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 110 TYR OH : rot -157:sc= 0.0182 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.0296 K(o=-0.011,f=-0.52) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.005 (180deg=-0.184) USER MOD Single : A 101 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.114) USER MOD Single : A 113 LYS NZ :NH3+ 166:sc=-0.00677 (180deg=-0.166) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.00581 USER MOD Single : A 135 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 136 ASN : amide:sc= 1.22 K(o=1.2,f=-0.012) USER MOD Single : A 137 HIS : no HE2:sc= -0.29 K(o=-0.29,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.684 -8.619 -12.757 1.00 0.00 N ATOM 85 CA TRP A 95 14.732 -8.946 -13.724 1.00 0.00 C ATOM 86 C TRP A 95 14.186 -9.091 -15.150 1.00 0.00 C ATOM 87 O TRP A 95 13.013 -9.394 -15.359 1.00 0.00 O ATOM 88 CB TRP A 95 15.475 -10.210 -13.273 1.00 0.00 C ATOM 89 CG TRP A 95 16.424 -9.960 -12.150 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.165 -10.117 -10.841 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.784 -9.461 -12.220 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.251 -9.748 -10.081 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.290 -9.324 -10.890 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.645 -9.095 -13.274 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.573 -8.843 -10.628 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.937 -8.606 -13.017 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.401 -8.477 -11.695 1.00 0.00 C ATOM 0 HA TRP A 95 15.436 -8.114 -13.754 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.748 -10.962 -12.966 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.023 -10.624 -14.119 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.231 -10.483 -10.440 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.285 -9.782 -9.062 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.307 -9.192 -14.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.924 -8.754 -9.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.578 -8.327 -13.840 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.394 -8.097 -11.504 1.00 0.00 H new ATOM 108 N THR A 96 15.068 -8.862 -16.137 1.00 0.00 N ATOM 109 CA THR A 96 14.723 -8.971 -17.548 1.00 0.00 C ATOM 110 C THR A 96 15.901 -9.595 -18.294 1.00 0.00 C ATOM 111 O THR A 96 17.019 -9.606 -17.785 1.00 0.00 O ATOM 112 CB THR A 96 14.389 -7.583 -18.128 1.00 0.00 C ATOM 113 OG1 THR A 96 15.572 -6.830 -18.283 1.00 0.00 O ATOM 114 CG2 THR A 96 13.430 -6.830 -17.201 1.00 0.00 C ATOM 0 H THR A 96 16.039 -8.596 -15.970 1.00 0.00 H new ATOM 0 HA THR A 96 13.842 -9.602 -17.664 1.00 0.00 H new ATOM 0 HB THR A 96 13.912 -7.722 -19.098 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.353 -5.950 -18.654 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.205 -5.852 -17.627 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.507 -7.399 -17.092 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.894 -6.702 -16.223 1.00 0.00 H new ATOM 122 N LYS A 97 15.650 -10.113 -19.502 1.00 0.00 N ATOM 123 CA LYS A 97 16.690 -10.742 -20.307 1.00 0.00 C ATOM 124 C LYS A 97 17.828 -9.750 -20.573 1.00 0.00 C ATOM 125 O LYS A 97 18.994 -10.132 -20.573 1.00 0.00 O ATOM 126 CB LYS A 97 16.071 -11.238 -21.622 1.00 0.00 C ATOM 127 CG LYS A 97 17.133 -11.911 -22.509 1.00 0.00 C ATOM 128 CD LYS A 97 17.756 -13.110 -21.778 1.00 0.00 C ATOM 129 CE LYS A 97 18.556 -13.967 -22.765 1.00 0.00 C ATOM 130 NZ LYS A 97 17.664 -14.731 -23.658 1.00 0.00 N ATOM 0 H LYS A 97 14.729 -10.106 -19.941 1.00 0.00 H new ATOM 0 HA LYS A 97 17.111 -11.592 -19.770 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.269 -11.945 -21.407 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.623 -10.400 -22.156 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.680 -12.242 -23.444 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.909 -11.191 -22.768 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.407 -12.760 -20.977 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.973 -13.710 -21.314 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.208 -13.327 -23.360 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.199 -14.654 -22.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.203 -15.491 -24.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.889 -15.146 -23.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.270 -14.096 -24.382 1.00 0.00 H new ATOM 144 N GLU A 98 17.480 -8.479 -20.801 1.00 0.00 N ATOM 145 CA GLU A 98 18.461 -7.436 -21.070 1.00 0.00 C ATOM 146 C GLU A 98 19.350 -7.237 -19.843 1.00 0.00 C ATOM 147 O GLU A 98 20.577 -7.237 -19.951 1.00 0.00 O ATOM 148 CB GLU A 98 17.717 -6.142 -21.437 1.00 0.00 C ATOM 149 CG GLU A 98 18.714 -5.010 -21.743 1.00 0.00 C ATOM 150 CD GLU A 98 19.150 -4.271 -20.476 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.294 -4.109 -19.580 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.336 -3.876 -20.431 1.00 0.00 O ATOM 0 H GLU A 98 16.514 -8.151 -20.803 1.00 0.00 H new ATOM 0 HA GLU A 98 19.102 -7.721 -21.904 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.080 -6.316 -22.304 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.064 -5.846 -20.616 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.591 -5.424 -22.241 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.258 -4.303 -22.436 1.00 0.00 H new ATOM 159 N GLU A 99 18.722 -7.070 -18.676 1.00 0.00 N ATOM 160 CA GLU A 99 19.438 -6.871 -17.427 1.00 0.00 C ATOM 161 C GLU A 99 20.371 -8.057 -17.178 1.00 0.00 C ATOM 162 O GLU A 99 21.552 -7.873 -16.886 1.00 0.00 O ATOM 163 CB GLU A 99 18.418 -6.732 -16.289 1.00 0.00 C ATOM 164 CG GLU A 99 18.552 -5.362 -15.623 1.00 0.00 C ATOM 165 CD GLU A 99 17.309 -5.026 -14.808 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.548 -5.974 -14.503 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.141 -3.829 -14.501 1.00 0.00 O ATOM 0 H GLU A 99 17.707 -7.070 -18.577 1.00 0.00 H new ATOM 0 HA GLU A 99 20.042 -5.965 -17.477 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.408 -6.857 -16.679 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.575 -7.520 -15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.429 -5.353 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.710 -4.598 -16.384 1.00 0.00 H new ATOM 174 N ASP A 100 19.830 -9.274 -17.297 1.00 0.00 N ATOM 175 CA ASP A 100 20.596 -10.492 -17.091 1.00 0.00 C ATOM 176 C ASP A 100 21.779 -10.543 -18.056 1.00 0.00 C ATOM 177 O ASP A 100 22.890 -10.848 -17.645 1.00 0.00 O ATOM 178 CB ASP A 100 19.682 -11.706 -17.285 1.00 0.00 C ATOM 179 CG ASP A 100 19.037 -12.108 -15.969 1.00 0.00 C ATOM 180 OD1 ASP A 100 17.946 -11.574 -15.686 1.00 0.00 O ATOM 181 OD2 ASP A 100 19.644 -12.942 -15.265 1.00 0.00 O ATOM 0 H ASP A 100 18.852 -9.435 -17.538 1.00 0.00 H new ATOM 0 HA ASP A 100 20.990 -10.506 -16.075 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.910 -11.473 -18.018 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.258 -12.541 -17.684 1.00 0.00 H new ATOM 186 N GLN A 101 21.539 -10.243 -19.338 1.00 0.00 N ATOM 187 CA GLN A 101 22.592 -10.258 -20.346 1.00 0.00 C ATOM 188 C GLN A 101 23.717 -9.303 -19.940 1.00 0.00 C ATOM 189 O GLN A 101 24.894 -9.649 -20.035 1.00 0.00 O ATOM 190 CB GLN A 101 21.997 -9.861 -21.705 1.00 0.00 C ATOM 191 CG GLN A 101 23.069 -9.936 -22.801 1.00 0.00 C ATOM 192 CD GLN A 101 23.639 -11.346 -22.924 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.827 -11.558 -22.706 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.787 -12.309 -23.275 1.00 0.00 N ATOM 0 H GLN A 101 20.619 -9.987 -19.697 1.00 0.00 H new ATOM 0 HA GLN A 101 23.013 -11.260 -20.427 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.167 -10.523 -21.953 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.593 -8.850 -21.651 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.639 -9.631 -23.755 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.873 -9.235 -22.575 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.807 -12.085 -23.446 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.115 -13.270 -23.372 1.00 0.00 H new ATOM 203 N ARG A 102 23.350 -8.102 -19.488 1.00 0.00 N ATOM 204 CA ARG A 102 24.321 -7.106 -19.071 1.00 0.00 C ATOM 205 C ARG A 102 25.145 -7.637 -17.896 1.00 0.00 C ATOM 206 O ARG A 102 26.372 -7.546 -17.906 1.00 0.00 O ATOM 207 CB ARG A 102 23.581 -5.819 -18.694 1.00 0.00 C ATOM 208 CG ARG A 102 24.558 -4.639 -18.673 1.00 0.00 C ATOM 209 CD ARG A 102 23.783 -3.338 -18.448 1.00 0.00 C ATOM 210 NE ARG A 102 22.821 -3.103 -19.537 1.00 0.00 N ATOM 211 CZ ARG A 102 23.133 -2.487 -20.691 1.00 0.00 C ATOM 212 NH1 ARG A 102 24.373 -2.022 -20.906 1.00 0.00 N ATOM 213 NH2 ARG A 102 22.194 -2.342 -21.631 1.00 0.00 N ATOM 0 H ARG A 102 22.379 -7.801 -19.404 1.00 0.00 H new ATOM 0 HA ARG A 102 25.010 -6.890 -19.887 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.781 -5.627 -19.409 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.113 -5.932 -17.716 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.295 -4.777 -17.882 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.106 -4.590 -19.614 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.255 -3.385 -17.495 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.479 -2.502 -18.386 1.00 0.00 H new ATOM 0 HE ARG A 102 21.862 -3.426 -19.409 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.091 -2.134 -20.190 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.598 -1.556 -21.785 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.252 -2.697 -21.469 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.420 -1.876 -22.510 1.00 0.00 H new ATOM 227 N VAL A 103 24.469 -8.193 -16.883 1.00 0.00 N ATOM 228 CA VAL A 103 25.141 -8.730 -15.708 1.00 0.00 C ATOM 229 C VAL A 103 26.071 -9.876 -16.107 1.00 0.00 C ATOM 230 O VAL A 103 27.191 -9.943 -15.625 1.00 0.00 O ATOM 231 CB VAL A 103 24.095 -9.192 -14.683 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.758 -10.048 -13.597 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.456 -7.966 -14.032 1.00 0.00 C ATOM 0 H VAL A 103 23.453 -8.280 -16.860 1.00 0.00 H new ATOM 0 HA VAL A 103 25.751 -7.951 -15.251 1.00 0.00 H new ATOM 0 HB VAL A 103 23.336 -9.787 -15.192 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.005 -10.369 -12.877 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.219 -10.923 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.522 -9.461 -13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.712 -8.287 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.225 -7.378 -13.531 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.975 -7.357 -14.797 1.00 0.00 H new ATOM 243 N ILE A 104 25.606 -10.774 -16.985 1.00 0.00 N ATOM 244 CA ILE A 104 26.408 -11.906 -17.438 1.00 0.00 C ATOM 245 C ILE A 104 27.764 -11.409 -17.938 1.00 0.00 C ATOM 246 O ILE A 104 28.804 -11.895 -17.495 1.00 0.00 O ATOM 247 CB ILE A 104 25.649 -12.663 -18.543 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.593 -13.580 -17.907 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.633 -13.500 -19.376 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.654 -14.137 -18.983 1.00 0.00 C ATOM 0 H ILE A 104 24.673 -10.733 -17.395 1.00 0.00 H new ATOM 0 HA ILE A 104 26.583 -12.593 -16.610 1.00 0.00 H new ATOM 0 HB ILE A 104 25.155 -11.944 -19.196 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.083 -14.400 -17.382 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.019 -13.025 -17.165 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.088 -14.033 -20.156 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.372 -12.843 -19.834 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.137 -14.219 -18.730 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.911 -14.785 -18.518 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.151 -13.313 -19.489 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.231 -14.710 -19.709 1.00 0.00 H new ATOM 262 N GLU A 105 27.749 -10.438 -18.858 1.00 0.00 N ATOM 263 CA GLU A 105 28.972 -9.881 -19.412 1.00 0.00 C ATOM 264 C GLU A 105 29.861 -9.354 -18.285 1.00 0.00 C ATOM 265 O GLU A 105 31.019 -9.745 -18.177 1.00 0.00 O ATOM 266 CB GLU A 105 28.606 -8.762 -20.404 1.00 0.00 C ATOM 267 CG GLU A 105 29.856 -7.969 -20.823 1.00 0.00 C ATOM 268 CD GLU A 105 30.935 -8.879 -21.401 1.00 0.00 C ATOM 269 OE1 GLU A 105 30.567 -9.762 -22.203 1.00 0.00 O ATOM 270 OE2 GLU A 105 32.111 -8.670 -21.029 1.00 0.00 O ATOM 0 H GLU A 105 26.895 -10.025 -19.231 1.00 0.00 H new ATOM 0 HA GLU A 105 29.530 -10.652 -19.943 1.00 0.00 H new ATOM 0 HB2 GLU A 105 28.131 -9.193 -21.286 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.880 -8.089 -19.948 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.579 -7.218 -21.563 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.254 -7.435 -19.960 1.00 0.00 H new ATOM 277 N LEU A 106 29.316 -8.463 -17.450 1.00 0.00 N ATOM 278 CA LEU A 106 30.070 -7.849 -16.361 1.00 0.00 C ATOM 279 C LEU A 106 30.641 -8.908 -15.407 1.00 0.00 C ATOM 280 O LEU A 106 31.745 -8.736 -14.892 1.00 0.00 O ATOM 281 CB LEU A 106 29.161 -6.879 -15.597 1.00 0.00 C ATOM 282 CG LEU A 106 28.727 -5.717 -16.508 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.635 -4.909 -15.803 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.922 -4.807 -16.811 1.00 0.00 C ATOM 0 H LEU A 106 28.347 -8.151 -17.512 1.00 0.00 H new ATOM 0 HA LEU A 106 30.912 -7.304 -16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.282 -7.408 -15.229 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.686 -6.489 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 106 28.345 -6.119 -17.446 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.323 -4.084 -16.443 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.780 -5.554 -15.599 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.024 -4.513 -14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.602 -3.989 -17.456 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.316 -4.401 -15.879 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.699 -5.383 -17.313 1.00 0.00 H new ATOM 296 N VAL A 107 29.897 -9.995 -15.167 1.00 0.00 N ATOM 297 CA VAL A 107 30.340 -11.045 -14.260 1.00 0.00 C ATOM 298 C VAL A 107 31.461 -11.853 -14.911 1.00 0.00 C ATOM 299 O VAL A 107 32.390 -12.275 -14.233 1.00 0.00 O ATOM 300 CB VAL A 107 29.148 -11.943 -13.892 1.00 0.00 C ATOM 301 CG1 VAL A 107 29.648 -13.233 -13.239 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.239 -11.205 -12.906 1.00 0.00 C ATOM 0 H VAL A 107 28.985 -10.164 -15.592 1.00 0.00 H new ATOM 0 HA VAL A 107 30.731 -10.601 -13.344 1.00 0.00 H new ATOM 0 HB VAL A 107 28.594 -12.186 -14.798 1.00 0.00 H new ATOM 0 HG11 VAL A 107 28.797 -13.864 -12.981 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.297 -13.765 -13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.207 -12.990 -12.335 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.393 -11.841 -12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 107 28.802 -10.961 -12.005 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.874 -10.287 -13.365 1.00 0.00 H new ATOM 312 N GLN A 108 31.376 -12.064 -16.225 1.00 0.00 N ATOM 313 CA GLN A 108 32.391 -12.811 -16.947 1.00 0.00 C ATOM 314 C GLN A 108 33.657 -11.961 -17.066 1.00 0.00 C ATOM 315 O GLN A 108 34.765 -12.492 -17.089 1.00 0.00 O ATOM 316 CB GLN A 108 31.845 -13.194 -18.327 1.00 0.00 C ATOM 317 CG GLN A 108 32.761 -14.229 -18.984 1.00 0.00 C ATOM 318 CD GLN A 108 32.151 -14.743 -20.283 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.576 -14.353 -21.367 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.152 -15.618 -20.172 1.00 0.00 N ATOM 0 H GLN A 108 30.610 -11.725 -16.807 1.00 0.00 H new ATOM 0 HA GLN A 108 32.644 -13.725 -16.411 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.837 -13.598 -18.229 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.773 -12.308 -18.957 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.735 -13.784 -19.185 1.00 0.00 H new ATOM 0 HG3 GLN A 108 32.926 -15.061 -18.300 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.833 -15.913 -19.249 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.707 -15.993 -21.010 1.00 0.00 H new ATOM 329 N LYS A 109 33.481 -10.636 -17.140 1.00 0.00 N ATOM 330 CA LYS A 109 34.588 -9.704 -17.260 1.00 0.00 C ATOM 331 C LYS A 109 35.321 -9.574 -15.922 1.00 0.00 C ATOM 332 O LYS A 109 36.522 -9.826 -15.850 1.00 0.00 O ATOM 333 CB LYS A 109 34.048 -8.339 -17.715 1.00 0.00 C ATOM 334 CG LYS A 109 34.683 -7.949 -19.050 1.00 0.00 C ATOM 335 CD LYS A 109 34.111 -6.605 -19.514 1.00 0.00 C ATOM 336 CE LYS A 109 34.503 -6.345 -20.972 1.00 0.00 C ATOM 337 NZ LYS A 109 35.966 -6.312 -21.137 1.00 0.00 N ATOM 0 H LYS A 109 32.564 -10.189 -17.118 1.00 0.00 H new ATOM 0 HA LYS A 109 35.298 -10.075 -17.999 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.964 -8.382 -17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.268 -7.582 -16.962 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.765 -7.878 -18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.486 -8.718 -19.797 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.025 -6.609 -19.416 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.486 -5.802 -18.879 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.081 -7.123 -21.608 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.077 -5.398 -21.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 36.201 -5.937 -22.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 36.384 -5.701 -20.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.348 -7.275 -21.043 1.00 0.00 H new ATOM 351 N TYR A 110 34.598 -9.170 -14.867 1.00 0.00 N ATOM 352 CA TYR A 110 35.192 -8.972 -13.550 1.00 0.00 C ATOM 353 C TYR A 110 35.193 -10.284 -12.766 1.00 0.00 C ATOM 354 O TYR A 110 36.247 -10.869 -12.530 1.00 0.00 O ATOM 355 CB TYR A 110 34.409 -7.894 -12.785 1.00 0.00 C ATOM 356 CG TYR A 110 34.193 -6.607 -13.557 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.211 -6.081 -14.379 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.970 -5.925 -13.436 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.998 -4.878 -15.075 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.762 -4.725 -14.131 1.00 0.00 C ATOM 361 CZ TYR A 110 33.773 -4.200 -14.950 1.00 0.00 C ATOM 362 OH TYR A 110 33.568 -3.030 -15.619 1.00 0.00 O ATOM 0 H TYR A 110 33.598 -8.975 -14.908 1.00 0.00 H new ATOM 0 HA TYR A 110 36.224 -8.643 -13.671 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.438 -8.300 -12.502 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.940 -7.664 -11.861 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.153 -6.601 -14.474 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.189 -6.326 -12.807 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.776 -4.475 -15.706 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.821 -4.204 -14.036 1.00 0.00 H new ATOM 0 HH TYR A 110 32.870 -2.512 -15.166 1.00 0.00 H new ATOM 372 N GLY A 111 34.002 -10.730 -12.355 1.00 0.00 N ATOM 373 CA GLY A 111 33.843 -11.941 -11.568 1.00 0.00 C ATOM 374 C GLY A 111 32.614 -11.791 -10.668 1.00 0.00 C ATOM 375 O GLY A 111 32.247 -10.665 -10.326 1.00 0.00 O ATOM 0 H GLY A 111 33.124 -10.255 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.727 -12.804 -12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.733 -12.117 -10.964 1.00 0.00 H new ATOM 379 N PRO A 112 31.969 -12.912 -10.277 1.00 0.00 N ATOM 380 CA PRO A 112 30.798 -12.888 -9.415 1.00 0.00 C ATOM 381 C PRO A 112 31.205 -12.595 -7.959 1.00 0.00 C ATOM 382 O PRO A 112 30.940 -13.392 -7.061 1.00 0.00 O ATOM 383 CB PRO A 112 30.176 -14.283 -9.568 1.00 0.00 C ATOM 384 CG PRO A 112 31.283 -15.184 -10.126 1.00 0.00 C ATOM 385 CD PRO A 112 32.361 -14.250 -10.680 1.00 0.00 C ATOM 0 HA PRO A 112 30.090 -12.105 -9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 112 29.816 -14.656 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 112 29.319 -14.256 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 112 31.690 -15.828 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 112 30.895 -15.837 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 112 33.343 -14.506 -10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.426 -14.328 -11.765 1.00 0.00 H new ATOM 393 N LYS A 113 31.858 -11.444 -7.733 1.00 0.00 N ATOM 394 CA LYS A 113 32.316 -11.047 -6.406 1.00 0.00 C ATOM 395 C LYS A 113 32.108 -9.559 -6.210 1.00 0.00 C ATOM 396 O LYS A 113 31.598 -9.120 -5.180 1.00 0.00 O ATOM 397 CB LYS A 113 33.806 -11.400 -6.235 1.00 0.00 C ATOM 398 CG LYS A 113 34.025 -12.923 -6.247 1.00 0.00 C ATOM 399 CD LYS A 113 33.486 -13.550 -4.952 1.00 0.00 C ATOM 400 CE LYS A 113 33.766 -15.057 -4.944 1.00 0.00 C ATOM 401 NZ LYS A 113 35.208 -15.336 -4.807 1.00 0.00 N ATOM 0 H LYS A 113 32.079 -10.770 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 113 31.738 -11.586 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.385 -10.941 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.175 -10.985 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.522 -13.363 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 113 35.087 -13.144 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.955 -13.080 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 113 32.414 -13.370 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.224 -15.525 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.394 -15.503 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.346 -16.339 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.689 -15.124 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.606 -14.742 -4.052 1.00 0.00 H new ATOM 415 N ARG A 114 32.511 -8.797 -7.207 1.00 0.00 N ATOM 416 CA ARG A 114 32.408 -7.343 -7.184 1.00 0.00 C ATOM 417 C ARG A 114 30.974 -6.919 -7.502 1.00 0.00 C ATOM 418 O ARG A 114 30.722 -6.258 -8.510 1.00 0.00 O ATOM 419 CB ARG A 114 33.392 -6.739 -8.194 1.00 0.00 C ATOM 420 CG ARG A 114 34.811 -7.249 -7.916 1.00 0.00 C ATOM 421 CD ARG A 114 35.838 -6.214 -8.387 1.00 0.00 C ATOM 422 NE ARG A 114 35.596 -5.815 -9.781 1.00 0.00 N ATOM 423 CZ ARG A 114 36.339 -4.893 -10.419 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.390 -4.333 -9.805 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.026 -4.531 -11.669 1.00 0.00 N ATOM 0 H ARG A 114 32.923 -9.167 -8.064 1.00 0.00 H new ATOM 0 HA ARG A 114 32.663 -6.975 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.094 -7.005 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.369 -5.651 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.936 -7.440 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.974 -8.196 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.794 -5.336 -7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.842 -6.627 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 114 34.829 -6.258 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.628 -4.606 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.952 -3.634 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 114 35.225 -4.954 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 114 36.589 -3.832 -12.154 1.00 0.00 H new ATOM 439 N TRP A 115 30.036 -7.304 -6.635 1.00 0.00 N ATOM 440 CA TRP A 115 28.632 -6.983 -6.819 1.00 0.00 C ATOM 441 C TRP A 115 28.403 -5.481 -6.686 1.00 0.00 C ATOM 442 O TRP A 115 27.432 -4.961 -7.220 1.00 0.00 O ATOM 443 CB TRP A 115 27.802 -7.784 -5.817 1.00 0.00 C ATOM 444 CG TRP A 115 27.882 -9.260 -6.046 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.307 -10.179 -5.162 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.566 -10.006 -7.258 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.292 -11.437 -5.718 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.843 -11.389 -7.026 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.081 -9.657 -8.540 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.656 -12.363 -8.010 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.891 -10.636 -9.534 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.186 -11.981 -9.273 1.00 0.00 C ATOM 0 H TRP A 115 30.233 -7.844 -5.792 1.00 0.00 H new ATOM 0 HA TRP A 115 28.316 -7.260 -7.825 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.144 -7.559 -4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.761 -7.467 -5.879 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.618 -9.959 -4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.573 -12.289 -5.233 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.853 -8.624 -8.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.872 -13.400 -7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.515 -10.348 -10.505 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.051 -12.723 -10.046 1.00 0.00 H new ATOM 463 N SER A 116 29.306 -4.779 -5.991 1.00 0.00 N ATOM 464 CA SER A 116 29.215 -3.335 -5.864 1.00 0.00 C ATOM 465 C SER A 116 29.471 -2.702 -7.234 1.00 0.00 C ATOM 466 O SER A 116 28.728 -1.823 -7.664 1.00 0.00 O ATOM 467 CB SER A 116 30.238 -2.846 -4.835 1.00 0.00 C ATOM 468 OG SER A 116 30.134 -1.445 -4.693 1.00 0.00 O ATOM 0 H SER A 116 30.104 -5.195 -5.511 1.00 0.00 H new ATOM 0 HA SER A 116 28.222 -3.046 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.065 -3.333 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.245 -3.116 -5.152 1.00 0.00 H new ATOM 0 HG SER A 116 30.788 -1.134 -4.033 1.00 0.00 H new ATOM 474 N VAL A 117 30.527 -3.164 -7.918 1.00 0.00 N ATOM 475 CA VAL A 117 30.883 -2.661 -9.238 1.00 0.00 C ATOM 476 C VAL A 117 29.759 -2.975 -10.226 1.00 0.00 C ATOM 477 O VAL A 117 29.329 -2.102 -10.976 1.00 0.00 O ATOM 478 CB VAL A 117 32.208 -3.306 -9.681 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.537 -2.903 -11.121 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.339 -2.842 -8.756 1.00 0.00 C ATOM 0 H VAL A 117 31.150 -3.892 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 117 31.015 -1.579 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 117 32.107 -4.390 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.477 -3.366 -11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.739 -3.237 -11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.630 -1.819 -11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.277 -3.299 -9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.429 -1.757 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.116 -3.139 -7.731 1.00 0.00 H new ATOM 490 N ILE A 118 29.284 -4.224 -10.220 1.00 0.00 N ATOM 491 CA ILE A 118 28.215 -4.650 -11.110 1.00 0.00 C ATOM 492 C ILE A 118 26.952 -3.820 -10.839 1.00 0.00 C ATOM 493 O ILE A 118 26.306 -3.356 -11.775 1.00 0.00 O ATOM 494 CB ILE A 118 27.964 -6.155 -10.910 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.172 -6.944 -11.450 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.696 -6.585 -11.661 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.230 -8.331 -10.811 1.00 0.00 C ATOM 0 H ILE A 118 29.630 -4.958 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 118 28.499 -4.486 -12.150 1.00 0.00 H new ATOM 0 HB ILE A 118 27.831 -6.359 -9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.098 -7.038 -12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.093 -6.401 -11.239 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.529 -7.652 -11.512 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.841 -6.027 -11.280 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.817 -6.382 -12.725 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.089 -8.876 -11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.327 -8.230 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.316 -8.877 -11.044 1.00 0.00 H new ATOM 509 N ALA A 119 26.606 -3.630 -9.559 1.00 0.00 N ATOM 510 CA ALA A 119 25.426 -2.860 -9.179 1.00 0.00 C ATOM 511 C ALA A 119 25.554 -1.411 -9.656 1.00 0.00 C ATOM 512 O ALA A 119 24.582 -0.834 -10.137 1.00 0.00 O ATOM 513 CB ALA A 119 25.252 -2.909 -7.661 1.00 0.00 C ATOM 0 H ALA A 119 27.133 -4.003 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 119 24.548 -3.297 -9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.371 -2.334 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.128 -3.944 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.133 -2.484 -7.180 1.00 0.00 H new ATOM 519 N LYS A 120 26.753 -0.824 -9.524 1.00 0.00 N ATOM 520 CA LYS A 120 26.992 0.554 -9.947 1.00 0.00 C ATOM 521 C LYS A 120 26.681 0.718 -11.438 1.00 0.00 C ATOM 522 O LYS A 120 26.307 1.807 -11.873 1.00 0.00 O ATOM 523 CB LYS A 120 28.444 0.941 -9.647 1.00 0.00 C ATOM 524 CG LYS A 120 28.578 1.310 -8.164 1.00 0.00 C ATOM 525 CD LYS A 120 30.055 1.329 -7.752 1.00 0.00 C ATOM 526 CE LYS A 120 30.807 2.411 -8.536 1.00 0.00 C ATOM 527 NZ LYS A 120 32.176 2.583 -8.017 1.00 0.00 N ATOM 0 H LYS A 120 27.570 -1.287 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 120 26.330 1.218 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.110 0.112 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.744 1.783 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.130 2.287 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.032 0.592 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.140 1.519 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.505 0.354 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.845 2.140 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.267 3.356 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.664 3.321 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.135 2.864 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.695 1.686 -8.104 1.00 0.00 H new ATOM 541 N HIS A 121 26.828 -0.361 -12.217 1.00 0.00 N ATOM 542 CA HIS A 121 26.538 -0.328 -13.639 1.00 0.00 C ATOM 543 C HIS A 121 25.048 -0.566 -13.840 1.00 0.00 C ATOM 544 O HIS A 121 24.408 0.125 -14.633 1.00 0.00 O ATOM 545 CB HIS A 121 27.375 -1.389 -14.356 1.00 0.00 C ATOM 546 CG HIS A 121 28.850 -1.232 -14.087 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.434 -0.006 -13.786 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.885 -2.129 -14.059 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.748 -0.235 -13.603 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.092 -1.515 -13.757 1.00 0.00 N ATOM 0 H HIS A 121 27.148 -1.267 -11.876 1.00 0.00 H new ATOM 0 HA HIS A 121 26.796 0.643 -14.061 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.053 -2.380 -14.036 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.195 -1.326 -15.429 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.958 0.894 -13.717 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.775 -3.186 -14.249 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.456 0.542 -13.355 1.00 0.00 H new ATOM 558 N LEU A 122 24.494 -1.540 -13.106 1.00 0.00 N ATOM 559 CA LEU A 122 23.074 -1.838 -13.165 1.00 0.00 C ATOM 560 C LEU A 122 22.329 -0.835 -12.280 1.00 0.00 C ATOM 561 O LEU A 122 21.784 -1.200 -11.237 1.00 0.00 O ATOM 562 CB LEU A 122 22.821 -3.287 -12.698 1.00 0.00 C ATOM 563 CG LEU A 122 22.918 -4.285 -13.870 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.825 -3.998 -14.904 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.293 -4.209 -14.540 1.00 0.00 C ATOM 0 H LEU A 122 25.019 -2.133 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 122 22.710 -1.751 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.547 -3.555 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.834 -3.356 -12.241 1.00 0.00 H new ATOM 0 HG LEU A 122 22.780 -5.289 -13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.905 -4.710 -15.726 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.846 -4.094 -14.435 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.945 -2.985 -15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.337 -4.922 -15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.456 -3.202 -14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.067 -4.449 -13.811 1.00 0.00 H new ATOM 577 N LYS A 123 22.317 0.436 -12.706 1.00 0.00 N ATOM 578 CA LYS A 123 21.662 1.504 -11.966 1.00 0.00 C ATOM 579 C LYS A 123 20.202 1.136 -11.713 1.00 0.00 C ATOM 580 O LYS A 123 19.399 1.089 -12.644 1.00 0.00 O ATOM 581 CB LYS A 123 21.770 2.811 -12.757 1.00 0.00 C ATOM 582 CG LYS A 123 23.237 3.246 -12.840 1.00 0.00 C ATOM 583 CD LYS A 123 23.339 4.569 -13.600 1.00 0.00 C ATOM 584 CE LYS A 123 24.808 4.989 -13.700 1.00 0.00 C ATOM 585 NZ LYS A 123 24.947 6.262 -14.430 1.00 0.00 N ATOM 0 H LYS A 123 22.762 0.744 -13.571 1.00 0.00 H new ATOM 0 HA LYS A 123 22.151 1.641 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.364 2.675 -13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.177 3.589 -12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.651 3.358 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.826 2.480 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.912 4.462 -14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.763 5.340 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.229 5.092 -12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.378 4.211 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.952 6.524 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.566 6.154 -15.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.421 7.008 -13.931 1.00 0.00 H new ATOM 599 N GLY A 124 19.873 0.868 -10.444 1.00 0.00 N ATOM 600 CA GLY A 124 18.533 0.469 -10.044 1.00 0.00 C ATOM 601 C GLY A 124 18.626 -0.691 -9.058 1.00 0.00 C ATOM 602 O GLY A 124 17.815 -0.796 -8.140 1.00 0.00 O ATOM 0 H GLY A 124 20.535 0.924 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.012 1.310 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.953 0.173 -10.918 1.00 0.00 H new ATOM 606 N ARG A 125 19.628 -1.560 -9.255 1.00 0.00 N ATOM 607 CA ARG A 125 19.856 -2.705 -8.388 1.00 0.00 C ATOM 608 C ARG A 125 20.928 -2.349 -7.356 1.00 0.00 C ATOM 609 O ARG A 125 21.531 -1.278 -7.430 1.00 0.00 O ATOM 610 CB ARG A 125 20.299 -3.903 -9.241 1.00 0.00 C ATOM 611 CG ARG A 125 19.167 -4.327 -10.188 1.00 0.00 C ATOM 612 CD ARG A 125 18.227 -5.310 -9.475 1.00 0.00 C ATOM 613 NE ARG A 125 16.910 -5.365 -10.129 1.00 0.00 N ATOM 614 CZ ARG A 125 16.729 -5.796 -11.390 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.745 -6.329 -12.073 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.529 -5.692 -11.972 1.00 0.00 N ATOM 0 H ARG A 125 20.297 -1.481 -10.021 1.00 0.00 H new ATOM 0 HA ARG A 125 18.939 -2.970 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.186 -3.640 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.574 -4.737 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.609 -3.450 -10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.584 -4.792 -11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.674 -6.304 -9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.106 -5.010 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 125 16.093 -5.061 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.664 -6.411 -11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.602 -6.654 -13.029 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.747 -5.285 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.396 -6.020 -12.929 1.00 0.00 H new ATOM 630 N ILE A 126 21.161 -3.253 -6.396 1.00 0.00 N ATOM 631 CA ILE A 126 22.163 -3.047 -5.351 1.00 0.00 C ATOM 632 C ILE A 126 23.004 -4.316 -5.186 1.00 0.00 C ATOM 633 O ILE A 126 22.798 -5.300 -5.904 1.00 0.00 O ATOM 634 CB ILE A 126 21.495 -2.625 -4.015 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.838 -3.821 -3.280 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.459 -1.517 -4.264 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.834 -4.566 -4.167 1.00 0.00 C ATOM 0 H ILE A 126 20.663 -4.140 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 126 22.824 -2.233 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 126 22.284 -2.244 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 126 21.613 -4.513 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.332 -3.461 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.998 -1.231 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.952 -0.650 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.691 -1.883 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.400 -5.395 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 126 19.043 -3.882 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.344 -4.951 -5.050 1.00 0.00 H new ATOM 649 N GLY A 127 23.956 -4.288 -4.240 1.00 0.00 N ATOM 650 CA GLY A 127 24.842 -5.417 -3.986 1.00 0.00 C ATOM 651 C GLY A 127 24.115 -6.509 -3.202 1.00 0.00 C ATOM 652 O GLY A 127 24.480 -6.810 -2.068 1.00 0.00 O ATOM 0 H GLY A 127 24.127 -3.483 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.204 -5.821 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.716 -5.081 -3.427 1.00 0.00 H new ATOM 656 N LYS A 128 23.089 -7.101 -3.819 1.00 0.00 N ATOM 657 CA LYS A 128 22.308 -8.167 -3.210 1.00 0.00 C ATOM 658 C LYS A 128 21.486 -8.847 -4.299 1.00 0.00 C ATOM 659 O LYS A 128 21.587 -10.055 -4.493 1.00 0.00 O ATOM 660 CB LYS A 128 21.403 -7.587 -2.114 1.00 0.00 C ATOM 661 CG LYS A 128 20.466 -8.678 -1.589 1.00 0.00 C ATOM 662 CD LYS A 128 19.722 -8.173 -0.353 1.00 0.00 C ATOM 663 CE LYS A 128 18.737 -9.246 0.119 1.00 0.00 C ATOM 664 NZ LYS A 128 17.982 -8.791 1.300 1.00 0.00 N ATOM 0 H LYS A 128 22.780 -6.850 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 128 22.964 -8.903 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.010 -7.192 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.822 -6.755 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.753 -8.961 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.038 -9.572 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.431 -7.939 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.189 -7.251 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.045 -9.489 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.279 -10.161 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.322 -9.537 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.643 -8.583 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.447 -7.932 1.060 1.00 0.00 H new ATOM 678 N GLN A 129 20.680 -8.056 -5.015 1.00 0.00 N ATOM 679 CA GLN A 129 19.863 -8.558 -6.109 1.00 0.00 C ATOM 680 C GLN A 129 20.744 -9.312 -7.097 1.00 0.00 C ATOM 681 O GLN A 129 20.458 -10.455 -7.447 1.00 0.00 O ATOM 682 CB GLN A 129 19.186 -7.376 -6.811 1.00 0.00 C ATOM 683 CG GLN A 129 18.014 -6.855 -5.976 1.00 0.00 C ATOM 684 CD GLN A 129 16.690 -7.286 -6.591 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.931 -6.455 -7.083 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.420 -8.588 -6.570 1.00 0.00 N ATOM 0 H GLN A 129 20.580 -7.055 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 129 19.102 -9.236 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.910 -6.577 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.831 -7.685 -7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.089 -7.234 -4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.057 -5.768 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.083 -9.240 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.550 -8.935 -6.974 1.00 0.00 H new ATOM 695 N CYS A 130 21.817 -8.653 -7.542 1.00 0.00 N ATOM 696 CA CYS A 130 22.758 -9.232 -8.494 1.00 0.00 C ATOM 697 C CYS A 130 23.333 -10.536 -7.942 1.00 0.00 C ATOM 698 O CYS A 130 23.501 -11.504 -8.682 1.00 0.00 O ATOM 699 CB CYS A 130 23.882 -8.230 -8.780 1.00 0.00 C ATOM 700 SG CYS A 130 23.181 -6.731 -9.517 1.00 0.00 S ATOM 0 H CYS A 130 22.054 -7.705 -7.251 1.00 0.00 H new ATOM 0 HA CYS A 130 22.236 -9.454 -9.425 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.407 -7.983 -7.857 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.615 -8.672 -9.455 1.00 0.00 H new ATOM 0 HG CYS A 130 24.133 -5.880 -9.758 1.00 0.00 H new ATOM 706 N ARG A 131 23.635 -10.561 -6.637 1.00 0.00 N ATOM 707 CA ARG A 131 24.189 -11.743 -5.999 1.00 0.00 C ATOM 708 C ARG A 131 23.188 -12.895 -6.100 1.00 0.00 C ATOM 709 O ARG A 131 23.503 -13.927 -6.679 1.00 0.00 O ATOM 710 CB ARG A 131 24.541 -11.415 -4.539 1.00 0.00 C ATOM 711 CG ARG A 131 25.471 -12.493 -3.949 1.00 0.00 C ATOM 712 CD ARG A 131 24.659 -13.656 -3.358 1.00 0.00 C ATOM 713 NE ARG A 131 23.682 -13.178 -2.370 1.00 0.00 N ATOM 714 CZ ARG A 131 23.996 -12.869 -1.102 1.00 0.00 C ATOM 715 NH1 ARG A 131 25.250 -13.021 -0.651 1.00 0.00 N ATOM 716 NH2 ARG A 131 23.045 -12.403 -0.287 1.00 0.00 N ATOM 0 H ARG A 131 23.501 -9.769 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 131 25.104 -12.053 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.026 -10.440 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.629 -11.349 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.138 -12.868 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.099 -12.053 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.141 -14.184 -4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.334 -14.372 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 131 22.711 -13.075 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 131 25.977 -13.375 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 131 25.477 -12.783 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 131 22.092 -12.285 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 131 23.272 -12.165 0.678 1.00 0.00 H new ATOM 730 N GLU A 132 21.980 -12.722 -5.540 1.00 0.00 N ATOM 731 CA GLU A 132 20.953 -13.761 -5.584 1.00 0.00 C ATOM 732 C GLU A 132 20.711 -14.207 -7.023 1.00 0.00 C ATOM 733 O GLU A 132 20.589 -15.401 -7.281 1.00 0.00 O ATOM 734 CB GLU A 132 19.647 -13.239 -4.960 1.00 0.00 C ATOM 735 CG GLU A 132 19.640 -13.477 -3.441 1.00 0.00 C ATOM 736 CD GLU A 132 20.023 -12.217 -2.678 1.00 0.00 C ATOM 737 OE1 GLU A 132 19.158 -11.321 -2.590 1.00 0.00 O ATOM 738 OE2 GLU A 132 21.174 -12.174 -2.193 1.00 0.00 O ATOM 0 H GLU A 132 21.696 -11.872 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 132 21.298 -14.620 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.539 -12.174 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.794 -13.741 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.649 -13.807 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.336 -14.279 -3.194 1.00 0.00 H new ATOM 745 N ARG A 133 20.646 -13.262 -7.964 1.00 0.00 N ATOM 746 CA ARG A 133 20.431 -13.600 -9.362 1.00 0.00 C ATOM 747 C ARG A 133 21.498 -14.599 -9.815 1.00 0.00 C ATOM 748 O ARG A 133 21.208 -15.504 -10.598 1.00 0.00 O ATOM 749 CB ARG A 133 20.471 -12.323 -10.217 1.00 0.00 C ATOM 750 CG ARG A 133 20.003 -12.612 -11.655 1.00 0.00 C ATOM 751 CD ARG A 133 18.526 -13.023 -11.662 1.00 0.00 C ATOM 752 NE ARG A 133 17.986 -13.036 -13.028 1.00 0.00 N ATOM 753 CZ ARG A 133 16.754 -13.491 -13.326 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.043 -14.157 -12.411 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.239 -13.279 -14.540 1.00 0.00 N ATOM 0 H ARG A 133 20.739 -12.263 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 133 19.451 -14.061 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.834 -11.560 -9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.485 -11.923 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.144 -11.727 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.610 -13.406 -12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.419 -14.012 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.950 -12.332 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 133 18.571 -12.684 -13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.433 -14.322 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.110 -14.500 -12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.779 -12.772 -15.242 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.306 -13.624 -14.765 1.00 0.00 H new ATOM 769 N TRP A 134 22.733 -14.431 -9.312 1.00 0.00 N ATOM 770 CA TRP A 134 23.840 -15.301 -9.670 1.00 0.00 C ATOM 771 C TRP A 134 24.073 -16.388 -8.615 1.00 0.00 C ATOM 772 O TRP A 134 25.134 -17.000 -8.594 1.00 0.00 O ATOM 773 CB TRP A 134 25.103 -14.463 -9.850 1.00 0.00 C ATOM 774 CG TRP A 134 26.082 -15.086 -10.780 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.068 -15.931 -10.439 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.159 -14.962 -12.224 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.740 -16.371 -11.547 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.215 -15.804 -12.693 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.436 -14.234 -13.197 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.522 -15.927 -14.046 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.754 -14.341 -14.557 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.792 -15.184 -14.985 1.00 0.00 C ATOM 0 H TRP A 134 22.979 -13.692 -8.653 1.00 0.00 H new ATOM 0 HA TRP A 134 23.591 -15.803 -10.605 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.829 -13.477 -10.226 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.576 -14.314 -8.879 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.300 -16.224 -9.426 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.521 -17.027 -11.530 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.628 -13.587 -12.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.313 -16.587 -14.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.195 -13.769 -15.283 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.028 -15.260 -16.036 1.00 0.00 H new ATOM 793 N HIS A 135 23.093 -16.640 -7.746 1.00 0.00 N ATOM 794 CA HIS A 135 23.216 -17.678 -6.730 1.00 0.00 C ATOM 795 C HIS A 135 21.873 -18.384 -6.566 1.00 0.00 C ATOM 796 O HIS A 135 21.477 -18.755 -5.463 1.00 0.00 O ATOM 797 CB HIS A 135 23.732 -17.066 -5.423 1.00 0.00 C ATOM 798 CG HIS A 135 25.228 -16.852 -5.462 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.135 -17.851 -5.123 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.010 -15.778 -5.817 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.369 -17.330 -5.287 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.361 -16.066 -5.709 1.00 0.00 N ATOM 0 H HIS A 135 22.206 -16.137 -7.728 1.00 0.00 H new ATOM 0 HA HIS A 135 23.944 -18.430 -7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.232 -16.114 -5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.479 -17.721 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.618 -14.825 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.276 -17.884 -5.095 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.156 -15.458 -5.905 1.00 0.00 H new ATOM 810 N ASN A 136 21.191 -18.575 -7.699 1.00 0.00 N ATOM 811 CA ASN A 136 19.918 -19.282 -7.764 1.00 0.00 C ATOM 812 C ASN A 136 19.863 -20.027 -9.082 1.00 0.00 C ATOM 813 O ASN A 136 19.932 -21.253 -9.116 1.00 0.00 O ATOM 814 CB ASN A 136 18.751 -18.292 -7.685 1.00 0.00 C ATOM 815 CG ASN A 136 18.379 -17.996 -6.246 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.490 -18.631 -5.687 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.055 -17.030 -5.651 1.00 0.00 N ATOM 0 H ASN A 136 21.515 -18.237 -8.605 1.00 0.00 H new ATOM 0 HA ASN A 136 19.836 -19.974 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.022 -17.365 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.888 -18.701 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.847 -16.783 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.786 -16.531 -6.159 1.00 0.00 H new ATOM 824 N HIS A 137 19.739 -19.261 -10.166 1.00 0.00 N ATOM 825 CA HIS A 137 19.671 -19.816 -11.517 1.00 0.00 C ATOM 826 C HIS A 137 21.036 -19.686 -12.203 1.00 0.00 C ATOM 827 O HIS A 137 21.651 -20.695 -12.546 1.00 0.00 O ATOM 828 CB HIS A 137 18.567 -19.114 -12.332 1.00 0.00 C ATOM 829 CG HIS A 137 17.824 -18.059 -11.551 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.665 -18.332 -10.832 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.053 -16.723 -11.356 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.278 -17.172 -10.265 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.084 -16.147 -10.545 1.00 0.00 N ATOM 0 H HIS A 137 19.683 -18.243 -10.133 1.00 0.00 H new ATOM 0 HA HIS A 137 19.417 -20.874 -11.457 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.013 -18.655 -13.214 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.857 -19.861 -12.686 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.198 -19.235 -10.750 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.886 -16.183 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.399 -17.081 -9.644 1.00 0.00 H new ATOM 841 N LEU A 138 21.514 -18.447 -12.403 1.00 0.00 N ATOM 842 CA LEU A 138 22.805 -18.218 -13.044 1.00 0.00 C ATOM 843 C LEU A 138 23.922 -18.585 -12.069 1.00 0.00 C ATOM 844 O LEU A 138 23.723 -18.543 -10.853 1.00 0.00 O ATOM 845 CB LEU A 138 22.930 -16.751 -13.481 1.00 0.00 C ATOM 846 CG LEU A 138 22.066 -16.483 -14.727 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.663 -16.034 -14.312 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.711 -15.381 -15.565 1.00 0.00 C ATOM 0 H LEU A 138 21.023 -17.596 -12.129 1.00 0.00 H new ATOM 0 HA LEU A 138 22.886 -18.844 -13.933 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.619 -16.096 -12.668 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.973 -16.518 -13.697 1.00 0.00 H new ATOM 0 HG LEU A 138 21.993 -17.402 -15.308 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.062 -15.848 -15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 138 20.193 -16.815 -13.714 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.733 -15.119 -13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 138 22.100 -15.190 -16.447 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.786 -14.470 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.708 -15.696 -15.875 1.00 0.00 H new