USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.541 X(o=-0.54,f=-0.78) USER MOD Set 2.1: A 97 LYS NZ :NH3+ 132:sc= 1.07 (180deg=-0.0523) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.715 K(o=1.8,f=-5.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.11) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.222) USER MOD Single : A 123 LYS NZ :NH3+ -113:sc= -0.119 (180deg=-0.915) USER MOD Single : A 128 LYS NZ :NH3+ -165:sc= -0.0418 (180deg=-0.288) USER MOD Single : A 129 GLN : amide:sc= 0.279 K(o=0.28,f=-12!) USER MOD Single : A 130 CYS SG : rot 91:sc= -0.123 USER MOD Single : A 135 HIS : no HD1:sc= -0.0679 X(o=-0.068,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.437 K(o=0.44,f=-0.26) USER MOD Single : A 137 HIS : no HD1:sc=-0.00461 X(o=-0.0046,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.113 -9.906 -13.396 1.00 0.00 N ATOM 85 CA TRP A 95 14.358 -9.712 -14.106 1.00 0.00 C ATOM 86 C TRP A 95 14.145 -9.817 -15.604 1.00 0.00 C ATOM 87 O TRP A 95 13.560 -10.782 -16.097 1.00 0.00 O ATOM 88 CB TRP A 95 15.376 -10.723 -13.618 1.00 0.00 C ATOM 89 CG TRP A 95 16.195 -10.236 -12.474 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.792 -10.162 -11.195 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.556 -9.715 -12.486 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.790 -9.655 -10.395 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.915 -9.353 -11.150 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.527 -9.503 -13.490 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.166 -8.809 -10.833 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.787 -8.957 -13.174 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.105 -8.612 -11.850 1.00 0.00 C ATOM 0 HA TRP A 95 14.737 -8.710 -13.905 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.857 -11.635 -13.321 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.038 -10.987 -14.442 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.816 -10.460 -10.842 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.714 -9.520 -9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.301 -9.763 -14.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.403 -8.544 -9.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.515 -8.802 -13.957 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.074 -8.195 -11.618 1.00 0.00 H new ATOM 108 N THR A 96 14.621 -8.799 -16.313 1.00 0.00 N ATOM 109 CA THR A 96 14.471 -8.702 -17.743 1.00 0.00 C ATOM 110 C THR A 96 15.712 -9.305 -18.414 1.00 0.00 C ATOM 111 O THR A 96 16.805 -9.265 -17.849 1.00 0.00 O ATOM 112 CB THR A 96 14.249 -7.219 -18.117 1.00 0.00 C ATOM 113 OG1 THR A 96 15.482 -6.603 -18.422 1.00 0.00 O ATOM 114 CG2 THR A 96 13.575 -6.468 -16.939 1.00 0.00 C ATOM 0 H THR A 96 15.125 -8.015 -15.898 1.00 0.00 H new ATOM 0 HA THR A 96 13.606 -9.264 -18.095 1.00 0.00 H new ATOM 0 HB THR A 96 13.600 -7.176 -18.992 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.329 -5.664 -18.659 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.423 -5.424 -17.213 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.613 -6.929 -16.717 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.215 -6.523 -16.059 1.00 0.00 H new ATOM 122 N LYS A 97 15.533 -9.879 -19.611 1.00 0.00 N ATOM 123 CA LYS A 97 16.616 -10.543 -20.332 1.00 0.00 C ATOM 124 C LYS A 97 17.821 -9.619 -20.490 1.00 0.00 C ATOM 125 O LYS A 97 18.957 -10.059 -20.330 1.00 0.00 O ATOM 126 CB LYS A 97 16.097 -11.005 -21.701 1.00 0.00 C ATOM 127 CG LYS A 97 17.095 -11.977 -22.351 1.00 0.00 C ATOM 128 CD LYS A 97 17.985 -11.231 -23.358 1.00 0.00 C ATOM 129 CE LYS A 97 18.851 -12.232 -24.131 1.00 0.00 C ATOM 130 NZ LYS A 97 19.836 -12.887 -23.249 1.00 0.00 N ATOM 0 H LYS A 97 14.638 -9.894 -20.100 1.00 0.00 H new ATOM 0 HA LYS A 97 16.947 -11.409 -19.759 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.129 -11.492 -21.585 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.945 -10.142 -22.350 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.713 -12.442 -21.583 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.556 -12.779 -22.855 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.366 -10.661 -24.051 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.620 -10.516 -22.835 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.214 -12.987 -24.591 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.370 -11.718 -24.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.813 -13.915 -23.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.787 -12.525 -23.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.603 -12.683 -22.256 1.00 0.00 H new ATOM 144 N GLU A 98 17.581 -8.346 -20.806 1.00 0.00 N ATOM 145 CA GLU A 98 18.660 -7.392 -20.992 1.00 0.00 C ATOM 146 C GLU A 98 19.381 -7.163 -19.664 1.00 0.00 C ATOM 147 O GLU A 98 20.605 -7.166 -19.621 1.00 0.00 O ATOM 148 CB GLU A 98 18.098 -6.079 -21.552 1.00 0.00 C ATOM 149 CG GLU A 98 19.247 -5.126 -21.913 1.00 0.00 C ATOM 150 CD GLU A 98 20.182 -5.751 -22.946 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.684 -6.065 -24.047 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.380 -5.906 -22.612 1.00 0.00 O ATOM 0 H GLU A 98 16.647 -7.958 -20.937 1.00 0.00 H new ATOM 0 HA GLU A 98 19.382 -7.787 -21.707 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.491 -6.281 -22.435 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.444 -5.611 -20.816 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.840 -4.194 -22.305 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.810 -4.875 -21.014 1.00 0.00 H new ATOM 159 N GLU A 99 18.617 -6.967 -18.582 1.00 0.00 N ATOM 160 CA GLU A 99 19.192 -6.733 -17.263 1.00 0.00 C ATOM 161 C GLU A 99 20.118 -7.908 -16.923 1.00 0.00 C ATOM 162 O GLU A 99 21.240 -7.704 -16.465 1.00 0.00 O ATOM 163 CB GLU A 99 18.054 -6.599 -16.238 1.00 0.00 C ATOM 164 CG GLU A 99 18.051 -5.185 -15.639 1.00 0.00 C ATOM 165 CD GLU A 99 19.231 -4.960 -14.707 1.00 0.00 C ATOM 166 OE1 GLU A 99 19.449 -5.836 -13.845 1.00 0.00 O ATOM 167 OE2 GLU A 99 19.884 -3.911 -14.870 1.00 0.00 O ATOM 0 H GLU A 99 17.597 -6.967 -18.600 1.00 0.00 H new ATOM 0 HA GLU A 99 19.775 -5.812 -17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.096 -6.802 -16.717 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.178 -7.338 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.079 -4.450 -16.444 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.122 -5.024 -15.093 1.00 0.00 H new ATOM 174 N ASP A 100 19.647 -9.142 -17.173 1.00 0.00 N ATOM 175 CA ASP A 100 20.454 -10.339 -16.959 1.00 0.00 C ATOM 176 C ASP A 100 21.704 -10.266 -17.834 1.00 0.00 C ATOM 177 O ASP A 100 22.809 -10.536 -17.368 1.00 0.00 O ATOM 178 CB ASP A 100 19.637 -11.590 -17.312 1.00 0.00 C ATOM 179 CG ASP A 100 18.932 -12.154 -16.094 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.645 -12.673 -15.210 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.689 -12.061 -16.067 1.00 0.00 O ATOM 0 H ASP A 100 18.708 -9.329 -17.524 1.00 0.00 H new ATOM 0 HA ASP A 100 20.748 -10.398 -15.911 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.901 -11.342 -18.077 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.295 -12.348 -17.737 1.00 0.00 H new ATOM 186 N GLN A 101 21.521 -9.898 -19.111 1.00 0.00 N ATOM 187 CA GLN A 101 22.626 -9.790 -20.054 1.00 0.00 C ATOM 188 C GLN A 101 23.718 -8.872 -19.498 1.00 0.00 C ATOM 189 O GLN A 101 24.902 -9.158 -19.669 1.00 0.00 O ATOM 190 CB GLN A 101 22.108 -9.270 -21.403 1.00 0.00 C ATOM 191 CG GLN A 101 23.132 -9.559 -22.506 1.00 0.00 C ATOM 192 CD GLN A 101 23.276 -11.059 -22.744 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.298 -11.737 -23.056 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.494 -11.579 -22.594 1.00 0.00 N ATOM 0 H GLN A 101 20.610 -9.671 -19.509 1.00 0.00 H new ATOM 0 HA GLN A 101 23.063 -10.777 -20.205 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.158 -9.746 -21.644 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.921 -8.198 -21.341 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.824 -9.069 -23.430 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.098 -9.137 -22.229 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.276 -10.978 -22.334 1.00 0.00 H new ATOM 0 HE22 GLN A 101 24.644 -12.577 -22.739 1.00 0.00 H new ATOM 203 N ARG A 102 23.332 -7.772 -18.830 1.00 0.00 N ATOM 204 CA ARG A 102 24.310 -6.859 -18.253 1.00 0.00 C ATOM 205 C ARG A 102 25.150 -7.605 -17.216 1.00 0.00 C ATOM 206 O ARG A 102 26.372 -7.503 -17.229 1.00 0.00 O ATOM 207 CB ARG A 102 23.624 -5.642 -17.605 1.00 0.00 C ATOM 208 CG ARG A 102 22.828 -4.824 -18.633 1.00 0.00 C ATOM 209 CD ARG A 102 23.728 -4.371 -19.789 1.00 0.00 C ATOM 210 NE ARG A 102 23.459 -5.172 -20.997 1.00 0.00 N ATOM 211 CZ ARG A 102 24.410 -5.667 -21.813 1.00 0.00 C ATOM 212 NH1 ARG A 102 25.715 -5.478 -21.559 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.037 -6.358 -22.895 1.00 0.00 N ATOM 0 H ARG A 102 22.359 -7.503 -18.682 1.00 0.00 H new ATOM 0 HA ARG A 102 24.954 -6.491 -19.051 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.956 -5.980 -16.813 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.376 -5.006 -17.138 1.00 0.00 H new ATOM 0 HG2 ARG A 102 22.005 -5.423 -19.022 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.387 -3.953 -18.148 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.556 -3.315 -20.000 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.775 -4.473 -19.504 1.00 0.00 H new ATOM 0 HE ARG A 102 22.485 -5.365 -21.231 1.00 0.00 H new ATOM 0 HH11 ARG A 102 26.003 -4.951 -20.735 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.418 -5.862 -22.190 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.047 -6.503 -23.091 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.743 -6.740 -23.524 1.00 0.00 H new ATOM 227 N VAL A 103 24.496 -8.358 -16.319 1.00 0.00 N ATOM 228 CA VAL A 103 25.208 -9.108 -15.289 1.00 0.00 C ATOM 229 C VAL A 103 26.170 -10.092 -15.944 1.00 0.00 C ATOM 230 O VAL A 103 27.318 -10.180 -15.542 1.00 0.00 O ATOM 231 CB VAL A 103 24.217 -9.848 -14.378 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.985 -10.592 -13.281 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.272 -8.848 -13.724 1.00 0.00 C ATOM 0 H VAL A 103 23.481 -8.460 -16.291 1.00 0.00 H new ATOM 0 HA VAL A 103 25.777 -8.412 -14.673 1.00 0.00 H new ATOM 0 HB VAL A 103 23.646 -10.557 -14.978 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.281 -11.117 -12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.665 -11.312 -13.737 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.557 -9.878 -12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.571 -9.378 -13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.848 -8.139 -13.129 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.720 -8.311 -14.495 1.00 0.00 H new ATOM 243 N ILE A 104 25.699 -10.831 -16.955 1.00 0.00 N ATOM 244 CA ILE A 104 26.534 -11.799 -17.655 1.00 0.00 C ATOM 245 C ILE A 104 27.788 -11.103 -18.196 1.00 0.00 C ATOM 246 O ILE A 104 28.905 -11.545 -17.935 1.00 0.00 O ATOM 247 CB ILE A 104 25.723 -12.448 -18.793 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.633 -13.355 -18.202 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.654 -13.278 -19.690 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.685 -13.833 -19.307 1.00 0.00 C ATOM 0 H ILE A 104 24.742 -10.773 -17.303 1.00 0.00 H new ATOM 0 HA ILE A 104 26.850 -12.583 -16.967 1.00 0.00 H new ATOM 0 HB ILE A 104 25.256 -11.664 -19.389 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.091 -14.213 -17.710 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.072 -12.813 -17.441 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.074 -13.734 -20.493 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.419 -12.631 -20.118 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.130 -14.059 -19.097 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.917 -14.475 -18.875 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.214 -12.971 -19.780 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.249 -14.393 -20.053 1.00 0.00 H new ATOM 262 N GLU A 105 27.591 -10.018 -18.951 1.00 0.00 N ATOM 263 CA GLU A 105 28.684 -9.266 -19.554 1.00 0.00 C ATOM 264 C GLU A 105 29.677 -8.794 -18.486 1.00 0.00 C ATOM 265 O GLU A 105 30.884 -8.984 -18.630 1.00 0.00 O ATOM 266 CB GLU A 105 28.084 -8.069 -20.315 1.00 0.00 C ATOM 267 CG GLU A 105 29.189 -7.193 -20.930 1.00 0.00 C ATOM 268 CD GLU A 105 29.972 -7.937 -22.009 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.383 -8.859 -22.612 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.149 -7.562 -22.211 1.00 0.00 O ATOM 0 H GLU A 105 26.667 -9.640 -19.159 1.00 0.00 H new ATOM 0 HA GLU A 105 29.235 -9.904 -20.245 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.421 -8.430 -21.102 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.477 -7.470 -19.636 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.744 -6.295 -21.359 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.872 -6.867 -20.146 1.00 0.00 H new ATOM 277 N LEU A 106 29.168 -8.165 -17.424 1.00 0.00 N ATOM 278 CA LEU A 106 30.009 -7.607 -16.374 1.00 0.00 C ATOM 279 C LEU A 106 30.745 -8.706 -15.605 1.00 0.00 C ATOM 280 O LEU A 106 31.958 -8.635 -15.458 1.00 0.00 O ATOM 281 CB LEU A 106 29.144 -6.770 -15.429 1.00 0.00 C ATOM 282 CG LEU A 106 28.595 -5.536 -16.165 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.535 -4.863 -15.295 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.728 -4.546 -16.454 1.00 0.00 C ATOM 0 H LEU A 106 28.168 -8.031 -17.272 1.00 0.00 H new ATOM 0 HA LEU A 106 30.767 -6.972 -16.831 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.319 -7.373 -15.049 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.733 -6.456 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 106 28.152 -5.849 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.142 -3.987 -15.812 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.724 -5.565 -15.102 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.982 -4.556 -14.349 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.327 -3.677 -16.975 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.182 -4.229 -15.515 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.482 -5.027 -17.077 1.00 0.00 H new ATOM 296 N VAL A 107 30.017 -9.714 -15.111 1.00 0.00 N ATOM 297 CA VAL A 107 30.613 -10.801 -14.340 1.00 0.00 C ATOM 298 C VAL A 107 31.685 -11.512 -15.170 1.00 0.00 C ATOM 299 O VAL A 107 32.739 -11.856 -14.648 1.00 0.00 O ATOM 300 CB VAL A 107 29.510 -11.778 -13.902 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.136 -13.074 -13.390 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.676 -11.144 -12.784 1.00 0.00 C ATOM 0 H VAL A 107 29.008 -9.796 -15.235 1.00 0.00 H new ATOM 0 HA VAL A 107 31.095 -10.398 -13.450 1.00 0.00 H new ATOM 0 HB VAL A 107 28.871 -11.998 -14.757 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.348 -13.761 -13.081 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.726 -13.531 -14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.781 -12.855 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.895 -11.838 -12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.319 -10.919 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.220 -10.223 -13.148 1.00 0.00 H new ATOM 312 N GLN A 108 31.417 -11.725 -16.462 1.00 0.00 N ATOM 313 CA GLN A 108 32.369 -12.380 -17.349 1.00 0.00 C ATOM 314 C GLN A 108 33.681 -11.587 -17.384 1.00 0.00 C ATOM 315 O GLN A 108 34.752 -12.162 -17.566 1.00 0.00 O ATOM 316 CB GLN A 108 31.752 -12.481 -18.750 1.00 0.00 C ATOM 317 CG GLN A 108 32.726 -13.165 -19.714 1.00 0.00 C ATOM 318 CD GLN A 108 32.087 -13.354 -21.086 1.00 0.00 C ATOM 319 OE1 GLN A 108 31.901 -14.480 -21.537 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.752 -12.246 -21.750 1.00 0.00 N ATOM 0 H GLN A 108 30.544 -11.450 -16.913 1.00 0.00 H new ATOM 0 HA GLN A 108 32.592 -13.383 -16.985 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.820 -13.044 -18.704 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.505 -11.485 -19.118 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.632 -12.566 -19.809 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.025 -14.133 -19.311 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.926 -11.331 -21.335 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.322 -12.315 -22.672 1.00 0.00 H new ATOM 329 N LYS A 109 33.586 -10.263 -17.213 1.00 0.00 N ATOM 330 CA LYS A 109 34.742 -9.384 -17.248 1.00 0.00 C ATOM 331 C LYS A 109 35.421 -9.334 -15.875 1.00 0.00 C ATOM 332 O LYS A 109 36.642 -9.443 -15.785 1.00 0.00 O ATOM 333 CB LYS A 109 34.273 -7.988 -17.683 1.00 0.00 C ATOM 334 CG LYS A 109 35.241 -7.405 -18.721 1.00 0.00 C ATOM 335 CD LYS A 109 34.561 -6.263 -19.491 1.00 0.00 C ATOM 336 CE LYS A 109 33.454 -6.828 -20.395 1.00 0.00 C ATOM 337 NZ LYS A 109 33.068 -5.864 -21.439 1.00 0.00 N ATOM 0 H LYS A 109 32.703 -9.780 -17.047 1.00 0.00 H new ATOM 0 HA LYS A 109 35.477 -9.760 -17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.269 -8.048 -18.104 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.216 -7.329 -16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 109 36.139 -7.036 -18.226 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.556 -8.185 -19.414 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.138 -5.542 -18.791 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.297 -5.730 -20.093 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.798 -7.752 -20.860 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.583 -7.081 -19.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.285 -6.255 -22.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.765 -4.974 -20.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.881 -5.681 -22.061 1.00 0.00 H new ATOM 351 N TYR A 110 34.624 -9.162 -14.811 1.00 0.00 N ATOM 352 CA TYR A 110 35.139 -9.076 -13.451 1.00 0.00 C ATOM 353 C TYR A 110 35.132 -10.464 -12.804 1.00 0.00 C ATOM 354 O TYR A 110 36.166 -11.127 -12.749 1.00 0.00 O ATOM 355 CB TYR A 110 34.283 -8.085 -12.648 1.00 0.00 C ATOM 356 CG TYR A 110 34.363 -6.661 -13.164 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.600 -5.990 -13.192 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.201 -6.005 -13.615 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.675 -4.671 -13.671 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.278 -4.686 -14.092 1.00 0.00 C ATOM 361 CZ TYR A 110 34.514 -4.020 -14.121 1.00 0.00 C ATOM 362 OH TYR A 110 34.586 -2.740 -14.587 1.00 0.00 O ATOM 0 H TYR A 110 33.609 -9.080 -14.876 1.00 0.00 H new ATOM 0 HA TYR A 110 36.168 -8.716 -13.464 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.244 -8.413 -12.670 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.601 -8.104 -11.606 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.493 -6.489 -12.845 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.250 -6.517 -13.594 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.625 -4.158 -13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.386 -4.184 -14.437 1.00 0.00 H new ATOM 0 HH TYR A 110 33.694 -2.440 -14.859 1.00 0.00 H new ATOM 372 N GLY A 111 33.965 -10.897 -12.314 1.00 0.00 N ATOM 373 CA GLY A 111 33.816 -12.194 -11.673 1.00 0.00 C ATOM 374 C GLY A 111 32.585 -12.177 -10.769 1.00 0.00 C ATOM 375 O GLY A 111 31.912 -11.151 -10.668 1.00 0.00 O ATOM 0 H GLY A 111 33.103 -10.354 -12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.716 -12.975 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.706 -12.427 -11.089 1.00 0.00 H new ATOM 379 N PRO A 112 32.285 -13.310 -10.102 1.00 0.00 N ATOM 380 CA PRO A 112 31.148 -13.424 -9.199 1.00 0.00 C ATOM 381 C PRO A 112 31.420 -12.695 -7.867 1.00 0.00 C ATOM 382 O PRO A 112 30.919 -13.105 -6.819 1.00 0.00 O ATOM 383 CB PRO A 112 30.973 -14.934 -8.985 1.00 0.00 C ATOM 384 CG PRO A 112 32.292 -15.585 -9.418 1.00 0.00 C ATOM 385 CD PRO A 112 33.053 -14.531 -10.225 1.00 0.00 C ATOM 0 HA PRO A 112 30.249 -12.962 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.754 -15.156 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.139 -15.316 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.871 -15.902 -8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.106 -16.475 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.064 -14.398 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.147 -14.830 -11.269 1.00 0.00 H new ATOM 393 N LYS A 113 32.215 -11.616 -7.912 1.00 0.00 N ATOM 394 CA LYS A 113 32.566 -10.839 -6.734 1.00 0.00 C ATOM 395 C LYS A 113 32.449 -9.356 -7.077 1.00 0.00 C ATOM 396 O LYS A 113 32.075 -9.007 -8.195 1.00 0.00 O ATOM 397 CB LYS A 113 34.007 -11.175 -6.295 1.00 0.00 C ATOM 398 CG LYS A 113 34.184 -12.688 -6.052 1.00 0.00 C ATOM 399 CD LYS A 113 33.468 -13.129 -4.765 1.00 0.00 C ATOM 400 CE LYS A 113 34.272 -12.691 -3.534 1.00 0.00 C ATOM 401 NZ LYS A 113 33.719 -13.285 -2.304 1.00 0.00 N ATOM 0 H LYS A 113 32.630 -11.264 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 113 31.892 -11.079 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.709 -10.844 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.248 -10.628 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.788 -13.245 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 113 35.245 -12.927 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.469 -12.695 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.345 -14.212 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.314 -12.990 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.259 -11.604 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.280 -12.974 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 32.732 -12.979 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.754 -14.322 -2.373 1.00 0.00 H new ATOM 415 N ARG A 114 32.774 -8.486 -6.109 1.00 0.00 N ATOM 416 CA ARG A 114 32.708 -7.041 -6.301 1.00 0.00 C ATOM 417 C ARG A 114 31.330 -6.656 -6.838 1.00 0.00 C ATOM 418 O ARG A 114 31.218 -5.956 -7.844 1.00 0.00 O ATOM 419 CB ARG A 114 33.822 -6.589 -7.258 1.00 0.00 C ATOM 420 CG ARG A 114 35.189 -6.994 -6.697 1.00 0.00 C ATOM 421 CD ARG A 114 36.298 -6.428 -7.589 1.00 0.00 C ATOM 422 NE ARG A 114 37.625 -6.861 -7.124 1.00 0.00 N ATOM 423 CZ ARG A 114 38.270 -6.293 -6.087 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.705 -5.287 -5.404 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.485 -6.736 -5.736 1.00 0.00 N ATOM 0 H ARG A 114 33.087 -8.768 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 114 32.857 -6.537 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.674 -7.039 -8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.781 -5.508 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.301 -6.621 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.266 -8.080 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.145 -6.756 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.247 -5.339 -7.591 1.00 0.00 H new ATOM 0 HE ARG A 114 38.080 -7.632 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.781 -4.947 -5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.200 -4.862 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.918 -7.501 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.977 -6.308 -4.951 1.00 0.00 H new ATOM 439 N TRP A 115 30.277 -7.119 -6.155 1.00 0.00 N ATOM 440 CA TRP A 115 28.910 -6.835 -6.556 1.00 0.00 C ATOM 441 C TRP A 115 28.627 -5.335 -6.468 1.00 0.00 C ATOM 442 O TRP A 115 27.669 -4.858 -7.063 1.00 0.00 O ATOM 443 CB TRP A 115 27.952 -7.649 -5.687 1.00 0.00 C ATOM 444 CG TRP A 115 28.054 -9.125 -5.923 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.498 -10.036 -5.041 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.737 -9.879 -7.131 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.496 -11.296 -5.593 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.033 -11.259 -6.895 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.236 -9.542 -8.410 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.846 -12.241 -7.871 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.043 -10.533 -9.396 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.352 -11.875 -9.128 1.00 0.00 C ATOM 0 H TRP A 115 30.355 -7.695 -5.317 1.00 0.00 H new ATOM 0 HA TRP A 115 28.761 -7.126 -7.596 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.157 -7.440 -4.637 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.930 -7.326 -5.883 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.814 -9.809 -4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.795 -12.142 -5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.998 -8.513 -8.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.081 -13.273 -7.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.654 -10.256 -10.365 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.209 -12.625 -9.892 1.00 0.00 H new ATOM 463 N SER A 116 29.472 -4.591 -5.742 1.00 0.00 N ATOM 464 CA SER A 116 29.341 -3.149 -5.645 1.00 0.00 C ATOM 465 C SER A 116 29.650 -2.527 -7.009 1.00 0.00 C ATOM 466 O SER A 116 28.931 -1.644 -7.470 1.00 0.00 O ATOM 467 CB SER A 116 30.306 -2.631 -4.577 1.00 0.00 C ATOM 468 OG SER A 116 31.584 -3.203 -4.775 1.00 0.00 O ATOM 0 H SER A 116 30.255 -4.976 -5.214 1.00 0.00 H new ATOM 0 HA SER A 116 28.325 -2.875 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.371 -1.544 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.934 -2.882 -3.584 1.00 0.00 H new ATOM 0 HG SER A 116 32.201 -2.869 -4.091 1.00 0.00 H new ATOM 474 N VAL A 117 30.725 -3.003 -7.653 1.00 0.00 N ATOM 475 CA VAL A 117 31.126 -2.521 -8.967 1.00 0.00 C ATOM 476 C VAL A 117 30.024 -2.836 -9.977 1.00 0.00 C ATOM 477 O VAL A 117 29.589 -1.959 -10.719 1.00 0.00 O ATOM 478 CB VAL A 117 32.455 -3.188 -9.367 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.809 -2.838 -10.816 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.574 -2.699 -8.441 1.00 0.00 C ATOM 0 H VAL A 117 31.333 -3.729 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 117 31.275 -1.441 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 117 32.347 -4.269 -9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.751 -3.316 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.019 -3.192 -11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.909 -1.757 -10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.514 -3.172 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.671 -1.617 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.334 -2.960 -7.410 1.00 0.00 H new ATOM 490 N ILE A 118 29.572 -4.093 -9.994 1.00 0.00 N ATOM 491 CA ILE A 118 28.520 -4.527 -10.903 1.00 0.00 C ATOM 492 C ILE A 118 27.246 -3.710 -10.649 1.00 0.00 C ATOM 493 O ILE A 118 26.582 -3.288 -11.594 1.00 0.00 O ATOM 494 CB ILE A 118 28.281 -6.035 -10.706 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.502 -6.814 -11.229 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.028 -6.475 -11.474 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.617 -8.162 -10.516 1.00 0.00 C ATOM 0 H ILE A 118 29.924 -4.829 -9.382 1.00 0.00 H new ATOM 0 HA ILE A 118 28.817 -4.359 -11.938 1.00 0.00 H new ATOM 0 HB ILE A 118 28.137 -6.240 -9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.409 -6.970 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.409 -6.232 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.868 -7.543 -11.328 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.163 -5.925 -11.104 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.162 -6.270 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.484 -8.702 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.732 -7.998 -9.445 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.716 -8.748 -10.699 1.00 0.00 H new ATOM 509 N ALA A 119 26.910 -3.486 -9.372 1.00 0.00 N ATOM 510 CA ALA A 119 25.723 -2.727 -8.999 1.00 0.00 C ATOM 511 C ALA A 119 25.813 -1.292 -9.521 1.00 0.00 C ATOM 512 O ALA A 119 24.825 -0.752 -10.009 1.00 0.00 O ATOM 513 CB ALA A 119 25.573 -2.733 -7.479 1.00 0.00 C ATOM 0 H ALA A 119 27.453 -3.826 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 119 24.847 -3.194 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.686 -2.166 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.473 -3.760 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.453 -2.278 -7.025 1.00 0.00 H new ATOM 519 N LYS A 120 26.999 -0.672 -9.420 1.00 0.00 N ATOM 520 CA LYS A 120 27.196 0.696 -9.892 1.00 0.00 C ATOM 521 C LYS A 120 26.867 0.797 -11.385 1.00 0.00 C ATOM 522 O LYS A 120 26.492 1.868 -11.861 1.00 0.00 O ATOM 523 CB LYS A 120 28.638 1.136 -9.621 1.00 0.00 C ATOM 524 CG LYS A 120 28.786 1.536 -8.148 1.00 0.00 C ATOM 525 CD LYS A 120 30.272 1.613 -7.761 1.00 0.00 C ATOM 526 CE LYS A 120 31.024 2.599 -8.668 1.00 0.00 C ATOM 527 NZ LYS A 120 30.409 3.939 -8.637 1.00 0.00 N ATOM 0 H LYS A 120 27.831 -1.101 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 120 26.522 1.361 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.327 0.326 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.900 1.976 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.308 2.501 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.276 0.811 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.365 1.926 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.724 0.624 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.064 2.667 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.028 2.223 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.039 4.621 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.496 3.913 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.258 4.229 -7.650 1.00 0.00 H new ATOM 541 N HIS A 121 27.002 -0.315 -12.119 1.00 0.00 N ATOM 542 CA HIS A 121 26.698 -0.344 -13.540 1.00 0.00 C ATOM 543 C HIS A 121 25.208 -0.618 -13.728 1.00 0.00 C ATOM 544 O HIS A 121 24.560 0.013 -14.563 1.00 0.00 O ATOM 545 CB HIS A 121 27.547 -1.422 -14.218 1.00 0.00 C ATOM 546 CG HIS A 121 29.014 -1.290 -13.899 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.635 -0.061 -13.709 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.010 -2.216 -13.722 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.930 -0.317 -13.438 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.225 -1.616 -13.432 1.00 0.00 N ATOM 0 H HIS A 121 27.322 -1.207 -11.742 1.00 0.00 H new ATOM 0 HA HIS A 121 26.934 0.617 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.198 -2.405 -13.904 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.407 -1.364 -15.297 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.195 0.858 -13.764 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.865 -3.283 -13.799 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.658 0.456 -13.244 1.00 0.00 H new ATOM 558 N LEU A 122 24.665 -1.558 -12.942 1.00 0.00 N ATOM 559 CA LEU A 122 23.254 -1.899 -13.007 1.00 0.00 C ATOM 560 C LEU A 122 22.448 -0.856 -12.234 1.00 0.00 C ATOM 561 O LEU A 122 22.111 -1.061 -11.067 1.00 0.00 O ATOM 562 CB LEU A 122 23.027 -3.307 -12.429 1.00 0.00 C ATOM 563 CG LEU A 122 22.901 -4.329 -13.562 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.251 -4.543 -14.239 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.406 -5.655 -12.992 1.00 0.00 C ATOM 0 H LEU A 122 25.193 -2.093 -12.253 1.00 0.00 H new ATOM 0 HA LEU A 122 22.922 -1.902 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.856 -3.578 -11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.124 -3.316 -11.819 1.00 0.00 H new ATOM 0 HG LEU A 122 22.193 -3.952 -14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.144 -5.272 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.605 -3.598 -14.652 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.970 -4.912 -13.508 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.315 -6.385 -13.796 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.116 -6.019 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.433 -5.509 -12.523 1.00 0.00 H new ATOM 577 N LYS A 123 22.140 0.266 -12.896 1.00 0.00 N ATOM 578 CA LYS A 123 21.366 1.343 -12.292 1.00 0.00 C ATOM 579 C LYS A 123 19.918 0.885 -12.093 1.00 0.00 C ATOM 580 O LYS A 123 19.028 1.264 -12.854 1.00 0.00 O ATOM 581 CB LYS A 123 21.434 2.582 -13.193 1.00 0.00 C ATOM 582 CG LYS A 123 22.861 3.145 -13.194 1.00 0.00 C ATOM 583 CD LYS A 123 23.029 4.176 -14.319 1.00 0.00 C ATOM 584 CE LYS A 123 22.092 5.372 -14.098 1.00 0.00 C ATOM 585 NZ LYS A 123 20.810 5.190 -14.806 1.00 0.00 N ATOM 0 H LYS A 123 22.421 0.447 -13.860 1.00 0.00 H new ATOM 0 HA LYS A 123 21.780 1.600 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.135 2.322 -14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.735 3.339 -12.839 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.076 3.609 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.578 2.335 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.063 4.519 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.814 3.711 -15.281 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.906 5.498 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.576 6.284 -14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.733 5.891 -15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.769 4.232 -15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.023 5.318 -14.138 1.00 0.00 H new ATOM 599 N GLY A 124 19.696 0.064 -11.065 1.00 0.00 N ATOM 600 CA GLY A 124 18.385 -0.477 -10.760 1.00 0.00 C ATOM 601 C GLY A 124 18.519 -1.644 -9.784 1.00 0.00 C ATOM 602 O GLY A 124 17.606 -1.900 -8.997 1.00 0.00 O ATOM 0 H GLY A 124 20.428 -0.241 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.753 0.299 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.898 -0.812 -11.676 1.00 0.00 H new ATOM 606 N ARG A 125 19.665 -2.344 -9.838 1.00 0.00 N ATOM 607 CA ARG A 125 19.948 -3.461 -8.950 1.00 0.00 C ATOM 608 C ARG A 125 21.162 -3.108 -8.092 1.00 0.00 C ATOM 609 O ARG A 125 22.274 -3.008 -8.609 1.00 0.00 O ATOM 610 CB ARG A 125 20.241 -4.730 -9.772 1.00 0.00 C ATOM 611 CG ARG A 125 19.112 -5.035 -10.771 1.00 0.00 C ATOM 612 CD ARG A 125 17.779 -5.242 -10.041 1.00 0.00 C ATOM 613 NE ARG A 125 17.107 -6.479 -10.465 1.00 0.00 N ATOM 614 CZ ARG A 125 16.459 -6.609 -11.636 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.033 -6.223 -12.773 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.229 -7.135 -11.663 1.00 0.00 N ATOM 0 H ARG A 125 20.414 -2.144 -10.501 1.00 0.00 H new ATOM 0 HA ARG A 125 19.084 -3.652 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.180 -4.605 -10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.370 -5.578 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.018 -4.214 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.360 -5.928 -11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.955 -5.275 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.125 -4.391 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 125 17.134 -7.282 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.972 -5.825 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.534 -6.325 -13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.784 -7.437 -10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.736 -7.234 -12.550 1.00 0.00 H new ATOM 630 N ILE A 126 20.956 -2.923 -6.782 1.00 0.00 N ATOM 631 CA ILE A 126 22.050 -2.600 -5.876 1.00 0.00 C ATOM 632 C ILE A 126 22.862 -3.871 -5.591 1.00 0.00 C ATOM 633 O ILE A 126 22.637 -4.908 -6.220 1.00 0.00 O ATOM 634 CB ILE A 126 21.503 -1.964 -4.581 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.558 -2.936 -3.855 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.750 -0.673 -4.929 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.342 -2.474 -2.412 1.00 0.00 C ATOM 0 H ILE A 126 20.043 -2.993 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 126 22.712 -1.868 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 126 22.339 -1.738 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.602 -2.985 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.979 -3.941 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.362 -0.221 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.430 0.024 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.922 -0.904 -5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.672 -3.168 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.299 -2.448 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.901 -1.477 -2.411 1.00 0.00 H new ATOM 649 N GLY A 127 23.808 -3.791 -4.645 1.00 0.00 N ATOM 650 CA GLY A 127 24.652 -4.925 -4.294 1.00 0.00 C ATOM 651 C GLY A 127 23.863 -5.950 -3.479 1.00 0.00 C ATOM 652 O GLY A 127 24.130 -6.139 -2.293 1.00 0.00 O ATOM 0 H GLY A 127 24.003 -2.944 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.038 -5.392 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.513 -4.581 -3.721 1.00 0.00 H new ATOM 656 N LYS A 128 22.894 -6.612 -4.122 1.00 0.00 N ATOM 657 CA LYS A 128 22.073 -7.619 -3.471 1.00 0.00 C ATOM 658 C LYS A 128 21.350 -8.451 -4.529 1.00 0.00 C ATOM 659 O LYS A 128 21.531 -9.666 -4.592 1.00 0.00 O ATOM 660 CB LYS A 128 21.072 -6.934 -2.529 1.00 0.00 C ATOM 661 CG LYS A 128 20.383 -7.987 -1.651 1.00 0.00 C ATOM 662 CD LYS A 128 19.281 -7.335 -0.798 1.00 0.00 C ATOM 663 CE LYS A 128 19.855 -6.213 0.082 1.00 0.00 C ATOM 664 NZ LYS A 128 21.028 -6.670 0.852 1.00 0.00 N ATOM 0 H LYS A 128 22.664 -6.460 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 128 22.701 -8.286 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.587 -6.205 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.328 -6.387 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.952 -8.768 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.117 -8.467 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.505 -6.931 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.809 -8.090 -0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.138 -5.367 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.085 -5.858 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 21.233 -5.988 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.828 -7.602 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.851 -6.743 0.220 1.00 0.00 H new ATOM 678 N GLN A 129 20.529 -7.795 -5.361 1.00 0.00 N ATOM 679 CA GLN A 129 19.773 -8.481 -6.401 1.00 0.00 C ATOM 680 C GLN A 129 20.731 -9.082 -7.431 1.00 0.00 C ATOM 681 O GLN A 129 20.460 -10.144 -7.981 1.00 0.00 O ATOM 682 CB GLN A 129 18.800 -7.510 -7.079 1.00 0.00 C ATOM 683 CG GLN A 129 17.938 -6.792 -6.033 1.00 0.00 C ATOM 684 CD GLN A 129 18.408 -5.358 -5.836 1.00 0.00 C ATOM 685 OE1 GLN A 129 19.580 -5.124 -5.574 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.490 -4.398 -5.969 1.00 0.00 N ATOM 0 H GLN A 129 20.376 -6.787 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 129 19.196 -9.286 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.357 -6.778 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.160 -8.054 -7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.895 -6.797 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.986 -7.328 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.524 -4.643 -6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.754 -3.420 -5.851 1.00 0.00 H new ATOM 695 N CYS A 130 21.855 -8.398 -7.688 1.00 0.00 N ATOM 696 CA CYS A 130 22.854 -8.883 -8.631 1.00 0.00 C ATOM 697 C CYS A 130 23.373 -10.239 -8.162 1.00 0.00 C ATOM 698 O CYS A 130 23.355 -11.212 -8.917 1.00 0.00 O ATOM 699 CB CYS A 130 23.999 -7.871 -8.730 1.00 0.00 C ATOM 700 SG CYS A 130 23.359 -6.320 -9.408 1.00 0.00 S ATOM 0 H CYS A 130 22.089 -7.506 -7.251 1.00 0.00 H new ATOM 0 HA CYS A 130 22.408 -9.000 -9.619 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.436 -7.700 -7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.792 -8.261 -9.367 1.00 0.00 H new ATOM 0 HG CYS A 130 22.968 -5.550 -8.436 1.00 0.00 H new ATOM 706 N ARG A 131 23.830 -10.298 -6.904 1.00 0.00 N ATOM 707 CA ARG A 131 24.335 -11.526 -6.317 1.00 0.00 C ATOM 708 C ARG A 131 23.236 -12.588 -6.329 1.00 0.00 C ATOM 709 O ARG A 131 23.486 -13.732 -6.694 1.00 0.00 O ATOM 710 CB ARG A 131 24.811 -11.234 -4.884 1.00 0.00 C ATOM 711 CG ARG A 131 25.636 -12.409 -4.341 1.00 0.00 C ATOM 712 CD ARG A 131 24.738 -13.373 -3.559 1.00 0.00 C ATOM 713 NE ARG A 131 25.479 -14.579 -3.174 1.00 0.00 N ATOM 714 CZ ARG A 131 24.881 -15.690 -2.708 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.549 -15.732 -2.568 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.620 -16.758 -2.383 1.00 0.00 N ATOM 0 H ARG A 131 23.856 -9.495 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 131 25.178 -11.905 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.412 -10.324 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.951 -11.057 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.116 -12.936 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.431 -12.036 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.354 -12.877 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.876 -13.649 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 131 26.495 -14.575 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.984 -14.919 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.100 -16.577 -2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.634 -16.728 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.169 -17.602 -2.029 1.00 0.00 H new ATOM 730 N GLU A 132 22.019 -12.199 -5.926 1.00 0.00 N ATOM 731 CA GLU A 132 20.878 -13.103 -5.884 1.00 0.00 C ATOM 732 C GLU A 132 20.696 -13.774 -7.244 1.00 0.00 C ATOM 733 O GLU A 132 20.875 -14.981 -7.368 1.00 0.00 O ATOM 734 CB GLU A 132 19.629 -12.293 -5.493 1.00 0.00 C ATOM 735 CG GLU A 132 18.378 -13.179 -5.478 1.00 0.00 C ATOM 736 CD GLU A 132 17.118 -12.317 -5.452 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.794 -11.814 -4.357 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.500 -12.170 -6.532 1.00 0.00 O ATOM 0 H GLU A 132 21.805 -11.249 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 132 21.041 -13.888 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.774 -11.847 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.489 -11.473 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.369 -13.822 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.398 -13.833 -4.606 1.00 0.00 H new ATOM 745 N ARG A 133 20.336 -12.980 -8.256 1.00 0.00 N ATOM 746 CA ARG A 133 20.078 -13.477 -9.601 1.00 0.00 C ATOM 747 C ARG A 133 21.133 -14.498 -10.018 1.00 0.00 C ATOM 748 O ARG A 133 20.796 -15.588 -10.490 1.00 0.00 O ATOM 749 CB ARG A 133 20.071 -12.285 -10.569 1.00 0.00 C ATOM 750 CG ARG A 133 19.626 -12.724 -11.970 1.00 0.00 C ATOM 751 CD ARG A 133 18.138 -13.081 -11.967 1.00 0.00 C ATOM 752 NE ARG A 133 17.644 -13.238 -13.340 1.00 0.00 N ATOM 753 CZ ARG A 133 16.413 -13.690 -13.635 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.585 -14.064 -12.656 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.016 -13.760 -14.909 1.00 0.00 N ATOM 0 H ARG A 133 20.216 -11.972 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 133 19.111 -13.979 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.400 -11.511 -10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.067 -11.846 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.814 -11.924 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.213 -13.584 -12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.981 -14.005 -11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.572 -12.301 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 133 18.266 -12.992 -14.110 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.887 -14.007 -11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.651 -14.407 -12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.647 -13.471 -15.656 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.082 -14.103 -15.134 1.00 0.00 H new ATOM 769 N TRP A 134 22.406 -14.139 -9.854 1.00 0.00 N ATOM 770 CA TRP A 134 23.504 -14.991 -10.263 1.00 0.00 C ATOM 771 C TRP A 134 23.526 -16.298 -9.465 1.00 0.00 C ATOM 772 O TRP A 134 23.508 -17.373 -10.052 1.00 0.00 O ATOM 773 CB TRP A 134 24.821 -14.228 -10.102 1.00 0.00 C ATOM 774 CG TRP A 134 25.912 -14.715 -10.995 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.005 -15.395 -10.609 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.030 -14.577 -12.439 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.798 -15.700 -11.689 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.238 -15.215 -12.858 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.241 -13.977 -13.446 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.633 -15.258 -14.197 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.637 -14.016 -14.791 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.826 -14.661 -15.169 1.00 0.00 C ATOM 0 H TRP A 134 22.696 -13.255 -9.436 1.00 0.00 H new ATOM 0 HA TRP A 134 23.369 -15.260 -11.311 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.645 -13.171 -10.302 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.151 -14.305 -9.066 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.230 -15.665 -9.588 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.678 -16.213 -11.636 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.320 -13.481 -13.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.553 -15.748 -14.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.022 -13.545 -15.543 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.116 -14.695 -16.209 1.00 0.00 H new ATOM 793 N HIS A 135 23.577 -16.207 -8.129 1.00 0.00 N ATOM 794 CA HIS A 135 23.681 -17.386 -7.267 1.00 0.00 C ATOM 795 C HIS A 135 22.345 -18.140 -7.139 1.00 0.00 C ATOM 796 O HIS A 135 22.175 -18.928 -6.210 1.00 0.00 O ATOM 797 CB HIS A 135 24.199 -16.952 -5.893 1.00 0.00 C ATOM 798 CG HIS A 135 25.658 -16.574 -5.926 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.662 -17.421 -5.472 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.315 -15.450 -6.358 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.830 -16.771 -5.649 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.687 -15.559 -6.186 1.00 0.00 N ATOM 0 H HIS A 135 23.548 -15.322 -7.622 1.00 0.00 H new ATOM 0 HA HIS A 135 24.382 -18.085 -7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.614 -16.104 -5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.052 -17.762 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.824 -14.586 -6.780 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.788 -17.191 -5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.411 -14.878 -6.415 1.00 0.00 H new ATOM 810 N ASN A 136 21.411 -17.917 -8.072 1.00 0.00 N ATOM 811 CA ASN A 136 20.137 -18.634 -8.094 1.00 0.00 C ATOM 812 C ASN A 136 20.047 -19.411 -9.383 1.00 0.00 C ATOM 813 O ASN A 136 19.937 -20.635 -9.381 1.00 0.00 O ATOM 814 CB ASN A 136 18.967 -17.648 -8.015 1.00 0.00 C ATOM 815 CG ASN A 136 18.628 -17.334 -6.576 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.538 -17.645 -6.105 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.565 -16.721 -5.881 1.00 0.00 N ATOM 0 H ASN A 136 21.519 -17.239 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 136 20.085 -19.306 -7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.223 -16.729 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.095 -18.070 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.401 -16.483 -4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.454 -16.485 -6.321 1.00 0.00 H new ATOM 824 N HIS A 137 20.082 -18.673 -10.483 1.00 0.00 N ATOM 825 CA HIS A 137 19.964 -19.249 -11.814 1.00 0.00 C ATOM 826 C HIS A 137 21.348 -19.475 -12.442 1.00 0.00 C ATOM 827 O HIS A 137 22.151 -20.242 -11.915 1.00 0.00 O ATOM 828 CB HIS A 137 19.101 -18.324 -12.676 1.00 0.00 C ATOM 829 CG HIS A 137 17.773 -18.016 -12.045 1.00 0.00 C ATOM 830 ND1 HIS A 137 17.008 -18.967 -11.379 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.052 -16.860 -11.960 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.898 -18.336 -10.946 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.863 -17.041 -11.269 1.00 0.00 N ATOM 0 H HIS A 137 20.193 -17.659 -10.478 1.00 0.00 H new ATOM 0 HA HIS A 137 19.485 -20.226 -11.749 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.639 -17.393 -12.853 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.938 -18.788 -13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.369 -15.917 -12.380 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.114 -18.830 -10.392 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.139 -16.353 -11.059 1.00 0.00 H new ATOM 841 N LEU A 138 21.608 -18.814 -13.580 1.00 0.00 N ATOM 842 CA LEU A 138 22.851 -18.971 -14.319 1.00 0.00 C ATOM 843 C LEU A 138 24.054 -18.559 -13.463 1.00 0.00 C ATOM 844 O LEU A 138 24.205 -17.391 -13.113 1.00 0.00 O ATOM 845 CB LEU A 138 22.786 -18.152 -15.627 1.00 0.00 C ATOM 846 CG LEU A 138 22.206 -16.740 -15.381 1.00 0.00 C ATOM 847 CD1 LEU A 138 23.025 -15.709 -16.152 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.752 -16.672 -15.870 1.00 0.00 C ATOM 0 H LEU A 138 20.955 -18.157 -14.007 1.00 0.00 H new ATOM 0 HA LEU A 138 22.981 -20.023 -14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.785 -18.067 -16.055 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.170 -18.678 -16.357 1.00 0.00 H new ATOM 0 HG LEU A 138 22.244 -16.530 -14.312 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.615 -14.714 -15.978 1.00 0.00 H new ATOM 0 HD12 LEU A 138 24.060 -15.739 -15.813 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.986 -15.936 -17.217 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.354 -15.673 -15.691 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.716 -16.891 -16.937 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.152 -17.403 -15.329 1.00 0.00 H new