 C ATOM 2063 C ASN A 137 12.742 1.559 -8.845 1.00 0.00 C ATOM 2064 O ASN A 137 11.560 1.351 -8.577 1.00 0.00 O ATOM 2065 CB ASN A 137 13.910 1.173 -11.061 1.00 0.00 C ATOM 2066 CG ASN A 137 15.209 1.965 -11.019 1.00 0.00 C ATOM 2067 OD1 ASN A 137 15.694 2.268 -9.930 1.00 0.00 O ATOM 2068 ND2 ASN A 137 15.789 2.369 -12.180 1.00 0.00 N ATOM 0 H ASN A 137 12.087 -0.505 -10.681 1.00 0.00 H new ATOM 0 HA ASN A 137 14.414 0.398 -9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.013 0.354 -11.773 1.00 0.00 H new ATOM 0 HB3 ASN A 137 13.110 1.816 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.639 2.932 -12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.374 2.109 -13.075 1.00 0.00 H new ATOM 2075 N TYR A 138 13.400 2.661 -8.445 1.00 0.00 N ATOM 2076 CA TYR A 138 12.845 3.610 -7.531 1.00 0.00 C ATOM 2077 C TYR A 138 11.557 4.177 -8.022 1.00 0.00 C ATOM 2078 O TYR A 138 10.510 4.190 -7.375 1.00 0.00 O ATOM 2079 CB TYR A 138 13.953 4.615 -7.173 1.00 0.00 C ATOM 2080 CG TYR A 138 13.450 5.692 -6.274 1.00 0.00 C ATOM 2081 CD1 TYR A 138 12.443 5.573 -5.346 1.00 0.00 C ATOM 2082 CD2 TYR A 138 13.901 6.957 -6.566 1.00 0.00 C ATOM 2083 CE1 TYR A 138 11.837 6.649 -4.740 1.00 0.00 C ATOM 2084 CE2 TYR A 138 13.379 8.062 -5.935 1.00 0.00 C ATOM 2085 CZ TYR A 138 12.296 7.893 -5.106 1.00 0.00 C ATOM 2086 OH TYR A 138 11.513 8.947 -4.590 1.00 0.00 O ATOM 0 H TYR A 138 14.339 2.898 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 138 12.535 3.141 -6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 138 14.777 4.091 -6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 138 14.351 5.059 -8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 138 12.110 4.581 -5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 138 14.679 7.086 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 138 11.045 6.524 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 138 13.810 9.040 -6.088 1.00 0.00 H new ATOM 0 HH TYR A 138 11.887 9.805 -4.881 1.00 0.00 H new ATOM 2096 N GLU A 139 11.661 4.754 -9.232 1.00 0.00 N ATOM 2097 CA GLU A 139 10.536 5.306 -9.921 1.00 0.00 C ATOM 2098 C GLU A 139 9.374 4.394 -10.112 1.00 0.00 C ATOM 2099 O GLU A 139 8.262 4.916 -10.041 1.00 0.00 O ATOM 2100 CB GLU A 139 10.971 5.807 -11.309 1.00 0.00 C ATOM 2101 CG GLU A 139 11.838 7.053 -11.121 1.00 0.00 C ATOM 2102 CD GLU A 139 13.290 6.776 -10.758 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.805 5.669 -10.445 1.00 0.00 O ATOM 2104 OE2 GLU A 139 14.012 7.802 -10.871 1.00 0.00 O ATOM 0 H GLU A 139 12.541 4.839 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 139 10.191 6.107 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 139 11.529 5.032 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.098 6.040 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.814 7.636 -12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.395 7.671 -10.340 1.00 0.00 H new ATOM 2111 N GLU A 140 9.594 3.071 -10.216 1.00 0.00 N ATOM 2112 CA GLU A 140 8.602 2.050 -10.349 1.00 0.00 C ATOM 2113 C GLU A 140 7.935 1.899 -9.026 1.00 0.00 C ATOM 2114 O GLU A 140 6.713 2.027 -8.975 1.00 0.00 O ATOM 2115 CB GLU A 140 9.133 0.690 -10.832 1.00 0.00 C ATOM 2116 CG GLU A 140 9.967 0.840 -12.106 1.00 0.00 C ATOM 2117 CD GLU A 140 10.511 -0.487 -12.616 1.00 0.00 C ATOM 2118 OE1 GLU A 140 9.732 -1.281 -13.207 1.00 0.00 O ATOM 2119 OE2 GLU A 140 11.725 -0.774 -12.439 1.00 0.00 O ATOM 0 H GLU A 140 10.539 2.687 -10.206 1.00 0.00 H new ATOM 0 HA GLU A 140 7.911 2.368 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 140 9.740 0.235 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.297 0.016 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.356 1.299 -12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.798 1.518 -11.913 1.00 0.00 H new ATOM 2126 N PHE A 141 8.717 1.705 -7.948 1.00 0.00 N ATOM 2127 CA PHE A 141 8.274 1.737 -6.589 1.00 0.00 C ATOM 2128 C PHE A 141 7.382 2.882 -6.252 1.00 0.00 C ATOM 2129 O PHE A 141 6.370 2.670 -5.586 1.00 0.00 O ATOM 2130 CB PHE A 141 9.524 1.667 -5.695 1.00 0.00 C ATOM 2131 CG PHE A 141 9.249 1.140 -4.329 1.00 0.00 C ATOM 2132 CD1 PHE A 141 8.588 -0.049 -4.126 1.00 0.00 C ATOM 2133 CD2 PHE A 141 9.453 1.916 -3.213 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.195 -0.471 -2.878 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.899 1.646 -1.984 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.311 0.412 -1.831 1.00 0.00 C ATOM 0 H PHE A 141 9.716 1.515 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 141 7.630 0.875 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 141 10.270 1.035 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 141 9.957 2.664 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.370 -0.674 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 141 10.084 2.787 -3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.807 -1.467 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.924 2.366 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 141 7.930 0.129 -0.861 1.00 0.00 H new ATOM 2146 N VAL A 142 7.726 4.123 -6.640 1.00 0.00 N ATOM 2147 CA VAL A 142 6.879 5.262 -6.467 1.00 0.00 C ATOM 2148 C VAL A 142 5.560 5.198 -7.157 1.00 0.00 C ATOM 2149 O VAL A 142 4.499 5.325 -6.549 1.00 0.00 O ATOM 2150 CB VAL A 142 7.544 6.493 -7.008 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.812 7.762 -6.542 1.00 0.00 C ATOM 2152 CG2 VAL A 142 8.970 6.654 -6.456 1.00 0.00 C ATOM 0 H VAL A 142 8.617 4.340 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 142 6.708 5.284 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 142 7.536 6.377 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.313 8.641 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 142 5.781 7.737 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 142 6.822 7.809 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.421 7.556 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 142 8.933 6.732 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.569 5.788 -6.737 1.00 0.00 H new ATOM 2162 N GLN A 143 5.588 4.928 -8.474 1.00 0.00 N ATOM 2163 CA GLN A 143 4.439 4.822 -9.320 1.00 0.00 C ATOM 2164 C GLN A 143 3.530 3.743 -8.843 1.00 0.00 C ATOM 2165 O GLN A 143 2.311 3.910 -8.849 1.00 0.00 O ATOM 2166 CB GLN A 143 4.810 4.384 -10.747 1.00 0.00 C ATOM 2167 CG GLN A 143 3.667 4.452 -11.762 1.00 0.00 C ATOM 2168 CD GLN A 143 4.133 4.225 -13.192 1.00 0.00 C ATOM 2169 OE1 GLN A 143 3.974 2.953 -13.648 1.00 0.00 O flip ATOM 2170 NE2 GLN A 143 4.772 5.053 -13.839 1.00 0.00 N flip ATOM 0 H GLN A 143 6.462 4.775 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 143 3.980 5.811 -9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.629 5.010 -11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.184 3.361 -10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.916 3.705 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.183 5.426 -11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.882 6.003 -13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.192 4.790 -14.731 1.00 0.00 H new ATOM 2179 N MET A 144 4.125 2.597 -8.468 1.00 0.00 N ATOM 2180 CA MET A 144 3.444 1.488 -7.875 1.00 0.00 C ATOM 2181 C MET A 144 2.700 1.907 -6.655 1.00 0.00 C ATOM 2182 O MET A 144 1.518 1.609 -6.489 1.00 0.00 O ATOM 2183 CB MET A 144 4.266 0.190 -7.799 1.00 0.00 C ATOM 2184 CG MET A 144 3.563 -1.047 -7.235 1.00 0.00 C ATOM 2185 SD MET A 144 4.445 -2.637 -7.246 1.00 0.00 S ATOM 2186 CE MET A 144 5.702 -2.174 -6.019 1.00 0.00 C ATOM 0 H MET A 144 5.126 2.436 -8.583 1.00 0.00 H new ATOM 0 HA MET A 144 2.666 1.164 -8.566 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.616 -0.048 -8.803 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.150 0.384 -7.191 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.289 -0.829 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.635 -1.181 -7.790 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.419 -2.987 -5.908 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.222 -1.275 -6.352 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.221 -1.981 -5.060 1.00 0.00 H new ATOM 2196 N MET A 145 3.313 2.579 -5.664 1.00 0.00 N ATOM 2197 CA MET A 145 2.686 2.887 -4.417 1.00 0.00 C ATOM 2198 C MET A 145 1.694 3.990 -4.558 1.00 0.00 C ATOM 2199 O MET A 145 0.832 4.304 -3.740 1.00 0.00 O ATOM 2200 CB MET A 145 3.720 3.209 -3.325 1.00 0.00 C ATOM 2201 CG MET A 145 4.409 1.910 -2.902 1.00 0.00 C ATOM 2202 SD MET A 145 3.204 0.797 -2.117 1.00 0.00 S ATOM 2203 CE MET A 145 3.712 -0.766 -2.891 1.00 0.00 C ATOM 0 H MET A 145 4.273 2.918 -5.733 1.00 0.00 H new ATOM 0 HA MET A 145 2.144 1.994 -4.104 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.455 3.922 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.232 3.674 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.853 1.424 -3.771 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.221 2.128 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.410 -1.600 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.237 -0.860 -3.867 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.795 -0.777 -3.012 1.00 0.00 H new