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 110 TYR OH : rot -130:sc= 1.09 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.723 K(o=1.8,f=-2.9) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 97 LYS NZ :NH3+ -141:sc= -0.0332 (180deg=-0.269) USER MOD Single : A 101 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.2) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc=-0.00199 (180deg=-0.137) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.0107 (180deg=-0.163) USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.948) USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= -0.0711 (180deg=-0.191) USER MOD Single : A 129 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.3!) USER MOD Single : A 130 CYS SG : rot 80:sc= 0.0987 USER MOD Single : A 135 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.3) USER MOD Single : A 136 ASN : amide:sc= 1.14 K(o=1.1,f=-0.025) USER MOD Single : A 137 HIS : no HD1:sc=-0.00425 X(o=-0.0042,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.312 -9.708 -13.281 1.00 0.00 N ATOM 85 CA TRP A 95 14.401 -9.252 -14.149 1.00 0.00 C ATOM 86 C TRP A 95 14.010 -9.375 -15.629 1.00 0.00 C ATOM 87 O TRP A 95 12.882 -9.748 -15.954 1.00 0.00 O ATOM 88 CB TRP A 95 15.675 -10.056 -13.842 1.00 0.00 C ATOM 89 CG TRP A 95 16.436 -9.591 -12.642 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.027 -9.667 -11.363 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.758 -8.986 -12.589 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.980 -9.157 -10.511 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.083 -8.714 -11.222 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.723 -8.641 -13.556 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.295 -8.129 -10.844 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.941 -8.049 -13.183 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.228 -7.790 -11.833 1.00 0.00 C ATOM 0 HA TRP A 95 14.596 -8.198 -13.951 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.402 -11.102 -13.699 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.332 -10.014 -14.710 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.078 -10.074 -11.047 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.887 -9.112 -9.496 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.523 -8.835 -14.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.510 -7.941 -9.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.664 -7.790 -13.942 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.166 -7.331 -11.558 1.00 0.00 H new ATOM 108 N THR A 96 14.956 -9.048 -16.524 1.00 0.00 N ATOM 109 CA THR A 96 14.739 -9.119 -17.963 1.00 0.00 C ATOM 110 C THR A 96 15.938 -9.805 -18.616 1.00 0.00 C ATOM 111 O THR A 96 17.012 -9.874 -18.023 1.00 0.00 O ATOM 112 CB THR A 96 14.547 -7.705 -18.534 1.00 0.00 C ATOM 113 OG1 THR A 96 15.784 -7.035 -18.561 1.00 0.00 O ATOM 114 CG2 THR A 96 13.566 -6.911 -17.667 1.00 0.00 C ATOM 0 H THR A 96 15.889 -8.728 -16.263 1.00 0.00 H new ATOM 0 HA THR A 96 13.839 -9.697 -18.173 1.00 0.00 H new ATOM 0 HB THR A 96 14.147 -7.787 -19.545 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.660 -6.134 -18.927 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.439 -5.911 -18.083 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.603 -7.421 -17.648 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.957 -6.835 -16.652 1.00 0.00 H new ATOM 122 N LYS A 97 15.750 -10.313 -19.840 1.00 0.00 N ATOM 123 CA LYS A 97 16.806 -11.009 -20.564 1.00 0.00 C ATOM 124 C LYS A 97 18.007 -10.084 -20.788 1.00 0.00 C ATOM 125 O LYS A 97 19.147 -10.501 -20.607 1.00 0.00 O ATOM 126 CB LYS A 97 16.249 -11.514 -21.900 1.00 0.00 C ATOM 127 CG LYS A 97 17.268 -12.448 -22.569 1.00 0.00 C ATOM 128 CD LYS A 97 16.806 -12.814 -23.990 1.00 0.00 C ATOM 129 CE LYS A 97 15.455 -13.547 -23.961 1.00 0.00 C ATOM 130 NZ LYS A 97 15.498 -14.729 -23.079 1.00 0.00 N ATOM 0 H LYS A 97 14.868 -10.251 -20.348 1.00 0.00 H new ATOM 0 HA LYS A 97 17.150 -11.859 -19.975 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.310 -12.043 -21.736 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.030 -10.671 -22.555 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.243 -11.963 -22.610 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.387 -13.353 -21.974 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.720 -11.909 -24.592 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.555 -13.445 -24.468 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.677 -12.865 -23.618 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.186 -13.856 -24.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.959 -15.505 -23.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.486 -15.026 -22.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.080 -14.490 -22.157 1.00 0.00 H new ATOM 144 N GLU A 98 17.748 -8.834 -21.187 1.00 0.00 N ATOM 145 CA GLU A 98 18.809 -7.870 -21.448 1.00 0.00 C ATOM 146 C GLU A 98 19.608 -7.611 -20.170 1.00 0.00 C ATOM 147 O GLU A 98 20.835 -7.680 -20.176 1.00 0.00 O ATOM 148 CB GLU A 98 18.191 -6.573 -21.978 1.00 0.00 C ATOM 149 CG GLU A 98 19.299 -5.620 -22.438 1.00 0.00 C ATOM 150 CD GLU A 98 18.719 -4.301 -22.933 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.582 -4.336 -23.452 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.426 -3.281 -22.784 1.00 0.00 O ATOM 0 H GLU A 98 16.807 -8.470 -21.335 1.00 0.00 H new ATOM 0 HA GLU A 98 19.492 -8.268 -22.198 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.519 -6.792 -22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.592 -6.100 -21.200 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.986 -5.432 -21.613 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.878 -6.088 -23.234 1.00 0.00 H new ATOM 159 N GLU A 99 18.906 -7.311 -19.076 1.00 0.00 N ATOM 160 CA GLU A 99 19.541 -7.034 -17.797 1.00 0.00 C ATOM 161 C GLU A 99 20.353 -8.252 -17.340 1.00 0.00 C ATOM 162 O GLU A 99 21.466 -8.100 -16.843 1.00 0.00 O ATOM 163 CB GLU A 99 18.455 -6.661 -16.791 1.00 0.00 C ATOM 164 CG GLU A 99 19.033 -5.783 -15.685 1.00 0.00 C ATOM 165 CD GLU A 99 17.976 -5.491 -14.628 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.816 -5.920 -14.843 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.341 -4.844 -13.623 1.00 0.00 O ATOM 0 H GLU A 99 17.888 -7.255 -19.056 1.00 0.00 H new ATOM 0 HA GLU A 99 20.238 -6.200 -17.884 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.647 -6.134 -17.298 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.025 -7.565 -16.359 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.887 -6.281 -15.226 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.400 -4.848 -16.109 1.00 0.00 H new ATOM 174 N ASP A 100 19.807 -9.461 -17.522 1.00 0.00 N ATOM 175 CA ASP A 100 20.518 -10.684 -17.165 1.00 0.00 C ATOM 176 C ASP A 100 21.786 -10.799 -18.012 1.00 0.00 C ATOM 177 O ASP A 100 22.850 -11.138 -17.498 1.00 0.00 O ATOM 178 CB ASP A 100 19.609 -11.903 -17.385 1.00 0.00 C ATOM 179 CG ASP A 100 18.896 -12.307 -16.107 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.589 -12.431 -15.076 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.665 -12.493 -16.183 1.00 0.00 O ATOM 0 H ASP A 100 18.878 -9.613 -17.914 1.00 0.00 H new ATOM 0 HA ASP A 100 20.797 -10.650 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.873 -11.674 -18.156 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.204 -12.740 -17.750 1.00 0.00 H new ATOM 186 N GLN A 101 21.673 -10.510 -19.315 1.00 0.00 N ATOM 187 CA GLN A 101 22.811 -10.567 -20.218 1.00 0.00 C ATOM 188 C GLN A 101 23.884 -9.584 -19.751 1.00 0.00 C ATOM 189 O GLN A 101 25.075 -9.890 -19.809 1.00 0.00 O ATOM 190 CB GLN A 101 22.349 -10.245 -21.647 1.00 0.00 C ATOM 191 CG GLN A 101 23.484 -10.513 -22.645 1.00 0.00 C ATOM 192 CD GLN A 101 23.887 -11.984 -22.645 1.00 0.00 C ATOM 193 OE1 GLN A 101 25.000 -12.325 -22.257 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.979 -12.856 -23.081 1.00 0.00 N ATOM 0 H GLN A 101 20.798 -10.234 -19.761 1.00 0.00 H new ATOM 0 HA GLN A 101 23.240 -11.569 -20.214 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.480 -10.852 -21.902 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.038 -9.202 -21.710 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.167 -10.221 -23.646 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.347 -9.897 -22.391 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.066 -12.527 -23.394 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.197 -13.852 -23.101 1.00 0.00 H new ATOM 203 N ARG A 102 23.465 -8.401 -19.282 1.00 0.00 N ATOM 204 CA ARG A 102 24.399 -7.406 -18.788 1.00 0.00 C ATOM 205 C ARG A 102 25.168 -7.982 -17.598 1.00 0.00 C ATOM 206 O ARG A 102 26.383 -7.836 -17.527 1.00 0.00 O ATOM 207 CB ARG A 102 23.654 -6.127 -18.383 1.00 0.00 C ATOM 208 CG ARG A 102 23.030 -5.448 -19.615 1.00 0.00 C ATOM 209 CD ARG A 102 23.889 -4.260 -20.076 1.00 0.00 C ATOM 210 NE ARG A 102 24.927 -4.690 -21.030 1.00 0.00 N ATOM 211 CZ ARG A 102 26.197 -4.987 -20.686 1.00 0.00 C ATOM 212 NH1 ARG A 102 26.607 -4.912 -19.414 1.00 0.00 N ATOM 213 NH2 ARG A 102 27.064 -5.367 -21.627 1.00 0.00 N ATOM 0 H ARG A 102 22.486 -8.119 -19.238 1.00 0.00 H new ATOM 0 HA ARG A 102 25.104 -7.148 -19.578 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.874 -6.368 -17.660 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.342 -5.439 -17.892 1.00 0.00 H new ATOM 0 HG2 ARG A 102 22.936 -6.171 -20.426 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.024 -5.104 -19.376 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.253 -3.507 -20.542 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.358 -3.790 -19.212 1.00 0.00 H new ATOM 0 HE ARG A 102 24.668 -4.768 -22.014 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.955 -4.626 -18.684 1.00 0.00 H new ATOM 0 HH12 ARG A 102 27.572 -5.141 -19.175 1.00 0.00 H new ATOM 0 HH21 ARG A 102 26.765 -5.431 -22.600 1.00 0.00 H new ATOM 0 HH22 ARG A 102 28.026 -5.593 -21.373 1.00 0.00 H new ATOM 227 N VAL A 103 24.460 -8.644 -16.664 1.00 0.00 N ATOM 228 CA VAL A 103 25.105 -9.246 -15.500 1.00 0.00 C ATOM 229 C VAL A 103 26.177 -10.228 -15.966 1.00 0.00 C ATOM 230 O VAL A 103 27.304 -10.171 -15.490 1.00 0.00 O ATOM 231 CB VAL A 103 24.068 -9.960 -14.614 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.783 -10.705 -13.482 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.111 -8.942 -13.999 1.00 0.00 C ATOM 0 H VAL A 103 23.449 -8.771 -16.699 1.00 0.00 H new ATOM 0 HA VAL A 103 25.572 -8.461 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 103 23.508 -10.663 -15.231 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.047 -11.209 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.465 -11.442 -13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.347 -9.994 -12.878 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.382 -9.459 -13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.674 -8.235 -13.390 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.592 -8.404 -14.793 1.00 0.00 H new ATOM 243 N ILE A 104 25.823 -11.127 -16.900 1.00 0.00 N ATOM 244 CA ILE A 104 26.765 -12.111 -17.427 1.00 0.00 C ATOM 245 C ILE A 104 28.018 -11.402 -17.949 1.00 0.00 C ATOM 246 O ILE A 104 29.132 -11.745 -17.560 1.00 0.00 O ATOM 247 CB ILE A 104 26.095 -12.918 -18.558 1.00 0.00 C ATOM 248 CG1 ILE A 104 25.000 -13.830 -17.987 1.00 0.00 C ATOM 249 CG2 ILE A 104 27.150 -13.772 -19.280 1.00 0.00 C ATOM 250 CD1 ILE A 104 24.205 -14.471 -19.130 1.00 0.00 C ATOM 0 H ILE A 104 24.888 -11.187 -17.302 1.00 0.00 H new ATOM 0 HA ILE A 104 27.056 -12.796 -16.631 1.00 0.00 H new ATOM 0 HB ILE A 104 25.642 -12.222 -19.264 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.448 -14.605 -17.365 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.332 -13.254 -17.347 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.673 -14.341 -20.078 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.916 -13.122 -19.704 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.610 -14.459 -18.570 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.430 -15.117 -18.717 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.743 -13.690 -19.734 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.876 -15.063 -19.753 1.00 0.00 H new ATOM 262 N GLU A 105 27.824 -10.419 -18.837 1.00 0.00 N ATOM 263 CA GLU A 105 28.924 -9.682 -19.447 1.00 0.00 C ATOM 264 C GLU A 105 29.827 -9.066 -18.373 1.00 0.00 C ATOM 265 O GLU A 105 31.045 -9.228 -18.419 1.00 0.00 O ATOM 266 CB GLU A 105 28.339 -8.601 -20.369 1.00 0.00 C ATOM 267 CG GLU A 105 29.460 -7.896 -21.154 1.00 0.00 C ATOM 268 CD GLU A 105 29.956 -6.637 -20.443 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.097 -5.915 -19.887 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.183 -6.412 -20.477 1.00 0.00 O ATOM 0 H GLU A 105 26.901 -10.117 -19.148 1.00 0.00 H new ATOM 0 HA GLU A 105 29.542 -10.361 -20.035 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.629 -9.052 -21.063 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.787 -7.871 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.293 -8.585 -21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.096 -7.631 -22.147 1.00 0.00 H new ATOM 277 N LEU A 106 29.230 -8.356 -17.411 1.00 0.00 N ATOM 278 CA LEU A 106 29.986 -7.698 -16.354 1.00 0.00 C ATOM 279 C LEU A 106 30.737 -8.731 -15.507 1.00 0.00 C ATOM 280 O LEU A 106 31.913 -8.544 -15.214 1.00 0.00 O ATOM 281 CB LEU A 106 29.034 -6.867 -15.484 1.00 0.00 C ATOM 282 CG LEU A 106 28.422 -5.717 -16.304 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.305 -5.057 -15.492 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.493 -4.674 -16.634 1.00 0.00 C ATOM 0 H LEU A 106 28.220 -8.225 -17.347 1.00 0.00 H new ATOM 0 HA LEU A 106 30.725 -7.034 -16.802 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.241 -7.504 -15.091 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.573 -6.464 -14.627 1.00 0.00 H new ATOM 0 HG LEU A 106 28.019 -6.118 -17.234 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.869 -4.242 -16.069 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.535 -5.795 -15.266 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.715 -4.664 -14.562 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.047 -3.866 -17.214 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.906 -4.272 -15.709 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.289 -5.141 -17.214 1.00 0.00 H new ATOM 296 N VAL A 107 30.061 -9.817 -15.114 1.00 0.00 N ATOM 297 CA VAL A 107 30.677 -10.860 -14.299 1.00 0.00 C ATOM 298 C VAL A 107 31.821 -11.525 -15.065 1.00 0.00 C ATOM 299 O VAL A 107 32.807 -11.917 -14.466 1.00 0.00 O ATOM 300 CB VAL A 107 29.609 -11.888 -13.876 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.250 -13.252 -13.599 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.921 -11.400 -12.600 1.00 0.00 C ATOM 0 H VAL A 107 29.084 -9.993 -15.350 1.00 0.00 H new ATOM 0 HA VAL A 107 31.098 -10.415 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 107 28.886 -11.993 -14.685 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.479 -13.963 -13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.746 -13.611 -14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.982 -13.154 -12.797 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.164 -12.123 -12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.660 -11.292 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.447 -10.436 -12.788 1.00 0.00 H new ATOM 312 N GLN A 108 31.699 -11.650 -16.385 1.00 0.00 N ATOM 313 CA GLN A 108 32.743 -12.270 -17.188 1.00 0.00 C ATOM 314 C GLN A 108 33.972 -11.353 -17.225 1.00 0.00 C ATOM 315 O GLN A 108 35.082 -11.806 -17.497 1.00 0.00 O ATOM 316 CB GLN A 108 32.203 -12.537 -18.598 1.00 0.00 C ATOM 317 CG GLN A 108 33.167 -13.447 -19.366 1.00 0.00 C ATOM 318 CD GLN A 108 32.552 -13.899 -20.686 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.785 -13.286 -21.723 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.766 -14.976 -20.647 1.00 0.00 N ATOM 0 H GLN A 108 30.889 -11.330 -16.917 1.00 0.00 H new ATOM 0 HA GLN A 108 33.043 -13.221 -16.749 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.220 -13.004 -18.537 1.00 0.00 H new ATOM 0 HB3 GLN A 108 32.076 -11.595 -19.132 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.100 -12.917 -19.557 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.414 -14.317 -18.758 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.600 -15.455 -19.762 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.331 -15.321 -21.503 1.00 0.00 H new ATOM 329 N LYS A 109 33.759 -10.060 -16.947 1.00 0.00 N ATOM 330 CA LYS A 109 34.815 -9.065 -16.959 1.00 0.00 C ATOM 331 C LYS A 109 35.459 -8.947 -15.572 1.00 0.00 C ATOM 332 O LYS A 109 36.649 -9.210 -15.412 1.00 0.00 O ATOM 333 CB LYS A 109 34.200 -7.725 -17.385 1.00 0.00 C ATOM 334 CG LYS A 109 34.865 -7.224 -18.666 1.00 0.00 C ATOM 335 CD LYS A 109 34.141 -5.962 -19.143 1.00 0.00 C ATOM 336 CE LYS A 109 34.340 -5.779 -20.650 1.00 0.00 C ATOM 337 NZ LYS A 109 33.309 -4.888 -21.206 1.00 0.00 N ATOM 0 H LYS A 109 32.842 -9.683 -16.708 1.00 0.00 H new ATOM 0 HA LYS A 109 35.597 -9.357 -17.660 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.128 -7.843 -17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.325 -6.990 -16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.918 -7.008 -18.484 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.826 -7.994 -19.436 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.078 -6.035 -18.915 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.522 -5.091 -18.610 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.329 -5.364 -20.844 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.298 -6.748 -21.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.366 -4.897 -22.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.368 -5.217 -20.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.463 -3.920 -20.859 1.00 0.00 H new ATOM 351 N TYR A 110 34.664 -8.534 -14.577 1.00 0.00 N ATOM 352 CA TYR A 110 35.148 -8.316 -13.218 1.00 0.00 C ATOM 353 C TYR A 110 35.277 -9.629 -12.449 1.00 0.00 C ATOM 354 O TYR A 110 35.979 -9.680 -11.440 1.00 0.00 O ATOM 355 CB TYR A 110 34.175 -7.383 -12.492 1.00 0.00 C ATOM 356 CG TYR A 110 34.125 -5.990 -13.081 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.217 -5.119 -12.920 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.986 -5.564 -13.788 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.168 -3.824 -13.462 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.939 -4.270 -14.328 1.00 0.00 C ATOM 361 CZ TYR A 110 34.028 -3.399 -14.163 1.00 0.00 C ATOM 362 OH TYR A 110 33.976 -2.139 -14.680 1.00 0.00 O ATOM 0 H TYR A 110 33.669 -8.343 -14.696 1.00 0.00 H new ATOM 0 HA TYR A 110 36.140 -7.867 -13.270 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.176 -7.818 -12.522 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.462 -7.316 -11.443 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.093 -5.446 -12.380 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.148 -6.233 -13.915 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.007 -3.155 -13.340 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.064 -3.943 -14.871 1.00 0.00 H new ATOM 0 HH TYR A 110 33.138 -1.708 -14.409 1.00 0.00 H new ATOM 372 N GLY A 111 34.596 -10.682 -12.906 1.00 0.00 N ATOM 373 CA GLY A 111 34.608 -11.964 -12.222 1.00 0.00 C ATOM 374 C GLY A 111 33.519 -11.973 -11.148 1.00 0.00 C ATOM 375 O GLY A 111 32.821 -10.972 -10.965 1.00 0.00 O ATOM 0 H GLY A 111 34.028 -10.665 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.439 -12.771 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.584 -12.138 -11.769 1.00 0.00 H new ATOM 379 N PRO A 112 33.371 -13.097 -10.427 1.00 0.00 N ATOM 380 CA PRO A 112 32.409 -13.216 -9.353 1.00 0.00 C ATOM 381 C PRO A 112 32.699 -12.172 -8.270 1.00 0.00 C ATOM 382 O PRO A 112 33.758 -11.542 -8.279 1.00 0.00 O ATOM 383 CB PRO A 112 32.552 -14.644 -8.816 1.00 0.00 C ATOM 384 CG PRO A 112 33.684 -15.308 -9.612 1.00 0.00 C ATOM 385 CD PRO A 112 34.157 -14.285 -10.646 1.00 0.00 C ATOM 0 HA PRO A 112 31.389 -13.035 -9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.783 -14.635 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.620 -15.197 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.502 -15.597 -8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.332 -16.217 -10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.220 -14.075 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.017 -14.663 -11.659 1.00 0.00 H new ATOM 393 N LYS A 113 31.750 -11.987 -7.342 1.00 0.00 N ATOM 394 CA LYS A 113 31.875 -10.991 -6.280 1.00 0.00 C ATOM 395 C LYS A 113 31.918 -9.596 -6.913 1.00 0.00 C ATOM 396 O LYS A 113 31.433 -9.412 -8.029 1.00 0.00 O ATOM 397 CB LYS A 113 33.127 -11.261 -5.421 1.00 0.00 C ATOM 398 CG LYS A 113 33.178 -12.736 -5.006 1.00 0.00 C ATOM 399 CD LYS A 113 34.304 -12.940 -3.987 1.00 0.00 C ATOM 400 CE LYS A 113 34.377 -14.414 -3.571 1.00 0.00 C ATOM 401 NZ LYS A 113 34.845 -15.264 -4.682 1.00 0.00 N ATOM 0 H LYS A 113 30.882 -12.521 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 113 31.014 -11.052 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.025 -11.003 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.112 -10.627 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.223 -13.037 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.345 -13.365 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.256 -12.628 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 113 34.130 -12.315 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.050 -14.521 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.393 -14.750 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.078 -16.211 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.096 -15.342 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.692 -14.839 -5.111 1.00 0.00 H new ATOM 415 N ARG A 114 32.496 -8.613 -6.200 1.00 0.00 N ATOM 416 CA ARG A 114 32.599 -7.242 -6.698 1.00 0.00 C ATOM 417 C ARG A 114 31.221 -6.755 -7.161 1.00 0.00 C ATOM 418 O ARG A 114 31.103 -6.060 -8.172 1.00 0.00 O ATOM 419 CB ARG A 114 33.625 -7.188 -7.841 1.00 0.00 C ATOM 420 CG ARG A 114 35.018 -7.539 -7.304 1.00 0.00 C ATOM 421 CD ARG A 114 35.965 -7.836 -8.468 1.00 0.00 C ATOM 422 NE ARG A 114 37.342 -8.007 -7.984 1.00 0.00 N ATOM 423 CZ ARG A 114 38.355 -8.423 -8.766 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.129 -8.788 -10.034 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.598 -8.472 -8.271 1.00 0.00 N ATOM 0 H ARG A 114 32.899 -8.750 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 114 32.940 -6.581 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.342 -7.886 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.636 -6.193 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.407 -6.713 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.956 -8.405 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.641 -8.739 -8.986 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.927 -7.022 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 114 37.540 -7.800 -7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.183 -8.752 -10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.903 -9.102 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.774 -8.195 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.369 -8.787 -8.860 1.00 0.00 H new ATOM 439 N TRP A 115 30.179 -7.132 -6.410 1.00 0.00 N ATOM 440 CA TRP A 115 28.810 -6.778 -6.741 1.00 0.00 C ATOM 441 C TRP A 115 28.596 -5.272 -6.630 1.00 0.00 C ATOM 442 O TRP A 115 27.671 -4.740 -7.231 1.00 0.00 O ATOM 443 CB TRP A 115 27.865 -7.557 -5.829 1.00 0.00 C ATOM 444 CG TRP A 115 27.954 -9.037 -6.024 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.398 -9.927 -5.121 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.626 -9.819 -7.210 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.385 -11.200 -5.640 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.918 -11.194 -6.941 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.117 -9.512 -8.493 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.724 -12.199 -7.893 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.917 -10.525 -9.454 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.227 -11.861 -9.157 1.00 0.00 C ATOM 0 H TRP A 115 30.270 -7.689 -5.560 1.00 0.00 H new ATOM 0 HA TRP A 115 28.599 -7.047 -7.776 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.093 -7.318 -4.790 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.841 -7.233 -6.014 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.722 -9.676 -4.122 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.680 -12.035 -5.134 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.878 -8.488 -8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.955 -13.227 -7.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.522 -10.270 -10.426 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.082 -12.628 -9.903 1.00 0.00 H new ATOM 463 N SER A 116 29.456 -4.581 -5.876 1.00 0.00 N ATOM 464 CA SER A 116 29.374 -3.137 -5.750 1.00 0.00 C ATOM 465 C SER A 116 29.638 -2.497 -7.116 1.00 0.00 C ATOM 466 O SER A 116 28.926 -1.584 -7.526 1.00 0.00 O ATOM 467 CB SER A 116 30.399 -2.661 -4.719 1.00 0.00 C ATOM 468 OG SER A 116 30.253 -3.406 -3.529 1.00 0.00 O ATOM 0 H SER A 116 30.216 -5.007 -5.345 1.00 0.00 H new ATOM 0 HA SER A 116 28.380 -2.843 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.408 -2.780 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.259 -1.599 -4.515 1.00 0.00 H new ATOM 0 HG SER A 116 30.911 -3.102 -2.870 1.00 0.00 H new ATOM 474 N VAL A 117 30.669 -2.990 -7.816 1.00 0.00 N ATOM 475 CA VAL A 117 31.036 -2.479 -9.129 1.00 0.00 C ATOM 476 C VAL A 117 29.942 -2.821 -10.139 1.00 0.00 C ATOM 477 O VAL A 117 29.501 -1.958 -10.895 1.00 0.00 O ATOM 478 CB VAL A 117 32.385 -3.084 -9.549 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.766 -2.584 -10.944 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.471 -2.672 -8.549 1.00 0.00 C ATOM 0 H VAL A 117 31.264 -3.749 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 117 31.137 -1.394 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 117 32.297 -4.170 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.723 -3.016 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.999 -2.882 -11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.847 -1.497 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.426 -3.103 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.554 -1.585 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.207 -3.034 -7.555 1.00 0.00 H new ATOM 490 N ILE A 118 29.504 -4.085 -10.147 1.00 0.00 N ATOM 491 CA ILE A 118 28.463 -4.539 -11.059 1.00 0.00 C ATOM 492 C ILE A 118 27.185 -3.715 -10.841 1.00 0.00 C ATOM 493 O ILE A 118 26.536 -3.314 -11.805 1.00 0.00 O ATOM 494 CB ILE A 118 28.221 -6.043 -10.830 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.435 -6.838 -11.349 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.959 -6.494 -11.576 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.558 -8.169 -10.606 1.00 0.00 C ATOM 0 H ILE A 118 29.861 -4.811 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 118 28.773 -4.394 -12.094 1.00 0.00 H new ATOM 0 HB ILE A 118 28.087 -6.226 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.328 -7.020 -12.418 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.345 -6.254 -11.214 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.797 -7.559 -11.407 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.099 -5.934 -11.208 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.082 -6.310 -12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.420 -8.718 -10.984 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.687 -7.980 -9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.655 -8.758 -10.763 1.00 0.00 H new ATOM 509 N ALA A 119 26.830 -3.461 -9.574 1.00 0.00 N ATOM 510 CA ALA A 119 25.636 -2.693 -9.237 1.00 0.00 C ATOM 511 C ALA A 119 25.769 -1.250 -9.728 1.00 0.00 C ATOM 512 O ALA A 119 24.809 -0.685 -10.247 1.00 0.00 O ATOM 513 CB ALA A 119 25.420 -2.725 -7.725 1.00 0.00 C ATOM 0 H ALA A 119 27.361 -3.781 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 119 24.774 -3.140 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.528 -2.151 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.293 -3.757 -7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.285 -2.290 -7.225 1.00 0.00 H new ATOM 519 N LYS A 120 26.959 -0.650 -9.565 1.00 0.00 N ATOM 520 CA LYS A 120 27.198 0.724 -10.002 1.00 0.00 C ATOM 521 C LYS A 120 26.899 0.867 -11.498 1.00 0.00 C ATOM 522 O LYS A 120 26.534 1.954 -11.952 1.00 0.00 O ATOM 523 CB LYS A 120 28.646 1.123 -9.692 1.00 0.00 C ATOM 524 CG LYS A 120 28.760 1.533 -8.217 1.00 0.00 C ATOM 525 CD LYS A 120 30.229 1.505 -7.764 1.00 0.00 C ATOM 526 CE LYS A 120 31.085 2.456 -8.613 1.00 0.00 C ATOM 527 NZ LYS A 120 30.620 3.851 -8.496 1.00 0.00 N ATOM 0 H LYS A 120 27.767 -1.099 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 120 26.530 1.393 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.317 0.290 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.952 1.948 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.349 2.533 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.169 0.857 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.295 1.790 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.619 0.490 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.126 2.391 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.049 2.146 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.321 4.488 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.710 3.956 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.500 4.094 -7.492 1.00 0.00 H new ATOM 541 N HIS A 121 27.048 -0.226 -12.259 1.00 0.00 N ATOM 542 CA HIS A 121 26.773 -0.217 -13.686 1.00 0.00 C ATOM 543 C HIS A 121 25.291 -0.494 -13.909 1.00 0.00 C ATOM 544 O HIS A 121 24.641 0.199 -14.692 1.00 0.00 O ATOM 545 CB HIS A 121 27.645 -1.268 -14.375 1.00 0.00 C ATOM 546 CG HIS A 121 29.109 -1.081 -14.076 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.676 0.170 -13.857 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.148 -1.965 -13.944 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.984 -0.033 -13.614 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.340 -1.317 -13.655 1.00 0.00 N ATOM 0 H HIS A 121 27.360 -1.128 -11.899 1.00 0.00 H new ATOM 0 HA HIS A 121 27.010 0.757 -14.115 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.335 -2.262 -14.053 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.487 -1.218 -15.452 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.193 1.068 -13.877 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.051 -3.035 -14.052 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.679 0.767 -13.406 1.00 0.00 H new ATOM 558 N LEU A 122 24.757 -1.504 -13.211 1.00 0.00 N ATOM 559 CA LEU A 122 23.349 -1.849 -13.306 1.00 0.00 C ATOM 560 C LEU A 122 22.544 -0.901 -12.423 1.00 0.00 C ATOM 561 O LEU A 122 22.045 -1.296 -11.368 1.00 0.00 O ATOM 562 CB LEU A 122 23.142 -3.309 -12.885 1.00 0.00 C ATOM 563 CG LEU A 122 23.897 -4.250 -13.836 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.664 -5.696 -13.407 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.396 -4.067 -15.271 1.00 0.00 C ATOM 0 H LEU A 122 25.290 -2.095 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 122 23.006 -1.745 -14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.494 -3.454 -11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.079 -3.550 -12.892 1.00 0.00 H new ATOM 0 HG LEU A 122 24.960 -4.014 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.199 -6.366 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.029 -5.837 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.598 -5.919 -13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.939 -4.740 -15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.331 -4.294 -15.316 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.561 -3.036 -15.585 1.00 0.00 H new ATOM 577 N LYS A 123 22.428 0.357 -12.866 1.00 0.00 N ATOM 578 CA LYS A 123 21.706 1.384 -12.130 1.00 0.00 C ATOM 579 C LYS A 123 20.225 1.019 -12.051 1.00 0.00 C ATOM 580 O LYS A 123 19.439 1.400 -12.916 1.00 0.00 O ATOM 581 CB LYS A 123 21.899 2.738 -12.824 1.00 0.00 C ATOM 582 CG LYS A 123 23.388 3.099 -12.858 1.00 0.00 C ATOM 583 CD LYS A 123 23.560 4.512 -13.425 1.00 0.00 C ATOM 584 CE LYS A 123 25.029 4.755 -13.788 1.00 0.00 C ATOM 585 NZ LYS A 123 25.910 4.564 -12.621 1.00 0.00 N ATOM 0 H LYS A 123 22.833 0.684 -13.743 1.00 0.00 H new ATOM 0 HA LYS A 123 22.096 1.453 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.503 2.696 -13.839 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.341 3.510 -12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.809 3.045 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.933 2.381 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.933 4.637 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.231 5.249 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.326 4.074 -14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.147 5.768 -14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.822 5.033 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.463 4.977 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.067 3.547 -12.467 1.00 0.00 H new ATOM 599 N GLY A 124 19.856 0.273 -11.008 1.00 0.00 N ATOM 600 CA GLY A 124 18.487 -0.165 -10.809 1.00 0.00 C ATOM 601 C GLY A 124 18.448 -1.311 -9.801 1.00 0.00 C ATOM 602 O GLY A 124 17.484 -1.437 -9.048 1.00 0.00 O ATOM 0 H GLY A 124 20.502 -0.040 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.879 0.666 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.058 -0.489 -11.757 1.00 0.00 H new ATOM 606 N ARG A 125 19.501 -2.147 -9.793 1.00 0.00 N ATOM 607 CA ARG A 125 19.590 -3.281 -8.883 1.00 0.00 C ATOM 608 C ARG A 125 20.839 -3.148 -8.020 1.00 0.00 C ATOM 609 O ARG A 125 21.937 -2.958 -8.540 1.00 0.00 O ATOM 610 CB ARG A 125 19.642 -4.588 -9.691 1.00 0.00 C ATOM 611 CG ARG A 125 18.393 -4.739 -10.571 1.00 0.00 C ATOM 612 CD ARG A 125 17.122 -4.775 -9.707 1.00 0.00 C ATOM 613 NE ARG A 125 16.290 -5.956 -9.990 1.00 0.00 N ATOM 614 CZ ARG A 125 15.655 -6.160 -11.158 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.088 -5.582 -12.277 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.582 -6.956 -11.197 1.00 0.00 N ATOM 0 H ARG A 125 20.303 -2.049 -10.415 1.00 0.00 H new ATOM 0 HA ARG A 125 18.713 -3.298 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.535 -4.599 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.718 -5.437 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.336 -3.910 -11.276 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.465 -5.654 -11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.401 -4.773 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.539 -3.871 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 125 16.189 -6.660 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.909 -4.977 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.598 -5.744 -13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.249 -7.405 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.096 -7.114 -12.080 1.00 0.00 H new ATOM 630 N ILE A 126 20.669 -3.253 -6.696 1.00 0.00 N ATOM 631 CA ILE A 126 21.785 -3.151 -5.767 1.00 0.00 C ATOM 632 C ILE A 126 22.597 -4.449 -5.783 1.00 0.00 C ATOM 633 O ILE A 126 22.181 -5.445 -6.382 1.00 0.00 O ATOM 634 CB ILE A 126 21.267 -2.831 -4.353 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.275 -3.911 -3.889 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.578 -1.461 -4.363 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.010 -3.769 -2.388 1.00 0.00 C ATOM 0 H ILE A 126 19.765 -3.409 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 126 22.441 -2.338 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 126 22.109 -2.812 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.340 -3.819 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.676 -4.901 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.210 -1.231 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.292 -0.697 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.742 -1.479 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.307 -4.538 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.946 -3.883 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.589 -2.785 -2.184 1.00 0.00 H new ATOM 649 N GLY A 127 23.762 -4.428 -5.123 1.00 0.00 N ATOM 650 CA GLY A 127 24.658 -5.575 -5.073 1.00 0.00 C ATOM 651 C GLY A 127 23.936 -6.828 -4.578 1.00 0.00 C ATOM 652 O GLY A 127 24.170 -7.915 -5.096 1.00 0.00 O ATOM 0 H GLY A 127 24.103 -3.614 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.071 -5.759 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.498 -5.354 -4.415 1.00 0.00 H new ATOM 656 N LYS A 128 23.064 -6.678 -3.573 1.00 0.00 N ATOM 657 CA LYS A 128 22.332 -7.804 -3.008 1.00 0.00 C ATOM 658 C LYS A 128 21.526 -8.519 -4.096 1.00 0.00 C ATOM 659 O LYS A 128 21.603 -9.738 -4.225 1.00 0.00 O ATOM 660 CB LYS A 128 21.410 -7.297 -1.892 1.00 0.00 C ATOM 661 CG LYS A 128 20.749 -8.486 -1.180 1.00 0.00 C ATOM 662 CD LYS A 128 19.839 -7.984 -0.048 1.00 0.00 C ATOM 663 CE LYS A 128 20.544 -8.127 1.307 1.00 0.00 C ATOM 664 NZ LYS A 128 21.738 -7.268 1.388 1.00 0.00 N ATOM 0 H LYS A 128 22.852 -5.781 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 128 23.037 -8.522 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.982 -6.706 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.646 -6.641 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.167 -9.069 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.514 -9.149 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.576 -6.940 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.908 -8.551 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.852 -7.866 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.832 -9.167 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 22.112 -7.285 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 22.463 -7.619 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.482 -6.293 1.132 1.00 0.00 H new ATOM 678 N GLN A 129 20.750 -7.755 -4.872 1.00 0.00 N ATOM 679 CA GLN A 129 19.915 -8.313 -5.926 1.00 0.00 C ATOM 680 C GLN A 129 20.785 -8.932 -7.012 1.00 0.00 C ATOM 681 O GLN A 129 20.580 -10.081 -7.387 1.00 0.00 O ATOM 682 CB GLN A 129 19.038 -7.210 -6.510 1.00 0.00 C ATOM 683 CG GLN A 129 18.082 -6.686 -5.440 1.00 0.00 C ATOM 684 CD GLN A 129 17.106 -5.697 -6.049 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.234 -4.492 -5.857 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.134 -6.211 -6.796 1.00 0.00 N ATOM 0 H GLN A 129 20.687 -6.741 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 129 19.279 -9.095 -5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.661 -6.397 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.473 -7.594 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.537 -7.516 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.647 -6.206 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.070 -7.221 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.452 -5.596 -7.240 1.00 0.00 H new ATOM 695 N CYS A 130 21.757 -8.163 -7.513 1.00 0.00 N ATOM 696 CA CYS A 130 22.680 -8.647 -8.540 1.00 0.00 C ATOM 697 C CYS A 130 23.274 -9.995 -8.115 1.00 0.00 C ATOM 698 O CYS A 130 23.318 -10.935 -8.908 1.00 0.00 O ATOM 699 CB CYS A 130 23.799 -7.621 -8.761 1.00 0.00 C ATOM 700 SG CYS A 130 23.106 -6.123 -9.507 1.00 0.00 S ATOM 0 H CYS A 130 21.924 -7.200 -7.222 1.00 0.00 H new ATOM 0 HA CYS A 130 22.136 -8.782 -9.475 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.278 -7.379 -7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.569 -8.040 -9.409 1.00 0.00 H new ATOM 0 HG CYS A 130 22.543 -5.400 -8.585 1.00 0.00 H new ATOM 706 N ARG A 131 23.728 -10.081 -6.857 1.00 0.00 N ATOM 707 CA ARG A 131 24.309 -11.300 -6.319 1.00 0.00 C ATOM 708 C ARG A 131 23.270 -12.421 -6.321 1.00 0.00 C ATOM 709 O ARG A 131 23.538 -13.512 -6.815 1.00 0.00 O ATOM 710 CB ARG A 131 24.820 -11.019 -4.895 1.00 0.00 C ATOM 711 CG ARG A 131 25.645 -12.204 -4.373 1.00 0.00 C ATOM 712 CD ARG A 131 24.773 -13.121 -3.506 1.00 0.00 C ATOM 713 NE ARG A 131 25.565 -14.229 -2.951 1.00 0.00 N ATOM 714 CZ ARG A 131 26.393 -14.095 -1.896 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.536 -12.906 -1.292 1.00 0.00 N ATOM 716 NH2 ARG A 131 27.077 -15.156 -1.450 1.00 0.00 N ATOM 0 H ARG A 131 23.699 -9.307 -6.194 1.00 0.00 H new ATOM 0 HA ARG A 131 25.146 -11.622 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.430 -10.116 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.976 -10.835 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.055 -12.767 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.491 -11.838 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.328 -12.545 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.952 -13.519 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 131 25.483 -15.147 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.016 -12.096 -1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.164 -12.812 -0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.970 -16.061 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.705 -15.059 -0.652 1.00 0.00 H new ATOM 730 N GLU A 132 22.085 -12.147 -5.764 1.00 0.00 N ATOM 731 CA GLU A 132 21.012 -13.129 -5.685 1.00 0.00 C ATOM 732 C GLU A 132 20.723 -13.715 -7.066 1.00 0.00 C ATOM 733 O GLU A 132 20.694 -14.931 -7.223 1.00 0.00 O ATOM 734 CB GLU A 132 19.767 -12.452 -5.100 1.00 0.00 C ATOM 735 CG GLU A 132 18.680 -13.491 -4.820 1.00 0.00 C ATOM 736 CD GLU A 132 17.463 -12.833 -4.182 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.859 -11.976 -4.864 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.161 -13.196 -3.025 1.00 0.00 O ATOM 0 H GLU A 132 21.849 -11.241 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 132 21.310 -13.953 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.027 -11.931 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.392 -11.702 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.390 -13.982 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.070 -14.265 -4.159 1.00 0.00 H new ATOM 745 N ARG A 133 20.515 -12.850 -8.065 1.00 0.00 N ATOM 746 CA ARG A 133 20.228 -13.290 -9.423 1.00 0.00 C ATOM 747 C ARG A 133 21.227 -14.366 -9.850 1.00 0.00 C ATOM 748 O ARG A 133 20.845 -15.368 -10.460 1.00 0.00 O ATOM 749 CB ARG A 133 20.303 -12.080 -10.374 1.00 0.00 C ATOM 750 CG ARG A 133 19.781 -12.454 -11.770 1.00 0.00 C ATOM 751 CD ARG A 133 18.251 -12.469 -11.776 1.00 0.00 C ATOM 752 NE ARG A 133 17.741 -12.895 -13.087 1.00 0.00 N ATOM 753 CZ ARG A 133 16.502 -13.383 -13.276 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.645 -13.448 -12.257 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.123 -13.797 -14.488 1.00 0.00 N ATOM 0 H ARG A 133 20.542 -11.837 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 133 19.226 -13.718 -9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.715 -11.256 -9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.333 -11.731 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.148 -11.739 -12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.163 -13.433 -12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.886 -13.144 -11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.872 -11.475 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 133 18.358 -12.817 -13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.928 -13.127 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.706 -13.819 -12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.774 -13.743 -15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.183 -14.167 -14.630 1.00 0.00 H new ATOM 769 N TRP A 134 22.506 -14.149 -9.536 1.00 0.00 N ATOM 770 CA TRP A 134 23.559 -15.052 -9.944 1.00 0.00 C ATOM 771 C TRP A 134 23.599 -16.325 -9.093 1.00 0.00 C ATOM 772 O TRP A 134 23.794 -17.415 -9.629 1.00 0.00 O ATOM 773 CB TRP A 134 24.900 -14.327 -9.877 1.00 0.00 C ATOM 774 CG TRP A 134 25.927 -14.970 -10.730 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.870 -15.833 -10.321 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.089 -14.863 -12.166 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.598 -16.296 -11.387 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.146 -15.730 -12.568 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.434 -14.132 -13.181 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.514 -15.882 -13.905 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.815 -14.263 -14.520 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.841 -15.147 -14.888 1.00 0.00 C ATOM 0 H TRP A 134 22.829 -13.346 -8.996 1.00 0.00 H new ATOM 0 HA TRP A 134 23.354 -15.364 -10.968 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.767 -13.291 -10.189 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.249 -14.306 -8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.033 -16.123 -9.294 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.366 -16.964 -11.320 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.628 -13.463 -12.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.309 -16.559 -14.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.315 -13.678 -15.278 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.111 -15.260 -15.928 1.00 0.00 H new ATOM 793 N HIS A 135 23.434 -16.195 -7.771 1.00 0.00 N ATOM 794 CA HIS A 135 23.526 -17.341 -6.867 1.00 0.00 C ATOM 795 C HIS A 135 22.194 -18.100 -6.774 1.00 0.00 C ATOM 796 O HIS A 135 21.922 -18.754 -5.769 1.00 0.00 O ATOM 797 CB HIS A 135 23.999 -16.854 -5.496 1.00 0.00 C ATOM 798 CG HIS A 135 25.465 -16.504 -5.504 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.439 -17.334 -4.960 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.159 -15.429 -6.001 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.625 -16.722 -5.155 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.522 -15.552 -5.785 1.00 0.00 N ATOM 0 H HIS A 135 23.237 -15.308 -7.307 1.00 0.00 H new ATOM 0 HA HIS A 135 24.252 -18.051 -7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.418 -15.981 -5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.814 -17.628 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.698 -14.589 -6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.567 -17.140 -4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.266 -14.904 -6.045 1.00 0.00 H new ATOM 810 N ASN A 136 21.378 -18.027 -7.833 1.00 0.00 N ATOM 811 CA ASN A 136 20.117 -18.760 -7.910 1.00 0.00 C ATOM 812 C ASN A 136 19.940 -19.282 -9.322 1.00 0.00 C ATOM 813 O ASN A 136 19.818 -20.485 -9.537 1.00 0.00 O ATOM 814 CB ASN A 136 18.942 -17.848 -7.547 1.00 0.00 C ATOM 815 CG ASN A 136 18.823 -17.683 -6.045 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.036 -18.371 -5.400 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.604 -16.772 -5.490 1.00 0.00 N ATOM 0 H ASN A 136 21.576 -17.459 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 136 20.140 -19.589 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.077 -16.872 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.017 -18.266 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.569 -16.616 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.241 -16.226 -6.069 1.00 0.00 H new ATOM 824 N HIS A 137 19.918 -18.357 -10.281 1.00 0.00 N ATOM 825 CA HIS A 137 19.721 -18.697 -11.685 1.00 0.00 C ATOM 826 C HIS A 137 21.071 -18.947 -12.375 1.00 0.00 C ATOM 827 O HIS A 137 21.883 -19.732 -11.890 1.00 0.00 O ATOM 828 CB HIS A 137 18.947 -17.564 -12.371 1.00 0.00 C ATOM 829 CG HIS A 137 17.719 -17.156 -11.610 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.564 -17.927 -11.566 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.439 -16.055 -10.852 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.679 -17.255 -10.802 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.153 -16.098 -10.334 1.00 0.00 N ATOM 0 H HIS A 137 20.035 -17.359 -10.106 1.00 0.00 H new ATOM 0 HA HIS A 137 19.142 -19.617 -11.761 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.602 -16.700 -12.486 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.659 -17.881 -13.373 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.135 -15.248 -10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.684 -17.617 -10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.684 -15.413 -9.741 1.00 0.00 H new ATOM 841 N LEU A 138 21.289 -18.276 -13.515 1.00 0.00 N ATOM 842 CA LEU A 138 22.501 -18.414 -14.313 1.00 0.00 C ATOM 843 C LEU A 138 23.752 -18.145 -13.468 1.00 0.00 C ATOM 844 O LEU A 138 24.065 -16.999 -13.157 1.00 0.00 O ATOM 845 CB LEU A 138 22.429 -17.451 -15.513 1.00 0.00 C ATOM 846 CG LEU A 138 21.923 -16.060 -15.066 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.786 -14.968 -15.683 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.476 -15.858 -15.526 1.00 0.00 C ATOM 0 H LEU A 138 20.617 -17.617 -13.907 1.00 0.00 H new ATOM 0 HA LEU A 138 22.572 -19.438 -14.679 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.414 -17.356 -15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.763 -17.859 -16.274 1.00 0.00 H new ATOM 0 HG LEU A 138 21.978 -16.005 -13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.422 -13.992 -15.362 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.819 -15.094 -15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.736 -15.035 -16.770 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.127 -14.876 -15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.427 -15.926 -16.613 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.843 -16.629 -15.086 1.00 0.00 H new