USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 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 128 LYS NZ :NH3+ -150:sc= 1.23! (180deg=-1.1) USER MOD Set 1.2: A 129 GLN : amide:sc= 0.676 K(o=1.9,f=-6.9!) USER MOD Set 2.1: A 110 TYR OH : rot -113:sc= 0.565 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 0.0317 K(o=0.6,f=-1.7) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.631 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.31) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc=-0.00708 (180deg=-0.202) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -105:sc= -0.147 (180deg=-1.32) USER MOD Single : A 123 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.804) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.079 USER MOD Single : A 135 HIS : no HD1:sc=-0.00784 X(o=-0.0078,f=-0.18) USER MOD Single : A 136 ASN : amide:sc= 0.814 K(o=0.81,f=-0.038) USER MOD Single : A 137 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.067 -9.025 -13.085 1.00 0.00 N ATOM 85 CA TRP A 95 14.214 -9.028 -13.986 1.00 0.00 C ATOM 86 C TRP A 95 13.790 -9.248 -15.442 1.00 0.00 C ATOM 87 O TRP A 95 12.641 -9.586 -15.726 1.00 0.00 O ATOM 88 CB TRP A 95 15.229 -10.081 -13.530 1.00 0.00 C ATOM 89 CG TRP A 95 16.114 -9.624 -12.419 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.759 -9.499 -11.129 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.507 -9.211 -12.479 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.811 -9.040 -10.373 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.928 -8.838 -11.163 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.464 -9.112 -13.509 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.220 -8.385 -10.894 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.767 -8.655 -13.243 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.143 -8.288 -11.937 1.00 0.00 C ATOM 0 HA TRP A 95 14.688 -8.047 -13.945 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.693 -10.974 -13.210 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.848 -10.368 -14.380 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.779 -9.728 -10.739 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.773 -8.872 -9.368 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.193 -9.391 -14.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.503 -8.112 -9.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.485 -8.585 -14.047 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.144 -7.932 -11.742 1.00 0.00 H new ATOM 108 N THR A 96 14.739 -9.038 -16.365 1.00 0.00 N ATOM 109 CA THR A 96 14.498 -9.195 -17.791 1.00 0.00 C ATOM 110 C THR A 96 15.692 -9.901 -18.427 1.00 0.00 C ATOM 111 O THR A 96 16.772 -9.946 -17.839 1.00 0.00 O ATOM 112 CB THR A 96 14.280 -7.815 -18.443 1.00 0.00 C ATOM 113 OG1 THR A 96 15.526 -7.183 -18.654 1.00 0.00 O ATOM 114 CG2 THR A 96 13.413 -6.928 -17.544 1.00 0.00 C ATOM 0 H THR A 96 15.692 -8.755 -16.136 1.00 0.00 H new ATOM 0 HA THR A 96 13.602 -9.795 -17.947 1.00 0.00 H new ATOM 0 HB THR A 96 13.773 -7.960 -19.397 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.382 -6.307 -19.070 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.269 -5.958 -18.020 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.444 -7.403 -17.389 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.908 -6.791 -16.582 1.00 0.00 H new ATOM 122 N LYS A 97 15.499 -10.446 -19.633 1.00 0.00 N ATOM 123 CA LYS A 97 16.565 -11.132 -20.349 1.00 0.00 C ATOM 124 C LYS A 97 17.735 -10.172 -20.580 1.00 0.00 C ATOM 125 O LYS A 97 18.893 -10.570 -20.484 1.00 0.00 O ATOM 126 CB LYS A 97 16.018 -11.660 -21.680 1.00 0.00 C ATOM 127 CG LYS A 97 17.071 -12.538 -22.365 1.00 0.00 C ATOM 128 CD LYS A 97 16.471 -13.167 -23.626 1.00 0.00 C ATOM 129 CE LYS A 97 17.519 -14.049 -24.310 1.00 0.00 C ATOM 130 NZ LYS A 97 16.964 -14.693 -25.515 1.00 0.00 N ATOM 0 H LYS A 97 14.609 -10.422 -20.130 1.00 0.00 H new ATOM 0 HA LYS A 97 16.928 -11.974 -19.760 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.109 -12.236 -21.507 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.749 -10.827 -22.329 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.945 -11.940 -22.625 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.409 -13.318 -21.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.595 -13.761 -23.366 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.136 -12.387 -24.309 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.385 -13.446 -24.582 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.868 -14.812 -23.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.694 -15.285 -25.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.152 -15.286 -25.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.654 -13.963 -26.187 1.00 0.00 H new ATOM 144 N GLU A 98 17.423 -8.905 -20.881 1.00 0.00 N ATOM 145 CA GLU A 98 18.437 -7.892 -21.118 1.00 0.00 C ATOM 146 C GLU A 98 19.201 -7.618 -19.825 1.00 0.00 C ATOM 147 O GLU A 98 20.430 -7.622 -19.816 1.00 0.00 O ATOM 148 CB GLU A 98 17.768 -6.611 -21.629 1.00 0.00 C ATOM 149 CG GLU A 98 18.837 -5.618 -22.097 1.00 0.00 C ATOM 150 CD GLU A 98 18.265 -4.211 -22.193 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.340 -4.029 -23.010 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.768 -3.343 -21.444 1.00 0.00 O ATOM 0 H GLU A 98 16.465 -8.564 -20.965 1.00 0.00 H new ATOM 0 HA GLU A 98 19.142 -8.245 -21.870 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.092 -6.846 -22.451 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.165 -6.164 -20.838 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.677 -5.627 -21.402 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.224 -5.925 -23.069 1.00 0.00 H new ATOM 159 N GLU A 99 18.469 -7.377 -18.731 1.00 0.00 N ATOM 160 CA GLU A 99 19.082 -7.090 -17.446 1.00 0.00 C ATOM 161 C GLU A 99 20.010 -8.243 -17.050 1.00 0.00 C ATOM 162 O GLU A 99 21.128 -8.012 -16.591 1.00 0.00 O ATOM 163 CB GLU A 99 17.985 -6.862 -16.400 1.00 0.00 C ATOM 164 CG GLU A 99 18.542 -6.012 -15.258 1.00 0.00 C ATOM 165 CD GLU A 99 17.477 -5.720 -14.208 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.542 -6.540 -14.082 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.615 -4.676 -13.541 1.00 0.00 O ATOM 0 H GLU A 99 17.449 -7.377 -18.719 1.00 0.00 H new ATOM 0 HA GLU A 99 19.684 -6.183 -17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.130 -6.363 -16.856 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.629 -7.818 -16.016 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.380 -6.530 -14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.928 -5.074 -15.656 1.00 0.00 H new ATOM 174 N ASP A 100 19.549 -9.483 -17.245 1.00 0.00 N ATOM 175 CA ASP A 100 20.353 -10.660 -16.953 1.00 0.00 C ATOM 176 C ASP A 100 21.603 -10.654 -17.837 1.00 0.00 C ATOM 177 O ASP A 100 22.707 -10.886 -17.350 1.00 0.00 O ATOM 178 CB ASP A 100 19.519 -11.925 -17.197 1.00 0.00 C ATOM 179 CG ASP A 100 18.783 -12.351 -15.939 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.471 -12.765 -14.983 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.540 -12.258 -15.953 1.00 0.00 O ATOM 0 H ASP A 100 18.618 -9.691 -17.606 1.00 0.00 H new ATOM 0 HA ASP A 100 20.665 -10.647 -15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.801 -11.741 -17.996 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.169 -12.733 -17.532 1.00 0.00 H new ATOM 186 N GLN A 101 21.425 -10.383 -19.138 1.00 0.00 N ATOM 187 CA GLN A 101 22.533 -10.339 -20.084 1.00 0.00 C ATOM 188 C GLN A 101 23.597 -9.345 -19.614 1.00 0.00 C ATOM 189 O GLN A 101 24.791 -9.623 -19.721 1.00 0.00 O ATOM 190 CB GLN A 101 22.005 -9.960 -21.476 1.00 0.00 C ATOM 191 CG GLN A 101 23.085 -10.210 -22.536 1.00 0.00 C ATOM 192 CD GLN A 101 23.421 -11.695 -22.643 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.522 -12.111 -22.295 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.468 -12.493 -23.123 1.00 0.00 N ATOM 0 H GLN A 101 20.514 -10.191 -19.555 1.00 0.00 H new ATOM 0 HA GLN A 101 22.997 -11.324 -20.141 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.115 -10.545 -21.708 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.709 -8.911 -21.488 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.741 -9.842 -23.503 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.984 -9.648 -22.282 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.567 -12.102 -23.400 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.639 -13.494 -23.214 1.00 0.00 H new ATOM 203 N ARG A 102 23.172 -8.187 -19.092 1.00 0.00 N ATOM 204 CA ARG A 102 24.106 -7.184 -18.610 1.00 0.00 C ATOM 205 C ARG A 102 24.951 -7.774 -17.479 1.00 0.00 C ATOM 206 O ARG A 102 26.168 -7.617 -17.475 1.00 0.00 O ATOM 207 CB ARG A 102 23.342 -5.943 -18.140 1.00 0.00 C ATOM 208 CG ARG A 102 22.776 -5.192 -19.351 1.00 0.00 C ATOM 209 CD ARG A 102 21.872 -4.051 -18.874 1.00 0.00 C ATOM 210 NE ARG A 102 21.178 -3.415 -20.005 1.00 0.00 N ATOM 211 CZ ARG A 102 21.745 -2.490 -20.800 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.024 -2.131 -20.624 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.022 -1.929 -21.774 1.00 0.00 N ATOM 0 H ARG A 102 22.189 -7.930 -18.997 1.00 0.00 H new ATOM 0 HA ARG A 102 24.773 -6.884 -19.418 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.533 -6.235 -17.471 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.005 -5.290 -17.573 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.590 -4.795 -19.958 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.211 -5.876 -19.984 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.140 -4.436 -18.164 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.468 -3.308 -18.345 1.00 0.00 H new ATOM 0 HE ARG A 102 20.215 -3.691 -20.196 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.577 -2.560 -19.882 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.445 -1.429 -21.232 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.049 -2.203 -21.909 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.443 -1.227 -22.382 1.00 0.00 H new ATOM 227 N VAL A 103 24.308 -8.461 -16.522 1.00 0.00 N ATOM 228 CA VAL A 103 25.020 -9.073 -15.404 1.00 0.00 C ATOM 229 C VAL A 103 26.002 -10.126 -15.922 1.00 0.00 C ATOM 230 O VAL A 103 27.134 -10.189 -15.452 1.00 0.00 O ATOM 231 CB VAL A 103 24.019 -9.691 -14.419 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.764 -10.521 -13.367 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.246 -8.578 -13.716 1.00 0.00 C ATOM 0 H VAL A 103 23.298 -8.603 -16.505 1.00 0.00 H new ATOM 0 HA VAL A 103 25.588 -8.307 -14.877 1.00 0.00 H new ATOM 0 HB VAL A 103 23.331 -10.334 -14.968 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.046 -10.956 -12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.321 -11.318 -13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.455 -9.880 -12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.534 -9.015 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.942 -7.938 -13.174 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.709 -7.985 -14.456 1.00 0.00 H new ATOM 243 N ILE A 104 25.572 -10.948 -16.891 1.00 0.00 N ATOM 244 CA ILE A 104 26.434 -11.976 -17.468 1.00 0.00 C ATOM 245 C ILE A 104 27.717 -11.323 -17.990 1.00 0.00 C ATOM 246 O ILE A 104 28.818 -11.749 -17.643 1.00 0.00 O ATOM 247 CB ILE A 104 25.685 -12.712 -18.599 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.603 -13.623 -18.000 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.674 -13.558 -19.416 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.682 -14.153 -19.103 1.00 0.00 C ATOM 0 H ILE A 104 24.633 -10.917 -17.287 1.00 0.00 H new ATOM 0 HA ILE A 104 26.701 -12.709 -16.707 1.00 0.00 H new ATOM 0 HB ILE A 104 25.216 -11.976 -19.252 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.070 -14.457 -17.475 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.019 -13.070 -17.264 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.139 -14.075 -20.213 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.435 -12.910 -19.851 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.151 -14.290 -18.765 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.921 -14.797 -18.663 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.201 -13.316 -19.609 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.268 -14.724 -19.823 1.00 0.00 H new ATOM 262 N GLU A 105 27.566 -10.287 -18.823 1.00 0.00 N ATOM 263 CA GLU A 105 28.699 -9.580 -19.403 1.00 0.00 C ATOM 264 C GLU A 105 29.585 -8.989 -18.301 1.00 0.00 C ATOM 265 O GLU A 105 30.806 -9.129 -18.344 1.00 0.00 O ATOM 266 CB GLU A 105 28.167 -8.476 -20.332 1.00 0.00 C ATOM 267 CG GLU A 105 29.328 -7.722 -21.003 1.00 0.00 C ATOM 268 CD GLU A 105 30.154 -8.639 -21.901 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.553 -9.567 -22.480 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.377 -8.387 -21.994 1.00 0.00 O ATOM 0 H GLU A 105 26.658 -9.921 -19.109 1.00 0.00 H new ATOM 0 HA GLU A 105 29.312 -10.273 -19.979 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.523 -8.915 -21.094 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.555 -7.777 -19.761 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.932 -6.895 -21.593 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.971 -7.288 -20.237 1.00 0.00 H new ATOM 277 N LEU A 106 28.970 -8.322 -17.318 1.00 0.00 N ATOM 278 CA LEU A 106 29.710 -7.684 -16.237 1.00 0.00 C ATOM 279 C LEU A 106 30.539 -8.715 -15.462 1.00 0.00 C ATOM 280 O LEU A 106 31.727 -8.498 -15.241 1.00 0.00 O ATOM 281 CB LEU A 106 28.733 -6.946 -15.311 1.00 0.00 C ATOM 282 CG LEU A 106 28.168 -5.700 -16.023 1.00 0.00 C ATOM 283 CD1 LEU A 106 26.896 -5.232 -15.313 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.197 -4.568 -15.996 1.00 0.00 C ATOM 0 H LEU A 106 27.958 -8.213 -17.254 1.00 0.00 H new ATOM 0 HA LEU A 106 30.405 -6.959 -16.660 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.919 -7.611 -15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.242 -6.651 -14.393 1.00 0.00 H new ATOM 0 HG LEU A 106 27.941 -5.961 -17.057 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.500 -4.352 -15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.153 -6.029 -15.336 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.128 -4.982 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.788 -3.693 -16.501 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.431 -4.314 -14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.105 -4.890 -16.505 1.00 0.00 H new ATOM 296 N VAL A 107 29.927 -9.834 -15.049 1.00 0.00 N ATOM 297 CA VAL A 107 30.640 -10.868 -14.303 1.00 0.00 C ATOM 298 C VAL A 107 31.736 -11.486 -15.175 1.00 0.00 C ATOM 299 O VAL A 107 32.760 -11.911 -14.660 1.00 0.00 O ATOM 300 CB VAL A 107 29.649 -11.935 -13.807 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.395 -13.224 -13.441 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.931 -11.415 -12.561 1.00 0.00 C ATOM 0 H VAL A 107 28.943 -10.041 -15.221 1.00 0.00 H new ATOM 0 HA VAL A 107 31.119 -10.420 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 107 28.932 -12.145 -14.600 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.682 -13.970 -13.092 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.917 -13.604 -14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.117 -13.015 -12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.227 -12.168 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.662 -11.205 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.391 -10.501 -12.807 1.00 0.00 H new ATOM 312 N GLN A 108 31.533 -11.532 -16.493 1.00 0.00 N ATOM 313 CA GLN A 108 32.532 -12.087 -17.395 1.00 0.00 C ATOM 314 C GLN A 108 33.753 -11.163 -17.429 1.00 0.00 C ATOM 315 O GLN A 108 34.862 -11.602 -17.727 1.00 0.00 O ATOM 316 CB GLN A 108 31.922 -12.245 -18.794 1.00 0.00 C ATOM 317 CG GLN A 108 32.840 -13.099 -19.676 1.00 0.00 C ATOM 318 CD GLN A 108 32.267 -13.242 -21.082 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.882 -12.808 -22.051 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.087 -13.852 -21.192 1.00 0.00 N ATOM 0 H GLN A 108 30.689 -11.192 -16.954 1.00 0.00 H new ATOM 0 HA GLN A 108 32.851 -13.069 -17.045 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.939 -12.711 -18.720 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.777 -11.265 -19.249 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.829 -12.643 -19.727 1.00 0.00 H new ATOM 0 HG3 GLN A 108 32.966 -14.085 -19.229 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.612 -14.197 -20.358 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.659 -13.974 -22.110 1.00 0.00 H new ATOM 329 N LYS A 109 33.534 -9.878 -17.125 1.00 0.00 N ATOM 330 CA LYS A 109 34.581 -8.874 -17.151 1.00 0.00 C ATOM 331 C LYS A 109 35.275 -8.769 -15.787 1.00 0.00 C ATOM 332 O LYS A 109 36.479 -8.992 -15.685 1.00 0.00 O ATOM 333 CB LYS A 109 33.937 -7.525 -17.534 1.00 0.00 C ATOM 334 CG LYS A 109 34.545 -6.966 -18.831 1.00 0.00 C ATOM 335 CD LYS A 109 33.440 -6.819 -19.880 1.00 0.00 C ATOM 336 CE LYS A 109 34.040 -6.343 -21.203 1.00 0.00 C ATOM 337 NZ LYS A 109 33.004 -6.257 -22.248 1.00 0.00 N ATOM 0 H LYS A 109 32.620 -9.514 -16.855 1.00 0.00 H new ATOM 0 HA LYS A 109 35.342 -9.152 -17.881 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.862 -7.655 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.079 -6.809 -16.725 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.014 -6.000 -18.641 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.326 -7.632 -19.198 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.933 -7.773 -20.023 1.00 0.00 H new ATOM 0 HD3 LYS A 109 32.690 -6.108 -19.534 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.506 -5.367 -21.066 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.825 -7.030 -21.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.434 -5.932 -23.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.578 -7.195 -22.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.268 -5.584 -21.953 1.00 0.00 H new ATOM 351 N TYR A 110 34.513 -8.409 -14.747 1.00 0.00 N ATOM 352 CA TYR A 110 35.060 -8.195 -13.411 1.00 0.00 C ATOM 353 C TYR A 110 35.248 -9.512 -12.658 1.00 0.00 C ATOM 354 O TYR A 110 36.102 -9.594 -11.774 1.00 0.00 O ATOM 355 CB TYR A 110 34.124 -7.262 -12.640 1.00 0.00 C ATOM 356 CG TYR A 110 33.981 -5.905 -13.295 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.065 -5.008 -13.293 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.775 -5.545 -13.921 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.942 -3.755 -13.917 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.655 -4.293 -14.545 1.00 0.00 C ATOM 361 CZ TYR A 110 33.737 -3.399 -14.545 1.00 0.00 C ATOM 362 OH TYR A 110 33.619 -2.187 -15.159 1.00 0.00 O ATOM 0 H TYR A 110 33.506 -8.260 -14.812 1.00 0.00 H new ATOM 0 HA TYR A 110 36.046 -7.740 -13.504 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.141 -7.727 -12.558 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.501 -7.133 -11.625 1.00 0.00 H new ATOM 0 HD1 TYR A 110 35.992 -5.283 -12.812 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.941 -6.231 -13.922 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.774 -3.066 -13.914 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.728 -4.017 -15.026 1.00 0.00 H new ATOM 0 HH TYR A 110 32.974 -1.634 -14.670 1.00 0.00 H new ATOM 372 N GLY A 111 34.458 -10.535 -12.996 1.00 0.00 N ATOM 373 CA GLY A 111 34.544 -11.829 -12.335 1.00 0.00 C ATOM 374 C GLY A 111 33.476 -11.939 -11.244 1.00 0.00 C ATOM 375 O GLY A 111 32.729 -10.988 -11.006 1.00 0.00 O ATOM 0 H GLY A 111 33.750 -10.486 -13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.412 -12.628 -13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.534 -11.957 -11.898 1.00 0.00 H new ATOM 379 N PRO A 112 33.408 -13.108 -10.579 1.00 0.00 N ATOM 380 CA PRO A 112 32.472 -13.361 -9.502 1.00 0.00 C ATOM 381 C PRO A 112 32.588 -12.301 -8.408 1.00 0.00 C ATOM 382 O PRO A 112 33.617 -11.635 -8.285 1.00 0.00 O ATOM 383 CB PRO A 112 32.835 -14.748 -8.957 1.00 0.00 C ATOM 384 CG PRO A 112 33.863 -15.347 -9.920 1.00 0.00 C ATOM 385 CD PRO A 112 34.269 -14.228 -10.876 1.00 0.00 C ATOM 0 HA PRO A 112 31.441 -13.322 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 112 33.247 -14.672 -7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.950 -15.382 -8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.729 -15.725 -9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.437 -16.188 -10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.317 -13.960 -10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.154 -14.542 -11.913 1.00 0.00 H new ATOM 393 N LYS A 113 31.524 -12.159 -7.607 1.00 0.00 N ATOM 394 CA LYS A 113 31.488 -11.201 -6.509 1.00 0.00 C ATOM 395 C LYS A 113 31.655 -9.780 -7.057 1.00 0.00 C ATOM 396 O LYS A 113 31.225 -9.496 -8.172 1.00 0.00 O ATOM 397 CB LYS A 113 32.577 -11.543 -5.469 1.00 0.00 C ATOM 398 CG LYS A 113 32.613 -13.057 -5.185 1.00 0.00 C ATOM 399 CD LYS A 113 31.249 -13.539 -4.665 1.00 0.00 C ATOM 400 CE LYS A 113 31.286 -15.052 -4.418 1.00 0.00 C ATOM 401 NZ LYS A 113 32.222 -15.399 -3.332 1.00 0.00 N ATOM 0 H LYS A 113 30.669 -12.706 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 113 30.523 -11.257 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.550 -11.215 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.384 -11.000 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.874 -13.598 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.388 -13.277 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.998 -13.018 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.470 -13.299 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 113 30.286 -15.405 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.583 -15.564 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.066 -16.385 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.200 -15.288 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 32.061 -14.769 -2.521 1.00 0.00 H new ATOM 415 N ARG A 114 32.272 -8.889 -6.265 1.00 0.00 N ATOM 416 CA ARG A 114 32.482 -7.497 -6.656 1.00 0.00 C ATOM 417 C ARG A 114 31.144 -6.849 -7.017 1.00 0.00 C ATOM 418 O ARG A 114 31.057 -6.069 -7.967 1.00 0.00 O ATOM 419 CB ARG A 114 33.460 -7.421 -7.841 1.00 0.00 C ATOM 420 CG ARG A 114 34.771 -8.139 -7.498 1.00 0.00 C ATOM 421 CD ARG A 114 35.718 -8.080 -8.699 1.00 0.00 C ATOM 422 NE ARG A 114 36.144 -6.700 -8.969 1.00 0.00 N ATOM 423 CZ ARG A 114 36.926 -6.361 -10.009 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.308 -7.288 -10.899 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.326 -5.092 -10.157 1.00 0.00 N ATOM 0 H ARG A 114 32.636 -9.118 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 114 32.916 -6.952 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.009 -7.876 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.662 -6.379 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.237 -7.671 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.570 -9.177 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.592 -8.703 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.221 -8.489 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 114 35.831 -5.963 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.005 -8.256 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.901 -7.025 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.038 -4.384 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.919 -4.833 -10.945 1.00 0.00 H new ATOM 439 N TRP A 115 30.101 -7.178 -6.252 1.00 0.00 N ATOM 440 CA TRP A 115 28.766 -6.663 -6.495 1.00 0.00 C ATOM 441 C TRP A 115 28.719 -5.155 -6.274 1.00 0.00 C ATOM 442 O TRP A 115 27.883 -4.477 -6.859 1.00 0.00 O ATOM 443 CB TRP A 115 27.783 -7.402 -5.597 1.00 0.00 C ATOM 444 CG TRP A 115 27.778 -8.876 -5.838 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.122 -9.821 -4.950 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.460 -9.593 -7.067 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.046 -11.073 -5.513 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.645 -10.992 -6.835 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.042 -9.209 -8.363 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.436 -11.947 -7.832 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.828 -10.172 -9.368 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.032 -11.532 -9.105 1.00 0.00 C ATOM 0 H TRP A 115 30.165 -7.807 -5.451 1.00 0.00 H new ATOM 0 HA TRP A 115 28.486 -6.834 -7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.034 -7.209 -4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.780 -7.008 -5.761 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.419 -9.625 -3.930 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.256 -11.943 -5.023 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.885 -8.164 -8.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.585 -12.996 -7.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.504 -9.859 -10.350 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.877 -12.262 -9.886 1.00 0.00 H new ATOM 463 N SER A 116 29.623 -4.628 -5.445 1.00 0.00 N ATOM 464 CA SER A 116 29.696 -3.198 -5.203 1.00 0.00 C ATOM 465 C SER A 116 30.028 -2.471 -6.510 1.00 0.00 C ATOM 466 O SER A 116 29.554 -1.362 -6.742 1.00 0.00 O ATOM 467 CB SER A 116 30.764 -2.920 -4.143 1.00 0.00 C ATOM 468 OG SER A 116 30.540 -3.747 -3.019 1.00 0.00 O ATOM 0 H SER A 116 30.313 -5.177 -4.932 1.00 0.00 H new ATOM 0 HA SER A 116 28.735 -2.833 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.756 -3.107 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.734 -1.871 -3.848 1.00 0.00 H new ATOM 0 HG SER A 116 31.225 -3.570 -2.341 1.00 0.00 H new ATOM 474 N VAL A 117 30.846 -3.107 -7.364 1.00 0.00 N ATOM 475 CA VAL A 117 31.246 -2.530 -8.640 1.00 0.00 C ATOM 476 C VAL A 117 30.180 -2.823 -9.694 1.00 0.00 C ATOM 477 O VAL A 117 29.764 -1.924 -10.419 1.00 0.00 O ATOM 478 CB VAL A 117 32.607 -3.115 -9.056 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.035 -2.532 -10.405 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.661 -2.772 -7.998 1.00 0.00 C ATOM 0 H VAL A 117 31.242 -4.029 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 117 31.344 -1.449 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 117 32.516 -4.198 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.999 -2.951 -10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.291 -2.781 -11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.120 -1.448 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.624 -3.188 -8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.746 -1.689 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.364 -3.195 -7.038 1.00 0.00 H new ATOM 490 N ILE A 118 29.741 -4.084 -9.778 1.00 0.00 N ATOM 491 CA ILE A 118 28.736 -4.493 -10.753 1.00 0.00 C ATOM 492 C ILE A 118 27.464 -3.653 -10.585 1.00 0.00 C ATOM 493 O ILE A 118 26.877 -3.230 -11.574 1.00 0.00 O ATOM 494 CB ILE A 118 28.446 -5.994 -10.582 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.675 -6.803 -11.034 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.227 -6.396 -11.424 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.597 -8.230 -10.491 1.00 0.00 C ATOM 0 H ILE A 118 30.071 -4.839 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 118 29.110 -4.325 -11.763 1.00 0.00 H new ATOM 0 HB ILE A 118 28.234 -6.201 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.726 -6.823 -12.123 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.587 -6.321 -10.681 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.031 -7.460 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.357 -5.825 -11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.426 -6.188 -12.475 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.472 -8.792 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.569 -8.204 -9.402 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.695 -8.713 -10.866 1.00 0.00 H new ATOM 509 N ALA A 119 27.043 -3.414 -9.336 1.00 0.00 N ATOM 510 CA ALA A 119 25.838 -2.638 -9.053 1.00 0.00 C ATOM 511 C ALA A 119 25.946 -1.227 -9.638 1.00 0.00 C ATOM 512 O ALA A 119 24.966 -0.698 -10.159 1.00 0.00 O ATOM 513 CB ALA A 119 25.623 -2.572 -7.540 1.00 0.00 C ATOM 0 H ALA A 119 27.526 -3.751 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 119 24.984 -3.128 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.725 -1.994 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.508 -3.581 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.483 -2.094 -7.071 1.00 0.00 H new ATOM 519 N LYS A 120 27.136 -0.615 -9.552 1.00 0.00 N ATOM 520 CA LYS A 120 27.351 0.735 -10.065 1.00 0.00 C ATOM 521 C LYS A 120 27.145 0.780 -11.585 1.00 0.00 C ATOM 522 O LYS A 120 26.926 1.858 -12.144 1.00 0.00 O ATOM 523 CB LYS A 120 28.765 1.205 -9.695 1.00 0.00 C ATOM 524 CG LYS A 120 28.778 1.725 -8.252 1.00 0.00 C ATOM 525 CD LYS A 120 30.065 2.522 -7.980 1.00 0.00 C ATOM 526 CE LYS A 120 31.287 1.593 -7.969 1.00 0.00 C ATOM 527 NZ LYS A 120 31.874 1.451 -9.316 1.00 0.00 N ATOM 0 H LYS A 120 27.962 -1.039 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 120 26.622 1.406 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.471 0.382 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.087 1.991 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.908 2.358 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.707 0.889 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.192 3.289 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.984 3.036 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.038 1.987 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.996 0.612 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.626 0.519 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.501 2.197 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.909 1.536 -9.255 1.00 0.00 H new ATOM 541 N HIS A 121 27.209 -0.382 -12.252 1.00 0.00 N ATOM 542 CA HIS A 121 27.021 -0.465 -13.693 1.00 0.00 C ATOM 543 C HIS A 121 25.578 -0.862 -13.972 1.00 0.00 C ATOM 544 O HIS A 121 24.935 -0.301 -14.859 1.00 0.00 O ATOM 545 CB HIS A 121 28.005 -1.483 -14.274 1.00 0.00 C ATOM 546 CG HIS A 121 29.423 -1.212 -13.843 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.985 0.059 -13.868 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.415 -2.025 -13.359 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.246 -0.066 -13.409 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.571 -1.313 -13.080 1.00 0.00 N ATOM 0 H HIS A 121 27.392 -1.280 -11.804 1.00 0.00 H new ATOM 0 HA HIS A 121 27.216 0.498 -14.166 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.716 -2.486 -13.959 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.947 -1.462 -15.362 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.531 0.920 -14.174 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.309 -3.090 -13.213 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.927 0.767 -13.317 1.00 0.00 H new ATOM 558 N LEU A 122 25.071 -1.823 -13.194 1.00 0.00 N ATOM 559 CA LEU A 122 23.698 -2.268 -13.300 1.00 0.00 C ATOM 560 C LEU A 122 22.823 -1.285 -12.511 1.00 0.00 C ATOM 561 O LEU A 122 22.250 -1.631 -11.477 1.00 0.00 O ATOM 562 CB LEU A 122 23.597 -3.709 -12.751 1.00 0.00 C ATOM 563 CG LEU A 122 22.488 -4.509 -13.463 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.215 -3.672 -13.602 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.964 -4.949 -14.850 1.00 0.00 C ATOM 0 H LEU A 122 25.609 -2.308 -12.476 1.00 0.00 H new ATOM 0 HA LEU A 122 23.354 -2.285 -14.334 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.553 -4.216 -12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.395 -3.678 -11.680 1.00 0.00 H new ATOM 0 HG LEU A 122 22.264 -5.388 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.447 -4.258 -14.107 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.859 -3.384 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.430 -2.777 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.173 -5.513 -15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.210 -4.070 -15.446 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.849 -5.577 -14.749 1.00 0.00 H new ATOM 577 N LYS A 123 22.740 -0.045 -13.007 1.00 0.00 N ATOM 578 CA LYS A 123 21.985 1.009 -12.349 1.00 0.00 C ATOM 579 C LYS A 123 20.525 0.585 -12.195 1.00 0.00 C ATOM 580 O LYS A 123 19.807 0.443 -13.184 1.00 0.00 O ATOM 581 CB LYS A 123 22.103 2.302 -13.162 1.00 0.00 C ATOM 582 CG LYS A 123 23.578 2.714 -13.262 1.00 0.00 C ATOM 583 CD LYS A 123 23.683 4.119 -13.860 1.00 0.00 C ATOM 584 CE LYS A 123 25.140 4.423 -14.228 1.00 0.00 C ATOM 585 NZ LYS A 123 26.026 4.325 -13.052 1.00 0.00 N ATOM 0 H LYS A 123 23.195 0.248 -13.872 1.00 0.00 H new ATOM 0 HA LYS A 123 22.390 1.188 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.687 2.156 -14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.525 3.095 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.039 2.694 -12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.123 2.003 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.052 4.195 -14.746 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.318 4.856 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.475 3.727 -14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.208 5.424 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.945 4.759 -13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.592 4.822 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.166 3.324 -12.805 1.00 0.00 H new ATOM 599 N GLY A 124 20.100 0.380 -10.942 1.00 0.00 N ATOM 600 CA GLY A 124 18.746 -0.051 -10.631 1.00 0.00 C ATOM 601 C GLY A 124 18.788 -1.256 -9.696 1.00 0.00 C ATOM 602 O GLY A 124 17.860 -1.470 -8.919 1.00 0.00 O ATOM 0 H GLY A 124 20.691 0.510 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.194 0.764 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.217 -0.310 -11.548 1.00 0.00 H new ATOM 606 N ARG A 125 19.874 -2.043 -9.777 1.00 0.00 N ATOM 607 CA ARG A 125 20.050 -3.226 -8.950 1.00 0.00 C ATOM 608 C ARG A 125 21.213 -3.002 -7.988 1.00 0.00 C ATOM 609 O ARG A 125 22.365 -2.921 -8.412 1.00 0.00 O ATOM 610 CB ARG A 125 20.328 -4.437 -9.847 1.00 0.00 C ATOM 611 CG ARG A 125 19.174 -4.661 -10.831 1.00 0.00 C ATOM 612 CD ARG A 125 17.913 -5.122 -10.092 1.00 0.00 C ATOM 613 NE ARG A 125 16.915 -5.587 -11.054 1.00 0.00 N ATOM 614 CZ ARG A 125 15.688 -6.006 -10.718 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.340 -6.111 -9.430 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.813 -6.318 -11.681 1.00 0.00 N ATOM 0 H ARG A 125 20.647 -1.869 -10.419 1.00 0.00 H new ATOM 0 HA ARG A 125 19.144 -3.413 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.256 -4.283 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.466 -5.327 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.967 -3.738 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.461 -5.408 -11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.161 -5.923 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.507 -4.301 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 125 17.169 -5.593 -12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.010 -5.871 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.404 -6.431 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.083 -6.236 -12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.876 -6.638 -11.435 1.00 0.00 H new ATOM 630 N ILE A 126 20.908 -2.904 -6.691 1.00 0.00 N ATOM 631 CA ILE A 126 21.926 -2.704 -5.668 1.00 0.00 C ATOM 632 C ILE A 126 22.721 -4.000 -5.467 1.00 0.00 C ATOM 633 O ILE A 126 22.486 -4.991 -6.164 1.00 0.00 O ATOM 634 CB ILE A 126 21.254 -2.257 -4.357 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.173 -3.271 -3.945 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.619 -0.874 -4.552 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.878 -3.142 -2.449 1.00 0.00 C ATOM 0 H ILE A 126 19.957 -2.961 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 126 22.620 -1.925 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 126 22.007 -2.204 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.263 -3.099 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.507 -4.283 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.143 -0.558 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.390 -0.155 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.871 -0.925 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.112 -3.863 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.787 -3.337 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.524 -2.134 -2.233 1.00 0.00 H new ATOM 649 N GLY A 127 23.660 -3.991 -4.509 1.00 0.00 N ATOM 650 CA GLY A 127 24.479 -5.157 -4.207 1.00 0.00 C ATOM 651 C GLY A 127 23.663 -6.186 -3.424 1.00 0.00 C ATOM 652 O GLY A 127 23.963 -6.470 -2.267 1.00 0.00 O ATOM 0 H GLY A 127 23.866 -3.177 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.847 -5.601 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.352 -4.857 -3.628 1.00 0.00 H new ATOM 656 N LYS A 128 22.631 -6.737 -4.068 1.00 0.00 N ATOM 657 CA LYS A 128 21.757 -7.725 -3.461 1.00 0.00 C ATOM 658 C LYS A 128 21.028 -8.474 -4.569 1.00 0.00 C ATOM 659 O LYS A 128 21.148 -9.690 -4.681 1.00 0.00 O ATOM 660 CB LYS A 128 20.760 -7.022 -2.527 1.00 0.00 C ATOM 661 CG LYS A 128 19.754 -8.036 -1.970 1.00 0.00 C ATOM 662 CD LYS A 128 18.634 -7.294 -1.232 1.00 0.00 C ATOM 663 CE LYS A 128 17.554 -8.285 -0.782 1.00 0.00 C ATOM 664 NZ LYS A 128 17.000 -9.034 -1.927 1.00 0.00 N ATOM 0 H LYS A 128 22.383 -6.504 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 128 22.335 -8.436 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.294 -6.541 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.234 -6.236 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.336 -8.633 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.255 -8.726 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.042 -6.771 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.196 -6.538 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.977 -8.983 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.753 -7.747 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.010 -9.285 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.045 -8.444 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.554 -9.901 -2.075 1.00 0.00 H new ATOM 678 N GLN A 129 20.270 -7.737 -5.391 1.00 0.00 N ATOM 679 CA GLN A 129 19.521 -8.327 -6.488 1.00 0.00 C ATOM 680 C GLN A 129 20.474 -9.051 -7.429 1.00 0.00 C ATOM 681 O GLN A 129 20.211 -10.178 -7.828 1.00 0.00 O ATOM 682 CB GLN A 129 18.760 -7.232 -7.245 1.00 0.00 C ATOM 683 CG GLN A 129 17.804 -6.484 -6.310 1.00 0.00 C ATOM 684 CD GLN A 129 16.922 -7.458 -5.538 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.935 -7.479 -4.308 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.158 -8.269 -6.267 1.00 0.00 N ATOM 0 H GLN A 129 20.164 -6.726 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 129 18.803 -9.044 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.468 -6.530 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.198 -7.676 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.376 -5.874 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.180 -5.804 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.182 -8.214 -7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.549 -8.946 -5.807 1.00 0.00 H new ATOM 695 N CYS A 130 21.583 -8.396 -7.780 1.00 0.00 N ATOM 696 CA CYS A 130 22.584 -8.982 -8.662 1.00 0.00 C ATOM 697 C CYS A 130 23.148 -10.251 -8.027 1.00 0.00 C ATOM 698 O CYS A 130 23.218 -11.295 -8.675 1.00 0.00 O ATOM 699 CB CYS A 130 23.702 -7.965 -8.913 1.00 0.00 C ATOM 700 SG CYS A 130 23.034 -6.566 -9.845 1.00 0.00 S ATOM 0 H CYS A 130 21.808 -7.453 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 130 22.126 -9.243 -9.616 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.117 -7.621 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.517 -8.431 -9.467 1.00 0.00 H new ATOM 0 HG CYS A 130 23.977 -5.698 -10.060 1.00 0.00 H new ATOM 706 N ARG A 131 23.549 -10.153 -6.752 1.00 0.00 N ATOM 707 CA ARG A 131 24.109 -11.276 -6.016 1.00 0.00 C ATOM 708 C ARG A 131 23.155 -12.467 -6.058 1.00 0.00 C ATOM 709 O ARG A 131 23.583 -13.598 -6.282 1.00 0.00 O ATOM 710 CB ARG A 131 24.372 -10.837 -4.569 1.00 0.00 C ATOM 711 CG ARG A 131 25.218 -11.889 -3.830 1.00 0.00 C ATOM 712 CD ARG A 131 24.361 -12.661 -2.813 1.00 0.00 C ATOM 713 NE ARG A 131 23.688 -13.809 -3.438 1.00 0.00 N ATOM 714 CZ ARG A 131 22.858 -14.627 -2.766 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.503 -14.339 -1.506 1.00 0.00 N ATOM 716 NH2 ARG A 131 22.384 -15.734 -3.354 1.00 0.00 N ATOM 0 H ARG A 131 23.491 -9.291 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 131 25.048 -11.587 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.888 -9.877 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.425 -10.693 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.652 -12.584 -4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.047 -11.401 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.991 -13.009 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.617 -11.992 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 131 23.858 -13.994 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.862 -13.498 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 131 21.873 -14.961 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 131 22.653 -15.957 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 131 21.755 -16.353 -2.843 1.00 0.00 H new ATOM 730 N GLU A 132 21.864 -12.213 -5.832 1.00 0.00 N ATOM 731 CA GLU A 132 20.858 -13.259 -5.825 1.00 0.00 C ATOM 732 C GLU A 132 20.657 -13.806 -7.230 1.00 0.00 C ATOM 733 O GLU A 132 20.901 -14.984 -7.461 1.00 0.00 O ATOM 734 CB GLU A 132 19.551 -12.694 -5.262 1.00 0.00 C ATOM 735 CG GLU A 132 19.683 -12.509 -3.745 1.00 0.00 C ATOM 736 CD GLU A 132 18.665 -11.505 -3.212 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.705 -11.203 -3.952 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.866 -11.049 -2.066 1.00 0.00 O ATOM 0 H GLU A 132 21.495 -11.279 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 132 21.188 -14.083 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.321 -11.740 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.725 -13.369 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.544 -13.469 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.690 -12.169 -3.505 1.00 0.00 H new ATOM 745 N ARG A 133 20.214 -12.953 -8.163 1.00 0.00 N ATOM 746 CA ARG A 133 19.972 -13.356 -9.545 1.00 0.00 C ATOM 747 C ARG A 133 21.072 -14.300 -10.021 1.00 0.00 C ATOM 748 O ARG A 133 20.796 -15.299 -10.685 1.00 0.00 O ATOM 749 CB ARG A 133 19.925 -12.104 -10.437 1.00 0.00 C ATOM 750 CG ARG A 133 19.372 -12.451 -11.826 1.00 0.00 C ATOM 751 CD ARG A 133 17.851 -12.610 -11.772 1.00 0.00 C ATOM 752 NE ARG A 133 17.316 -12.885 -13.113 1.00 0.00 N ATOM 753 CZ ARG A 133 16.052 -13.280 -13.338 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.228 -13.494 -12.312 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.619 -13.453 -14.589 1.00 0.00 N ATOM 0 H ARG A 133 20.016 -11.970 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 133 19.019 -13.881 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.300 -11.342 -9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.925 -11.681 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.637 -11.667 -12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.828 -13.374 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.588 -13.423 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.398 -11.703 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 133 17.937 -12.770 -13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.557 -13.358 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.268 -13.794 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.248 -13.285 -15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.659 -13.753 -14.760 1.00 0.00 H new ATOM 769 N TRP A 134 22.320 -13.974 -9.678 1.00 0.00 N ATOM 770 CA TRP A 134 23.457 -14.759 -10.088 1.00 0.00 C ATOM 771 C TRP A 134 23.584 -16.047 -9.268 1.00 0.00 C ATOM 772 O TRP A 134 23.488 -17.139 -9.823 1.00 0.00 O ATOM 773 CB TRP A 134 24.717 -13.907 -9.964 1.00 0.00 C ATOM 774 CG TRP A 134 25.830 -14.392 -10.812 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.999 -14.882 -10.381 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.888 -14.456 -12.257 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.789 -15.252 -11.436 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.143 -15.016 -12.638 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.001 -14.098 -13.294 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.493 -15.219 -13.975 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.344 -14.297 -14.634 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.582 -14.866 -14.980 1.00 0.00 C ATOM 0 H TRP A 134 22.557 -13.160 -9.111 1.00 0.00 H new ATOM 0 HA TRP A 134 23.319 -15.061 -11.126 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.481 -12.878 -10.237 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.040 -13.895 -8.923 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.280 -14.973 -9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.725 -15.647 -11.349 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.043 -13.664 -13.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.453 -15.642 -14.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.651 -14.011 -15.411 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.831 -15.031 -16.018 1.00 0.00 H new ATOM 793 N HIS A 135 23.817 -15.926 -7.951 1.00 0.00 N ATOM 794 CA HIS A 135 24.038 -17.092 -7.097 1.00 0.00 C ATOM 795 C HIS A 135 22.713 -17.761 -6.693 1.00 0.00 C ATOM 796 O HIS A 135 22.496 -18.063 -5.520 1.00 0.00 O ATOM 797 CB HIS A 135 24.859 -16.675 -5.872 1.00 0.00 C ATOM 798 CG HIS A 135 26.271 -16.274 -6.231 1.00 0.00 C ATOM 799 ND1 HIS A 135 27.097 -17.058 -7.032 1.00 0.00 N ATOM 800 CD2 HIS A 135 27.033 -15.180 -5.913 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.272 -16.406 -7.138 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.299 -15.249 -6.475 1.00 0.00 N ATOM 0 H HIS A 135 23.856 -15.033 -7.461 1.00 0.00 H new ATOM 0 HA HIS A 135 24.599 -17.839 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.364 -15.842 -5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.889 -17.500 -5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.689 -14.362 -5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.110 -16.784 -7.705 1.00 0.00 H new ATOM 0 HE2 HIS A 135 29.064 -14.579 -6.400 1.00 0.00 H new ATOM 810 N ASN A 136 21.852 -18.011 -7.685 1.00 0.00 N ATOM 811 CA ASN A 136 20.601 -18.749 -7.510 1.00 0.00 C ATOM 812 C ASN A 136 20.303 -19.463 -8.810 1.00 0.00 C ATOM 813 O ASN A 136 20.236 -20.689 -8.860 1.00 0.00 O ATOM 814 CB ASN A 136 19.437 -17.810 -7.178 1.00 0.00 C ATOM 815 CG ASN A 136 19.384 -17.494 -5.697 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.721 -18.187 -4.932 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.080 -16.447 -5.296 1.00 0.00 N ATOM 0 H ASN A 136 22.008 -17.701 -8.644 1.00 0.00 H new ATOM 0 HA ASN A 136 20.711 -19.450 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.541 -16.885 -7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.498 -18.269 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.082 -16.183 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.616 -15.902 -5.971 1.00 0.00 H new ATOM 824 N HIS A 137 20.122 -18.667 -9.863 1.00 0.00 N ATOM 825 CA HIS A 137 19.819 -19.180 -11.191 1.00 0.00 C ATOM 826 C HIS A 137 21.121 -19.475 -11.951 1.00 0.00 C ATOM 827 O HIS A 137 22.004 -20.153 -11.430 1.00 0.00 O ATOM 828 CB HIS A 137 18.958 -18.155 -11.940 1.00 0.00 C ATOM 829 CG HIS A 137 17.844 -17.605 -11.098 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.851 -18.397 -10.537 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.548 -16.333 -10.704 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.034 -17.568 -9.855 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.407 -16.287 -9.918 1.00 0.00 N ATOM 0 H HIS A 137 20.182 -17.650 -9.816 1.00 0.00 H new ATOM 0 HA HIS A 137 19.262 -20.114 -11.111 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.590 -17.334 -12.279 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.538 -18.622 -12.831 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.133 -15.465 -10.972 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.164 -17.907 -9.312 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.962 -15.474 -9.492 1.00 0.00 H new ATOM 841 N LEU A 138 21.228 -18.964 -13.188 1.00 0.00 N ATOM 842 CA LEU A 138 22.396 -19.172 -14.027 1.00 0.00 C ATOM 843 C LEU A 138 23.668 -18.698 -13.316 1.00 0.00 C ATOM 844 O LEU A 138 23.731 -17.574 -12.823 1.00 0.00 O ATOM 845 CB LEU A 138 22.205 -18.432 -15.364 1.00 0.00 C ATOM 846 CG LEU A 138 21.823 -16.955 -15.127 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.743 -16.053 -15.943 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.375 -16.712 -15.559 1.00 0.00 C ATOM 0 H LEU A 138 20.502 -18.397 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 138 22.508 -20.238 -14.225 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.124 -18.485 -15.948 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.427 -18.924 -15.948 1.00 0.00 H new ATOM 0 HG LEU A 138 21.927 -16.729 -14.066 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.473 -15.010 -15.775 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.776 -16.214 -15.636 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.638 -16.289 -17.002 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.115 -15.667 -15.388 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.268 -16.944 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.710 -17.351 -14.978 1.00 0.00 H new