USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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: B 12 HIS : no HE2:sc= -5.02! C(o=-4!,f=-4.8!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.00754 X(o=-4,f=-4.4) USER MOD Set 1.3: B 40 CYS SG : rot -144:sc= 0.38 USER MOD Set 1.4: B 43 CYS SG : rot 137:sc= 0.665 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -5.18! C(o=-4.1!,f=-4.7!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= 0.0119 X(o=-4.1,f=-4.6) USER MOD Set 2.3: A 40 CYS SG : rot -144:sc= 0.393 USER MOD Set 2.4: A 43 CYS SG : rot 138:sc= 0.666 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 18 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -95:sc= 0.882 USER MOD Single : A 24 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 1.24 (180deg=-0.888) USER MOD Single : A 30 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 35 GLN : amide:sc= -1 X(o=-1,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.913 F(o=-1.5,f=-0.91) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= -0.0537 USER MOD Single : B 18 ASN : amide:sc= -0.0495 K(o=-0.05,f=-1.3!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot -87:sc= 0.919 USER MOD Single : B 24 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -144:sc= 1.18 (180deg=-0.862) USER MOD Single : B 30 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : B 35 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.9) USER MOD Single : B 38 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.5!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.89 F(o=-1.5,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -9.127 -6.968 -12.004 1.00 0.00 N ATOM 99 CA GLU A 6 -9.633 -6.190 -13.134 1.00 0.00 C ATOM 100 C GLU A 6 -11.164 -6.200 -13.173 1.00 0.00 C ATOM 101 O GLU A 6 -11.794 -5.144 -13.214 1.00 0.00 O ATOM 102 CB GLU A 6 -9.066 -6.721 -14.452 1.00 0.00 C ATOM 103 CG GLU A 6 -7.799 -6.008 -14.896 1.00 0.00 C ATOM 104 CD GLU A 6 -7.459 -6.276 -16.349 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.323 -7.461 -16.719 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.327 -5.298 -17.117 1.00 0.00 O ATOM 0 HA GLU A 6 -9.304 -5.159 -13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.857 -7.785 -14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.822 -6.621 -15.231 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.919 -4.935 -14.746 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.968 -6.327 -14.267 1.00 0.00 H new ATOM 113 N PRO A 7 -11.795 -7.395 -13.151 1.00 0.00 N ATOM 114 CA PRO A 7 -13.258 -7.516 -13.176 1.00 0.00 C ATOM 115 C PRO A 7 -13.932 -6.598 -12.162 1.00 0.00 C ATOM 116 O PRO A 7 -14.981 -6.016 -12.434 1.00 0.00 O ATOM 117 CB PRO A 7 -13.497 -8.979 -12.805 1.00 0.00 C ATOM 118 CG PRO A 7 -12.273 -9.690 -13.261 1.00 0.00 C ATOM 119 CD PRO A 7 -11.139 -8.719 -13.097 1.00 0.00 C ATOM 0 HA PRO A 7 -13.674 -7.231 -14.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.646 -9.096 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.388 -9.371 -13.295 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.103 -10.590 -12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.370 -10.004 -14.300 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.618 -8.869 -12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.399 -8.831 -13.890 1.00 0.00 H new ATOM 127 N ALA A 8 -13.316 -6.473 -10.990 1.00 0.00 N ATOM 128 CA ALA A 8 -13.852 -5.626 -9.934 1.00 0.00 C ATOM 129 C ALA A 8 -13.837 -4.162 -10.353 1.00 0.00 C ATOM 130 O ALA A 8 -14.760 -3.407 -10.049 1.00 0.00 O ATOM 131 CB ALA A 8 -13.065 -5.823 -8.647 1.00 0.00 C ATOM 0 H ALA A 8 -12.446 -6.948 -10.750 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.888 -5.915 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.477 -5.183 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.133 -6.865 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.020 -5.562 -8.816 1.00 0.00 H new ATOM 137 N GLN A 9 -12.783 -3.765 -11.062 1.00 0.00 N ATOM 138 CA GLN A 9 -12.654 -2.390 -11.530 1.00 0.00 C ATOM 139 C GLN A 9 -13.785 -2.042 -12.491 1.00 0.00 C ATOM 140 O GLN A 9 -14.262 -0.906 -12.518 1.00 0.00 O ATOM 141 CB GLN A 9 -11.301 -2.187 -12.216 1.00 0.00 C ATOM 142 CG GLN A 9 -10.170 -1.884 -11.246 1.00 0.00 C ATOM 143 CD GLN A 9 -8.803 -2.158 -11.843 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.542 -1.835 -13.002 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.922 -2.755 -11.050 1.00 0.00 N ATOM 0 H GLN A 9 -12.009 -4.375 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.715 -1.727 -10.667 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.052 -3.084 -12.784 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.384 -1.369 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.227 -0.839 -10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.297 -2.485 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.182 -3.005 -10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.985 -2.964 -11.395 1.00 0.00 H new ATOM 154 N GLU A 10 -14.216 -3.027 -13.272 1.00 0.00 N ATOM 155 CA GLU A 10 -15.298 -2.825 -14.228 1.00 0.00 C ATOM 156 C GLU A 10 -16.630 -2.673 -13.502 1.00 0.00 C ATOM 157 O GLU A 10 -17.510 -1.934 -13.942 1.00 0.00 O ATOM 158 CB GLU A 10 -15.368 -3.998 -15.209 1.00 0.00 C ATOM 159 CG GLU A 10 -14.429 -3.854 -16.396 1.00 0.00 C ATOM 160 CD GLU A 10 -14.714 -2.612 -17.215 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.902 -2.338 -17.486 1.00 0.00 O ATOM 162 OE2 GLU A 10 -13.748 -1.913 -17.587 1.00 0.00 O ATOM 0 H GLU A 10 -13.833 -3.972 -13.262 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.097 -1.910 -14.786 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.131 -4.920 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.390 -4.095 -15.574 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.400 -3.821 -16.039 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.517 -4.734 -17.034 1.00 0.00 H new ATOM 169 N GLU A 11 -16.766 -3.376 -12.381 1.00 0.00 N ATOM 170 CA GLU A 11 -17.985 -3.321 -11.584 1.00 0.00 C ATOM 171 C GLU A 11 -18.147 -1.950 -10.942 1.00 0.00 C ATOM 172 O GLU A 11 -19.255 -1.416 -10.878 1.00 0.00 O ATOM 173 CB GLU A 11 -17.962 -4.406 -10.506 1.00 0.00 C ATOM 174 CG GLU A 11 -19.204 -4.424 -9.632 1.00 0.00 C ATOM 175 CD GLU A 11 -20.441 -4.867 -10.386 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.300 -5.642 -11.355 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.553 -4.443 -10.007 1.00 0.00 O ATOM 0 H GLU A 11 -16.045 -3.991 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.834 -3.496 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.851 -5.379 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.086 -4.260 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.039 -5.092 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.370 -3.428 -9.223 1.00 0.00 H new ATOM 184 N HIS A 12 -17.044 -1.377 -10.471 1.00 0.00 N ATOM 185 CA HIS A 12 -17.098 -0.066 -9.845 1.00 0.00 C ATOM 186 C HIS A 12 -17.478 1.002 -10.870 1.00 0.00 C ATOM 187 O HIS A 12 -18.232 1.921 -10.570 1.00 0.00 O ATOM 188 CB HIS A 12 -15.761 0.301 -9.181 1.00 0.00 C ATOM 189 CG HIS A 12 -15.822 1.632 -8.502 1.00 0.00 C ATOM 190 ND1 HIS A 12 -15.775 1.815 -7.135 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.056 2.852 -9.039 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.000 3.116 -6.891 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.176 3.781 -8.015 1.00 0.00 N ATOM 0 H HIS A 12 -16.115 -1.795 -10.511 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.862 -0.108 -9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.495 -0.466 -8.454 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.973 0.313 -9.934 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.601 1.093 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.136 3.068 -10.094 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.032 3.558 -5.906 1.00 0.00 H new ATOM 201 N GLU A 13 -16.940 0.884 -12.072 1.00 0.00 N ATOM 202 CA GLU A 13 -17.217 1.849 -13.128 1.00 0.00 C ATOM 203 C GLU A 13 -18.690 1.837 -13.553 1.00 0.00 C ATOM 204 O GLU A 13 -19.132 2.730 -14.277 1.00 0.00 O ATOM 205 CB GLU A 13 -16.330 1.570 -14.342 1.00 0.00 C ATOM 206 CG GLU A 13 -14.909 2.086 -14.191 1.00 0.00 C ATOM 207 CD GLU A 13 -14.083 1.896 -15.449 1.00 0.00 C ATOM 208 OE1 GLU A 13 -13.615 0.761 -15.685 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.906 2.879 -16.197 1.00 0.00 O ATOM 0 H GLU A 13 -16.309 0.130 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.996 2.838 -12.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.300 0.495 -14.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.781 2.026 -15.223 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.936 3.145 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.425 1.570 -13.362 1.00 0.00 H new ATOM 216 N LYS A 14 -19.447 0.825 -13.126 1.00 0.00 N ATOM 217 CA LYS A 14 -20.853 0.725 -13.504 1.00 0.00 C ATOM 218 C LYS A 14 -21.803 1.161 -12.386 1.00 0.00 C ATOM 219 O LYS A 14 -22.927 1.583 -12.658 1.00 0.00 O ATOM 220 CB LYS A 14 -21.185 -0.711 -13.919 1.00 0.00 C ATOM 221 CG LYS A 14 -20.266 -1.261 -14.996 1.00 0.00 C ATOM 222 CD LYS A 14 -20.197 -2.779 -14.943 1.00 0.00 C ATOM 223 CE LYS A 14 -21.366 -3.417 -15.682 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.415 -4.890 -15.475 1.00 0.00 N ATOM 0 H LYS A 14 -19.113 0.072 -12.525 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.000 1.407 -14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -21.130 -1.356 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.214 -0.748 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.622 -0.945 -15.977 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.266 -0.845 -14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.259 -3.117 -15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -20.199 -3.108 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.299 -2.971 -15.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.283 -3.203 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -22.224 -5.287 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.535 -5.319 -15.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.520 -5.095 -14.461 1.00 0.00 H new ATOM 238 N TYR A 15 -21.375 1.039 -11.130 1.00 0.00 N ATOM 239 CA TYR A 15 -22.241 1.405 -10.006 1.00 0.00 C ATOM 240 C TYR A 15 -21.474 2.055 -8.849 1.00 0.00 C ATOM 241 O TYR A 15 -22.002 2.166 -7.741 1.00 0.00 O ATOM 242 CB TYR A 15 -22.963 0.158 -9.499 1.00 0.00 C ATOM 243 CG TYR A 15 -23.545 -0.697 -10.603 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.826 -0.460 -11.080 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.812 -1.735 -11.167 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.365 -1.234 -12.091 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.344 -2.513 -12.179 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.620 -2.258 -12.636 1.00 0.00 C ATOM 249 OH TYR A 15 -25.154 -3.030 -13.642 1.00 0.00 O ATOM 0 H TYR A 15 -20.451 0.696 -10.866 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.953 2.144 -10.374 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.266 -0.443 -8.915 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.764 0.461 -8.825 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.411 0.342 -10.655 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.813 -1.937 -10.810 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.364 -1.038 -12.452 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.763 -3.316 -12.609 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.501 -3.707 -13.917 1.00 0.00 H new ATOM 259 N HIS A 16 -20.231 2.468 -9.097 1.00 0.00 N ATOM 260 CA HIS A 16 -19.386 3.094 -8.068 1.00 0.00 C ATOM 261 C HIS A 16 -19.470 2.347 -6.733 1.00 0.00 C ATOM 262 O HIS A 16 -19.591 2.956 -5.669 1.00 0.00 O ATOM 263 CB HIS A 16 -19.752 4.569 -7.871 1.00 0.00 C ATOM 264 CG HIS A 16 -19.471 5.425 -9.070 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.221 5.955 -9.317 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.315 5.816 -10.059 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.333 6.647 -10.436 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.583 6.591 -10.924 1.00 0.00 N ATOM 0 H HIS A 16 -19.780 2.381 -10.008 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.357 3.035 -8.424 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -20.811 4.642 -7.624 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.198 4.961 -7.018 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -17.381 5.836 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.362 5.565 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.522 7.189 -10.900 1.00 0.00 H new ATOM 276 N SER A 17 -19.403 1.022 -6.808 1.00 0.00 N ATOM 277 CA SER A 17 -19.473 0.179 -5.619 1.00 0.00 C ATOM 278 C SER A 17 -18.364 0.529 -4.628 1.00 0.00 C ATOM 279 O SER A 17 -17.326 1.070 -5.007 1.00 0.00 O ATOM 280 CB SER A 17 -19.373 -1.295 -6.017 1.00 0.00 C ATOM 281 OG SER A 17 -20.618 -1.782 -6.487 1.00 0.00 O ATOM 0 H SER A 17 -19.300 0.507 -7.682 1.00 0.00 H new ATOM 0 HA SER A 17 -20.432 0.358 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.616 -1.415 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.048 -1.885 -5.160 1.00 0.00 H new ATOM 0 HG SER A 17 -20.527 -2.725 -6.736 1.00 0.00 H new ATOM 287 N ASN A 18 -18.595 0.213 -3.357 1.00 0.00 N ATOM 288 CA ASN A 18 -17.620 0.490 -2.306 1.00 0.00 C ATOM 289 C ASN A 18 -16.674 -0.690 -2.117 1.00 0.00 C ATOM 290 O ASN A 18 -16.867 -1.754 -2.704 1.00 0.00 O ATOM 291 CB ASN A 18 -18.335 0.801 -0.990 1.00 0.00 C ATOM 292 CG ASN A 18 -18.977 2.174 -0.989 1.00 0.00 C ATOM 293 OD1 ASN A 18 -18.530 3.082 -1.690 1.00 0.00 O ATOM 294 ND2 ASN A 18 -20.033 2.331 -0.200 1.00 0.00 N ATOM 0 H ASN A 18 -19.450 -0.236 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.033 1.358 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.100 0.046 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.622 0.736 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.508 3.232 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.369 1.550 0.364 1.00 0.00 H new ATOM 301 N VAL A 19 -15.651 -0.499 -1.285 1.00 0.00 N ATOM 302 CA VAL A 19 -14.672 -1.549 -1.013 1.00 0.00 C ATOM 303 C VAL A 19 -15.349 -2.828 -0.527 1.00 0.00 C ATOM 304 O VAL A 19 -15.150 -3.901 -1.096 1.00 0.00 O ATOM 305 CB VAL A 19 -13.641 -1.094 0.043 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.557 -2.145 0.235 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.034 0.242 -0.349 1.00 0.00 C ATOM 0 H VAL A 19 -15.479 0.375 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.158 -1.751 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.159 -0.971 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.844 -1.800 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.010 -3.078 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.039 -2.311 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.310 0.548 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.535 0.146 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.821 0.992 -0.421 1.00 0.00 H new ATOM 317 N LYS A 20 -16.152 -2.704 0.525 1.00 0.00 N ATOM 318 CA LYS A 20 -16.861 -3.852 1.087 1.00 0.00 C ATOM 319 C LYS A 20 -17.703 -4.556 0.023 1.00 0.00 C ATOM 320 O LYS A 20 -17.955 -5.756 0.114 1.00 0.00 O ATOM 321 CB LYS A 20 -17.751 -3.412 2.252 1.00 0.00 C ATOM 322 CG LYS A 20 -18.438 -4.568 2.967 1.00 0.00 C ATOM 323 CD LYS A 20 -19.943 -4.574 2.729 1.00 0.00 C ATOM 324 CE LYS A 20 -20.716 -4.818 4.014 1.00 0.00 C ATOM 325 NZ LYS A 20 -21.279 -3.557 4.574 1.00 0.00 N ATOM 0 H LYS A 20 -16.329 -1.822 1.006 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.116 -4.557 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.146 -2.859 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.510 -2.725 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.013 -5.511 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.241 -4.501 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.247 -3.620 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.193 -5.347 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.525 -5.523 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.059 -5.280 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.799 -3.768 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.505 -2.893 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.926 -3.129 3.882 1.00 0.00 H new ATOM 339 N GLU A 21 -18.128 -3.802 -0.987 1.00 0.00 N ATOM 340 CA GLU A 21 -18.930 -4.361 -2.066 1.00 0.00 C ATOM 341 C GLU A 21 -18.047 -5.109 -3.060 1.00 0.00 C ATOM 342 O GLU A 21 -18.358 -6.232 -3.458 1.00 0.00 O ATOM 343 CB GLU A 21 -19.703 -3.254 -2.783 1.00 0.00 C ATOM 344 CG GLU A 21 -20.777 -3.776 -3.721 1.00 0.00 C ATOM 345 CD GLU A 21 -21.951 -4.389 -2.982 1.00 0.00 C ATOM 346 OE1 GLU A 21 -21.793 -5.502 -2.436 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.027 -3.755 -2.946 1.00 0.00 O ATOM 0 H GLU A 21 -17.930 -2.806 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.641 -5.065 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.165 -2.604 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.002 -2.641 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.134 -2.959 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.342 -4.522 -4.386 1.00 0.00 H new ATOM 354 N LEU A 22 -16.939 -4.484 -3.448 1.00 0.00 N ATOM 355 CA LEU A 22 -16.010 -5.100 -4.388 1.00 0.00 C ATOM 356 C LEU A 22 -15.342 -6.318 -3.756 1.00 0.00 C ATOM 357 O LEU A 22 -15.097 -7.323 -4.425 1.00 0.00 O ATOM 358 CB LEU A 22 -14.936 -4.097 -4.833 1.00 0.00 C ATOM 359 CG LEU A 22 -15.344 -3.102 -5.930 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.091 -3.796 -7.062 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.184 -1.977 -5.346 1.00 0.00 C ATOM 0 H LEU A 22 -16.664 -3.556 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.579 -5.416 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.615 -3.530 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.070 -4.657 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.432 -2.675 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.365 -3.063 -7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.451 -4.557 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.993 -4.265 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.463 -1.282 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.084 -2.392 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.607 -1.449 -4.587 1.00 0.00 H new ATOM 373 N SER A 23 -15.043 -6.220 -2.463 1.00 0.00 N ATOM 374 CA SER A 23 -14.397 -7.309 -1.741 1.00 0.00 C ATOM 375 C SER A 23 -15.374 -8.450 -1.469 1.00 0.00 C ATOM 376 O SER A 23 -15.008 -9.624 -1.541 1.00 0.00 O ATOM 377 CB SER A 23 -13.815 -6.798 -0.424 1.00 0.00 C ATOM 378 OG SER A 23 -12.923 -5.719 -0.647 1.00 0.00 O ATOM 0 H SER A 23 -15.239 -5.396 -1.895 1.00 0.00 H new ATOM 0 HA SER A 23 -13.591 -7.693 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.622 -6.477 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.292 -7.608 0.085 1.00 0.00 H new ATOM 0 HG SER A 23 -12.004 -6.057 -0.689 1.00 0.00 H new ATOM 384 N HIS A 24 -16.616 -8.099 -1.151 1.00 0.00 N ATOM 385 CA HIS A 24 -17.644 -9.095 -0.864 1.00 0.00 C ATOM 386 C HIS A 24 -18.223 -9.675 -2.151 1.00 0.00 C ATOM 387 O HIS A 24 -18.580 -10.853 -2.207 1.00 0.00 O ATOM 388 CB HIS A 24 -18.757 -8.473 -0.017 1.00 0.00 C ATOM 389 CG HIS A 24 -19.864 -9.427 0.322 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.798 -10.238 1.429 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.030 -9.663 -0.329 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.916 -10.943 1.429 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.692 -10.628 0.382 1.00 0.00 N ATOM 0 H HIS A 24 -16.936 -7.133 -1.085 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.182 -9.909 -0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.326 -8.088 0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.175 -7.621 -0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.371 -9.182 -1.234 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -21.172 -11.679 2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.602 -11.030 0.158 1.00 0.00 H new ATOM 401 N LYS A 25 -18.319 -8.843 -3.182 1.00 0.00 N ATOM 402 CA LYS A 25 -18.864 -9.276 -4.464 1.00 0.00 C ATOM 403 C LYS A 25 -17.862 -10.135 -5.231 1.00 0.00 C ATOM 404 O LYS A 25 -18.250 -10.998 -6.018 1.00 0.00 O ATOM 405 CB LYS A 25 -19.262 -8.064 -5.308 1.00 0.00 C ATOM 406 CG LYS A 25 -20.071 -8.427 -6.542 1.00 0.00 C ATOM 407 CD LYS A 25 -19.179 -8.620 -7.757 1.00 0.00 C ATOM 408 CE LYS A 25 -19.770 -9.630 -8.726 1.00 0.00 C ATOM 409 NZ LYS A 25 -19.672 -11.023 -8.207 1.00 0.00 N ATOM 0 H LYS A 25 -18.027 -7.866 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.748 -9.881 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.842 -7.376 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.361 -7.534 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.633 -9.342 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.799 -7.641 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.041 -7.665 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.193 -8.956 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.816 -9.385 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.251 -9.562 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.539 -11.681 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.862 -11.096 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.546 -11.266 -7.699 1.00 0.00 H new ATOM 423 N PHE A 26 -16.575 -9.892 -5.006 1.00 0.00 N ATOM 424 CA PHE A 26 -15.527 -10.644 -5.687 1.00 0.00 C ATOM 425 C PHE A 26 -14.710 -11.471 -4.699 1.00 0.00 C ATOM 426 O PHE A 26 -14.811 -12.698 -4.670 1.00 0.00 O ATOM 427 CB PHE A 26 -14.615 -9.693 -6.462 1.00 0.00 C ATOM 428 CG PHE A 26 -15.300 -9.035 -7.625 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.290 -9.628 -8.875 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.960 -7.828 -7.464 1.00 0.00 C ATOM 431 CE1 PHE A 26 -15.925 -9.029 -9.947 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.596 -7.223 -8.530 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.579 -7.825 -9.773 1.00 0.00 C ATOM 0 H PHE A 26 -16.233 -9.182 -4.359 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.004 -11.330 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.243 -8.924 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.748 -10.245 -6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.780 -10.570 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.977 -7.355 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.910 -9.501 -10.918 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.106 -6.281 -8.392 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.077 -7.355 -10.608 1.00 0.00 H new ATOM 443 N GLY A 27 -13.900 -10.794 -3.890 1.00 0.00 N ATOM 444 CA GLY A 27 -13.081 -11.487 -2.915 1.00 0.00 C ATOM 445 C GLY A 27 -11.670 -10.939 -2.846 1.00 0.00 C ATOM 446 O GLY A 27 -10.712 -11.617 -3.222 1.00 0.00 O ATOM 0 H GLY A 27 -13.797 -9.779 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.546 -11.407 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.043 -12.547 -3.165 1.00 0.00 H new ATOM 450 N ILE A 28 -11.539 -9.707 -2.365 1.00 0.00 N ATOM 451 CA ILE A 28 -10.236 -9.066 -2.246 1.00 0.00 C ATOM 452 C ILE A 28 -10.149 -8.230 -0.968 1.00 0.00 C ATOM 453 O ILE A 28 -11.126 -7.592 -0.576 1.00 0.00 O ATOM 454 CB ILE A 28 -9.942 -8.158 -3.456 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.144 -7.256 -3.748 1.00 0.00 C ATOM 456 CG2 ILE A 28 -9.592 -8.996 -4.677 1.00 0.00 C ATOM 457 CD1 ILE A 28 -10.918 -6.300 -4.897 1.00 0.00 C ATOM 0 H ILE A 28 -12.321 -9.132 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.494 -9.864 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.086 -7.526 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.010 -7.879 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.384 -6.684 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.387 -8.339 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.709 -9.599 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.428 -9.651 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.811 -5.693 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.072 -5.651 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.708 -6.865 -5.805 1.00 0.00 H new ATOM 469 N PRO A 29 -8.978 -8.212 -0.297 1.00 0.00 N ATOM 470 CA PRO A 29 -8.795 -7.437 0.935 1.00 0.00 C ATOM 471 C PRO A 29 -9.162 -5.967 0.753 1.00 0.00 C ATOM 472 O PRO A 29 -9.275 -5.483 -0.372 1.00 0.00 O ATOM 473 CB PRO A 29 -7.300 -7.581 1.234 1.00 0.00 C ATOM 474 CG PRO A 29 -6.895 -8.842 0.554 1.00 0.00 C ATOM 475 CD PRO A 29 -7.747 -8.934 -0.680 1.00 0.00 C ATOM 0 HA PRO A 29 -9.438 -7.796 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.737 -6.728 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.115 -7.633 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.836 -8.825 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.052 -9.704 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.261 -8.473 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.955 -9.970 -0.949 1.00 0.00 H new ATOM 483 N ASN A 30 -9.348 -5.263 1.865 1.00 0.00 N ATOM 484 CA ASN A 30 -9.701 -3.848 1.825 1.00 0.00 C ATOM 485 C ASN A 30 -8.629 -3.040 1.100 1.00 0.00 C ATOM 486 O ASN A 30 -8.928 -2.039 0.447 1.00 0.00 O ATOM 487 CB ASN A 30 -9.892 -3.307 3.242 1.00 0.00 C ATOM 488 CG ASN A 30 -10.784 -4.195 4.088 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.312 -4.898 4.980 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.082 -4.167 3.810 1.00 0.00 N ATOM 0 H ASN A 30 -9.260 -5.649 2.805 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.638 -3.749 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.919 -3.210 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.324 -2.307 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.731 -4.744 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.430 -3.569 3.061 1.00 0.00 H new ATOM 497 N LEU A 31 -7.381 -3.481 1.219 1.00 0.00 N ATOM 498 CA LEU A 31 -6.266 -2.796 0.574 1.00 0.00 C ATOM 499 C LEU A 31 -6.412 -2.827 -0.942 1.00 0.00 C ATOM 500 O LEU A 31 -6.412 -1.785 -1.598 1.00 0.00 O ATOM 501 CB LEU A 31 -4.940 -3.439 0.984 1.00 0.00 C ATOM 502 CG LEU A 31 -3.695 -2.802 0.367 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.429 -1.440 0.990 1.00 0.00 C ATOM 504 CD2 LEU A 31 -2.488 -3.715 0.540 1.00 0.00 C ATOM 0 H LEU A 31 -7.116 -4.308 1.755 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.274 -1.756 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.852 -3.395 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.964 -4.493 0.709 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.871 -2.663 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.539 -1.001 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.284 -0.787 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.273 -1.555 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.610 -3.246 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.310 -3.885 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.679 -4.668 0.047 1.00 0.00 H new ATOM 516 N VAL A 32 -6.538 -4.029 -1.496 1.00 0.00 N ATOM 517 CA VAL A 32 -6.688 -4.194 -2.937 1.00 0.00 C ATOM 518 C VAL A 32 -7.951 -3.504 -3.439 1.00 0.00 C ATOM 519 O VAL A 32 -7.943 -2.857 -4.486 1.00 0.00 O ATOM 520 CB VAL A 32 -6.741 -5.681 -3.334 1.00 0.00 C ATOM 521 CG1 VAL A 32 -6.668 -5.835 -4.845 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.620 -6.459 -2.658 1.00 0.00 C ATOM 0 H VAL A 32 -6.539 -4.902 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.814 -3.734 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.692 -6.092 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.707 -6.893 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.510 -5.317 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.735 -5.406 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.676 -7.507 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.657 -6.048 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.723 -6.380 -1.576 1.00 0.00 H new ATOM 532 N ALA A 33 -9.035 -3.646 -2.685 1.00 0.00 N ATOM 533 CA ALA A 33 -10.307 -3.037 -3.053 1.00 0.00 C ATOM 534 C ALA A 33 -10.226 -1.515 -2.985 1.00 0.00 C ATOM 535 O ALA A 33 -10.815 -0.817 -3.808 1.00 0.00 O ATOM 536 CB ALA A 33 -11.417 -3.548 -2.149 1.00 0.00 C ATOM 0 H ALA A 33 -9.058 -4.178 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.533 -3.318 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.361 -3.085 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.499 -4.630 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.188 -3.296 -1.114 1.00 0.00 H new ATOM 542 N ARG A 34 -9.488 -1.009 -2.002 1.00 0.00 N ATOM 543 CA ARG A 34 -9.330 0.430 -1.834 1.00 0.00 C ATOM 544 C ARG A 34 -8.689 1.050 -3.072 1.00 0.00 C ATOM 545 O ARG A 34 -9.009 2.177 -3.450 1.00 0.00 O ATOM 546 CB ARG A 34 -8.487 0.731 -0.589 1.00 0.00 C ATOM 547 CG ARG A 34 -9.314 1.171 0.608 1.00 0.00 C ATOM 548 CD ARG A 34 -8.470 1.261 1.868 1.00 0.00 C ATOM 549 NE ARG A 34 -7.706 2.507 1.928 1.00 0.00 N ATOM 550 CZ ARG A 34 -7.016 2.909 2.997 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.991 2.174 4.104 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.350 4.055 2.958 1.00 0.00 N ATOM 0 H ARG A 34 -8.992 -1.573 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.318 0.871 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.918 -0.159 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.764 1.511 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.766 2.141 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.130 0.466 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.116 1.189 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.785 0.414 1.907 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.700 3.105 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.503 1.292 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.460 2.491 4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.366 4.626 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.821 4.366 3.773 1.00 0.00 H new ATOM 566 N GLN A 35 -7.789 0.304 -3.703 1.00 0.00 N ATOM 567 CA GLN A 35 -7.109 0.777 -4.903 1.00 0.00 C ATOM 568 C GLN A 35 -8.113 1.048 -6.017 1.00 0.00 C ATOM 569 O GLN A 35 -7.959 1.997 -6.788 1.00 0.00 O ATOM 570 CB GLN A 35 -6.076 -0.248 -5.371 1.00 0.00 C ATOM 571 CG GLN A 35 -4.828 -0.293 -4.504 1.00 0.00 C ATOM 572 CD GLN A 35 -3.548 -0.204 -5.313 1.00 0.00 C ATOM 573 OE1 GLN A 35 -2.869 -1.206 -5.534 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.213 1.001 -5.758 1.00 0.00 N ATOM 0 H GLN A 35 -7.513 -0.631 -3.403 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.597 1.708 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.536 -1.236 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.788 -0.019 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.858 0.529 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.825 -1.218 -3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.806 1.804 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.362 1.123 -6.307 1.00 0.00 H new ATOM 583 N ILE A 36 -9.143 0.213 -6.093 1.00 0.00 N ATOM 584 CA ILE A 36 -10.174 0.367 -7.110 1.00 0.00 C ATOM 585 C ILE A 36 -10.929 1.678 -6.912 1.00 0.00 C ATOM 586 O ILE A 36 -10.959 2.528 -7.800 1.00 0.00 O ATOM 587 CB ILE A 36 -11.171 -0.811 -7.086 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.423 -2.143 -7.166 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.172 -0.694 -8.227 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.332 -3.353 -7.132 1.00 0.00 C ATOM 0 H ILE A 36 -9.285 -0.576 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.676 0.378 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.720 -0.776 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.836 -2.166 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.719 -2.205 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.865 -1.535 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.728 0.239 -8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.641 -0.702 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.732 -4.261 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.900 -3.355 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.019 -3.316 -7.977 1.00 0.00 H new ATOM 602 N VAL A 37 -11.528 1.836 -5.738 1.00 0.00 N ATOM 603 CA VAL A 37 -12.271 3.049 -5.421 1.00 0.00 C ATOM 604 C VAL A 37 -11.348 4.262 -5.443 1.00 0.00 C ATOM 605 O VAL A 37 -11.728 5.337 -5.909 1.00 0.00 O ATOM 606 CB VAL A 37 -12.944 2.950 -4.038 1.00 0.00 C ATOM 607 CG1 VAL A 37 -13.827 4.161 -3.781 1.00 0.00 C ATOM 608 CG2 VAL A 37 -13.748 1.663 -3.930 1.00 0.00 C ATOM 0 H VAL A 37 -11.514 1.141 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.045 3.164 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.165 2.933 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.292 4.070 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.221 5.067 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.602 4.215 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.217 1.608 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.518 1.649 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.086 0.808 -4.064 1.00 0.00 H new ATOM 618 N ASN A 38 -10.131 4.081 -4.939 1.00 0.00 N ATOM 619 CA ASN A 38 -9.147 5.156 -4.904 1.00 0.00 C ATOM 620 C ASN A 38 -8.837 5.649 -6.314 1.00 0.00 C ATOM 621 O ASN A 38 -8.616 6.840 -6.531 1.00 0.00 O ATOM 622 CB ASN A 38 -7.861 4.679 -4.225 1.00 0.00 C ATOM 623 CG ASN A 38 -7.993 4.618 -2.715 1.00 0.00 C ATOM 624 OD1 ASN A 38 -9.070 4.343 -2.185 1.00 0.00 O ATOM 625 ND2 ASN A 38 -6.895 4.872 -2.013 1.00 0.00 N ATOM 0 H ASN A 38 -9.803 3.198 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.566 5.982 -4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.598 3.692 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.044 5.350 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.923 4.843 -0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.023 5.096 -2.493 1.00 0.00 H new ATOM 632 N SER A 39 -8.829 4.724 -7.269 1.00 0.00 N ATOM 633 CA SER A 39 -8.553 5.065 -8.660 1.00 0.00 C ATOM 634 C SER A 39 -9.654 5.956 -9.227 1.00 0.00 C ATOM 635 O SER A 39 -9.402 6.794 -10.091 1.00 0.00 O ATOM 636 CB SER A 39 -8.427 3.794 -9.502 1.00 0.00 C ATOM 637 OG SER A 39 -7.648 4.026 -10.664 1.00 0.00 O ATOM 0 H SER A 39 -9.010 3.734 -7.105 1.00 0.00 H new ATOM 0 HA SER A 39 -7.611 5.612 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.971 3.003 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.419 3.445 -9.789 1.00 0.00 H new ATOM 0 HG SER A 39 -7.581 3.198 -11.184 1.00 0.00 H new ATOM 643 N CYS A 40 -10.872 5.768 -8.731 1.00 0.00 N ATOM 644 CA CYS A 40 -12.011 6.556 -9.188 1.00 0.00 C ATOM 645 C CYS A 40 -11.861 8.017 -8.775 1.00 0.00 C ATOM 646 O CYS A 40 -11.633 8.322 -7.605 1.00 0.00 O ATOM 647 CB CYS A 40 -13.312 5.984 -8.624 1.00 0.00 C ATOM 648 SG CYS A 40 -14.803 6.767 -9.281 1.00 0.00 S ATOM 0 H CYS A 40 -11.096 5.078 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.043 6.507 -10.276 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.350 4.916 -8.838 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.305 6.092 -7.539 1.00 0.00 H new ATOM 0 HG CYS A 40 -15.700 6.846 -8.344 1.00 0.00 H new ATOM 653 N ALA A 41 -11.991 8.917 -9.745 1.00 0.00 N ATOM 654 CA ALA A 41 -11.867 10.347 -9.483 1.00 0.00 C ATOM 655 C ALA A 41 -13.156 10.916 -8.900 1.00 0.00 C ATOM 656 O ALA A 41 -13.126 11.691 -7.944 1.00 0.00 O ATOM 657 CB ALA A 41 -11.494 11.084 -10.761 1.00 0.00 C ATOM 0 H ALA A 41 -12.182 8.682 -10.719 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.076 10.489 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.404 12.150 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.542 10.706 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.268 10.925 -11.512 1.00 0.00 H new ATOM 663 N GLN A 42 -14.284 10.530 -9.485 1.00 0.00 N ATOM 664 CA GLN A 42 -15.585 11.006 -9.025 1.00 0.00 C ATOM 665 C GLN A 42 -15.824 10.623 -7.568 1.00 0.00 C ATOM 666 O GLN A 42 -16.509 11.335 -6.834 1.00 0.00 O ATOM 667 CB GLN A 42 -16.699 10.436 -9.903 1.00 0.00 C ATOM 668 CG GLN A 42 -18.042 11.115 -9.695 1.00 0.00 C ATOM 669 CD GLN A 42 -18.891 11.123 -10.951 1.00 0.00 C ATOM 670 OE1 GLN A 42 -19.865 10.376 -11.060 1.00 0.00 O ATOM 671 NE2 GLN A 42 -18.527 11.969 -11.909 1.00 0.00 N ATOM 0 H GLN A 42 -14.325 9.890 -10.278 1.00 0.00 H new ATOM 0 HA GLN A 42 -15.592 12.093 -9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.411 10.532 -10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -16.804 9.371 -9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -18.583 10.605 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -17.879 12.141 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -17.713 12.570 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -19.061 12.018 -12.776 1.00 0.00 H new ATOM 680 N CYS A 43 -15.252 9.498 -7.154 1.00 0.00 N ATOM 681 CA CYS A 43 -15.401 9.026 -5.780 1.00 0.00 C ATOM 682 C CYS A 43 -14.341 9.637 -4.869 1.00 0.00 C ATOM 683 O CYS A 43 -14.608 9.936 -3.708 1.00 0.00 O ATOM 684 CB CYS A 43 -15.332 7.499 -5.727 1.00 0.00 C ATOM 685 SG CYS A 43 -16.887 6.675 -6.145 1.00 0.00 S ATOM 0 H CYS A 43 -14.682 8.896 -7.748 1.00 0.00 H new ATOM 0 HA CYS A 43 -16.379 9.345 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -14.556 7.157 -6.412 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -15.029 7.194 -4.725 1.00 0.00 H new ATOM 0 HG CYS A 43 -16.644 5.652 -6.910 1.00 0.00 H new ATOM 690 N GLN A 44 -13.139 9.825 -5.405 1.00 0.00 N ATOM 691 CA GLN A 44 -12.049 10.408 -4.634 1.00 0.00 C ATOM 692 C GLN A 44 -12.403 11.827 -4.201 1.00 0.00 C ATOM 693 O GLN A 44 -12.506 12.120 -3.009 1.00 0.00 O ATOM 694 CB GLN A 44 -10.758 10.417 -5.456 1.00 0.00 C ATOM 695 CG GLN A 44 -9.873 9.207 -5.212 1.00 0.00 C ATOM 696 CD GLN A 44 -8.412 9.494 -5.490 1.00 0.00 C ATOM 697 OE1 GLN A 44 -8.015 9.373 -6.753 1.00 0.00 O flip ATOM 698 NE2 GLN A 44 -7.645 9.821 -4.583 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.897 9.583 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.893 9.798 -3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.012 10.463 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.195 11.321 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.986 8.880 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.205 8.384 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.991 9.902 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.664 10.011 -4.788 1.00 0.00 H new ATOM 845 N GLU B 6 3.585 -7.006 4.135 1.00 0.00 N ATOM 846 CA GLU B 6 4.087 -6.219 5.262 1.00 0.00 C ATOM 847 C GLU B 6 5.621 -6.229 5.308 1.00 0.00 C ATOM 848 O GLU B 6 6.249 -5.171 5.341 1.00 0.00 O ATOM 849 CB GLU B 6 3.516 -6.739 6.581 1.00 0.00 C ATOM 850 CG GLU B 6 2.247 -6.023 7.014 1.00 0.00 C ATOM 851 CD GLU B 6 1.901 -6.279 8.469 1.00 0.00 C ATOM 852 OE1 GLU B 6 1.765 -7.461 8.847 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.765 -5.296 9.227 1.00 0.00 O ATOM 0 HA GLU B 6 3.758 -5.190 5.119 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.308 -7.804 6.483 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.269 -6.632 7.362 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.367 -4.951 6.856 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.418 -6.347 6.385 1.00 0.00 H new ATOM 860 N PRO B 7 6.250 -7.424 5.298 1.00 0.00 N ATOM 861 CA PRO B 7 7.714 -7.544 5.328 1.00 0.00 C ATOM 862 C PRO B 7 8.391 -6.632 4.310 1.00 0.00 C ATOM 863 O PRO B 7 9.439 -6.048 4.584 1.00 0.00 O ATOM 864 CB PRO B 7 7.955 -9.010 4.969 1.00 0.00 C ATOM 865 CG PRO B 7 6.729 -9.716 5.426 1.00 0.00 C ATOM 866 CD PRO B 7 5.594 -8.747 5.251 1.00 0.00 C ATOM 0 HA PRO B 7 8.127 -7.252 6.293 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.108 -9.135 3.897 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.844 -9.398 5.466 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.561 -10.621 4.842 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.822 -10.022 6.468 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.077 -8.904 4.304 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.851 -8.854 6.042 1.00 0.00 H new ATOM 874 N ALA B 8 7.782 -6.518 3.135 1.00 0.00 N ATOM 875 CA ALA B 8 8.320 -5.677 2.074 1.00 0.00 C ATOM 876 C ALA B 8 8.302 -4.210 2.483 1.00 0.00 C ATOM 877 O ALA B 8 9.226 -3.459 2.174 1.00 0.00 O ATOM 878 CB ALA B 8 7.538 -5.886 0.786 1.00 0.00 C ATOM 0 H ALA B 8 6.915 -6.998 2.894 1.00 0.00 H new ATOM 0 HA ALA B 8 9.357 -5.965 1.900 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.951 -5.251 0.002 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.610 -6.930 0.482 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.492 -5.626 0.949 1.00 0.00 H new ATOM 884 N GLN B 9 7.247 -3.809 3.184 1.00 0.00 N ATOM 885 CA GLN B 9 7.114 -2.431 3.641 1.00 0.00 C ATOM 886 C GLN B 9 8.242 -2.074 4.602 1.00 0.00 C ATOM 887 O GLN B 9 8.719 -0.938 4.622 1.00 0.00 O ATOM 888 CB GLN B 9 5.759 -2.222 4.320 1.00 0.00 C ATOM 889 CG GLN B 9 4.632 -1.927 3.343 1.00 0.00 C ATOM 890 CD GLN B 9 3.261 -2.195 3.936 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.996 -1.865 5.092 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.382 -2.801 3.144 1.00 0.00 N ATOM 0 H GLN B 9 6.472 -4.418 3.448 1.00 0.00 H new ATOM 0 HA GLN B 9 7.176 -1.775 2.772 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.508 -3.114 4.894 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.840 -1.398 5.029 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.691 -0.885 3.030 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.762 -2.536 2.449 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.645 -3.057 2.192 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.445 -3.010 3.488 1.00 0.00 H new ATOM 901 N GLU B 10 8.669 -3.052 5.393 1.00 0.00 N ATOM 902 CA GLU B 10 9.748 -2.844 6.353 1.00 0.00 C ATOM 903 C GLU B 10 11.083 -2.696 5.630 1.00 0.00 C ATOM 904 O GLU B 10 11.961 -1.954 6.068 1.00 0.00 O ATOM 905 CB GLU B 10 9.814 -4.010 7.342 1.00 0.00 C ATOM 906 CG GLU B 10 8.871 -3.856 8.524 1.00 0.00 C ATOM 907 CD GLU B 10 9.152 -2.608 9.335 1.00 0.00 C ATOM 908 OE1 GLU B 10 10.338 -2.332 9.608 1.00 0.00 O ATOM 909 OE2 GLU B 10 8.185 -1.905 9.698 1.00 0.00 O ATOM 0 H GLU B 10 8.285 -3.997 5.389 1.00 0.00 H new ATOM 0 HA GLU B 10 9.545 -1.926 6.905 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.578 -4.935 6.817 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.835 -4.105 7.712 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.843 -3.826 8.162 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.957 -4.731 9.169 1.00 0.00 H new ATOM 916 N GLU B 11 11.223 -3.409 4.516 1.00 0.00 N ATOM 917 CA GLU B 11 12.445 -3.358 3.722 1.00 0.00 C ATOM 918 C GLU B 11 12.610 -1.994 3.070 1.00 0.00 C ATOM 919 O GLU B 11 13.717 -1.460 3.007 1.00 0.00 O ATOM 920 CB GLU B 11 12.427 -4.454 2.652 1.00 0.00 C ATOM 921 CG GLU B 11 13.673 -4.477 1.784 1.00 0.00 C ATOM 922 CD GLU B 11 14.907 -4.915 2.546 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.761 -5.681 3.522 1.00 0.00 O ATOM 924 OE2 GLU B 11 16.021 -4.492 2.169 1.00 0.00 O ATOM 0 H GLU B 11 10.504 -4.029 4.143 1.00 0.00 H new ATOM 0 HA GLU B 11 13.292 -3.525 4.388 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.315 -5.423 3.138 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.553 -4.314 2.015 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.512 -5.151 0.942 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.841 -3.483 1.369 1.00 0.00 H new ATOM 931 N HIS B 12 11.510 -1.425 2.590 1.00 0.00 N ATOM 932 CA HIS B 12 11.564 -0.118 1.955 1.00 0.00 C ATOM 933 C HIS B 12 11.940 0.958 2.973 1.00 0.00 C ATOM 934 O HIS B 12 12.695 1.875 2.670 1.00 0.00 O ATOM 935 CB HIS B 12 10.231 0.243 1.284 1.00 0.00 C ATOM 936 CG HIS B 12 10.294 1.570 0.593 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.253 1.740 -0.774 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.525 2.791 1.120 1.00 0.00 C ATOM 939 CE1 HIS B 12 10.477 3.039 -1.028 1.00 0.00 C ATOM 940 NE2 HIS B 12 10.649 3.713 0.091 1.00 0.00 N ATOM 0 H HIS B 12 10.581 -1.844 2.628 1.00 0.00 H new ATOM 0 HA HIS B 12 12.330 -0.165 1.181 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.967 -0.530 0.562 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.440 0.262 2.034 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.083 1.011 -1.467 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.601 3.014 2.174 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.512 3.473 -2.016 1.00 0.00 H new ATOM 948 N GLU B 13 11.397 0.849 4.175 1.00 0.00 N ATOM 949 CA GLU B 13 11.670 1.823 5.224 1.00 0.00 C ATOM 950 C GLU B 13 13.141 1.815 5.654 1.00 0.00 C ATOM 951 O GLU B 13 13.581 2.713 6.373 1.00 0.00 O ATOM 952 CB GLU B 13 10.779 1.553 6.437 1.00 0.00 C ATOM 953 CG GLU B 13 9.358 2.066 6.275 1.00 0.00 C ATOM 954 CD GLU B 13 8.526 1.886 7.531 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.058 0.754 7.774 1.00 0.00 O ATOM 956 OE2 GLU B 13 8.345 2.875 8.271 1.00 0.00 O ATOM 0 H GLU B 13 10.765 0.097 4.450 1.00 0.00 H new ATOM 0 HA GLU B 13 11.450 2.809 4.814 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.750 0.480 6.624 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.226 2.017 7.316 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.385 3.123 6.010 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.879 1.542 5.448 1.00 0.00 H new ATOM 963 N LYS B 14 13.901 0.799 5.238 1.00 0.00 N ATOM 964 CA LYS B 14 15.305 0.702 5.623 1.00 0.00 C ATOM 965 C LYS B 14 16.258 1.131 4.505 1.00 0.00 C ATOM 966 O LYS B 14 17.380 1.555 4.779 1.00 0.00 O ATOM 967 CB LYS B 14 15.634 -0.730 6.049 1.00 0.00 C ATOM 968 CG LYS B 14 14.713 -1.273 7.128 1.00 0.00 C ATOM 969 CD LYS B 14 14.644 -2.791 7.088 1.00 0.00 C ATOM 970 CE LYS B 14 15.811 -3.421 7.835 1.00 0.00 C ATOM 971 NZ LYS B 14 15.861 -4.897 7.641 1.00 0.00 N ATOM 0 H LYS B 14 13.570 0.041 4.641 1.00 0.00 H new ATOM 0 HA LYS B 14 15.450 1.389 6.457 1.00 0.00 H new ATOM 0 HB2 LYS B 14 15.580 -1.381 5.176 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.662 -0.765 6.410 1.00 0.00 H new ATOM 0 HG2 LYS B 14 15.067 -0.949 8.107 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.713 -0.859 6.997 1.00 0.00 H new ATOM 0 HD2 LYS B 14 13.705 -3.126 7.529 1.00 0.00 H new ATOM 0 HD3 LYS B 14 14.648 -3.130 6.052 1.00 0.00 H new ATOM 0 HE2 LYS B 14 16.745 -2.977 7.490 1.00 0.00 H new ATOM 0 HE3 LYS B 14 15.725 -3.197 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 16.669 -5.289 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 14.980 -5.323 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.969 -5.111 6.629 1.00 0.00 H new ATOM 985 N TYR B 15 15.837 0.997 3.248 1.00 0.00 N ATOM 986 CA TYR B 15 16.706 1.356 2.125 1.00 0.00 C ATOM 987 C TYR B 15 15.944 1.994 0.960 1.00 0.00 C ATOM 988 O TYR B 15 16.477 2.098 -0.145 1.00 0.00 O ATOM 989 CB TYR B 15 17.432 0.105 1.629 1.00 0.00 C ATOM 990 CG TYR B 15 18.008 -0.740 2.742 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.287 -0.501 3.224 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.273 -1.775 3.314 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.823 -1.267 4.242 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.803 -2.545 4.332 1.00 0.00 C ATOM 995 CZ TYR B 15 19.077 -2.288 4.792 1.00 0.00 C ATOM 996 OH TYR B 15 19.606 -3.052 5.805 1.00 0.00 O ATOM 0 H TYR B 15 14.916 0.649 2.983 1.00 0.00 H new ATOM 0 HA TYR B 15 17.414 2.099 2.491 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.738 -0.501 1.046 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.237 0.404 0.957 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.874 0.298 2.796 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.274 -1.979 2.957 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.820 -1.067 4.605 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.221 -3.345 4.766 1.00 0.00 H new ATOM 0 HH TYR B 15 18.952 -3.727 6.081 1.00 0.00 H new ATOM 1006 N HIS B 16 14.700 2.412 1.200 1.00 0.00 N ATOM 1007 CA HIS B 16 13.861 3.029 0.161 1.00 0.00 C ATOM 1008 C HIS B 16 13.948 2.273 -1.167 1.00 0.00 C ATOM 1009 O HIS B 16 14.074 2.873 -2.233 1.00 0.00 O ATOM 1010 CB HIS B 16 14.225 4.502 -0.044 1.00 0.00 C ATOM 1011 CG HIS B 16 13.939 5.365 1.148 1.00 0.00 C ATOM 1012 ND1 HIS B 16 12.688 5.899 1.385 1.00 0.00 N ATOM 1013 CD2 HIS B 16 14.777 5.765 2.135 1.00 0.00 C ATOM 1014 CE1 HIS B 16 12.794 6.598 2.499 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.042 6.547 2.991 1.00 0.00 N ATOM 0 H HIS B 16 14.245 2.335 2.110 1.00 0.00 H new ATOM 0 HA HIS B 16 12.831 2.971 0.513 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.285 4.575 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS B 16 13.673 4.888 -0.901 1.00 0.00 H new ATOM 0 HD1 HIS B 16 11.851 5.778 0.814 1.00 0.00 H new ATOM 0 HD2 HIS B 16 15.824 5.516 2.230 1.00 0.00 H new ATOM 0 HE1 HIS B 16 11.981 7.142 2.957 1.00 0.00 H new ATOM 1023 N SER B 17 13.883 0.947 -1.083 1.00 0.00 N ATOM 1024 CA SER B 17 13.956 0.093 -2.263 1.00 0.00 C ATOM 1025 C SER B 17 12.852 0.436 -3.261 1.00 0.00 C ATOM 1026 O SER B 17 11.811 0.979 -2.890 1.00 0.00 O ATOM 1027 CB SER B 17 13.855 -1.376 -1.853 1.00 0.00 C ATOM 1028 OG SER B 17 15.098 -1.859 -1.375 1.00 0.00 O ATOM 0 H SER B 17 13.779 0.439 -0.204 1.00 0.00 H new ATOM 0 HA SER B 17 14.917 0.266 -2.748 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.096 -1.489 -1.079 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.533 -1.973 -2.706 1.00 0.00 H new ATOM 0 HG SER B 17 15.006 -2.800 -1.118 1.00 0.00 H new ATOM 1034 N ASN B 18 13.088 0.111 -4.529 1.00 0.00 N ATOM 1035 CA ASN B 18 12.118 0.380 -5.586 1.00 0.00 C ATOM 1036 C ASN B 18 11.172 -0.804 -5.770 1.00 0.00 C ATOM 1037 O ASN B 18 11.363 -1.863 -5.173 1.00 0.00 O ATOM 1038 CB ASN B 18 12.835 0.680 -6.903 1.00 0.00 C ATOM 1039 CG ASN B 18 13.479 2.053 -6.910 1.00 0.00 C ATOM 1040 OD1 ASN B 18 13.028 2.966 -6.220 1.00 0.00 O ATOM 1041 ND2 ASN B 18 14.537 2.204 -7.697 1.00 0.00 N ATOM 0 H ASN B 18 13.945 -0.340 -4.850 1.00 0.00 H new ATOM 0 HA ASN B 18 11.532 1.251 -5.292 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.599 -0.078 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.123 0.611 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN B 18 15.011 3.106 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN B 18 14.876 1.418 -8.252 1.00 0.00 H new ATOM 1048 N VAL B 19 10.152 -0.620 -6.607 1.00 0.00 N ATOM 1049 CA VAL B 19 9.174 -1.672 -6.875 1.00 0.00 C ATOM 1050 C VAL B 19 9.854 -2.953 -7.347 1.00 0.00 C ATOM 1051 O VAL B 19 9.651 -4.022 -6.770 1.00 0.00 O ATOM 1052 CB VAL B 19 8.149 -1.225 -7.940 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.064 -2.278 -8.127 1.00 0.00 C ATOM 1054 CG2 VAL B 19 7.539 0.115 -7.560 1.00 0.00 C ATOM 0 H VAL B 19 9.982 0.250 -7.112 1.00 0.00 H new ATOM 0 HA VAL B 19 8.655 -1.867 -5.937 1.00 0.00 H new ATOM 0 HB VAL B 19 8.672 -1.109 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.355 -1.939 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.518 -3.215 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.542 -2.434 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.819 0.416 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.034 0.025 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.326 0.866 -7.488 1.00 0.00 H new ATOM 1064 N LYS B 20 10.661 -2.840 -8.397 1.00 0.00 N ATOM 1065 CA LYS B 20 11.372 -3.991 -8.947 1.00 0.00 C ATOM 1066 C LYS B 20 12.210 -4.685 -7.877 1.00 0.00 C ATOM 1067 O LYS B 20 12.463 -5.888 -7.956 1.00 0.00 O ATOM 1068 CB LYS B 20 12.266 -3.558 -10.112 1.00 0.00 C ATOM 1069 CG LYS B 20 12.956 -4.719 -10.818 1.00 0.00 C ATOM 1070 CD LYS B 20 14.459 -4.724 -10.571 1.00 0.00 C ATOM 1071 CE LYS B 20 15.239 -4.977 -11.855 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.801 -3.720 -12.420 1.00 0.00 N ATOM 0 H LYS B 20 10.840 -1.962 -8.885 1.00 0.00 H new ATOM 0 HA LYS B 20 10.629 -4.700 -9.311 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.664 -3.010 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.024 -2.868 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.528 -5.660 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.765 -4.657 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.761 -3.768 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS B 20 14.705 -5.492 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS B 20 16.049 -5.679 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS B 20 14.585 -5.445 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 16.324 -3.935 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.027 -3.059 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.445 -3.286 -11.728 1.00 0.00 H new ATOM 1086 N GLU B 21 12.630 -3.924 -6.871 1.00 0.00 N ATOM 1087 CA GLU B 21 13.430 -4.473 -5.784 1.00 0.00 C ATOM 1088 C GLU B 21 12.542 -5.214 -4.789 1.00 0.00 C ATOM 1089 O GLU B 21 12.851 -6.334 -4.382 1.00 0.00 O ATOM 1090 CB GLU B 21 14.200 -3.361 -5.074 1.00 0.00 C ATOM 1091 CG GLU B 21 15.269 -3.876 -4.125 1.00 0.00 C ATOM 1092 CD GLU B 21 16.447 -4.494 -4.858 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.290 -5.610 -5.395 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.523 -3.862 -4.891 1.00 0.00 O ATOM 0 H GLU B 21 12.430 -2.927 -6.787 1.00 0.00 H new ATOM 0 HA GLU B 21 14.145 -5.179 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.667 -2.719 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.497 -2.742 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.623 -3.055 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.831 -4.618 -3.457 1.00 0.00 H new ATOM 1101 N LEU B 22 11.432 -4.587 -4.406 1.00 0.00 N ATOM 1102 CA LEU B 22 10.501 -5.197 -3.467 1.00 0.00 C ATOM 1103 C LEU B 22 9.835 -6.419 -4.092 1.00 0.00 C ATOM 1104 O LEU B 22 9.588 -7.417 -3.417 1.00 0.00 O ATOM 1105 CB LEU B 22 9.424 -4.190 -3.035 1.00 0.00 C ATOM 1106 CG LEU B 22 9.828 -3.185 -1.944 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.569 -3.869 -0.804 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.670 -2.066 -2.533 1.00 0.00 C ATOM 0 H LEU B 22 11.158 -3.660 -4.732 1.00 0.00 H new ATOM 0 HA LEU B 22 11.067 -5.507 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.107 -3.630 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.557 -4.748 -2.682 1.00 0.00 H new ATOM 0 HG LEU B 22 8.914 -2.755 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.840 -3.129 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.926 -4.626 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.472 -4.342 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.946 -1.365 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.572 -2.485 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.097 -1.544 -3.299 1.00 0.00 H new ATOM 1120 N SER B 23 9.541 -6.329 -5.387 1.00 0.00 N ATOM 1121 CA SER B 23 8.896 -7.427 -6.103 1.00 0.00 C ATOM 1122 C SER B 23 9.876 -8.568 -6.363 1.00 0.00 C ATOM 1123 O SER B 23 9.512 -9.740 -6.283 1.00 0.00 O ATOM 1124 CB SER B 23 8.321 -6.924 -7.426 1.00 0.00 C ATOM 1125 OG SER B 23 7.427 -5.843 -7.217 1.00 0.00 O ATOM 0 H SER B 23 9.739 -5.509 -5.961 1.00 0.00 H new ATOM 0 HA SER B 23 8.088 -7.808 -5.479 1.00 0.00 H new ATOM 0 HB2 SER B 23 9.132 -6.607 -8.081 1.00 0.00 H new ATOM 0 HB3 SER B 23 7.801 -7.737 -7.932 1.00 0.00 H new ATOM 0 HG SER B 23 6.526 -6.191 -7.049 1.00 0.00 H new ATOM 1131 N HIS B 24 11.120 -8.219 -6.677 1.00 0.00 N ATOM 1132 CA HIS B 24 12.148 -9.217 -6.953 1.00 0.00 C ATOM 1133 C HIS B 24 12.721 -9.787 -5.659 1.00 0.00 C ATOM 1134 O HIS B 24 13.080 -10.964 -5.592 1.00 0.00 O ATOM 1135 CB HIS B 24 13.268 -8.603 -7.800 1.00 0.00 C ATOM 1136 CG HIS B 24 14.374 -9.560 -8.128 1.00 0.00 C ATOM 1137 ND1 HIS B 24 14.313 -10.378 -9.228 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.536 -9.789 -7.469 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.430 -11.082 -9.219 1.00 0.00 C ATOM 1140 NE2 HIS B 24 16.203 -10.760 -8.171 1.00 0.00 N ATOM 0 H HIS B 24 11.440 -7.253 -6.747 1.00 0.00 H new ATOM 0 HA HIS B 24 11.687 -10.033 -7.509 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.842 -8.223 -8.729 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.686 -7.748 -7.268 1.00 0.00 H new ATOM 0 HD2 HIS B 24 15.872 -9.301 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.688 -11.823 -9.961 1.00 0.00 H new ATOM 0 HE2 HIS B 24 17.112 -11.161 -7.941 1.00 0.00 H new ATOM 1148 N LYS B 25 12.814 -8.945 -4.634 1.00 0.00 N ATOM 1149 CA LYS B 25 13.353 -9.368 -3.348 1.00 0.00 C ATOM 1150 C LYS B 25 12.351 -10.224 -2.577 1.00 0.00 C ATOM 1151 O LYS B 25 12.736 -11.079 -1.780 1.00 0.00 O ATOM 1152 CB LYS B 25 13.749 -8.151 -2.511 1.00 0.00 C ATOM 1153 CG LYS B 25 14.553 -8.504 -1.271 1.00 0.00 C ATOM 1154 CD LYS B 25 13.656 -8.689 -0.059 1.00 0.00 C ATOM 1155 CE LYS B 25 14.243 -9.690 0.921 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.148 -11.088 0.413 1.00 0.00 N ATOM 0 H LYS B 25 12.523 -7.968 -4.670 1.00 0.00 H new ATOM 0 HA LYS B 25 14.238 -9.974 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.331 -7.468 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.847 -7.618 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.117 -9.419 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.279 -7.716 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.514 -7.730 0.440 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.672 -9.029 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.288 -9.443 1.110 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.720 -9.614 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 13.961 -11.734 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.373 -11.155 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.043 -11.353 -0.045 1.00 0.00 H new ATOM 1170 N PHE B 26 11.065 -9.982 -2.809 1.00 0.00 N ATOM 1171 CA PHE B 26 10.013 -10.731 -2.126 1.00 0.00 C ATOM 1172 C PHE B 26 9.200 -11.563 -3.112 1.00 0.00 C ATOM 1173 O PHE B 26 9.303 -12.791 -3.133 1.00 0.00 O ATOM 1174 CB PHE B 26 9.098 -9.772 -1.363 1.00 0.00 C ATOM 1175 CG PHE B 26 9.778 -9.106 -0.203 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.762 -9.688 1.054 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.437 -7.898 -0.371 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.393 -9.080 2.123 1.00 0.00 C ATOM 1179 CE2 PHE B 26 11.069 -7.286 0.694 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.047 -7.878 1.942 1.00 0.00 C ATOM 0 H PHE B 26 10.726 -9.276 -3.462 1.00 0.00 H new ATOM 0 HA PHE B 26 10.485 -11.413 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.730 -9.008 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.228 -10.320 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.250 -10.628 1.200 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.456 -7.431 -1.344 1.00 0.00 H new ATOM 0 HE1 PHE B 26 10.374 -9.544 3.098 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.580 -6.345 0.551 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.541 -7.401 2.775 1.00 0.00 H new ATOM 1190 N GLY B 27 8.392 -10.893 -3.928 1.00 0.00 N ATOM 1191 CA GLY B 27 7.577 -11.596 -4.902 1.00 0.00 C ATOM 1192 C GLY B 27 6.167 -11.048 -4.981 1.00 0.00 C ATOM 1193 O GLY B 27 5.209 -11.724 -4.604 1.00 0.00 O ATOM 0 H GLY B 27 8.287 -9.878 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.047 -11.525 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.538 -12.654 -4.643 1.00 0.00 H new ATOM 1197 N ILE B 28 6.037 -9.819 -5.474 1.00 0.00 N ATOM 1198 CA ILE B 28 4.734 -9.180 -5.602 1.00 0.00 C ATOM 1199 C ILE B 28 4.653 -8.351 -6.886 1.00 0.00 C ATOM 1200 O ILE B 28 5.633 -7.717 -7.281 1.00 0.00 O ATOM 1201 CB ILE B 28 4.436 -8.263 -4.399 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.638 -7.358 -4.110 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.080 -9.090 -3.175 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.406 -6.392 -2.967 1.00 0.00 C ATOM 0 H ILE B 28 6.820 -9.247 -5.791 1.00 0.00 H new ATOM 0 HA ILE B 28 3.993 -9.978 -5.635 1.00 0.00 H new ATOM 0 HB ILE B 28 3.581 -7.633 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.504 -7.979 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE B 28 5.881 -6.792 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.873 -8.427 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.197 -9.693 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE B 28 4.914 -9.745 -2.923 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.298 -5.783 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.561 -5.746 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.192 -6.951 -2.056 1.00 0.00 H new ATOM 1216 N PRO B 29 3.485 -8.340 -7.561 1.00 0.00 N ATOM 1217 CA PRO B 29 3.306 -7.576 -8.801 1.00 0.00 C ATOM 1218 C PRO B 29 3.672 -6.104 -8.628 1.00 0.00 C ATOM 1219 O PRO B 29 3.780 -5.610 -7.505 1.00 0.00 O ATOM 1220 CB PRO B 29 1.812 -7.721 -9.104 1.00 0.00 C ATOM 1221 CG PRO B 29 1.405 -8.978 -8.417 1.00 0.00 C ATOM 1222 CD PRO B 29 2.253 -9.059 -7.179 1.00 0.00 C ATOM 0 HA PRO B 29 3.951 -7.942 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.248 -6.866 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.630 -7.780 -10.177 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.345 -8.960 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.566 -9.844 -9.059 1.00 0.00 H new ATOM 0 HD2 PRO B 29 1.763 -8.591 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.461 -10.092 -6.901 1.00 0.00 H new ATOM 1230 N ASN B 30 3.861 -5.409 -9.745 1.00 0.00 N ATOM 1231 CA ASN B 30 4.215 -3.994 -9.712 1.00 0.00 C ATOM 1232 C ASN B 30 3.141 -3.179 -9.000 1.00 0.00 C ATOM 1233 O ASN B 30 3.436 -2.175 -8.356 1.00 0.00 O ATOM 1234 CB ASN B 30 4.412 -3.463 -11.135 1.00 0.00 C ATOM 1235 CG ASN B 30 5.307 -4.357 -11.971 1.00 0.00 C ATOM 1236 OD1 ASN B 30 4.838 -5.067 -12.861 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.604 -4.329 -11.688 1.00 0.00 N ATOM 0 H ASN B 30 3.775 -5.801 -10.683 1.00 0.00 H new ATOM 0 HA ASN B 30 5.149 -3.893 -9.159 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.441 -3.369 -11.622 1.00 0.00 H new ATOM 0 HB3 ASN B 30 4.844 -2.463 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.254 -4.911 -12.217 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.950 -3.726 -10.942 1.00 0.00 H new ATOM 1244 N LEU B 31 1.892 -3.623 -9.120 1.00 0.00 N ATOM 1245 CA LEU B 31 0.774 -2.933 -8.487 1.00 0.00 C ATOM 1246 C LEU B 31 0.916 -2.952 -6.968 1.00 0.00 C ATOM 1247 O LEU B 31 0.914 -1.905 -6.321 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.549 -3.579 -8.896 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.798 -2.937 -8.289 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -2.062 -1.579 -8.924 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -3.003 -3.852 -8.460 1.00 0.00 C ATOM 0 H LEU B 31 1.630 -4.455 -9.648 1.00 0.00 H new ATOM 0 HA LEU B 31 0.781 -1.896 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.632 -3.544 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.525 -4.631 -8.612 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.627 -2.789 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.954 -1.137 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.208 -0.924 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.213 -1.702 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.883 -3.380 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.177 -4.031 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.813 -4.801 -7.959 1.00 0.00 H new ATOM 1263 N VAL B 32 1.040 -4.151 -6.405 1.00 0.00 N ATOM 1264 CA VAL B 32 1.182 -4.302 -4.963 1.00 0.00 C ATOM 1265 C VAL B 32 2.444 -3.609 -4.460 1.00 0.00 C ATOM 1266 O VAL B 32 2.432 -2.955 -3.418 1.00 0.00 O ATOM 1267 CB VAL B 32 1.234 -5.788 -4.553 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.157 -5.928 -3.041 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.118 -6.570 -5.228 1.00 0.00 C ATOM 0 H VAL B 32 1.045 -5.029 -6.925 1.00 0.00 H new ATOM 0 HA VAL B 32 0.306 -3.837 -4.511 1.00 0.00 H new ATOM 0 HB VAL B 32 2.186 -6.203 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.195 -6.983 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL B 32 1.998 -5.406 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.223 -5.495 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.172 -7.616 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.846 -6.156 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.227 -6.499 -6.310 1.00 0.00 H new ATOM 1279 N ALA B 33 3.531 -3.757 -5.210 1.00 0.00 N ATOM 1280 CA ALA B 33 4.801 -3.144 -4.841 1.00 0.00 C ATOM 1281 C ALA B 33 4.720 -1.625 -4.921 1.00 0.00 C ATOM 1282 O ALA B 33 5.308 -0.918 -4.103 1.00 0.00 O ATOM 1283 CB ALA B 33 5.917 -3.662 -5.736 1.00 0.00 C ATOM 0 H ALA B 33 3.558 -4.295 -6.076 1.00 0.00 H new ATOM 0 HA ALA B 33 5.021 -3.417 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA B 33 6.860 -3.196 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.999 -4.743 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.693 -3.419 -6.775 1.00 0.00 H new ATOM 1289 N ARG B 34 3.986 -1.125 -5.911 1.00 0.00 N ATOM 1290 CA ARG B 34 3.828 0.313 -6.091 1.00 0.00 C ATOM 1291 C ARG B 34 3.182 0.942 -4.860 1.00 0.00 C ATOM 1292 O ARG B 34 3.500 2.071 -4.490 1.00 0.00 O ATOM 1293 CB ARG B 34 2.992 0.603 -7.342 1.00 0.00 C ATOM 1294 CG ARG B 34 3.823 1.034 -8.539 1.00 0.00 C ATOM 1295 CD ARG B 34 2.982 1.114 -9.802 1.00 0.00 C ATOM 1296 NE ARG B 34 2.218 2.358 -9.877 1.00 0.00 N ATOM 1297 CZ ARG B 34 1.533 2.754 -10.950 1.00 0.00 C ATOM 1298 NH1 ARG B 34 1.512 2.010 -12.051 1.00 0.00 N ATOM 1299 NH2 ARG B 34 0.868 3.900 -10.925 1.00 0.00 N ATOM 0 H ARG B 34 3.493 -1.694 -6.599 1.00 0.00 H new ATOM 0 HA ARG B 34 4.816 0.755 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG B 34 2.425 -0.290 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG B 34 2.267 1.384 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG B 34 4.274 2.006 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG B 34 4.640 0.328 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.631 1.035 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.298 0.266 -9.835 1.00 0.00 H new ATOM 0 HE ARG B 34 2.208 2.962 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.023 1.128 -12.080 1.00 0.00 H new ATOM 0 HH12 ARG B 34 0.985 2.321 -12.867 1.00 0.00 H new ATOM 0 HH21 ARG B 34 0.880 4.479 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG B 34 0.344 4.203 -11.746 1.00 0.00 H new ATOM 1313 N GLN B 35 2.279 0.199 -4.227 1.00 0.00 N ATOM 1314 CA GLN B 35 1.595 0.683 -3.035 1.00 0.00 C ATOM 1315 C GLN B 35 2.593 0.964 -1.917 1.00 0.00 C ATOM 1316 O GLN B 35 2.438 1.918 -1.155 1.00 0.00 O ATOM 1317 CB GLN B 35 0.560 -0.339 -2.562 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.684 -0.390 -3.434 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.967 -0.295 -2.631 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -2.647 -1.296 -2.403 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -2.304 0.914 -2.196 1.00 0.00 N ATOM 0 H GLN B 35 2.005 -0.739 -4.520 1.00 0.00 H new ATOM 0 HA GLN B 35 1.086 1.612 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.020 -1.327 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.268 -0.102 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.651 0.427 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.685 -1.319 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.711 1.716 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.156 1.040 -1.650 1.00 0.00 H new ATOM 1330 N ILE B 36 3.623 0.129 -1.831 1.00 0.00 N ATOM 1331 CA ILE B 36 4.652 0.292 -0.811 1.00 0.00 C ATOM 1332 C ILE B 36 5.407 1.599 -1.017 1.00 0.00 C ATOM 1333 O ILE B 36 5.433 2.458 -0.136 1.00 0.00 O ATOM 1334 CB ILE B 36 5.650 -0.887 -0.823 1.00 0.00 C ATOM 1335 CG1 ILE B 36 4.900 -2.219 -0.734 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.646 -0.759 0.322 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.811 -3.428 -0.756 1.00 0.00 C ATOM 0 H ILE B 36 3.767 -0.666 -2.454 1.00 0.00 H new ATOM 0 HA ILE B 36 4.151 0.312 0.157 1.00 0.00 H new ATOM 0 HB ILE B 36 6.203 -0.861 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.311 -2.235 0.183 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.198 -2.288 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.340 -1.599 0.296 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.201 0.174 0.219 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.111 -0.760 1.272 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.212 -4.336 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.382 -3.437 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.496 -3.383 0.090 1.00 0.00 H new ATOM 1349 N VAL B 37 6.010 1.750 -2.191 1.00 0.00 N ATOM 1350 CA VAL B 37 6.754 2.960 -2.514 1.00 0.00 C ATOM 1351 C VAL B 37 5.831 4.174 -2.505 1.00 0.00 C ATOM 1352 O VAL B 37 6.208 5.252 -2.044 1.00 0.00 O ATOM 1353 CB VAL B 37 7.435 2.851 -3.892 1.00 0.00 C ATOM 1354 CG1 VAL B 37 8.319 4.060 -4.155 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.239 1.564 -3.988 1.00 0.00 C ATOM 0 H VAL B 37 5.998 1.050 -2.933 1.00 0.00 H new ATOM 0 HA VAL B 37 7.524 3.080 -1.752 1.00 0.00 H new ATOM 0 HB VAL B 37 6.659 2.828 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL B 37 8.789 3.961 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL B 37 7.713 4.966 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.090 4.121 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL B 37 8.713 1.503 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.005 1.555 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.576 0.710 -3.852 1.00 0.00 H new ATOM 1365 N ASN B 38 4.616 3.988 -3.011 1.00 0.00 N ATOM 1366 CA ASN B 38 3.633 5.063 -3.059 1.00 0.00 C ATOM 1367 C ASN B 38 3.318 5.566 -1.656 1.00 0.00 C ATOM 1368 O ASN B 38 3.094 6.759 -1.447 1.00 0.00 O ATOM 1369 CB ASN B 38 2.350 4.581 -3.741 1.00 0.00 C ATOM 1370 CG ASN B 38 2.488 4.507 -5.249 1.00 0.00 C ATOM 1371 OD1 ASN B 38 3.566 4.229 -5.772 1.00 0.00 O ATOM 1372 ND2 ASN B 38 1.391 4.755 -5.957 1.00 0.00 N ATOM 0 H ASN B 38 4.289 3.101 -3.394 1.00 0.00 H new ATOM 0 HA ASN B 38 4.055 5.885 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.084 3.597 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.532 5.255 -3.487 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.423 4.719 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.518 4.982 -5.482 1.00 0.00 H new ATOM 1379 N SER B 39 3.306 4.650 -0.691 1.00 0.00 N ATOM 1380 CA SER B 39 3.024 5.001 0.694 1.00 0.00 C ATOM 1381 C SER B 39 4.120 5.895 1.259 1.00 0.00 C ATOM 1382 O SER B 39 3.867 6.742 2.118 1.00 0.00 O ATOM 1383 CB SER B 39 2.893 3.737 1.547 1.00 0.00 C ATOM 1384 OG SER B 39 2.112 3.979 2.703 1.00 0.00 O ATOM 0 H SER B 39 3.489 3.658 -0.845 1.00 0.00 H new ATOM 0 HA SER B 39 2.081 5.548 0.720 1.00 0.00 H new ATOM 0 HB2 SER B 39 2.437 2.942 0.957 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.883 3.388 1.840 1.00 0.00 H new ATOM 0 HG SER B 39 2.043 3.155 3.229 1.00 0.00 H new ATOM 1390 N CYS B 40 5.343 5.706 0.772 1.00 0.00 N ATOM 1391 CA CYS B 40 6.478 6.498 1.225 1.00 0.00 C ATOM 1392 C CYS B 40 6.331 7.955 0.800 1.00 0.00 C ATOM 1393 O CYS B 40 6.109 8.250 -0.373 1.00 0.00 O ATOM 1394 CB CYS B 40 7.783 5.921 0.671 1.00 0.00 C ATOM 1395 SG CYS B 40 9.270 6.710 1.329 1.00 0.00 S ATOM 0 H CYS B 40 5.572 5.010 0.063 1.00 0.00 H new ATOM 0 HA CYS B 40 6.505 6.458 2.314 1.00 0.00 H new ATOM 0 HB2 CYS B 40 7.821 4.855 0.893 1.00 0.00 H new ATOM 0 HB3 CYS B 40 7.781 6.020 -0.414 1.00 0.00 H new ATOM 0 HG CYS B 40 10.172 6.783 0.395 1.00 0.00 H new ATOM 1400 N ALA B 41 6.454 8.862 1.764 1.00 0.00 N ATOM 1401 CA ALA B 41 6.333 10.289 1.492 1.00 0.00 C ATOM 1402 C ALA B 41 7.624 10.855 0.908 1.00 0.00 C ATOM 1403 O ALA B 41 7.600 11.620 -0.053 1.00 0.00 O ATOM 1404 CB ALA B 41 5.954 11.038 2.761 1.00 0.00 C ATOM 0 H ALA B 41 6.638 8.633 2.741 1.00 0.00 H new ATOM 0 HA ALA B 41 5.544 10.423 0.752 1.00 0.00 H new ATOM 0 HB1 ALA B 41 5.867 12.102 2.543 1.00 0.00 H new ATOM 0 HB2 ALA B 41 5.000 10.665 3.133 1.00 0.00 H new ATOM 0 HB3 ALA B 41 6.723 10.884 3.518 1.00 0.00 H new ATOM 1410 N GLN B 42 8.751 10.474 1.502 1.00 0.00 N ATOM 1411 CA GLN B 42 10.052 10.947 1.043 1.00 0.00 C ATOM 1412 C GLN B 42 10.297 10.553 -0.411 1.00 0.00 C ATOM 1413 O GLN B 42 10.986 11.259 -1.146 1.00 0.00 O ATOM 1414 CB GLN B 42 11.164 10.384 1.930 1.00 0.00 C ATOM 1415 CG GLN B 42 12.507 11.063 1.721 1.00 0.00 C ATOM 1416 CD GLN B 42 13.350 11.079 2.980 1.00 0.00 C ATOM 1417 OE1 GLN B 42 14.324 10.335 3.099 1.00 0.00 O ATOM 1418 NE2 GLN B 42 12.981 11.931 3.929 1.00 0.00 N ATOM 0 H GLN B 42 8.789 9.840 2.300 1.00 0.00 H new ATOM 0 HA GLN B 42 10.057 12.035 1.110 1.00 0.00 H new ATOM 0 HB2 GLN B 42 10.872 10.488 2.975 1.00 0.00 H new ATOM 0 HB3 GLN B 42 11.270 9.317 1.733 1.00 0.00 H new ATOM 0 HG2 GLN B 42 13.052 10.548 0.929 1.00 0.00 H new ATOM 0 HG3 GLN B 42 12.345 12.086 1.383 1.00 0.00 H new ATOM 0 HE21 GLN B 42 12.167 12.529 3.789 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.512 11.987 4.798 1.00 0.00 H new ATOM 1427 N CYS B 43 9.726 9.424 -0.821 1.00 0.00 N ATOM 1428 CA CYS B 43 9.881 8.942 -2.188 1.00 0.00 C ATOM 1429 C CYS B 43 8.825 9.544 -3.108 1.00 0.00 C ATOM 1430 O CYS B 43 9.097 9.833 -4.273 1.00 0.00 O ATOM 1431 CB CYS B 43 9.812 7.414 -2.229 1.00 0.00 C ATOM 1432 SG CYS B 43 11.367 6.595 -1.799 1.00 0.00 S ATOM 0 H CYS B 43 9.152 8.827 -0.226 1.00 0.00 H new ATOM 0 HA CYS B 43 10.861 9.259 -2.545 1.00 0.00 H new ATOM 0 HB2 CYS B 43 9.034 7.077 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS B 43 9.513 7.101 -3.229 1.00 0.00 H new ATOM 0 HG CYS B 43 11.125 5.590 -1.011 1.00 0.00 H new ATOM 1437 N GLN B 44 7.622 9.736 -2.578 1.00 0.00 N ATOM 1438 CA GLN B 44 6.534 10.313 -3.361 1.00 0.00 C ATOM 1439 C GLN B 44 6.891 11.729 -3.802 1.00 0.00 C ATOM 1440 O GLN B 44 6.999 12.011 -4.996 1.00 0.00 O ATOM 1441 CB GLN B 44 5.240 10.328 -2.542 1.00 0.00 C ATOM 1442 CG GLN B 44 4.355 9.115 -2.781 1.00 0.00 C ATOM 1443 CD GLN B 44 2.892 9.404 -2.511 1.00 0.00 C ATOM 1444 OE1 GLN B 44 2.493 9.294 -1.249 1.00 0.00 O flip ATOM 1445 NE2 GLN B 44 2.130 9.721 -3.423 1.00 0.00 N flip ATOM 0 H GLN B 44 7.376 9.503 -1.616 1.00 0.00 H new ATOM 0 HA GLN B 44 6.381 9.698 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.491 10.381 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN B 44 4.678 11.231 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN B 44 4.472 8.781 -3.812 1.00 0.00 H new ATOM 0 HG3 GLN B 44 4.685 8.296 -2.141 1.00 0.00 H new ATOM 0 HE21 GLN B 44 2.480 9.793 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN B 44 1.148 9.912 -3.224 1.00 0.00 H new