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 109 LYS NZ :NH3+ -173:sc= 0.838 (180deg=0.0132) USER MOD Set 1.2: A 110 TYR OH : rot -155:sc= 1.92 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.517 K(o=3.3,f=0.15) USER MOD Set 2.1: A 97 LYS NZ :NH3+ -159:sc= 1.16 (180deg=-0.151) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.871 K(o=2,f=-5.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 108 GLN : amide:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 164:sc= -0.0281 (180deg=-0.267) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.0056 (180deg=-0.217) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -162:sc= 1.29 (180deg=0.584) USER MOD Single : A 129 GLN : amide:sc= -0.649 K(o=-0.65,f=-4) USER MOD Single : A 130 CYS SG : rot 87:sc= 0.405 USER MOD Single : A 135 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.0022) USER MOD Single : A 136 ASN : amide:sc= 0.991 K(o=0.99,f=-0.034) USER MOD Single : A 137 HIS : no HD1:sc= -0.784 X(o=-0.78,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.005 -9.429 -13.617 1.00 0.00 N ATOM 85 CA TRP A 95 14.227 -9.375 -14.425 1.00 0.00 C ATOM 86 C TRP A 95 13.903 -9.623 -15.907 1.00 0.00 C ATOM 87 O TRP A 95 12.823 -10.106 -16.245 1.00 0.00 O ATOM 88 CB TRP A 95 15.266 -10.386 -13.906 1.00 0.00 C ATOM 89 CG TRP A 95 16.066 -9.916 -12.728 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.663 -9.928 -11.446 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.416 -9.363 -12.700 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.636 -9.425 -10.617 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.752 -9.053 -11.343 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.396 -9.088 -13.679 1.00 0.00 C ATOM 95 CZ2 TRP A 95 18.985 -8.497 -10.985 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.638 -8.522 -13.323 1.00 0.00 C ATOM 97 CH2 TRP A 95 19.931 -8.227 -11.978 1.00 0.00 C ATOM 0 HA TRP A 95 14.658 -8.378 -14.336 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.751 -11.307 -13.634 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.951 -10.631 -14.718 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.701 -10.286 -11.111 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.547 -9.338 -9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.192 -9.314 -14.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.204 -8.278 -9.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.370 -8.313 -14.089 1.00 0.00 H new ATOM 0 HH2 TRP A 95 20.884 -7.793 -11.714 1.00 0.00 H new ATOM 108 N THR A 96 14.852 -9.282 -16.792 1.00 0.00 N ATOM 109 CA THR A 96 14.687 -9.476 -18.230 1.00 0.00 C ATOM 110 C THR A 96 15.970 -10.074 -18.798 1.00 0.00 C ATOM 111 O THR A 96 17.025 -9.988 -18.171 1.00 0.00 O ATOM 112 CB THR A 96 14.353 -8.139 -18.923 1.00 0.00 C ATOM 113 OG1 THR A 96 15.537 -7.407 -19.160 1.00 0.00 O ATOM 114 CG2 THR A 96 13.407 -7.306 -18.052 1.00 0.00 C ATOM 0 H THR A 96 15.746 -8.868 -16.528 1.00 0.00 H new ATOM 0 HA THR A 96 13.858 -10.159 -18.413 1.00 0.00 H new ATOM 0 HB THR A 96 13.864 -8.357 -19.872 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.315 -6.561 -19.602 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.182 -6.366 -18.556 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.483 -7.860 -17.886 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.883 -7.099 -17.093 1.00 0.00 H new ATOM 122 N LYS A 97 15.880 -10.679 -19.989 1.00 0.00 N ATOM 123 CA LYS A 97 17.034 -11.292 -20.630 1.00 0.00 C ATOM 124 C LYS A 97 18.154 -10.266 -20.787 1.00 0.00 C ATOM 125 O LYS A 97 19.309 -10.584 -20.546 1.00 0.00 O ATOM 126 CB LYS A 97 16.623 -11.857 -21.994 1.00 0.00 C ATOM 127 CG LYS A 97 17.809 -12.598 -22.625 1.00 0.00 C ATOM 128 CD LYS A 97 17.389 -13.191 -23.973 1.00 0.00 C ATOM 129 CE LYS A 97 18.543 -14.007 -24.570 1.00 0.00 C ATOM 130 NZ LYS A 97 19.701 -13.150 -24.892 1.00 0.00 N ATOM 0 H LYS A 97 15.015 -10.753 -20.524 1.00 0.00 H new ATOM 0 HA LYS A 97 17.403 -12.108 -20.008 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.778 -12.536 -21.878 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.296 -11.050 -22.649 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.646 -11.914 -22.763 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.151 -13.390 -21.959 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.513 -13.826 -23.843 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.105 -12.392 -24.658 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.846 -14.780 -23.864 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.202 -14.515 -25.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.301 -13.627 -25.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.366 -12.245 -25.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.253 -12.973 -24.028 1.00 0.00 H new ATOM 144 N GLU A 98 17.806 -9.040 -21.195 1.00 0.00 N ATOM 145 CA GLU A 98 18.785 -7.980 -21.395 1.00 0.00 C ATOM 146 C GLU A 98 19.429 -7.608 -20.062 1.00 0.00 C ATOM 147 O GLU A 98 20.654 -7.542 -19.959 1.00 0.00 O ATOM 148 CB GLU A 98 18.098 -6.759 -22.017 1.00 0.00 C ATOM 149 CG GLU A 98 19.157 -5.754 -22.486 1.00 0.00 C ATOM 150 CD GLU A 98 18.573 -4.352 -22.579 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.653 -4.174 -23.402 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.061 -3.484 -21.821 1.00 0.00 O ATOM 0 H GLU A 98 16.845 -8.762 -21.393 1.00 0.00 H new ATOM 0 HA GLU A 98 19.565 -8.329 -22.071 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.478 -7.068 -22.858 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.436 -6.291 -21.288 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.998 -5.756 -21.793 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.545 -6.056 -23.459 1.00 0.00 H new ATOM 159 N GLU A 99 18.597 -7.364 -19.042 1.00 0.00 N ATOM 160 CA GLU A 99 19.079 -6.997 -17.719 1.00 0.00 C ATOM 161 C GLU A 99 20.077 -8.053 -17.240 1.00 0.00 C ATOM 162 O GLU A 99 21.146 -7.720 -16.730 1.00 0.00 O ATOM 163 CB GLU A 99 17.883 -6.893 -16.762 1.00 0.00 C ATOM 164 CG GLU A 99 17.771 -5.470 -16.212 1.00 0.00 C ATOM 165 CD GLU A 99 16.444 -5.270 -15.489 1.00 0.00 C ATOM 166 OE1 GLU A 99 15.844 -6.298 -15.096 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.052 -4.097 -15.334 1.00 0.00 O ATOM 0 H GLU A 99 17.581 -7.417 -19.116 1.00 0.00 H new ATOM 0 HA GLU A 99 19.584 -6.032 -17.749 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.965 -7.162 -17.284 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.002 -7.600 -15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.596 -5.274 -15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.857 -4.752 -17.028 1.00 0.00 H new ATOM 174 N ASP A 100 19.722 -9.330 -17.420 1.00 0.00 N ATOM 175 CA ASP A 100 20.584 -10.437 -17.046 1.00 0.00 C ATOM 176 C ASP A 100 21.846 -10.428 -17.908 1.00 0.00 C ATOM 177 O ASP A 100 22.939 -10.659 -17.403 1.00 0.00 O ATOM 178 CB ASP A 100 19.820 -11.754 -17.220 1.00 0.00 C ATOM 179 CG ASP A 100 19.091 -12.126 -15.943 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.749 -12.708 -15.056 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.884 -11.824 -15.872 1.00 0.00 O ATOM 0 H ASP A 100 18.832 -9.616 -17.828 1.00 0.00 H new ATOM 0 HA ASP A 100 20.881 -10.335 -16.002 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.106 -11.660 -18.038 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.514 -12.549 -17.493 1.00 0.00 H new ATOM 186 N GLN A 101 21.691 -10.160 -19.213 1.00 0.00 N ATOM 187 CA GLN A 101 22.815 -10.124 -20.141 1.00 0.00 C ATOM 188 C GLN A 101 23.883 -9.159 -19.636 1.00 0.00 C ATOM 189 O GLN A 101 25.073 -9.454 -19.721 1.00 0.00 O ATOM 190 CB GLN A 101 22.326 -9.702 -21.536 1.00 0.00 C ATOM 191 CG GLN A 101 23.146 -10.412 -22.615 1.00 0.00 C ATOM 192 CD GLN A 101 22.745 -11.882 -22.725 1.00 0.00 C ATOM 193 OE1 GLN A 101 21.657 -12.199 -23.208 1.00 0.00 O ATOM 194 NE2 GLN A 101 23.622 -12.781 -22.275 1.00 0.00 N ATOM 0 H GLN A 101 20.788 -9.965 -19.645 1.00 0.00 H new ATOM 0 HA GLN A 101 23.254 -11.120 -20.209 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.270 -9.947 -21.650 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.416 -8.622 -21.651 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.997 -9.917 -23.575 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.208 -10.337 -22.379 1.00 0.00 H new ATOM 0 HE21 GLN A 101 24.512 -12.473 -21.883 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.403 -13.776 -22.323 1.00 0.00 H new ATOM 203 N ARG A 102 23.458 -8.003 -19.112 1.00 0.00 N ATOM 204 CA ARG A 102 24.383 -7.006 -18.605 1.00 0.00 C ATOM 205 C ARG A 102 25.185 -7.590 -17.440 1.00 0.00 C ATOM 206 O ARG A 102 26.404 -7.478 -17.418 1.00 0.00 O ATOM 207 CB ARG A 102 23.603 -5.760 -18.174 1.00 0.00 C ATOM 208 CG ARG A 102 23.024 -5.061 -19.410 1.00 0.00 C ATOM 209 CD ARG A 102 22.032 -3.977 -18.977 1.00 0.00 C ATOM 210 NE ARG A 102 21.363 -3.378 -20.143 1.00 0.00 N ATOM 211 CZ ARG A 102 21.924 -2.430 -20.916 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.161 -1.984 -20.656 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.239 -1.933 -21.950 1.00 0.00 N ATOM 0 H ARG A 102 22.475 -7.743 -19.032 1.00 0.00 H new ATOM 0 HA ARG A 102 25.085 -6.718 -19.387 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.800 -6.040 -17.492 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.258 -5.078 -17.632 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.828 -4.617 -19.998 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.525 -5.789 -20.050 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.287 -4.407 -18.307 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.556 -3.203 -18.416 1.00 0.00 H new ATOM 0 HE ARG A 102 20.424 -3.699 -20.378 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.685 -2.363 -19.867 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.579 -1.265 -21.247 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.298 -2.272 -22.149 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.657 -1.214 -22.541 1.00 0.00 H new ATOM 227 N VAL A 103 24.501 -8.219 -16.474 1.00 0.00 N ATOM 228 CA VAL A 103 25.170 -8.815 -15.321 1.00 0.00 C ATOM 229 C VAL A 103 26.146 -9.898 -15.788 1.00 0.00 C ATOM 230 O VAL A 103 27.292 -9.930 -15.344 1.00 0.00 O ATOM 231 CB VAL A 103 24.124 -9.396 -14.356 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.825 -10.131 -13.208 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.274 -8.263 -13.779 1.00 0.00 C ATOM 0 H VAL A 103 23.487 -8.325 -16.473 1.00 0.00 H new ATOM 0 HA VAL A 103 25.737 -8.049 -14.793 1.00 0.00 H new ATOM 0 HB VAL A 103 23.488 -10.094 -14.900 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.078 -10.540 -12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.431 -10.942 -13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.465 -9.434 -12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.533 -8.676 -13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.915 -7.565 -13.241 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.767 -7.739 -14.590 1.00 0.00 H new ATOM 243 N ILE A 104 25.690 -10.781 -16.686 1.00 0.00 N ATOM 244 CA ILE A 104 26.522 -11.855 -17.215 1.00 0.00 C ATOM 245 C ILE A 104 27.801 -11.266 -17.815 1.00 0.00 C ATOM 246 O ILE A 104 28.902 -11.719 -17.501 1.00 0.00 O ATOM 247 CB ILE A 104 25.727 -12.642 -18.276 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.617 -13.464 -17.601 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.670 -13.583 -19.042 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.618 -13.965 -18.648 1.00 0.00 C ATOM 0 H ILE A 104 24.741 -10.767 -17.060 1.00 0.00 H new ATOM 0 HA ILE A 104 26.802 -12.538 -16.413 1.00 0.00 H new ATOM 0 HB ILE A 104 25.275 -11.936 -18.973 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.053 -14.310 -17.070 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.102 -12.853 -16.860 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.103 -14.136 -19.790 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.446 -12.998 -19.535 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.131 -14.283 -18.345 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.837 -14.546 -18.157 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.170 -13.113 -19.160 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.135 -14.593 -19.373 1.00 0.00 H new ATOM 262 N GLU A 105 27.649 -10.257 -18.679 1.00 0.00 N ATOM 263 CA GLU A 105 28.778 -9.619 -19.334 1.00 0.00 C ATOM 264 C GLU A 105 29.717 -9.001 -18.294 1.00 0.00 C ATOM 265 O GLU A 105 30.930 -9.167 -18.378 1.00 0.00 O ATOM 266 CB GLU A 105 28.253 -8.549 -20.302 1.00 0.00 C ATOM 267 CG GLU A 105 29.382 -8.062 -21.217 1.00 0.00 C ATOM 268 CD GLU A 105 29.841 -9.170 -22.158 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.035 -9.534 -23.041 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.987 -9.633 -21.974 1.00 0.00 O ATOM 0 H GLU A 105 26.743 -9.867 -18.938 1.00 0.00 H new ATOM 0 HA GLU A 105 29.346 -10.361 -19.895 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.440 -8.958 -20.902 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.843 -7.710 -19.740 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.040 -7.206 -21.798 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.223 -7.722 -20.613 1.00 0.00 H new ATOM 277 N LEU A 106 29.154 -8.285 -17.315 1.00 0.00 N ATOM 278 CA LEU A 106 29.947 -7.629 -16.283 1.00 0.00 C ATOM 279 C LEU A 106 30.724 -8.660 -15.460 1.00 0.00 C ATOM 280 O LEU A 106 31.855 -8.395 -15.059 1.00 0.00 O ATOM 281 CB LEU A 106 29.032 -6.793 -15.385 1.00 0.00 C ATOM 282 CG LEU A 106 28.517 -5.563 -16.150 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.397 -4.902 -15.344 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.655 -4.559 -16.364 1.00 0.00 C ATOM 0 H LEU A 106 28.148 -8.148 -17.220 1.00 0.00 H new ATOM 0 HA LEU A 106 30.672 -6.969 -16.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.191 -7.398 -15.046 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.575 -6.476 -14.495 1.00 0.00 H new ATOM 0 HG LEU A 106 28.137 -5.878 -17.122 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.028 -4.029 -15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.582 -5.612 -15.203 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.782 -4.593 -14.372 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.278 -3.692 -16.907 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.046 -4.240 -15.398 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.452 -5.030 -16.940 1.00 0.00 H new ATOM 296 N VAL A 107 30.132 -9.835 -15.208 1.00 0.00 N ATOM 297 CA VAL A 107 30.805 -10.877 -14.456 1.00 0.00 C ATOM 298 C VAL A 107 31.930 -11.454 -15.314 1.00 0.00 C ATOM 299 O VAL A 107 33.019 -11.703 -14.816 1.00 0.00 O ATOM 300 CB VAL A 107 29.789 -11.951 -14.039 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.506 -13.266 -13.750 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.067 -11.494 -12.770 1.00 0.00 C ATOM 0 H VAL A 107 29.191 -10.078 -15.517 1.00 0.00 H new ATOM 0 HA VAL A 107 31.244 -10.473 -13.544 1.00 0.00 H new ATOM 0 HB VAL A 107 29.074 -12.098 -14.849 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.777 -14.021 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.031 -13.599 -14.646 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.223 -13.119 -12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.344 -12.253 -12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.793 -11.348 -11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.548 -10.555 -12.965 1.00 0.00 H new ATOM 312 N GLN A 108 31.671 -11.651 -16.610 1.00 0.00 N ATOM 313 CA GLN A 108 32.686 -12.150 -17.523 1.00 0.00 C ATOM 314 C GLN A 108 33.841 -11.143 -17.595 1.00 0.00 C ATOM 315 O GLN A 108 35.001 -11.530 -17.719 1.00 0.00 O ATOM 316 CB GLN A 108 32.059 -12.366 -18.905 1.00 0.00 C ATOM 317 CG GLN A 108 32.991 -13.220 -19.772 1.00 0.00 C ATOM 318 CD GLN A 108 32.456 -13.347 -21.196 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.175 -13.083 -22.155 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.194 -13.753 -21.332 1.00 0.00 N ATOM 0 H GLN A 108 30.766 -11.471 -17.044 1.00 0.00 H new ATOM 0 HA GLN A 108 33.079 -13.103 -17.168 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.091 -12.857 -18.802 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.879 -11.405 -19.387 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.985 -12.773 -19.792 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.097 -14.211 -19.330 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.633 -13.961 -20.506 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.789 -13.855 -22.262 1.00 0.00 H new ATOM 329 N LYS A 109 33.508 -9.848 -17.515 1.00 0.00 N ATOM 330 CA LYS A 109 34.489 -8.777 -17.570 1.00 0.00 C ATOM 331 C LYS A 109 35.357 -8.780 -16.308 1.00 0.00 C ATOM 332 O LYS A 109 36.577 -8.904 -16.396 1.00 0.00 O ATOM 333 CB LYS A 109 33.747 -7.440 -17.717 1.00 0.00 C ATOM 334 CG LYS A 109 34.745 -6.300 -17.941 1.00 0.00 C ATOM 335 CD LYS A 109 34.014 -4.958 -17.835 1.00 0.00 C ATOM 336 CE LYS A 109 35.021 -3.810 -17.946 1.00 0.00 C ATOM 337 NZ LYS A 109 34.391 -2.518 -17.616 1.00 0.00 N ATOM 0 H LYS A 109 32.547 -9.522 -17.410 1.00 0.00 H new ATOM 0 HA LYS A 109 35.149 -8.924 -18.425 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.051 -7.493 -18.554 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.156 -7.244 -16.823 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.544 -6.351 -17.202 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.211 -6.397 -18.922 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.267 -4.877 -18.625 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.482 -4.897 -16.886 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.860 -3.991 -17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.425 -3.773 -18.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.059 -1.746 -17.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.536 -2.391 -18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.133 -2.505 -16.608 1.00 0.00 H new ATOM 351 N TYR A 110 34.725 -8.626 -15.135 1.00 0.00 N ATOM 352 CA TYR A 110 35.442 -8.563 -13.869 1.00 0.00 C ATOM 353 C TYR A 110 35.634 -9.964 -13.292 1.00 0.00 C ATOM 354 O TYR A 110 36.751 -10.476 -13.263 1.00 0.00 O ATOM 355 CB TYR A 110 34.659 -7.682 -12.885 1.00 0.00 C ATOM 356 CG TYR A 110 34.392 -6.281 -13.395 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.451 -5.476 -13.856 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.079 -5.779 -13.399 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.192 -4.175 -14.323 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.824 -4.482 -13.864 1.00 0.00 C ATOM 361 CZ TYR A 110 33.878 -3.679 -14.326 1.00 0.00 C ATOM 362 OH TYR A 110 33.624 -2.418 -14.781 1.00 0.00 O ATOM 0 H TYR A 110 33.712 -8.543 -15.045 1.00 0.00 H new ATOM 0 HA TYR A 110 36.427 -8.128 -14.037 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.708 -8.163 -12.659 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.214 -7.618 -11.949 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.461 -5.857 -13.851 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.266 -6.394 -13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.003 -3.557 -14.679 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.814 -4.099 -13.867 1.00 0.00 H new ATOM 0 HH TYR A 110 32.798 -2.083 -14.373 1.00 0.00 H new ATOM 372 N GLY A 111 34.540 -10.572 -12.825 1.00 0.00 N ATOM 373 CA GLY A 111 34.572 -11.892 -12.220 1.00 0.00 C ATOM 374 C GLY A 111 33.479 -11.987 -11.157 1.00 0.00 C ATOM 375 O GLY A 111 32.668 -11.068 -11.022 1.00 0.00 O ATOM 0 H GLY A 111 33.609 -10.156 -12.859 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.422 -12.657 -12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.548 -12.075 -11.772 1.00 0.00 H new ATOM 379 N PRO A 112 33.458 -13.092 -10.395 1.00 0.00 N ATOM 380 CA PRO A 112 32.499 -13.292 -9.331 1.00 0.00 C ATOM 381 C PRO A 112 32.688 -12.229 -8.245 1.00 0.00 C ATOM 382 O PRO A 112 33.689 -11.510 -8.243 1.00 0.00 O ATOM 383 CB PRO A 112 32.762 -14.702 -8.791 1.00 0.00 C ATOM 384 CG PRO A 112 34.014 -15.225 -9.507 1.00 0.00 C ATOM 385 CD PRO A 112 34.389 -14.182 -10.560 1.00 0.00 C ATOM 0 HA PRO A 112 31.471 -13.198 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.915 -14.680 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.909 -15.353 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.831 -15.372 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.818 -16.191 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.415 -13.842 -10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.324 -14.601 -11.564 1.00 0.00 H new ATOM 393 N LYS A 113 31.718 -12.131 -7.325 1.00 0.00 N ATOM 394 CA LYS A 113 31.757 -11.142 -6.251 1.00 0.00 C ATOM 395 C LYS A 113 31.772 -9.737 -6.866 1.00 0.00 C ATOM 396 O LYS A 113 31.242 -9.536 -7.958 1.00 0.00 O ATOM 397 CB LYS A 113 32.985 -11.371 -5.342 1.00 0.00 C ATOM 398 CG LYS A 113 33.125 -12.853 -4.957 1.00 0.00 C ATOM 399 CD LYS A 113 31.879 -13.326 -4.195 1.00 0.00 C ATOM 400 CE LYS A 113 32.075 -14.771 -3.717 1.00 0.00 C ATOM 401 NZ LYS A 113 33.125 -14.861 -2.684 1.00 0.00 N ATOM 0 H LYS A 113 30.894 -12.731 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 113 30.870 -11.245 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.887 -11.039 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.891 -10.766 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.262 -13.457 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 113 34.012 -12.993 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 113 31.695 -12.673 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 113 31.002 -13.263 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.136 -15.154 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.342 -15.403 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 33.051 -15.775 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.060 -14.783 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.004 -14.089 -1.998 1.00 0.00 H new ATOM 415 N ARG A 114 32.380 -8.767 -6.160 1.00 0.00 N ATOM 416 CA ARG A 114 32.469 -7.386 -6.633 1.00 0.00 C ATOM 417 C ARG A 114 31.090 -6.890 -7.072 1.00 0.00 C ATOM 418 O ARG A 114 30.957 -6.222 -8.100 1.00 0.00 O ATOM 419 CB ARG A 114 33.481 -7.300 -7.787 1.00 0.00 C ATOM 420 CG ARG A 114 34.870 -7.731 -7.299 1.00 0.00 C ATOM 421 CD ARG A 114 35.832 -7.828 -8.486 1.00 0.00 C ATOM 422 NE ARG A 114 36.019 -6.520 -9.128 1.00 0.00 N ATOM 423 CZ ARG A 114 36.857 -6.324 -10.160 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.577 -7.345 -10.646 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.971 -5.106 -10.705 1.00 0.00 N ATOM 0 H ARG A 114 32.819 -8.923 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 114 32.814 -6.745 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.161 -7.939 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.521 -6.281 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.248 -7.013 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.805 -8.694 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.795 -8.210 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.445 -8.541 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 114 35.488 -5.724 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.489 -8.273 -10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.212 -7.194 -11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.422 -4.329 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.607 -4.955 -11.488 1.00 0.00 H new ATOM 439 N TRP A 115 30.066 -7.226 -6.285 1.00 0.00 N ATOM 440 CA TRP A 115 28.698 -6.853 -6.590 1.00 0.00 C ATOM 441 C TRP A 115 28.508 -5.344 -6.481 1.00 0.00 C ATOM 442 O TRP A 115 27.576 -4.804 -7.061 1.00 0.00 O ATOM 443 CB TRP A 115 27.763 -7.617 -5.658 1.00 0.00 C ATOM 444 CG TRP A 115 27.857 -9.097 -5.828 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.260 -9.975 -4.897 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.584 -9.891 -7.019 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.265 -11.256 -5.400 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.860 -11.262 -6.724 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.137 -9.594 -8.328 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.712 -12.274 -7.676 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.983 -10.613 -9.287 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.279 -11.943 -8.966 1.00 0.00 C ATOM 0 H TRP A 115 30.169 -7.762 -5.423 1.00 0.00 H new ATOM 0 HA TRP A 115 28.461 -7.120 -7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.997 -7.359 -4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.736 -7.300 -5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.543 -9.712 -3.888 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.530 -12.086 -4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.911 -8.572 -8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.929 -13.300 -7.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.634 -10.367 -10.279 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.173 -12.715 -9.714 1.00 0.00 H new ATOM 463 N SER A 116 29.398 -4.661 -5.754 1.00 0.00 N ATOM 464 CA SER A 116 29.337 -3.215 -5.637 1.00 0.00 C ATOM 465 C SER A 116 29.644 -2.590 -7.000 1.00 0.00 C ATOM 466 O SER A 116 28.970 -1.654 -7.423 1.00 0.00 O ATOM 467 CB SER A 116 30.342 -2.744 -4.582 1.00 0.00 C ATOM 468 OG SER A 116 29.998 -3.290 -3.326 1.00 0.00 O ATOM 0 H SER A 116 30.166 -5.093 -5.241 1.00 0.00 H new ATOM 0 HA SER A 116 28.340 -2.905 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.349 -3.053 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.346 -1.655 -4.528 1.00 0.00 H new ATOM 0 HG SER A 116 30.642 -2.990 -2.651 1.00 0.00 H new ATOM 474 N VAL A 117 30.665 -3.121 -7.686 1.00 0.00 N ATOM 475 CA VAL A 117 31.058 -2.629 -8.998 1.00 0.00 C ATOM 476 C VAL A 117 29.964 -2.961 -10.012 1.00 0.00 C ATOM 477 O VAL A 117 29.533 -2.094 -10.767 1.00 0.00 O ATOM 478 CB VAL A 117 32.397 -3.266 -9.407 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.833 -2.723 -10.770 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.470 -2.934 -8.364 1.00 0.00 C ATOM 0 H VAL A 117 31.233 -3.897 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 117 31.187 -1.547 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 117 32.272 -4.347 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.782 -3.177 -11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.076 -2.964 -11.517 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.952 -1.641 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.416 -3.388 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.591 -1.853 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.167 -3.325 -7.393 1.00 0.00 H new ATOM 490 N ILE A 118 29.516 -4.222 -10.024 1.00 0.00 N ATOM 491 CA ILE A 118 28.474 -4.667 -10.940 1.00 0.00 C ATOM 492 C ILE A 118 27.210 -3.820 -10.738 1.00 0.00 C ATOM 493 O ILE A 118 26.590 -3.394 -11.709 1.00 0.00 O ATOM 494 CB ILE A 118 28.200 -6.164 -10.700 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.414 -6.986 -11.174 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.952 -6.605 -11.477 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.423 -8.359 -10.501 1.00 0.00 C ATOM 0 H ILE A 118 29.865 -4.952 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 118 28.797 -4.538 -11.973 1.00 0.00 H new ATOM 0 HB ILE A 118 28.032 -6.330 -9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.380 -7.105 -12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.336 -6.453 -10.940 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.769 -7.665 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.091 -6.027 -11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.109 -6.437 -12.543 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.286 -8.928 -10.846 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.480 -8.234 -9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.509 -8.896 -10.757 1.00 0.00 H new ATOM 509 N ALA A 119 26.836 -3.576 -9.475 1.00 0.00 N ATOM 510 CA ALA A 119 25.648 -2.795 -9.146 1.00 0.00 C ATOM 511 C ALA A 119 25.776 -1.359 -9.659 1.00 0.00 C ATOM 512 O ALA A 119 24.799 -0.789 -10.139 1.00 0.00 O ATOM 513 CB ALA A 119 25.445 -2.798 -7.633 1.00 0.00 C ATOM 0 H ALA A 119 27.349 -3.914 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 119 24.784 -3.248 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.558 -2.215 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.315 -3.823 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.316 -2.358 -7.148 1.00 0.00 H new ATOM 519 N LYS A 120 26.979 -0.771 -9.556 1.00 0.00 N ATOM 520 CA LYS A 120 27.209 0.600 -10.008 1.00 0.00 C ATOM 521 C LYS A 120 26.909 0.736 -11.506 1.00 0.00 C ATOM 522 O LYS A 120 26.705 1.848 -11.991 1.00 0.00 O ATOM 523 CB LYS A 120 28.653 1.013 -9.702 1.00 0.00 C ATOM 524 CG LYS A 120 28.759 1.461 -8.239 1.00 0.00 C ATOM 525 CD LYS A 120 30.232 1.524 -7.804 1.00 0.00 C ATOM 526 CE LYS A 120 31.036 2.455 -8.723 1.00 0.00 C ATOM 527 NZ LYS A 120 30.446 3.806 -8.775 1.00 0.00 N ATOM 0 H LYS A 120 27.802 -1.227 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 120 26.533 1.265 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.328 0.178 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.959 1.823 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.295 2.440 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.213 0.768 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.297 1.878 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.665 0.524 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.064 2.520 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.072 2.034 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.107 4.455 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.552 3.774 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.263 4.142 -7.808 1.00 0.00 H new ATOM 541 N HIS A 121 26.875 -0.389 -12.235 1.00 0.00 N ATOM 542 CA HIS A 121 26.570 -0.385 -13.655 1.00 0.00 C ATOM 543 C HIS A 121 25.106 -0.759 -13.829 1.00 0.00 C ATOM 544 O HIS A 121 24.373 -0.104 -14.573 1.00 0.00 O ATOM 545 CB HIS A 121 27.475 -1.382 -14.378 1.00 0.00 C ATOM 546 CG HIS A 121 28.934 -1.189 -14.057 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.535 0.062 -13.993 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.937 -2.077 -13.773 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.832 -0.146 -13.685 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.144 -1.434 -13.540 1.00 0.00 N ATOM 0 H HIS A 121 27.058 -1.316 -11.851 1.00 0.00 H new ATOM 0 HA HIS A 121 26.746 0.602 -14.083 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.180 -2.396 -14.107 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.329 -1.284 -15.454 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.083 0.963 -14.149 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.804 -3.148 -13.735 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.548 0.654 -13.567 1.00 0.00 H new ATOM 558 N LEU A 122 24.684 -1.815 -13.124 1.00 0.00 N ATOM 559 CA LEU A 122 23.313 -2.278 -13.156 1.00 0.00 C ATOM 560 C LEU A 122 22.486 -1.415 -12.190 1.00 0.00 C ATOM 561 O LEU A 122 21.971 -1.902 -11.182 1.00 0.00 O ATOM 562 CB LEU A 122 23.287 -3.775 -12.769 1.00 0.00 C ATOM 563 CG LEU A 122 22.221 -4.545 -13.570 1.00 0.00 C ATOM 564 CD1 LEU A 122 20.906 -3.766 -13.617 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.717 -4.798 -14.996 1.00 0.00 C ATOM 0 H LEU A 122 25.292 -2.366 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 122 22.880 -2.182 -14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.268 -4.216 -12.949 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.084 -3.873 -11.703 1.00 0.00 H new ATOM 0 HG LEU A 122 22.045 -5.498 -13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.169 -4.330 -14.188 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.538 -3.612 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.072 -2.800 -14.094 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.956 -5.343 -15.555 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.915 -3.845 -15.487 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.634 -5.386 -14.963 1.00 0.00 H new ATOM 577 N LYS A 123 22.375 -0.119 -12.508 1.00 0.00 N ATOM 578 CA LYS A 123 21.656 0.835 -11.675 1.00 0.00 C ATOM 579 C LYS A 123 20.252 0.318 -11.359 1.00 0.00 C ATOM 580 O LYS A 123 19.576 -0.228 -12.230 1.00 0.00 O ATOM 581 CB LYS A 123 21.590 2.184 -12.398 1.00 0.00 C ATOM 582 CG LYS A 123 22.999 2.787 -12.493 1.00 0.00 C ATOM 583 CD LYS A 123 22.938 4.177 -13.137 1.00 0.00 C ATOM 584 CE LYS A 123 22.646 4.051 -14.637 1.00 0.00 C ATOM 585 NZ LYS A 123 22.767 5.356 -15.312 1.00 0.00 N ATOM 0 H LYS A 123 22.782 0.290 -13.349 1.00 0.00 H new ATOM 0 HA LYS A 123 22.184 0.962 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.171 2.053 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.928 2.864 -11.861 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.440 2.858 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.643 2.134 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.163 4.775 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.883 4.698 -12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.338 3.340 -15.087 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.641 3.654 -14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.564 5.243 -16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.089 6.026 -14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.733 5.721 -15.191 1.00 0.00 H new ATOM 599 N GLY A 124 19.826 0.493 -10.101 1.00 0.00 N ATOM 600 CA GLY A 124 18.520 0.040 -9.644 1.00 0.00 C ATOM 601 C GLY A 124 18.670 -1.273 -8.884 1.00 0.00 C ATOM 602 O GLY A 124 18.040 -1.469 -7.845 1.00 0.00 O ATOM 0 H GLY A 124 20.381 0.952 -9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.067 0.794 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.853 -0.095 -10.495 1.00 0.00 H new ATOM 606 N ARG A 125 19.514 -2.170 -9.406 1.00 0.00 N ATOM 607 CA ARG A 125 19.760 -3.462 -8.790 1.00 0.00 C ATOM 608 C ARG A 125 21.041 -3.375 -7.969 1.00 0.00 C ATOM 609 O ARG A 125 22.136 -3.485 -8.515 1.00 0.00 O ATOM 610 CB ARG A 125 19.889 -4.540 -9.882 1.00 0.00 C ATOM 611 CG ARG A 125 18.670 -4.522 -10.819 1.00 0.00 C ATOM 612 CD ARG A 125 17.444 -5.124 -10.119 1.00 0.00 C ATOM 613 NE ARG A 125 16.220 -4.862 -10.888 1.00 0.00 N ATOM 614 CZ ARG A 125 15.962 -5.424 -12.082 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.797 -6.330 -12.596 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.868 -5.074 -12.764 1.00 0.00 N ATOM 0 H ARG A 125 20.041 -2.014 -10.265 1.00 0.00 H new ATOM 0 HA ARG A 125 18.931 -3.733 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.798 -4.372 -10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.982 -5.522 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.455 -3.498 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.892 -5.086 -11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.580 -6.199 -9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.347 -4.702 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 125 15.530 -4.221 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.636 -6.599 -12.083 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.596 -6.753 -13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.227 -4.380 -12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.673 -5.501 -13.670 1.00 0.00 H new ATOM 630 N ILE A 126 20.909 -3.171 -6.652 1.00 0.00 N ATOM 631 CA ILE A 126 22.072 -3.062 -5.783 1.00 0.00 C ATOM 632 C ILE A 126 22.758 -4.427 -5.653 1.00 0.00 C ATOM 633 O ILE A 126 22.355 -5.401 -6.299 1.00 0.00 O ATOM 634 CB ILE A 126 21.666 -2.495 -4.409 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.629 -3.402 -3.735 1.00 0.00 C ATOM 636 CG2 ILE A 126 21.081 -1.089 -4.588 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.712 -3.243 -2.216 1.00 0.00 C ATOM 0 H ILE A 126 20.012 -3.080 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 126 22.787 -2.368 -6.224 1.00 0.00 H new ATOM 0 HB ILE A 126 22.551 -2.448 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.628 -3.146 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.807 -4.441 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.794 -0.688 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.829 -0.439 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.204 -1.139 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.973 -3.889 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.709 -3.521 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.512 -2.206 -1.947 1.00 0.00 H new ATOM 649 N GLY A 127 23.801 -4.489 -4.820 1.00 0.00 N ATOM 650 CA GLY A 127 24.574 -5.704 -4.623 1.00 0.00 C ATOM 651 C GLY A 127 23.683 -6.895 -4.262 1.00 0.00 C ATOM 652 O GLY A 127 23.977 -8.020 -4.653 1.00 0.00 O ATOM 0 H GLY A 127 24.127 -3.696 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.132 -5.930 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.305 -5.545 -3.831 1.00 0.00 H new ATOM 656 N LYS A 128 22.598 -6.653 -3.514 1.00 0.00 N ATOM 657 CA LYS A 128 21.705 -7.719 -3.090 1.00 0.00 C ATOM 658 C LYS A 128 21.024 -8.332 -4.312 1.00 0.00 C ATOM 659 O LYS A 128 21.090 -9.542 -4.516 1.00 0.00 O ATOM 660 CB LYS A 128 20.681 -7.146 -2.089 1.00 0.00 C ATOM 661 CG LYS A 128 19.447 -8.057 -1.960 1.00 0.00 C ATOM 662 CD LYS A 128 19.844 -9.437 -1.424 1.00 0.00 C ATOM 663 CE LYS A 128 18.628 -10.366 -1.475 1.00 0.00 C ATOM 664 NZ LYS A 128 18.986 -11.738 -1.079 1.00 0.00 N ATOM 0 H LYS A 128 22.324 -5.724 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 128 22.263 -8.511 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.151 -7.029 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.369 -6.153 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 128 18.719 -7.598 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 128 18.965 -8.164 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.658 -9.851 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.209 -9.352 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.849 -9.986 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.215 -10.372 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.250 -12.397 -1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.897 -11.997 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.063 -11.791 -0.043 1.00 0.00 H new ATOM 678 N GLN A 129 20.367 -7.495 -5.117 1.00 0.00 N ATOM 679 CA GLN A 129 19.657 -7.954 -6.299 1.00 0.00 C ATOM 680 C GLN A 129 20.604 -8.687 -7.249 1.00 0.00 C ATOM 681 O GLN A 129 20.283 -9.776 -7.718 1.00 0.00 O ATOM 682 CB GLN A 129 19.017 -6.754 -7.005 1.00 0.00 C ATOM 683 CG GLN A 129 17.734 -6.327 -6.281 1.00 0.00 C ATOM 684 CD GLN A 129 18.014 -5.295 -5.197 1.00 0.00 C ATOM 685 OE1 GLN A 129 18.515 -5.631 -4.131 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.681 -4.033 -5.470 1.00 0.00 N ATOM 0 H GLN A 129 20.316 -6.488 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 129 18.878 -8.653 -5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.721 -5.922 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.789 -7.012 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.029 -5.914 -7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.259 -7.202 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.266 -3.799 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.841 -3.302 -4.777 1.00 0.00 H new ATOM 695 N CYS A 130 21.765 -8.089 -7.539 1.00 0.00 N ATOM 696 CA CYS A 130 22.728 -8.685 -8.460 1.00 0.00 C ATOM 697 C CYS A 130 23.210 -10.036 -7.927 1.00 0.00 C ATOM 698 O CYS A 130 23.168 -11.037 -8.642 1.00 0.00 O ATOM 699 CB CYS A 130 23.914 -7.737 -8.661 1.00 0.00 C ATOM 700 SG CYS A 130 23.347 -6.233 -9.493 1.00 0.00 S ATOM 0 H CYS A 130 22.057 -7.193 -7.147 1.00 0.00 H new ATOM 0 HA CYS A 130 22.241 -8.849 -9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.361 -7.487 -7.699 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.687 -8.225 -9.255 1.00 0.00 H new ATOM 0 HG CYS A 130 22.927 -5.379 -8.607 1.00 0.00 H new ATOM 706 N ARG A 131 23.673 -10.058 -6.672 1.00 0.00 N ATOM 707 CA ARG A 131 24.187 -11.271 -6.051 1.00 0.00 C ATOM 708 C ARG A 131 23.127 -12.373 -6.069 1.00 0.00 C ATOM 709 O ARG A 131 23.418 -13.503 -6.446 1.00 0.00 O ATOM 710 CB ARG A 131 24.627 -10.941 -4.616 1.00 0.00 C ATOM 711 CG ARG A 131 25.297 -12.157 -3.958 1.00 0.00 C ATOM 712 CD ARG A 131 24.242 -13.089 -3.338 1.00 0.00 C ATOM 713 NE ARG A 131 24.566 -13.404 -1.939 1.00 0.00 N ATOM 714 CZ ARG A 131 25.602 -14.183 -1.576 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.406 -14.715 -2.505 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.829 -14.425 -0.278 1.00 0.00 N ATOM 0 H ARG A 131 23.699 -9.238 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 131 25.046 -11.641 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.320 -10.100 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.763 -10.633 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.881 -12.702 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.992 -11.823 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.261 -12.617 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.183 -14.011 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 131 23.975 -13.012 -1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.235 -14.531 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.190 -15.305 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.218 -14.020 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.613 -15.015 0.001 1.00 0.00 H new ATOM 730 N GLU A 132 21.900 -12.044 -5.656 1.00 0.00 N ATOM 731 CA GLU A 132 20.816 -13.013 -5.600 1.00 0.00 C ATOM 732 C GLU A 132 20.491 -13.535 -6.998 1.00 0.00 C ATOM 733 O GLU A 132 20.355 -14.740 -7.187 1.00 0.00 O ATOM 734 CB GLU A 132 19.593 -12.354 -4.955 1.00 0.00 C ATOM 735 CG GLU A 132 18.545 -13.414 -4.608 1.00 0.00 C ATOM 736 CD GLU A 132 17.433 -12.812 -3.759 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.700 -11.961 -4.304 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.343 -13.210 -2.575 1.00 0.00 O ATOM 0 H GLU A 132 21.637 -11.106 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 132 21.118 -13.869 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.892 -11.819 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.165 -11.618 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.125 -13.831 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.016 -14.236 -4.070 1.00 0.00 H new ATOM 745 N ARG A 133 20.370 -12.637 -7.980 1.00 0.00 N ATOM 746 CA ARG A 133 20.061 -13.037 -9.346 1.00 0.00 C ATOM 747 C ARG A 133 21.078 -14.079 -9.829 1.00 0.00 C ATOM 748 O ARG A 133 20.742 -14.954 -10.627 1.00 0.00 O ATOM 749 CB ARG A 133 20.067 -11.796 -10.256 1.00 0.00 C ATOM 750 CG ARG A 133 19.664 -12.165 -11.696 1.00 0.00 C ATOM 751 CD ARG A 133 18.223 -12.683 -11.728 1.00 0.00 C ATOM 752 NE ARG A 133 17.748 -12.845 -13.106 1.00 0.00 N ATOM 753 CZ ARG A 133 16.563 -13.401 -13.413 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.793 -13.911 -12.448 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.152 -13.444 -14.684 1.00 0.00 N ATOM 0 H ARG A 133 20.482 -11.632 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 133 19.070 -13.490 -9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.378 -11.049 -9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.060 -11.346 -10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.758 -11.292 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.340 -12.926 -12.087 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.166 -13.638 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.572 -11.989 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 133 18.345 -12.521 -13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.104 -13.879 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.894 -14.333 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.738 -13.055 -15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.253 -13.866 -14.915 1.00 0.00 H new ATOM 769 N TRP A 134 22.322 -13.980 -9.346 1.00 0.00 N ATOM 770 CA TRP A 134 23.381 -14.879 -9.759 1.00 0.00 C ATOM 771 C TRP A 134 23.367 -16.184 -8.954 1.00 0.00 C ATOM 772 O TRP A 134 23.301 -17.263 -9.534 1.00 0.00 O ATOM 773 CB TRP A 134 24.726 -14.168 -9.606 1.00 0.00 C ATOM 774 CG TRP A 134 25.794 -14.719 -10.486 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.827 -15.487 -10.098 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.941 -14.564 -11.921 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.609 -15.832 -11.174 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.100 -15.288 -12.340 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.211 -13.884 -12.922 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.498 -15.343 -13.677 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.609 -13.938 -14.262 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.738 -14.676 -14.644 1.00 0.00 C ATOM 0 H TRP A 134 22.611 -13.278 -8.665 1.00 0.00 H new ATOM 0 HA TRP A 134 23.221 -15.148 -10.803 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.595 -13.109 -9.827 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.049 -14.239 -8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.016 -15.791 -9.079 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.448 -16.409 -11.121 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.334 -13.315 -12.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.382 -15.894 -13.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.040 -13.406 -15.010 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.021 -14.730 -15.685 1.00 0.00 H new ATOM 793 N HIS A 135 23.449 -16.089 -7.621 1.00 0.00 N ATOM 794 CA HIS A 135 23.553 -17.266 -6.754 1.00 0.00 C ATOM 795 C HIS A 135 22.222 -18.029 -6.621 1.00 0.00 C ATOM 796 O HIS A 135 21.974 -18.648 -5.587 1.00 0.00 O ATOM 797 CB HIS A 135 24.061 -16.819 -5.377 1.00 0.00 C ATOM 798 CG HIS A 135 25.517 -16.427 -5.396 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.517 -17.243 -4.879 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.175 -15.315 -5.858 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.682 -16.589 -5.055 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.542 -15.401 -5.645 1.00 0.00 N ATOM 0 H HIS A 135 23.445 -15.202 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 135 24.256 -17.963 -7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.465 -15.974 -5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.915 -17.627 -4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.687 -14.475 -6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.637 -16.988 -4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.265 -14.721 -5.882 1.00 0.00 H new ATOM 810 N ASN A 136 21.376 -18.008 -7.660 1.00 0.00 N ATOM 811 CA ASN A 136 20.120 -18.754 -7.650 1.00 0.00 C ATOM 812 C ASN A 136 19.841 -19.323 -9.031 1.00 0.00 C ATOM 813 O ASN A 136 19.814 -20.538 -9.213 1.00 0.00 O ATOM 814 CB ASN A 136 18.965 -17.844 -7.223 1.00 0.00 C ATOM 815 CG ASN A 136 18.979 -17.614 -5.723 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.311 -18.323 -4.975 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.739 -16.621 -5.286 1.00 0.00 N ATOM 0 H ASN A 136 21.543 -17.480 -8.517 1.00 0.00 H new ATOM 0 HA ASN A 136 20.208 -19.573 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.040 -16.888 -7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.016 -18.293 -7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.788 -16.417 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.276 -16.060 -5.948 1.00 0.00 H new ATOM 824 N HIS A 137 19.614 -18.437 -9.997 1.00 0.00 N ATOM 825 CA HIS A 137 19.252 -18.844 -11.351 1.00 0.00 C ATOM 826 C HIS A 137 20.471 -19.319 -12.145 1.00 0.00 C ATOM 827 O HIS A 137 20.573 -20.502 -12.463 1.00 0.00 O ATOM 828 CB HIS A 137 18.572 -17.675 -12.068 1.00 0.00 C ATOM 829 CG HIS A 137 17.486 -17.046 -11.250 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.166 -17.478 -11.274 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.504 -16.005 -10.372 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.485 -16.681 -10.425 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.248 -15.755 -9.841 1.00 0.00 N ATOM 0 H HIS A 137 19.675 -17.427 -9.866 1.00 0.00 H new ATOM 0 HA HIS A 137 18.562 -19.685 -11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.320 -16.921 -12.313 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.153 -18.027 -13.011 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.390 -15.442 -10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.426 -16.782 -10.236 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.974 -15.039 -9.169 1.00 0.00 H new ATOM 841 N LEU A 138 21.378 -18.391 -12.487 1.00 0.00 N ATOM 842 CA LEU A 138 22.532 -18.701 -13.328 1.00 0.00 C ATOM 843 C LEU A 138 23.842 -18.363 -12.620 1.00 0.00 C ATOM 844 O LEU A 138 24.071 -17.219 -12.236 1.00 0.00 O ATOM 845 CB LEU A 138 22.423 -17.921 -14.652 1.00 0.00 C ATOM 846 CG LEU A 138 22.032 -16.453 -14.388 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.878 -15.528 -15.244 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.559 -16.237 -14.737 1.00 0.00 C ATOM 0 H LEU A 138 21.329 -17.417 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 138 22.535 -19.772 -13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.375 -17.960 -15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.680 -18.390 -15.296 1.00 0.00 H new ATOM 0 HG LEU A 138 22.199 -16.233 -13.334 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.595 -14.493 -15.051 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.931 -15.668 -15.000 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.716 -15.758 -16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.289 -15.198 -14.548 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.397 -16.469 -15.790 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.940 -16.890 -14.122 1.00 0.00 H new