USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 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+ -142:sc= 0.481 (180deg=0.0805) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 121 HIS : no HE2:sc= -0.807 K(o=-0.33,f=-1.5) USER MOD Set 2.1: A 116 SER OG : rot -179:sc= 0.692 USER MOD Set 2.2: A 120 LYS NZ :NH3+ 176:sc= 0.802 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.401 K(o=0.4,f=-0.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0966) USER MOD Single : A 123 LYS NZ :NH3+ -165:sc= 1.22 (180deg=0.997) USER MOD Single : A 128 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.89) USER MOD Single : A 129 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.4) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.0578 USER MOD Single : A 135 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.035) USER MOD Single : A 136 ASN : amide:sc= 0.852 K(o=0.85,f=-0.1) USER MOD Single : A 137 HIS : no HE2:sc= 0.0274 K(o=0.027,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.267 -9.292 -13.429 1.00 0.00 N ATOM 85 CA TRP A 95 14.549 -9.165 -14.090 1.00 0.00 C ATOM 86 C TRP A 95 14.358 -9.232 -15.595 1.00 0.00 C ATOM 87 O TRP A 95 13.655 -10.107 -16.102 1.00 0.00 O ATOM 88 CB TRP A 95 15.493 -10.252 -13.592 1.00 0.00 C ATOM 89 CG TRP A 95 16.351 -9.805 -12.460 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.957 -9.675 -11.185 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.742 -9.374 -12.485 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.984 -9.202 -10.399 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.124 -8.989 -11.161 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.723 -9.255 -13.495 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.404 -8.510 -10.861 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.011 -8.770 -13.199 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.351 -8.392 -11.887 1.00 0.00 C ATOM 0 HA TRP A 95 14.996 -8.200 -13.853 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.909 -11.117 -13.278 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.128 -10.579 -14.415 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.967 -9.910 -10.823 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.916 -9.032 -9.396 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.481 -9.540 -14.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.660 -8.234 -9.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.745 -8.687 -13.987 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.339 -8.012 -11.671 1.00 0.00 H new ATOM 108 N THR A 96 14.978 -8.288 -16.301 1.00 0.00 N ATOM 109 CA THR A 96 14.844 -8.174 -17.736 1.00 0.00 C ATOM 110 C THR A 96 16.014 -8.878 -18.426 1.00 0.00 C ATOM 111 O THR A 96 17.089 -9.022 -17.842 1.00 0.00 O ATOM 112 CB THR A 96 14.772 -6.682 -18.109 1.00 0.00 C ATOM 113 OG1 THR A 96 16.076 -6.156 -18.244 1.00 0.00 O ATOM 114 CG2 THR A 96 14.017 -5.903 -17.014 1.00 0.00 C ATOM 0 H THR A 96 15.587 -7.583 -15.885 1.00 0.00 H new ATOM 0 HA THR A 96 13.929 -8.660 -18.074 1.00 0.00 H new ATOM 0 HB THR A 96 14.242 -6.581 -19.056 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.023 -5.207 -18.483 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.970 -4.848 -17.285 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.006 -6.298 -16.918 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.541 -6.011 -16.064 1.00 0.00 H new ATOM 122 N LYS A 97 15.796 -9.317 -19.672 1.00 0.00 N ATOM 123 CA LYS A 97 16.815 -10.013 -20.448 1.00 0.00 C ATOM 124 C LYS A 97 18.093 -9.176 -20.518 1.00 0.00 C ATOM 125 O LYS A 97 19.189 -9.702 -20.354 1.00 0.00 O ATOM 126 CB LYS A 97 16.268 -10.277 -21.856 1.00 0.00 C ATOM 127 CG LYS A 97 17.310 -11.025 -22.694 1.00 0.00 C ATOM 128 CD LYS A 97 16.770 -11.236 -24.109 1.00 0.00 C ATOM 129 CE LYS A 97 17.849 -11.885 -24.977 1.00 0.00 C ATOM 130 NZ LYS A 97 17.405 -12.000 -26.377 1.00 0.00 N ATOM 0 H LYS A 97 14.910 -9.198 -20.164 1.00 0.00 H new ATOM 0 HA LYS A 97 17.060 -10.961 -19.968 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.351 -10.863 -21.794 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.012 -9.333 -22.338 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.240 -10.457 -22.729 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.540 -11.986 -22.234 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.883 -11.868 -24.080 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.467 -10.282 -24.540 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.763 -11.293 -24.930 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.089 -12.874 -24.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.156 -12.443 -26.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.546 -12.585 -26.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.199 -11.053 -26.755 1.00 0.00 H new ATOM 144 N GLU A 98 17.940 -7.875 -20.770 1.00 0.00 N ATOM 145 CA GLU A 98 19.068 -6.964 -20.888 1.00 0.00 C ATOM 146 C GLU A 98 19.837 -6.917 -19.571 1.00 0.00 C ATOM 147 O GLU A 98 21.064 -7.000 -19.564 1.00 0.00 O ATOM 148 CB GLU A 98 18.553 -5.565 -21.267 1.00 0.00 C ATOM 149 CG GLU A 98 19.147 -5.139 -22.612 1.00 0.00 C ATOM 150 CD GLU A 98 18.698 -6.077 -23.729 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.470 -6.292 -23.831 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.590 -6.561 -24.457 1.00 0.00 O ATOM 0 H GLU A 98 17.031 -7.429 -20.897 1.00 0.00 H new ATOM 0 HA GLU A 98 19.745 -7.315 -21.667 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.465 -5.572 -21.326 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.826 -4.846 -20.495 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.839 -4.119 -22.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.235 -5.137 -22.549 1.00 0.00 H new ATOM 159 N GLU A 99 19.111 -6.784 -18.458 1.00 0.00 N ATOM 160 CA GLU A 99 19.718 -6.726 -17.139 1.00 0.00 C ATOM 161 C GLU A 99 20.531 -8.001 -16.889 1.00 0.00 C ATOM 162 O GLU A 99 21.673 -7.935 -16.436 1.00 0.00 O ATOM 163 CB GLU A 99 18.608 -6.556 -16.094 1.00 0.00 C ATOM 164 CG GLU A 99 19.129 -5.777 -14.888 1.00 0.00 C ATOM 165 CD GLU A 99 18.004 -5.527 -13.894 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.549 -6.520 -13.290 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.616 -4.348 -13.755 1.00 0.00 O ATOM 0 H GLU A 99 18.093 -6.714 -18.452 1.00 0.00 H new ATOM 0 HA GLU A 99 20.399 -5.878 -17.068 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.761 -6.031 -16.536 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.247 -7.534 -15.775 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.932 -6.334 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.552 -4.827 -15.215 1.00 0.00 H new ATOM 174 N ASP A 100 19.937 -9.159 -17.195 1.00 0.00 N ATOM 175 CA ASP A 100 20.595 -10.446 -17.018 1.00 0.00 C ATOM 176 C ASP A 100 21.843 -10.536 -17.901 1.00 0.00 C ATOM 177 O ASP A 100 22.909 -10.933 -17.431 1.00 0.00 O ATOM 178 CB ASP A 100 19.607 -11.565 -17.363 1.00 0.00 C ATOM 179 CG ASP A 100 18.935 -12.092 -16.112 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.591 -12.871 -15.389 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.773 -11.705 -15.896 1.00 0.00 O ATOM 0 H ASP A 100 18.991 -9.225 -17.570 1.00 0.00 H new ATOM 0 HA ASP A 100 20.912 -10.552 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.854 -11.191 -18.056 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.131 -12.376 -17.869 1.00 0.00 H new ATOM 186 N GLN A 101 21.710 -10.168 -19.179 1.00 0.00 N ATOM 187 CA GLN A 101 22.824 -10.208 -20.116 1.00 0.00 C ATOM 188 C GLN A 101 23.976 -9.356 -19.583 1.00 0.00 C ATOM 189 O GLN A 101 25.139 -9.755 -19.669 1.00 0.00 O ATOM 190 CB GLN A 101 22.349 -9.706 -21.488 1.00 0.00 C ATOM 191 CG GLN A 101 23.505 -9.724 -22.500 1.00 0.00 C ATOM 192 CD GLN A 101 24.075 -11.131 -22.672 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.560 -11.920 -23.460 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.141 -11.444 -21.935 1.00 0.00 N ATOM 0 H GLN A 101 20.834 -9.838 -19.585 1.00 0.00 H new ATOM 0 HA GLN A 101 23.184 -11.231 -20.227 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.533 -10.333 -21.848 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.956 -8.694 -21.395 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.153 -9.352 -23.462 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.293 -9.049 -22.166 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.536 -10.757 -21.293 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.561 -12.370 -22.013 1.00 0.00 H new ATOM 203 N ARG A 102 23.650 -8.185 -19.030 1.00 0.00 N ATOM 204 CA ARG A 102 24.651 -7.291 -18.481 1.00 0.00 C ATOM 205 C ARG A 102 25.360 -7.963 -17.301 1.00 0.00 C ATOM 206 O ARG A 102 26.575 -7.880 -17.200 1.00 0.00 O ATOM 207 CB ARG A 102 23.990 -5.975 -18.068 1.00 0.00 C ATOM 208 CG ARG A 102 23.629 -5.170 -19.323 1.00 0.00 C ATOM 209 CD ARG A 102 22.566 -4.123 -18.984 1.00 0.00 C ATOM 210 NE ARG A 102 22.037 -3.506 -20.208 1.00 0.00 N ATOM 211 CZ ARG A 102 20.947 -2.720 -20.224 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.327 -2.406 -19.077 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.478 -2.249 -21.388 1.00 0.00 N ATOM 0 H ARG A 102 22.693 -7.840 -18.954 1.00 0.00 H new ATOM 0 HA ARG A 102 25.404 -7.069 -19.237 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.094 -6.174 -17.480 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.665 -5.399 -17.435 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.519 -4.682 -19.720 1.00 0.00 H new ATOM 0 HG3 ARG A 102 23.258 -5.839 -20.100 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.754 -4.589 -18.425 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.996 -3.356 -18.340 1.00 0.00 H new ATOM 0 HE ARG A 102 22.521 -3.683 -21.088 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.683 -2.764 -18.191 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.500 -1.809 -19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.948 -2.487 -22.261 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.651 -1.652 -21.401 1.00 0.00 H new ATOM 227 N VAL A 103 24.612 -8.640 -16.411 1.00 0.00 N ATOM 228 CA VAL A 103 25.226 -9.340 -15.282 1.00 0.00 C ATOM 229 C VAL A 103 26.229 -10.363 -15.809 1.00 0.00 C ATOM 230 O VAL A 103 27.377 -10.379 -15.379 1.00 0.00 O ATOM 231 CB VAL A 103 24.154 -10.033 -14.424 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.817 -11.030 -13.467 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.402 -8.997 -13.601 1.00 0.00 C ATOM 0 H VAL A 103 23.596 -8.714 -16.455 1.00 0.00 H new ATOM 0 HA VAL A 103 25.744 -8.616 -14.652 1.00 0.00 H new ATOM 0 HB VAL A 103 23.463 -10.556 -15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.052 -11.517 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.358 -11.781 -14.042 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.513 -10.501 -12.815 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.644 -9.494 -12.995 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.101 -8.473 -12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.922 -8.281 -14.268 1.00 0.00 H new ATOM 243 N ILE A 104 25.786 -11.218 -16.741 1.00 0.00 N ATOM 244 CA ILE A 104 26.638 -12.249 -17.320 1.00 0.00 C ATOM 245 C ILE A 104 27.929 -11.620 -17.856 1.00 0.00 C ATOM 246 O ILE A 104 29.026 -12.070 -17.522 1.00 0.00 O ATOM 247 CB ILE A 104 25.873 -12.966 -18.450 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.735 -13.814 -17.864 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.837 -13.869 -19.235 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.728 -14.177 -18.960 1.00 0.00 C ATOM 0 H ILE A 104 24.834 -11.210 -17.108 1.00 0.00 H new ATOM 0 HA ILE A 104 26.904 -12.978 -16.555 1.00 0.00 H new ATOM 0 HB ILE A 104 25.449 -12.218 -19.120 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.141 -14.722 -17.418 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.234 -13.263 -17.068 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.293 -14.375 -20.033 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.634 -13.263 -19.666 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.269 -14.611 -18.563 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.926 -14.778 -18.532 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.310 -13.265 -19.387 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.231 -14.746 -19.742 1.00 0.00 H new ATOM 262 N GLU A 105 27.790 -10.584 -18.692 1.00 0.00 N ATOM 263 CA GLU A 105 28.931 -9.917 -19.304 1.00 0.00 C ATOM 264 C GLU A 105 29.865 -9.345 -18.234 1.00 0.00 C ATOM 265 O GLU A 105 31.059 -9.621 -18.250 1.00 0.00 O ATOM 266 CB GLU A 105 28.422 -8.806 -20.230 1.00 0.00 C ATOM 267 CG GLU A 105 29.593 -8.202 -21.013 1.00 0.00 C ATOM 268 CD GLU A 105 29.112 -7.077 -21.919 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.659 -7.404 -23.037 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.207 -5.913 -21.476 1.00 0.00 O ATOM 0 H GLU A 105 26.887 -10.191 -18.958 1.00 0.00 H new ATOM 0 HA GLU A 105 29.502 -10.640 -19.886 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.680 -9.207 -20.920 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.926 -8.031 -19.645 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.343 -7.822 -20.319 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.075 -8.976 -21.610 1.00 0.00 H new ATOM 277 N LEU A 106 29.321 -8.541 -17.316 1.00 0.00 N ATOM 278 CA LEU A 106 30.113 -7.897 -16.274 1.00 0.00 C ATOM 279 C LEU A 106 30.823 -8.937 -15.405 1.00 0.00 C ATOM 280 O LEU A 106 31.968 -8.728 -15.011 1.00 0.00 O ATOM 281 CB LEU A 106 29.204 -7.007 -15.420 1.00 0.00 C ATOM 282 CG LEU A 106 28.686 -5.816 -16.248 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.601 -5.085 -15.453 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.833 -4.848 -16.554 1.00 0.00 C ATOM 0 H LEU A 106 28.326 -8.322 -17.277 1.00 0.00 H new ATOM 0 HA LEU A 106 30.880 -7.280 -16.743 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.363 -7.590 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.753 -6.643 -14.552 1.00 0.00 H new ATOM 0 HG LEU A 106 28.274 -6.184 -17.187 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.231 -4.241 -16.034 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.779 -5.770 -15.244 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.020 -4.723 -14.514 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.455 -4.010 -17.140 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.255 -4.477 -15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.606 -5.367 -17.120 1.00 0.00 H new ATOM 296 N VAL A 107 30.155 -10.056 -15.104 1.00 0.00 N ATOM 297 CA VAL A 107 30.749 -11.110 -14.292 1.00 0.00 C ATOM 298 C VAL A 107 31.904 -11.751 -15.061 1.00 0.00 C ATOM 299 O VAL A 107 32.952 -12.014 -14.489 1.00 0.00 O ATOM 300 CB VAL A 107 29.678 -12.148 -13.915 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.340 -13.464 -13.496 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.849 -11.616 -12.743 1.00 0.00 C ATOM 0 H VAL A 107 29.203 -10.250 -15.413 1.00 0.00 H new ATOM 0 HA VAL A 107 31.144 -10.689 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 107 29.039 -12.326 -14.780 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.571 -14.190 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.936 -13.851 -14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.985 -13.289 -12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.089 -12.349 -12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.501 -11.437 -11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.366 -10.683 -13.033 1.00 0.00 H new ATOM 312 N GLN A 108 31.714 -11.997 -16.358 1.00 0.00 N ATOM 313 CA GLN A 108 32.756 -12.583 -17.186 1.00 0.00 C ATOM 314 C GLN A 108 33.906 -11.582 -17.363 1.00 0.00 C ATOM 315 O GLN A 108 35.064 -11.978 -17.480 1.00 0.00 O ATOM 316 CB GLN A 108 32.151 -12.976 -18.538 1.00 0.00 C ATOM 317 CG GLN A 108 33.186 -13.731 -19.377 1.00 0.00 C ATOM 318 CD GLN A 108 32.545 -14.322 -20.628 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.542 -15.536 -20.814 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.000 -13.459 -21.487 1.00 0.00 N ATOM 0 H GLN A 108 30.845 -11.797 -16.854 1.00 0.00 H new ATOM 0 HA GLN A 108 33.160 -13.475 -16.708 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.271 -13.600 -18.384 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.820 -12.084 -19.070 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.993 -13.055 -19.661 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.632 -14.527 -18.781 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.026 -12.458 -21.291 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.557 -13.800 -22.340 1.00 0.00 H new ATOM 329 N LYS A 109 33.574 -10.285 -17.386 1.00 0.00 N ATOM 330 CA LYS A 109 34.552 -9.224 -17.567 1.00 0.00 C ATOM 331 C LYS A 109 35.427 -9.079 -16.318 1.00 0.00 C ATOM 332 O LYS A 109 36.643 -9.237 -16.394 1.00 0.00 O ATOM 333 CB LYS A 109 33.803 -7.919 -17.869 1.00 0.00 C ATOM 334 CG LYS A 109 34.792 -6.806 -18.224 1.00 0.00 C ATOM 335 CD LYS A 109 34.014 -5.573 -18.699 1.00 0.00 C ATOM 336 CE LYS A 109 34.982 -4.433 -19.028 1.00 0.00 C ATOM 337 NZ LYS A 109 35.543 -3.837 -17.802 1.00 0.00 N ATOM 0 H LYS A 109 32.617 -9.949 -17.279 1.00 0.00 H new ATOM 0 HA LYS A 109 35.213 -9.465 -18.400 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.108 -8.074 -18.694 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.209 -7.624 -17.004 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.401 -6.554 -17.356 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.473 -7.144 -19.005 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.423 -5.824 -19.580 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.315 -5.255 -17.926 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.790 -4.809 -19.655 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.463 -3.666 -19.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.627 -2.808 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.915 -4.040 -16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.483 -4.242 -17.618 1.00 0.00 H new ATOM 351 N TYR A 110 34.805 -8.769 -15.173 1.00 0.00 N ATOM 352 CA TYR A 110 35.529 -8.578 -13.924 1.00 0.00 C ATOM 353 C TYR A 110 35.725 -9.919 -13.221 1.00 0.00 C ATOM 354 O TYR A 110 36.858 -10.367 -13.039 1.00 0.00 O ATOM 355 CB TYR A 110 34.747 -7.610 -13.023 1.00 0.00 C ATOM 356 CG TYR A 110 34.580 -6.224 -13.615 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.711 -5.475 -13.986 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.292 -5.677 -13.783 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.557 -4.189 -14.529 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.141 -4.391 -14.326 1.00 0.00 C ATOM 361 CZ TYR A 110 34.271 -3.648 -14.699 1.00 0.00 C ATOM 362 OH TYR A 110 34.123 -2.403 -15.233 1.00 0.00 O ATOM 0 H TYR A 110 33.796 -8.646 -15.093 1.00 0.00 H new ATOM 0 HA TYR A 110 36.510 -8.154 -14.136 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.762 -8.031 -12.822 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.259 -7.526 -12.064 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.699 -5.889 -13.853 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.421 -6.247 -13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.426 -3.616 -14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.154 -3.973 -14.457 1.00 0.00 H new ATOM 0 HH TYR A 110 33.170 -2.180 -15.283 1.00 0.00 H new ATOM 372 N GLY A 111 34.618 -10.545 -12.817 1.00 0.00 N ATOM 373 CA GLY A 111 34.645 -11.815 -12.112 1.00 0.00 C ATOM 374 C GLY A 111 33.445 -11.894 -11.169 1.00 0.00 C ATOM 375 O GLY A 111 32.703 -10.920 -11.035 1.00 0.00 O ATOM 0 H GLY A 111 33.679 -10.180 -12.973 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.618 -12.640 -12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.573 -11.911 -11.548 1.00 0.00 H new ATOM 379 N PRO A 112 33.255 -13.049 -10.504 1.00 0.00 N ATOM 380 CA PRO A 112 32.185 -13.231 -9.544 1.00 0.00 C ATOM 381 C PRO A 112 32.341 -12.235 -8.392 1.00 0.00 C ATOM 382 O PRO A 112 33.382 -11.587 -8.264 1.00 0.00 O ATOM 383 CB PRO A 112 32.300 -14.680 -9.059 1.00 0.00 C ATOM 384 CG PRO A 112 33.555 -15.271 -9.714 1.00 0.00 C ATOM 385 CD PRO A 112 34.097 -14.209 -10.672 1.00 0.00 C ATOM 0 HA PRO A 112 31.203 -13.049 -9.980 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.377 -14.719 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.414 -15.251 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.300 -15.528 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.315 -16.189 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.136 -13.972 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.070 -14.564 -11.702 1.00 0.00 H new ATOM 393 N LYS A 113 31.300 -12.110 -7.557 1.00 0.00 N ATOM 394 CA LYS A 113 31.301 -11.168 -6.443 1.00 0.00 C ATOM 395 C LYS A 113 31.429 -9.745 -6.998 1.00 0.00 C ATOM 396 O LYS A 113 30.965 -9.473 -8.105 1.00 0.00 O ATOM 397 CB LYS A 113 32.435 -11.499 -5.453 1.00 0.00 C ATOM 398 CG LYS A 113 32.388 -12.984 -5.074 1.00 0.00 C ATOM 399 CD LYS A 113 33.369 -13.248 -3.926 1.00 0.00 C ATOM 400 CE LYS A 113 33.304 -14.721 -3.506 1.00 0.00 C ATOM 401 NZ LYS A 113 33.852 -15.603 -4.554 1.00 0.00 N ATOM 0 H LYS A 113 30.443 -12.657 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 113 30.365 -11.246 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.400 -11.260 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.338 -10.884 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.378 -13.262 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.646 -13.599 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.382 -12.995 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.128 -12.609 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.862 -14.862 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.270 -14.997 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 33.967 -16.564 -4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.200 -15.627 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.776 -15.240 -4.865 1.00 0.00 H new ATOM 415 N ARG A 114 32.057 -8.838 -6.230 1.00 0.00 N ATOM 416 CA ARG A 114 32.247 -7.451 -6.652 1.00 0.00 C ATOM 417 C ARG A 114 30.907 -6.862 -7.094 1.00 0.00 C ATOM 418 O ARG A 114 30.818 -6.201 -8.131 1.00 0.00 O ATOM 419 CB ARG A 114 33.275 -7.393 -7.793 1.00 0.00 C ATOM 420 CG ARG A 114 34.586 -8.063 -7.361 1.00 0.00 C ATOM 421 CD ARG A 114 35.526 -8.164 -8.563 1.00 0.00 C ATOM 422 NE ARG A 114 36.721 -8.952 -8.231 1.00 0.00 N ATOM 423 CZ ARG A 114 37.507 -9.521 -9.162 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.264 -9.314 -10.463 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.534 -10.294 -8.788 1.00 0.00 N ATOM 0 H ARG A 114 32.442 -9.049 -5.309 1.00 0.00 H new ATOM 0 HA ARG A 114 32.626 -6.861 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.877 -7.892 -8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.463 -6.356 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.057 -7.486 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.384 -9.056 -6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.003 -8.625 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.822 -7.165 -8.883 1.00 0.00 H new ATOM 0 HE ARG A 114 36.966 -9.073 -7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.482 -8.724 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.861 -9.746 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.720 -10.451 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.131 -10.726 -9.494 1.00 0.00 H new ATOM 439 N TRP A 115 29.863 -7.115 -6.302 1.00 0.00 N ATOM 440 CA TRP A 115 28.521 -6.668 -6.619 1.00 0.00 C ATOM 441 C TRP A 115 28.409 -5.150 -6.543 1.00 0.00 C ATOM 442 O TRP A 115 27.458 -4.587 -7.064 1.00 0.00 O ATOM 443 CB TRP A 115 27.537 -7.364 -5.684 1.00 0.00 C ATOM 444 CG TRP A 115 27.587 -8.852 -5.804 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.908 -9.713 -4.826 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.358 -9.674 -6.986 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.906 -11.007 -5.292 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.578 -11.042 -6.636 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.997 -9.406 -8.328 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.460 -12.079 -7.567 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.870 -10.450 -9.265 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.109 -11.778 -8.888 1.00 0.00 C ATOM 0 H TRP A 115 29.932 -7.635 -5.427 1.00 0.00 H new ATOM 0 HA TRP A 115 28.279 -6.938 -7.647 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.755 -7.078 -4.655 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.527 -7.019 -5.903 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.137 -9.428 -3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.117 -11.828 -4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.816 -8.387 -8.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.638 -13.102 -7.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.586 -10.225 -10.282 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.022 -12.570 -9.617 1.00 0.00 H new ATOM 463 N SER A 116 29.383 -4.481 -5.915 1.00 0.00 N ATOM 464 CA SER A 116 29.390 -3.030 -5.862 1.00 0.00 C ATOM 465 C SER A 116 29.576 -2.490 -7.280 1.00 0.00 C ATOM 466 O SER A 116 28.809 -1.645 -7.732 1.00 0.00 O ATOM 467 CB SER A 116 30.520 -2.551 -4.944 1.00 0.00 C ATOM 468 OG SER A 116 30.539 -1.137 -4.912 1.00 0.00 O ATOM 0 H SER A 116 30.169 -4.926 -5.441 1.00 0.00 H new ATOM 0 HA SER A 116 28.447 -2.662 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.377 -2.946 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.478 -2.930 -5.301 1.00 0.00 H new ATOM 0 HG SER A 116 31.271 -0.833 -4.336 1.00 0.00 H new ATOM 474 N VAL A 117 30.602 -2.997 -7.977 1.00 0.00 N ATOM 475 CA VAL A 117 30.910 -2.583 -9.338 1.00 0.00 C ATOM 476 C VAL A 117 29.733 -2.901 -10.259 1.00 0.00 C ATOM 477 O VAL A 117 29.265 -2.036 -10.993 1.00 0.00 O ATOM 478 CB VAL A 117 32.186 -3.307 -9.803 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.509 -2.921 -11.248 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.362 -2.913 -8.902 1.00 0.00 C ATOM 0 H VAL A 117 31.237 -3.705 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 117 31.081 -1.507 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 117 32.022 -4.383 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.413 -3.438 -11.569 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.679 -3.206 -11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.665 -1.844 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.263 -3.428 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.518 -1.836 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.142 -3.195 -7.872 1.00 0.00 H new ATOM 490 N ILE A 118 29.258 -4.146 -10.219 1.00 0.00 N ATOM 491 CA ILE A 118 28.155 -4.580 -11.061 1.00 0.00 C ATOM 492 C ILE A 118 26.903 -3.730 -10.782 1.00 0.00 C ATOM 493 O ILE A 118 26.263 -3.252 -11.716 1.00 0.00 O ATOM 494 CB ILE A 118 27.904 -6.077 -10.809 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.062 -6.891 -11.414 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.583 -6.509 -11.454 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.150 -8.264 -10.748 1.00 0.00 C ATOM 0 H ILE A 118 29.627 -4.873 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 118 28.403 -4.441 -12.113 1.00 0.00 H new ATOM 0 HB ILE A 118 27.846 -6.255 -9.735 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.911 -7.009 -12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.001 -6.354 -11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.417 -7.570 -11.268 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.763 -5.933 -11.025 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.628 -6.331 -12.528 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.973 -8.829 -11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.323 -8.139 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.216 -8.804 -10.904 1.00 0.00 H new ATOM 509 N ALA A 119 26.559 -3.541 -9.501 1.00 0.00 N ATOM 510 CA ALA A 119 25.383 -2.761 -9.118 1.00 0.00 C ATOM 511 C ALA A 119 25.501 -1.320 -9.619 1.00 0.00 C ATOM 512 O ALA A 119 24.525 -0.757 -10.111 1.00 0.00 O ATOM 513 CB ALA A 119 25.227 -2.783 -7.598 1.00 0.00 C ATOM 0 H ALA A 119 27.083 -3.921 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 119 24.501 -3.207 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.350 -2.201 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.105 -3.812 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.114 -2.351 -7.135 1.00 0.00 H new ATOM 519 N LYS A 120 26.697 -0.722 -9.493 1.00 0.00 N ATOM 520 CA LYS A 120 26.929 0.650 -9.935 1.00 0.00 C ATOM 521 C LYS A 120 26.522 0.816 -11.399 1.00 0.00 C ATOM 522 O LYS A 120 26.077 1.892 -11.795 1.00 0.00 O ATOM 523 CB LYS A 120 28.411 1.004 -9.761 1.00 0.00 C ATOM 524 CG LYS A 120 28.690 1.412 -8.314 1.00 0.00 C ATOM 525 CD LYS A 120 30.188 1.268 -8.029 1.00 0.00 C ATOM 526 CE LYS A 120 30.518 1.904 -6.679 1.00 0.00 C ATOM 527 NZ LYS A 120 31.680 1.248 -6.051 1.00 0.00 N ATOM 0 H LYS A 120 27.516 -1.174 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 120 26.323 1.323 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.031 0.149 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.679 1.818 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.373 2.441 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.116 0.787 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.468 0.214 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.766 1.747 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.726 2.965 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 120 29.654 1.830 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.923 1.743 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.446 0.257 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.491 1.281 -6.702 1.00 0.00 H new ATOM 541 N HIS A 121 26.684 -0.242 -12.200 1.00 0.00 N ATOM 542 CA HIS A 121 26.363 -0.198 -13.619 1.00 0.00 C ATOM 543 C HIS A 121 24.897 -0.579 -13.842 1.00 0.00 C ATOM 544 O HIS A 121 24.243 -0.035 -14.731 1.00 0.00 O ATOM 545 CB HIS A 121 27.295 -1.154 -14.376 1.00 0.00 C ATOM 546 CG HIS A 121 28.745 -1.019 -13.964 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.254 0.110 -13.326 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.817 -1.866 -14.081 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.563 -0.126 -13.101 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.970 -1.316 -13.542 1.00 0.00 N ATOM 0 H HIS A 121 27.039 -1.143 -11.881 1.00 0.00 H new ATOM 0 HA HIS A 121 26.509 0.814 -13.996 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.969 -2.180 -14.206 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.208 -0.965 -15.446 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.736 0.953 -13.077 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.769 -2.843 -14.538 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.217 0.580 -12.611 1.00 0.00 H new ATOM 558 N LEU A 122 24.385 -1.514 -13.031 1.00 0.00 N ATOM 559 CA LEU A 122 23.011 -1.980 -13.146 1.00 0.00 C ATOM 560 C LEU A 122 22.101 -1.095 -12.314 1.00 0.00 C ATOM 561 O LEU A 122 21.677 -1.474 -11.222 1.00 0.00 O ATOM 562 CB LEU A 122 22.912 -3.438 -12.680 1.00 0.00 C ATOM 563 CG LEU A 122 23.693 -4.358 -13.624 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.537 -5.802 -13.164 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.160 -4.229 -15.052 1.00 0.00 C ATOM 0 H LEU A 122 24.914 -1.962 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 122 22.698 -1.927 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.304 -3.529 -11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.867 -3.745 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 122 24.744 -4.070 -13.607 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.092 -6.459 -13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.925 -5.905 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.482 -6.076 -13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.724 -4.888 -15.712 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.107 -4.508 -15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.269 -3.198 -15.389 1.00 0.00 H new ATOM 577 N LYS A 123 21.796 0.088 -12.838 1.00 0.00 N ATOM 578 CA LYS A 123 20.927 1.023 -12.159 1.00 0.00 C ATOM 579 C LYS A 123 19.556 0.381 -11.974 1.00 0.00 C ATOM 580 O LYS A 123 18.924 -0.027 -12.947 1.00 0.00 O ATOM 581 CB LYS A 123 20.826 2.312 -12.974 1.00 0.00 C ATOM 582 CG LYS A 123 22.226 2.874 -13.254 1.00 0.00 C ATOM 583 CD LYS A 123 22.956 3.172 -11.941 1.00 0.00 C ATOM 584 CE LYS A 123 24.076 4.184 -12.202 1.00 0.00 C ATOM 585 NZ LYS A 123 24.989 4.273 -11.051 1.00 0.00 N ATOM 0 H LYS A 123 22.145 0.417 -13.738 1.00 0.00 H new ATOM 0 HA LYS A 123 21.332 1.272 -11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.310 2.117 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.233 3.048 -12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 123 22.801 2.159 -13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 123 22.147 3.785 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.257 3.568 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.370 2.253 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.634 3.892 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.645 5.164 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.576 5.127 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.436 4.323 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.601 3.433 -11.028 1.00 0.00 H new ATOM 599 N GLY A 124 19.111 0.286 -10.719 1.00 0.00 N ATOM 600 CA GLY A 124 17.838 -0.339 -10.381 1.00 0.00 C ATOM 601 C GLY A 124 18.069 -1.616 -9.567 1.00 0.00 C ATOM 602 O GLY A 124 17.146 -2.105 -8.914 1.00 0.00 O ATOM 0 H GLY A 124 19.625 0.641 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.224 0.358 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.289 -0.575 -11.292 1.00 0.00 H new ATOM 606 N ARG A 125 19.302 -2.153 -9.607 1.00 0.00 N ATOM 607 CA ARG A 125 19.661 -3.354 -8.863 1.00 0.00 C ATOM 608 C ARG A 125 20.849 -3.040 -7.958 1.00 0.00 C ATOM 609 O ARG A 125 21.950 -2.792 -8.446 1.00 0.00 O ATOM 610 CB ARG A 125 20.025 -4.484 -9.839 1.00 0.00 C ATOM 611 CG ARG A 125 18.852 -4.795 -10.778 1.00 0.00 C ATOM 612 CD ARG A 125 17.691 -5.421 -9.996 1.00 0.00 C ATOM 613 NE ARG A 125 16.479 -4.594 -10.097 1.00 0.00 N ATOM 614 CZ ARG A 125 15.410 -4.922 -10.852 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.474 -5.931 -11.732 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.272 -4.229 -10.720 1.00 0.00 N ATOM 0 H ARG A 125 20.068 -1.762 -10.156 1.00 0.00 H new ATOM 0 HA ARG A 125 18.816 -3.678 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.899 -4.197 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.296 -5.380 -9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.518 -3.880 -11.267 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.178 -5.476 -11.564 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.486 -6.420 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.972 -5.533 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 125 16.445 -3.724 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.339 -6.462 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.658 -6.168 -12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.218 -3.460 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.459 -4.470 -11.287 1.00 0.00 H new ATOM 630 N ILE A 126 20.630 -3.050 -6.638 1.00 0.00 N ATOM 631 CA ILE A 126 21.694 -2.759 -5.682 1.00 0.00 C ATOM 632 C ILE A 126 22.580 -3.996 -5.504 1.00 0.00 C ATOM 633 O ILE A 126 22.362 -5.019 -6.158 1.00 0.00 O ATOM 634 CB ILE A 126 21.088 -2.303 -4.342 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.097 -3.353 -3.820 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.367 -0.963 -4.537 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.908 -3.188 -2.311 1.00 0.00 C ATOM 0 H ILE A 126 19.726 -3.256 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 126 22.315 -1.947 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 126 21.889 -2.185 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.139 -3.246 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.465 -4.355 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.938 -0.639 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.078 -0.215 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.572 -1.081 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.204 -3.937 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.866 -3.318 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.519 -2.192 -2.100 1.00 0.00 H new ATOM 649 N GLY A 127 23.582 -3.898 -4.615 1.00 0.00 N ATOM 650 CA GLY A 127 24.504 -4.996 -4.352 1.00 0.00 C ATOM 651 C GLY A 127 23.828 -6.067 -3.497 1.00 0.00 C ATOM 652 O GLY A 127 24.234 -6.307 -2.362 1.00 0.00 O ATOM 0 H GLY A 127 23.768 -3.059 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.839 -5.431 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.391 -4.620 -3.841 1.00 0.00 H new ATOM 656 N LYS A 128 22.798 -6.707 -4.055 1.00 0.00 N ATOM 657 CA LYS A 128 22.053 -7.750 -3.375 1.00 0.00 C ATOM 658 C LYS A 128 21.227 -8.508 -4.408 1.00 0.00 C ATOM 659 O LYS A 128 21.339 -9.723 -4.526 1.00 0.00 O ATOM 660 CB LYS A 128 21.155 -7.124 -2.300 1.00 0.00 C ATOM 661 CG LYS A 128 20.268 -8.203 -1.678 1.00 0.00 C ATOM 662 CD LYS A 128 19.617 -7.663 -0.403 1.00 0.00 C ATOM 663 CE LYS A 128 18.554 -8.647 0.094 1.00 0.00 C ATOM 664 NZ LYS A 128 19.106 -10.008 0.232 1.00 0.00 N ATOM 0 H LYS A 128 22.461 -6.509 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 128 22.732 -8.446 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.767 -6.654 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.538 -6.340 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.500 -8.510 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.862 -9.088 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.374 -7.512 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.163 -6.692 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.165 -8.311 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.715 -8.661 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.530 -10.549 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.092 -10.484 -0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.085 -9.952 0.578 1.00 0.00 H new ATOM 678 N GLN A 129 20.402 -7.776 -5.164 1.00 0.00 N ATOM 679 CA GLN A 129 19.579 -8.365 -6.208 1.00 0.00 C ATOM 680 C GLN A 129 20.474 -9.074 -7.220 1.00 0.00 C ATOM 681 O GLN A 129 20.159 -10.175 -7.665 1.00 0.00 O ATOM 682 CB GLN A 129 18.759 -7.263 -6.890 1.00 0.00 C ATOM 683 CG GLN A 129 17.417 -7.081 -6.175 1.00 0.00 C ATOM 684 CD GLN A 129 17.598 -6.878 -4.673 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.293 -7.767 -3.881 1.00 0.00 O ATOM 686 NE2 GLN A 129 18.094 -5.706 -4.283 1.00 0.00 N ATOM 0 H GLN A 129 20.291 -6.767 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 129 18.894 -9.095 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.315 -6.326 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.590 -7.520 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.894 -6.223 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 129 16.790 -7.955 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.333 -4.997 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 129 18.235 -5.517 -3.291 1.00 0.00 H new ATOM 695 N CYS A 130 21.596 -8.436 -7.577 1.00 0.00 N ATOM 696 CA CYS A 130 22.550 -9.006 -8.518 1.00 0.00 C ATOM 697 C CYS A 130 23.093 -10.322 -7.965 1.00 0.00 C ATOM 698 O CYS A 130 23.224 -11.300 -8.700 1.00 0.00 O ATOM 699 CB CYS A 130 23.688 -8.009 -8.754 1.00 0.00 C ATOM 700 SG CYS A 130 23.006 -6.491 -9.467 1.00 0.00 S ATOM 0 H CYS A 130 21.861 -7.517 -7.221 1.00 0.00 H new ATOM 0 HA CYS A 130 22.056 -9.207 -9.469 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.196 -7.788 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.432 -8.439 -9.425 1.00 0.00 H new ATOM 0 HG CYS A 130 23.965 -5.637 -9.669 1.00 0.00 H new ATOM 706 N ARG A 131 23.404 -10.343 -6.662 1.00 0.00 N ATOM 707 CA ARG A 131 23.919 -11.532 -6.007 1.00 0.00 C ATOM 708 C ARG A 131 22.885 -12.652 -6.101 1.00 0.00 C ATOM 709 O ARG A 131 23.186 -13.725 -6.614 1.00 0.00 O ATOM 710 CB ARG A 131 24.256 -11.195 -4.545 1.00 0.00 C ATOM 711 CG ARG A 131 25.091 -12.316 -3.906 1.00 0.00 C ATOM 712 CD ARG A 131 24.205 -13.521 -3.558 1.00 0.00 C ATOM 713 NE ARG A 131 24.633 -14.144 -2.298 1.00 0.00 N ATOM 714 CZ ARG A 131 24.207 -13.741 -1.083 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.229 -12.828 -0.964 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.767 -14.258 0.019 1.00 0.00 N ATOM 0 H ARG A 131 23.303 -9.538 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 131 24.830 -11.874 -6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.806 -10.255 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.336 -11.052 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.880 -12.624 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.579 -11.945 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.166 -13.201 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.249 -14.254 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 131 25.288 -14.924 -2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.798 -12.430 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.917 -12.533 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.510 -14.952 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.450 -13.958 0.941 1.00 0.00 H new ATOM 730 N GLU A 132 21.666 -12.399 -5.608 1.00 0.00 N ATOM 731 CA GLU A 132 20.597 -13.388 -5.637 1.00 0.00 C ATOM 732 C GLU A 132 20.405 -13.917 -7.061 1.00 0.00 C ATOM 733 O GLU A 132 20.358 -15.126 -7.267 1.00 0.00 O ATOM 734 CB GLU A 132 19.294 -12.761 -5.111 1.00 0.00 C ATOM 735 CG GLU A 132 19.138 -13.027 -3.604 1.00 0.00 C ATOM 736 CD GLU A 132 19.940 -12.034 -2.767 1.00 0.00 C ATOM 737 OE1 GLU A 132 21.165 -12.247 -2.642 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.311 -11.081 -2.259 1.00 0.00 O ATOM 0 H GLU A 132 21.401 -11.510 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 132 20.867 -14.226 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.299 -11.687 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.441 -13.175 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.085 -12.965 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.467 -14.041 -3.378 1.00 0.00 H new ATOM 745 N ARG A 133 20.298 -13.018 -8.046 1.00 0.00 N ATOM 746 CA ARG A 133 20.115 -13.420 -9.436 1.00 0.00 C ATOM 747 C ARG A 133 21.211 -14.407 -9.844 1.00 0.00 C ATOM 748 O ARG A 133 20.942 -15.370 -10.566 1.00 0.00 O ATOM 749 CB ARG A 133 20.146 -12.173 -10.339 1.00 0.00 C ATOM 750 CG ARG A 133 19.715 -12.525 -11.775 1.00 0.00 C ATOM 751 CD ARG A 133 18.215 -12.838 -11.825 1.00 0.00 C ATOM 752 NE ARG A 133 17.751 -12.974 -13.216 1.00 0.00 N ATOM 753 CZ ARG A 133 16.572 -13.535 -13.554 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.851 -14.186 -12.640 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.119 -13.441 -14.806 1.00 0.00 N ATOM 0 H ARG A 133 20.336 -12.009 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 133 19.150 -13.913 -9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.484 -11.408 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.151 -11.751 -10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.941 -11.694 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.284 -13.384 -12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.014 -13.760 -11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.657 -12.044 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 133 18.352 -12.626 -13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.191 -14.261 -11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.960 -14.609 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.665 -12.944 -15.510 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.227 -13.866 -15.059 1.00 0.00 H new ATOM 769 N TRP A 134 22.446 -14.161 -9.383 1.00 0.00 N ATOM 770 CA TRP A 134 23.585 -14.990 -9.739 1.00 0.00 C ATOM 771 C TRP A 134 23.814 -16.132 -8.737 1.00 0.00 C ATOM 772 O TRP A 134 24.874 -16.756 -8.761 1.00 0.00 O ATOM 773 CB TRP A 134 24.830 -14.110 -9.828 1.00 0.00 C ATOM 774 CG TRP A 134 25.887 -14.681 -10.705 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.031 -15.257 -10.298 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.895 -14.780 -12.152 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.750 -15.722 -11.370 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.085 -15.456 -12.554 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.012 -14.374 -13.176 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.370 -15.730 -13.890 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.296 -14.645 -14.519 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.465 -15.331 -14.879 1.00 0.00 C ATOM 0 H TRP A 134 22.673 -13.387 -8.759 1.00 0.00 H new ATOM 0 HA TRP A 134 23.378 -15.454 -10.703 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.547 -13.127 -10.204 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.236 -13.964 -8.827 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.342 -15.342 -9.267 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.650 -16.198 -11.303 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.105 -13.847 -12.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.280 -16.245 -14.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.608 -14.323 -15.286 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.666 -15.551 -15.917 1.00 0.00 H new ATOM 793 N HIS A 135 22.840 -16.416 -7.863 1.00 0.00 N ATOM 794 CA HIS A 135 22.978 -17.496 -6.888 1.00 0.00 C ATOM 795 C HIS A 135 21.643 -18.226 -6.707 1.00 0.00 C ATOM 796 O HIS A 135 21.379 -18.794 -5.649 1.00 0.00 O ATOM 797 CB HIS A 135 23.501 -16.925 -5.564 1.00 0.00 C ATOM 798 CG HIS A 135 24.995 -16.709 -5.589 1.00 0.00 C ATOM 799 ND1 HIS A 135 25.896 -17.658 -5.118 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.780 -15.671 -6.031 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.131 -17.145 -5.296 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.130 -15.933 -5.850 1.00 0.00 N ATOM 0 H HIS A 135 21.954 -15.914 -7.814 1.00 0.00 H new ATOM 0 HA HIS A 135 23.699 -18.229 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.002 -15.979 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.247 -17.605 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.393 -14.762 -6.466 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.034 -17.667 -5.016 1.00 0.00 H new ATOM 0 HE2 HIS A 135 27.928 -15.342 -6.084 1.00 0.00 H new ATOM 810 N ASN A 136 20.814 -18.221 -7.757 1.00 0.00 N ATOM 811 CA ASN A 136 19.540 -18.932 -7.763 1.00 0.00 C ATOM 812 C ASN A 136 19.443 -19.718 -9.050 1.00 0.00 C ATOM 813 O ASN A 136 19.437 -20.946 -9.041 1.00 0.00 O ATOM 814 CB ASN A 136 18.374 -17.942 -7.674 1.00 0.00 C ATOM 815 CG ASN A 136 18.088 -17.562 -6.235 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.077 -17.968 -5.670 1.00 0.00 O ATOM 817 ND2 ASN A 136 18.976 -16.782 -5.646 1.00 0.00 N ATOM 0 H ASN A 136 21.012 -17.722 -8.625 1.00 0.00 H new ATOM 0 HA ASN A 136 19.488 -19.600 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.609 -17.047 -8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.483 -18.384 -8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.837 -16.491 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.801 -16.471 -6.159 1.00 0.00 H new ATOM 824 N HIS A 137 19.368 -18.985 -10.159 1.00 0.00 N ATOM 825 CA HIS A 137 19.267 -19.580 -11.488 1.00 0.00 C ATOM 826 C HIS A 137 20.615 -19.476 -12.207 1.00 0.00 C ATOM 827 O HIS A 137 21.188 -20.494 -12.589 1.00 0.00 O ATOM 828 CB HIS A 137 18.146 -18.898 -12.296 1.00 0.00 C ATOM 829 CG HIS A 137 17.388 -17.856 -11.510 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.217 -18.144 -10.818 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.611 -16.522 -11.286 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.817 -16.996 -10.235 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.625 -15.962 -10.482 1.00 0.00 N ATOM 0 H HIS A 137 19.376 -17.965 -10.161 1.00 0.00 H new ATOM 0 HA HIS A 137 19.012 -20.635 -11.392 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.579 -18.431 -13.181 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.447 -19.658 -12.646 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.750 -19.049 -10.762 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.451 -15.973 -11.686 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.928 -16.920 -9.626 1.00 0.00 H new ATOM 841 N LEU A 138 21.124 -18.248 -12.392 1.00 0.00 N ATOM 842 CA LEU A 138 22.403 -18.039 -13.062 1.00 0.00 C ATOM 843 C LEU A 138 23.541 -18.248 -12.065 1.00 0.00 C ATOM 844 O LEU A 138 23.332 -18.146 -10.857 1.00 0.00 O ATOM 845 CB LEU A 138 22.468 -16.624 -13.653 1.00 0.00 C ATOM 846 CG LEU A 138 21.574 -16.513 -14.899 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.182 -16.017 -14.504 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.190 -15.523 -15.886 1.00 0.00 C ATOM 0 H LEU A 138 20.665 -17.390 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 138 22.503 -18.757 -13.876 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.150 -15.897 -12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.498 -16.381 -13.915 1.00 0.00 H new ATOM 0 HG LEU A 138 21.492 -17.497 -15.361 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.557 -15.942 -15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.731 -16.719 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.265 -15.037 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.555 -15.446 -16.768 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.276 -14.544 -15.414 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.180 -15.871 -16.181 1.00 0.00 H new