USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1119 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 48 GLN :FLIP amide:sc= 0.257 F(o=-1.5!,f=0.64) USER MOD Set 1.2: A 74 TYR OH : rot -97:sc= 0.386 USER MOD Set 2.1: A 32 THR OG1 : rot 87:sc= 1.26 USER MOD Set 2.2: A 33 HIS : no HD1:sc= -1.33! C(o=-0.074!,f=-9.5!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= 1.18 K(o=1.6,f=-5.1!) USER MOD Set 3.2: A 105 TYR OH : rot -159:sc= 0.445 USER MOD Set 3.3: A 119 HIS : no HD1:sc= -0.013 X(o=1.6,f=1.6) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.67! C(o=-5.2!,f=-2.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 36 MET CE :methyl 159:sc= -1.84 (180deg=-4.05!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 45 SER OG : rot 29:sc= 0.0841 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.36) USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= 1.48 (180deg=-0.263) USER MOD Single : A 57 HIS : no HD1:sc= 0.716 K(o=0.72,f=-5!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 61 SER OG : rot -19:sc= 0.218 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 2:sc= -0.0066 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.28) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0.205 (180deg=0.0154) USER MOD Single : A 79 SER OG : rot 120:sc= 0.735 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -115:sc= -0.897! USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.301 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.5!) USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= -0.0265 (180deg=-0.188) USER MOD Single : A 100 LYS NZ :NH3+ -106:sc= -1.59 (180deg=-4.58!) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0199 F(o=-0.87,f=-0.02) USER MOD Single : A 118 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.95) USER MOD Single : A 122 CYS SG : rot 32:sc= 0.0446 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.0944 X(o=-0.094,f=-0.58) USER MOD Single : A 129 ASN : amide:sc= -0.0145 K(o=-0.014,f=-0.73) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -162:sc= 0.334 (180deg=0.209) USER MOD Single : A 140 LYS NZ :NH3+ -156:sc= -0.0902 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.431 2.377 8.057 1.00 0.00 N ATOM 100 CA ALA A 9 22.039 2.017 7.850 1.00 0.00 C ATOM 101 C ALA A 9 21.378 3.019 6.917 1.00 0.00 C ATOM 102 O ALA A 9 21.353 4.218 7.200 1.00 0.00 O ATOM 103 CB ALA A 9 21.291 1.954 9.179 1.00 0.00 C ATOM 0 HA ALA A 9 22.001 1.028 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.251 1.683 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.755 1.206 9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.333 2.928 9.666 1.00 0.00 H new ATOM 109 N VAL A 10 20.864 2.534 5.800 1.00 0.00 N ATOM 110 CA VAL A 10 20.162 3.389 4.858 1.00 0.00 C ATOM 111 C VAL A 10 18.662 3.240 5.071 1.00 0.00 C ATOM 112 O VAL A 10 18.162 2.128 5.242 1.00 0.00 O ATOM 113 CB VAL A 10 20.523 3.064 3.392 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.829 4.030 2.449 1.00 0.00 C ATOM 115 CG2 VAL A 10 22.031 3.108 3.168 1.00 0.00 C ATOM 0 H VAL A 10 20.919 1.554 5.523 1.00 0.00 H new ATOM 0 HA VAL A 10 20.470 4.418 5.043 1.00 0.00 H new ATOM 0 HB VAL A 10 20.179 2.051 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.094 3.787 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.749 3.949 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 20.145 5.049 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.251 2.875 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.405 4.104 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.516 2.376 3.814 1.00 0.00 H new ATOM 125 N GLN A 11 17.954 4.359 5.091 1.00 0.00 N ATOM 126 CA GLN A 11 16.537 4.348 5.411 1.00 0.00 C ATOM 127 C GLN A 11 15.718 4.805 4.221 1.00 0.00 C ATOM 128 O GLN A 11 16.008 5.835 3.607 1.00 0.00 O ATOM 129 CB GLN A 11 16.246 5.255 6.611 1.00 0.00 C ATOM 130 CG GLN A 11 17.298 5.175 7.703 1.00 0.00 C ATOM 131 CD GLN A 11 18.146 6.430 7.780 1.00 0.00 C ATOM 132 OE1 GLN A 11 19.171 6.542 7.111 1.00 0.00 O ATOM 133 NE2 GLN A 11 17.738 7.380 8.606 1.00 0.00 N ATOM 0 H GLN A 11 18.337 5.283 4.890 1.00 0.00 H new ATOM 0 HA GLN A 11 16.259 3.325 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.170 6.286 6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.277 4.987 7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.809 5.010 8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.942 4.315 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.882 7.253 9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 11 18.280 8.239 8.703 1.00 0.00 H new ATOM 142 N VAL A 12 14.696 4.037 3.893 1.00 0.00 N ATOM 143 CA VAL A 12 13.814 4.379 2.805 1.00 0.00 C ATOM 144 C VAL A 12 12.416 4.668 3.336 1.00 0.00 C ATOM 145 O VAL A 12 11.946 4.003 4.264 1.00 0.00 O ATOM 146 CB VAL A 12 13.756 3.243 1.768 1.00 0.00 C ATOM 147 CG1 VAL A 12 15.099 3.083 1.071 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.370 1.948 2.435 1.00 0.00 C ATOM 0 H VAL A 12 14.459 3.168 4.371 1.00 0.00 H new ATOM 0 HA VAL A 12 14.205 5.272 2.317 1.00 0.00 H new ATOM 0 HB VAL A 12 13.004 3.500 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.037 2.275 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.358 4.012 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.866 2.848 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.332 1.152 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.108 1.697 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.390 2.056 2.900 1.00 0.00 H new ATOM 158 N LYS A 13 11.771 5.680 2.785 1.00 0.00 N ATOM 159 CA LYS A 13 10.419 6.002 3.173 1.00 0.00 C ATOM 160 C LYS A 13 9.431 5.631 2.091 1.00 0.00 C ATOM 161 O LYS A 13 9.552 6.044 0.938 1.00 0.00 O ATOM 162 CB LYS A 13 10.279 7.479 3.521 1.00 0.00 C ATOM 163 CG LYS A 13 10.656 7.791 4.952 1.00 0.00 C ATOM 164 CD LYS A 13 10.394 9.248 5.283 1.00 0.00 C ATOM 165 CE LYS A 13 10.591 9.524 6.761 1.00 0.00 C ATOM 166 NZ LYS A 13 10.383 10.957 7.091 1.00 0.00 N ATOM 0 H LYS A 13 12.165 6.290 2.069 1.00 0.00 H new ATOM 0 HA LYS A 13 10.194 5.413 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.907 8.065 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.249 7.791 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.086 7.154 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.710 7.563 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.064 9.881 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.376 9.511 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.897 8.914 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.598 9.227 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.527 11.103 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.062 11.538 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.414 11.235 6.835 1.00 0.00 H new ATOM 180 N LEU A 14 8.462 4.837 2.482 1.00 0.00 N ATOM 181 CA LEU A 14 7.350 4.497 1.624 1.00 0.00 C ATOM 182 C LEU A 14 6.139 5.282 2.097 1.00 0.00 C ATOM 183 O LEU A 14 6.228 5.953 3.118 1.00 0.00 O ATOM 184 CB LEU A 14 7.087 2.994 1.667 1.00 0.00 C ATOM 185 CG LEU A 14 8.177 2.134 1.013 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.867 0.665 1.185 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.302 2.458 -0.465 1.00 0.00 C ATOM 0 H LEU A 14 8.422 4.407 3.406 1.00 0.00 H new ATOM 0 HA LEU A 14 7.572 4.755 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.977 2.688 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.137 2.791 1.172 1.00 0.00 H new ATOM 0 HG LEU A 14 9.123 2.359 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.650 0.070 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.817 0.426 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.909 0.438 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.080 1.837 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.352 2.261 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.563 3.509 -0.586 1.00 0.00 H new ATOM 199 N GLU A 15 5.036 5.221 1.362 1.00 0.00 N ATOM 200 CA GLU A 15 3.835 5.975 1.695 1.00 0.00 C ATOM 201 C GLU A 15 2.575 5.127 1.509 1.00 0.00 C ATOM 202 O GLU A 15 2.376 4.529 0.453 1.00 0.00 O ATOM 203 CB GLU A 15 3.772 7.237 0.831 1.00 0.00 C ATOM 204 CG GLU A 15 2.567 8.122 1.110 1.00 0.00 C ATOM 205 CD GLU A 15 2.675 9.482 0.447 1.00 0.00 C ATOM 206 OE1 GLU A 15 3.289 10.394 1.050 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.143 9.650 -0.672 1.00 0.00 O ATOM 0 H GLU A 15 4.949 4.650 0.521 1.00 0.00 H new ATOM 0 HA GLU A 15 3.881 6.259 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.680 7.818 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.759 6.945 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.665 7.622 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.460 8.254 2.187 1.00 0.00 H new ATOM 214 N LEU A 16 1.755 5.054 2.561 1.00 0.00 N ATOM 215 CA LEU A 16 0.446 4.406 2.477 1.00 0.00 C ATOM 216 C LEU A 16 -0.620 5.460 2.411 1.00 0.00 C ATOM 217 O LEU A 16 -0.486 6.531 3.007 1.00 0.00 O ATOM 218 CB LEU A 16 0.116 3.528 3.689 1.00 0.00 C ATOM 219 CG LEU A 16 0.406 2.032 3.586 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.565 1.588 2.166 1.00 0.00 C ATOM 221 CD2 LEU A 16 1.639 1.676 4.344 1.00 0.00 C ATOM 0 H LEU A 16 1.976 5.436 3.481 1.00 0.00 H new ATOM 0 HA LEU A 16 0.480 3.774 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.667 3.918 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.944 3.649 3.911 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.454 1.519 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.770 0.518 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.352 1.795 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.394 2.127 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.824 0.606 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.488 2.226 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.508 1.936 5.394 1.00 0.00 H new ATOM 233 N GLY A 17 -1.686 5.138 1.734 1.00 0.00 N ATOM 234 CA GLY A 17 -2.796 6.046 1.645 1.00 0.00 C ATOM 235 C GLY A 17 -4.052 5.349 1.217 1.00 0.00 C ATOM 236 O GLY A 17 -4.011 4.190 0.806 1.00 0.00 O ATOM 0 H GLY A 17 -1.811 4.256 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.956 6.521 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.561 6.839 0.936 1.00 0.00 H new ATOM 240 N HIS A 18 -5.166 6.046 1.333 1.00 0.00 N ATOM 241 CA HIS A 18 -6.437 5.545 0.853 1.00 0.00 C ATOM 242 C HIS A 18 -7.506 6.621 1.003 1.00 0.00 C ATOM 243 O HIS A 18 -7.509 7.383 1.973 1.00 0.00 O ATOM 244 CB HIS A 18 -6.836 4.238 1.583 1.00 0.00 C ATOM 245 CG HIS A 18 -8.058 4.335 2.449 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.046 4.901 3.706 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.338 3.957 2.220 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.265 4.873 4.207 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.063 4.304 3.327 1.00 0.00 N ATOM 0 H HIS A 18 -5.215 6.971 1.761 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.342 5.300 -0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.000 3.460 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.998 3.916 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.715 3.473 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.559 5.252 5.174 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.063 4.147 3.451 1.00 0.00 H new ATOM 258 N ARG A 19 -8.391 6.683 0.031 1.00 0.00 N ATOM 259 CA ARG A 19 -9.538 7.569 0.090 1.00 0.00 C ATOM 260 C ARG A 19 -10.800 6.739 0.020 1.00 0.00 C ATOM 261 O ARG A 19 -10.750 5.580 -0.382 1.00 0.00 O ATOM 262 CB ARG A 19 -9.537 8.558 -1.071 1.00 0.00 C ATOM 263 CG ARG A 19 -8.340 9.478 -1.124 1.00 0.00 C ATOM 264 CD ARG A 19 -8.455 10.393 -2.325 1.00 0.00 C ATOM 265 NE ARG A 19 -9.712 11.147 -2.324 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.986 12.146 -3.162 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.083 12.540 -4.052 1.00 0.00 N ATOM 268 NH2 ARG A 19 -11.170 12.746 -3.117 1.00 0.00 N ATOM 0 H ARG A 19 -8.338 6.124 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.490 8.131 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.588 7.999 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.441 9.165 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.281 10.068 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.422 8.894 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.616 11.088 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.388 9.802 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.422 10.891 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.175 12.077 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.297 13.305 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.870 12.442 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.379 13.511 -3.759 1.00 0.00 H new ATOM 282 N ALA A 20 -11.915 7.316 0.430 1.00 0.00 N ATOM 283 CA ALA A 20 -13.204 6.662 0.284 1.00 0.00 C ATOM 284 C ALA A 20 -14.305 7.686 0.075 1.00 0.00 C ATOM 285 O ALA A 20 -14.286 8.769 0.682 1.00 0.00 O ATOM 286 CB ALA A 20 -13.524 5.806 1.496 1.00 0.00 C ATOM 0 H ALA A 20 -11.955 8.237 0.867 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.148 6.016 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.494 5.329 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.757 5.041 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.551 6.433 2.387 1.00 0.00 H new ATOM 292 N GLN A 21 -15.244 7.349 -0.802 1.00 0.00 N ATOM 293 CA GLN A 21 -16.448 8.119 -0.975 1.00 0.00 C ATOM 294 C GLN A 21 -17.585 7.152 -1.283 1.00 0.00 C ATOM 295 O GLN A 21 -17.342 6.019 -1.704 1.00 0.00 O ATOM 296 CB GLN A 21 -16.280 9.156 -2.098 1.00 0.00 C ATOM 297 CG GLN A 21 -16.977 8.809 -3.391 1.00 0.00 C ATOM 298 CD GLN A 21 -16.405 7.608 -4.119 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.279 6.871 -4.790 1.00 0.00 O flip ATOM 300 NE2 GLN A 21 -15.208 7.335 -4.063 1.00 0.00 N flip ATOM 0 H GLN A 21 -15.182 6.531 -1.409 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.672 8.674 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.656 10.116 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.216 9.284 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -18.030 8.621 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.933 9.673 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.573 7.932 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.850 6.511 -4.546 1.00 0.00 H new ATOM 309 N VAL A 22 -18.808 7.555 -1.028 1.00 0.00 N ATOM 310 CA VAL A 22 -19.940 6.733 -1.395 1.00 0.00 C ATOM 311 C VAL A 22 -20.639 7.309 -2.610 1.00 0.00 C ATOM 312 O VAL A 22 -20.929 8.503 -2.661 1.00 0.00 O ATOM 313 CB VAL A 22 -20.943 6.579 -0.250 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.947 5.492 -0.574 1.00 0.00 C ATOM 315 CG2 VAL A 22 -20.232 6.282 1.053 1.00 0.00 C ATOM 0 H VAL A 22 -19.044 8.437 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.550 5.743 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 22 -21.479 7.521 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.655 5.393 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -22.485 5.753 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.425 4.546 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -20.966 6.177 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -19.666 5.356 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -19.551 7.100 1.291 1.00 0.00 H new ATOM 325 N ARG A 23 -20.886 6.465 -3.590 1.00 0.00 N ATOM 326 CA ARG A 23 -21.682 6.865 -4.744 1.00 0.00 C ATOM 327 C ARG A 23 -23.157 6.787 -4.375 1.00 0.00 C ATOM 328 O ARG A 23 -23.577 5.881 -3.653 1.00 0.00 O ATOM 329 CB ARG A 23 -21.377 5.978 -5.961 1.00 0.00 C ATOM 330 CG ARG A 23 -20.782 4.631 -5.591 1.00 0.00 C ATOM 331 CD ARG A 23 -21.156 3.544 -6.584 1.00 0.00 C ATOM 332 NE ARG A 23 -20.813 3.890 -7.961 1.00 0.00 N ATOM 333 CZ ARG A 23 -19.834 3.304 -8.650 1.00 0.00 C ATOM 334 NH1 ARG A 23 -18.991 2.479 -8.042 1.00 0.00 N ATOM 335 NH2 ARG A 23 -19.671 3.580 -9.936 1.00 0.00 N ATOM 0 H ARG A 23 -20.552 5.502 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.428 7.889 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.296 5.818 -6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.686 6.503 -6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.697 4.717 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.125 4.345 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.649 2.619 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.227 3.352 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.354 4.622 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.091 2.292 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.243 2.032 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.295 4.241 -10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.922 3.131 -10.463 1.00 0.00 H new ATOM 349 N LYS A 24 -23.934 7.753 -4.851 1.00 0.00 N ATOM 350 CA LYS A 24 -25.348 7.854 -4.496 1.00 0.00 C ATOM 351 C LYS A 24 -26.157 6.720 -5.123 1.00 0.00 C ATOM 352 O LYS A 24 -27.354 6.572 -4.866 1.00 0.00 O ATOM 353 CB LYS A 24 -25.906 9.208 -4.934 1.00 0.00 C ATOM 354 CG LYS A 24 -27.211 9.574 -4.246 1.00 0.00 C ATOM 355 CD LYS A 24 -26.994 9.878 -2.771 1.00 0.00 C ATOM 356 CE LYS A 24 -28.304 10.175 -2.062 1.00 0.00 C ATOM 357 NZ LYS A 24 -28.087 10.621 -0.661 1.00 0.00 N ATOM 0 H LYS A 24 -23.608 8.481 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.432 7.768 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.166 9.981 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.063 9.196 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -27.652 10.441 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -27.921 8.754 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.505 9.030 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.323 10.731 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -28.846 10.947 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -28.930 9.282 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -29.005 10.814 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -27.592 9.875 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -27.511 11.487 -0.658 1.00 0.00 H new ATOM 371 N LYS A 25 -25.502 5.933 -5.955 1.00 0.00 N ATOM 372 CA LYS A 25 -26.119 4.763 -6.547 1.00 0.00 C ATOM 373 C LYS A 25 -25.110 3.628 -6.634 1.00 0.00 C ATOM 374 O LYS A 25 -24.107 3.737 -7.344 1.00 0.00 O ATOM 375 CB LYS A 25 -26.668 5.085 -7.936 1.00 0.00 C ATOM 376 CG LYS A 25 -27.276 3.881 -8.626 1.00 0.00 C ATOM 377 CD LYS A 25 -28.140 4.283 -9.795 1.00 0.00 C ATOM 378 CE LYS A 25 -28.808 3.066 -10.399 1.00 0.00 C ATOM 379 NZ LYS A 25 -29.796 3.424 -11.447 1.00 0.00 N ATOM 0 H LYS A 25 -24.534 6.086 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 25 -26.949 4.454 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.422 5.867 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -25.864 5.484 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -26.481 3.220 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -27.873 3.315 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -28.896 4.997 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -27.533 4.785 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -28.048 2.413 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -29.306 2.500 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -30.226 2.558 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -30.538 4.025 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -29.318 3.941 -12.213 1.00 0.00 H new ATOM 393 N PRO A 26 -25.350 2.533 -5.894 1.00 0.00 N ATOM 394 CA PRO A 26 -24.502 1.343 -5.950 1.00 0.00 C ATOM 395 C PRO A 26 -24.388 0.802 -7.367 1.00 0.00 C ATOM 396 O PRO A 26 -25.298 0.966 -8.181 1.00 0.00 O ATOM 397 CB PRO A 26 -25.213 0.335 -5.045 1.00 0.00 C ATOM 398 CG PRO A 26 -26.074 1.155 -4.151 1.00 0.00 C ATOM 399 CD PRO A 26 -26.460 2.376 -4.941 1.00 0.00 C ATOM 0 HA PRO A 26 -23.481 1.554 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -25.808 -0.368 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.497 -0.253 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -26.957 0.596 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.539 1.432 -3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.412 2.238 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.566 3.252 -4.301 1.00 0.00 H new ATOM 407 N THR A 27 -23.273 0.153 -7.651 1.00 0.00 N ATOM 408 CA THR A 27 -22.996 -0.322 -8.998 1.00 0.00 C ATOM 409 C THR A 27 -23.888 -1.514 -9.351 1.00 0.00 C ATOM 410 O THR A 27 -24.732 -1.918 -8.550 1.00 0.00 O ATOM 411 CB THR A 27 -21.504 -0.706 -9.171 1.00 0.00 C ATOM 412 OG1 THR A 27 -21.238 -1.094 -10.522 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.109 -1.841 -8.236 1.00 0.00 C ATOM 0 H THR A 27 -22.544 -0.058 -6.969 1.00 0.00 H new ATOM 0 HA THR A 27 -23.217 0.498 -9.681 1.00 0.00 H new ATOM 0 HB THR A 27 -20.912 0.174 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.292 -1.331 -10.614 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.057 -2.085 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.269 -1.533 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.718 -2.719 -8.451 1.00 0.00 H new ATOM 421 N VAL A 28 -23.685 -2.066 -10.541 1.00 0.00 N ATOM 422 CA VAL A 28 -24.452 -3.206 -11.035 1.00 0.00 C ATOM 423 C VAL A 28 -24.571 -4.314 -9.985 1.00 0.00 C ATOM 424 O VAL A 28 -25.642 -4.893 -9.796 1.00 0.00 O ATOM 425 CB VAL A 28 -23.817 -3.764 -12.325 1.00 0.00 C ATOM 426 CG1 VAL A 28 -22.318 -3.956 -12.156 1.00 0.00 C ATOM 427 CG2 VAL A 28 -24.477 -5.068 -12.743 1.00 0.00 C ATOM 0 H VAL A 28 -22.978 -1.733 -11.197 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.458 -2.849 -11.255 1.00 0.00 H new ATOM 0 HB VAL A 28 -23.981 -3.032 -13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -21.895 -4.350 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -21.852 -2.998 -11.924 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -22.130 -4.657 -11.343 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -24.008 -5.437 -13.655 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -24.359 -5.806 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -25.538 -4.897 -12.924 1.00 0.00 H new ATOM 437 N GLU A 29 -23.482 -4.572 -9.275 1.00 0.00 N ATOM 438 CA GLU A 29 -23.451 -5.652 -8.297 1.00 0.00 C ATOM 439 C GLU A 29 -23.793 -5.154 -6.890 1.00 0.00 C ATOM 440 O GLU A 29 -23.711 -5.907 -5.920 1.00 0.00 O ATOM 441 CB GLU A 29 -22.087 -6.335 -8.317 1.00 0.00 C ATOM 442 CG GLU A 29 -21.770 -6.984 -9.658 1.00 0.00 C ATOM 443 CD GLU A 29 -20.477 -7.769 -9.644 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.475 -8.912 -9.148 1.00 0.00 O ATOM 445 OE2 GLU A 29 -19.457 -7.247 -10.137 1.00 0.00 O ATOM 0 H GLU A 29 -22.610 -4.050 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.215 -6.379 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.315 -5.602 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.054 -7.094 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.589 -7.648 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.711 -6.211 -10.424 1.00 0.00 H new ATOM 452 N GLY A 30 -24.169 -3.886 -6.783 1.00 0.00 N ATOM 453 CA GLY A 30 -24.688 -3.368 -5.528 1.00 0.00 C ATOM 454 C GLY A 30 -23.607 -2.958 -4.551 1.00 0.00 C ATOM 455 O GLY A 30 -23.762 -3.113 -3.340 1.00 0.00 O ATOM 0 H GLY A 30 -24.125 -3.206 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.325 -2.508 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.318 -4.127 -5.064 1.00 0.00 H new ATOM 459 N PHE A 31 -22.509 -2.450 -5.072 1.00 0.00 N ATOM 460 CA PHE A 31 -21.427 -1.961 -4.237 1.00 0.00 C ATOM 461 C PHE A 31 -21.572 -0.448 -4.067 1.00 0.00 C ATOM 462 O PHE A 31 -21.724 0.281 -5.051 1.00 0.00 O ATOM 463 CB PHE A 31 -20.076 -2.330 -4.855 1.00 0.00 C ATOM 464 CG PHE A 31 -19.933 -3.803 -5.174 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.576 -4.767 -4.413 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.150 -4.222 -6.237 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.444 -6.110 -4.704 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.015 -5.562 -6.533 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.662 -6.508 -5.767 1.00 0.00 C ATOM 0 H PHE A 31 -22.340 -2.364 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.475 -2.427 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -19.936 -1.754 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.281 -2.037 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.190 -4.462 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.638 -3.489 -6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.952 -6.847 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.401 -5.871 -7.366 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.557 -7.558 -5.999 1.00 0.00 H new ATOM 479 N THR A 32 -21.559 0.005 -2.819 1.00 0.00 N ATOM 480 CA THR A 32 -21.900 1.389 -2.488 1.00 0.00 C ATOM 481 C THR A 32 -20.672 2.268 -2.242 1.00 0.00 C ATOM 482 O THR A 32 -20.667 3.454 -2.574 1.00 0.00 O ATOM 483 CB THR A 32 -22.790 1.437 -1.232 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.104 0.873 -0.104 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.074 0.689 -1.458 1.00 0.00 C ATOM 0 H THR A 32 -21.314 -0.569 -2.012 1.00 0.00 H new ATOM 0 HA THR A 32 -22.429 1.782 -3.356 1.00 0.00 H new ATOM 0 HB THR A 32 -23.019 2.483 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.566 1.567 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.686 0.737 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.616 1.139 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.852 -0.352 -1.691 1.00 0.00 H new ATOM 493 N HIS A 33 -19.638 1.686 -1.664 1.00 0.00 N ATOM 494 CA HIS A 33 -18.483 2.446 -1.202 1.00 0.00 C ATOM 495 C HIS A 33 -17.289 2.234 -2.116 1.00 0.00 C ATOM 496 O HIS A 33 -16.817 1.112 -2.277 1.00 0.00 O ATOM 497 CB HIS A 33 -18.112 2.021 0.225 1.00 0.00 C ATOM 498 CG HIS A 33 -18.948 2.635 1.309 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.272 2.314 1.542 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.614 3.541 2.256 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.709 2.999 2.589 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.721 3.747 3.037 1.00 0.00 N ATOM 0 H HIS A 33 -19.571 0.681 -1.501 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.749 3.503 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.191 0.936 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.068 2.277 0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.651 4.015 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.705 2.952 3.004 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.772 4.378 3.837 1.00 0.00 H new ATOM 511 N ASP A 34 -16.793 3.315 -2.694 1.00 0.00 N ATOM 512 CA ASP A 34 -15.633 3.250 -3.570 1.00 0.00 C ATOM 513 C ASP A 34 -14.435 3.836 -2.867 1.00 0.00 C ATOM 514 O ASP A 34 -14.544 4.843 -2.162 1.00 0.00 O ATOM 515 CB ASP A 34 -15.886 3.994 -4.883 1.00 0.00 C ATOM 516 CG ASP A 34 -16.739 3.198 -5.845 1.00 0.00 C ATOM 517 OD1 ASP A 34 -17.941 3.005 -5.569 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.208 2.763 -6.889 1.00 0.00 O ATOM 0 H ASP A 34 -17.177 4.252 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.442 2.204 -3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.375 4.944 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.931 4.226 -5.355 1.00 0.00 H new ATOM 523 N TRP A 35 -13.300 3.195 -3.037 1.00 0.00 N ATOM 524 CA TRP A 35 -12.091 3.643 -2.391 1.00 0.00 C ATOM 525 C TRP A 35 -10.878 3.455 -3.288 1.00 0.00 C ATOM 526 O TRP A 35 -10.940 2.779 -4.319 1.00 0.00 O ATOM 527 CB TRP A 35 -11.895 2.928 -1.046 1.00 0.00 C ATOM 528 CG TRP A 35 -11.948 1.425 -1.108 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.007 0.617 -0.789 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.876 0.552 -1.481 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.654 -0.705 -0.956 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.351 -0.768 -1.379 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.560 0.764 -1.896 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.547 -1.871 -1.675 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.769 -0.329 -2.183 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.263 -1.628 -2.073 1.00 0.00 C ATOM 0 H TRP A 35 -13.191 2.363 -3.617 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.194 4.711 -2.199 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.932 3.225 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.661 3.275 -0.353 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -13.974 0.964 -0.456 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.263 -1.506 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.168 1.766 -1.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.926 -2.879 -1.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.748 -0.176 -2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.616 -2.461 -2.308 1.00 0.00 H new ATOM 547 N MET A 36 -9.787 4.079 -2.889 1.00 0.00 N ATOM 548 CA MET A 36 -8.522 3.990 -3.598 1.00 0.00 C ATOM 549 C MET A 36 -7.385 3.925 -2.597 1.00 0.00 C ATOM 550 O MET A 36 -7.362 4.698 -1.647 1.00 0.00 O ATOM 551 CB MET A 36 -8.326 5.202 -4.507 1.00 0.00 C ATOM 552 CG MET A 36 -6.912 5.323 -5.052 1.00 0.00 C ATOM 553 SD MET A 36 -6.603 6.917 -5.811 1.00 0.00 S ATOM 554 CE MET A 36 -6.799 7.938 -4.363 1.00 0.00 C ATOM 0 H MET A 36 -9.752 4.667 -2.057 1.00 0.00 H new ATOM 0 HA MET A 36 -8.530 3.089 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.025 5.139 -5.341 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.573 6.107 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.199 5.165 -4.242 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.740 4.535 -5.786 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.297 8.893 -4.520 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.860 8.111 -4.181 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.360 7.435 -3.501 1.00 0.00 H new ATOM 564 N VAL A 37 -6.457 3.009 -2.806 1.00 0.00 N ATOM 565 CA VAL A 37 -5.311 2.860 -1.914 1.00 0.00 C ATOM 566 C VAL A 37 -4.029 3.362 -2.545 1.00 0.00 C ATOM 567 O VAL A 37 -3.893 3.375 -3.767 1.00 0.00 O ATOM 568 CB VAL A 37 -5.105 1.403 -1.489 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.804 1.136 -0.188 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.616 0.464 -2.560 1.00 0.00 C ATOM 0 H VAL A 37 -6.471 2.353 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.540 3.465 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.037 1.229 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.649 0.097 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.400 1.792 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.871 1.325 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.462 -0.568 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.680 0.640 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.074 0.643 -3.489 1.00 0.00 H new ATOM 580 N PHE A 38 -3.097 3.734 -1.679 1.00 0.00 N ATOM 581 CA PHE A 38 -1.823 4.325 -2.061 1.00 0.00 C ATOM 582 C PHE A 38 -0.653 3.521 -1.519 1.00 0.00 C ATOM 583 O PHE A 38 -0.581 3.267 -0.317 1.00 0.00 O ATOM 584 CB PHE A 38 -1.714 5.728 -1.461 1.00 0.00 C ATOM 585 CG PHE A 38 -2.100 6.863 -2.353 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.141 7.457 -3.147 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.395 7.361 -2.372 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.459 8.528 -3.956 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.721 8.430 -3.182 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.756 9.016 -3.976 1.00 0.00 C ATOM 0 H PHE A 38 -3.208 3.631 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.786 4.344 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.338 5.767 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.685 5.882 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.129 7.079 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.153 6.909 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.699 8.985 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.732 8.808 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.011 9.852 -4.611 1.00 0.00 H new ATOM 600 N VAL A 39 0.249 3.119 -2.402 1.00 0.00 N ATOM 601 CA VAL A 39 1.566 2.662 -1.993 1.00 0.00 C ATOM 602 C VAL A 39 2.615 3.270 -2.911 1.00 0.00 C ATOM 603 O VAL A 39 2.576 3.081 -4.121 1.00 0.00 O ATOM 604 CB VAL A 39 1.690 1.122 -1.983 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.880 0.540 -0.854 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.236 0.520 -3.291 1.00 0.00 C ATOM 0 H VAL A 39 0.091 3.101 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 39 1.725 2.992 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 39 2.743 0.879 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.977 -0.546 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.245 0.932 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.168 0.812 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.337 -0.564 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.192 0.780 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.850 0.909 -4.103 1.00 0.00 H new ATOM 616 N ARG A 40 3.523 4.046 -2.346 1.00 0.00 N ATOM 617 CA ARG A 40 4.541 4.730 -3.154 1.00 0.00 C ATOM 618 C ARG A 40 5.580 5.379 -2.263 1.00 0.00 C ATOM 619 O ARG A 40 5.607 5.132 -1.073 1.00 0.00 O ATOM 620 CB ARG A 40 3.916 5.809 -4.048 1.00 0.00 C ATOM 621 CG ARG A 40 3.338 6.971 -3.256 1.00 0.00 C ATOM 622 CD ARG A 40 3.265 8.248 -4.077 1.00 0.00 C ATOM 623 NE ARG A 40 2.998 9.397 -3.219 1.00 0.00 N ATOM 624 CZ ARG A 40 3.332 10.648 -3.512 1.00 0.00 C ATOM 625 NH1 ARG A 40 3.904 10.940 -4.673 1.00 0.00 N ATOM 626 NH2 ARG A 40 3.088 11.607 -2.632 1.00 0.00 N ATOM 0 H ARG A 40 3.584 4.223 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 40 5.011 3.975 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.672 6.186 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.128 5.361 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.339 6.709 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.950 7.145 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.203 8.397 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.481 8.159 -4.829 1.00 0.00 H new ATOM 0 HE ARG A 40 2.522 9.228 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.091 10.200 -5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.157 11.904 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.648 11.381 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.340 12.572 -2.846 1.00 0.00 H new ATOM 640 N GLY A 41 6.469 6.156 -2.860 1.00 0.00 N ATOM 641 CA GLY A 41 7.374 6.980 -2.086 1.00 0.00 C ATOM 642 C GLY A 41 6.905 8.420 -2.060 1.00 0.00 C ATOM 643 O GLY A 41 6.192 8.844 -2.968 1.00 0.00 O ATOM 0 H GLY A 41 6.581 6.231 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.441 6.597 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.376 6.927 -2.513 1.00 0.00 H new ATOM 647 N PRO A 42 7.295 9.203 -1.048 1.00 0.00 N ATOM 648 CA PRO A 42 6.841 10.580 -0.905 1.00 0.00 C ATOM 649 C PRO A 42 7.556 11.540 -1.847 1.00 0.00 C ATOM 650 O PRO A 42 8.455 11.140 -2.590 1.00 0.00 O ATOM 651 CB PRO A 42 7.139 10.933 0.560 1.00 0.00 C ATOM 652 CG PRO A 42 7.962 9.806 1.121 1.00 0.00 C ATOM 653 CD PRO A 42 8.227 8.819 0.017 1.00 0.00 C ATOM 0 HA PRO A 42 5.786 10.672 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.680 11.877 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.214 11.054 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.901 10.186 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.434 9.323 1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.261 8.871 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.052 7.796 0.349 1.00 0.00 H new ATOM 661 N GLU A 43 7.120 12.796 -1.818 1.00 0.00 N ATOM 662 CA GLU A 43 7.623 13.844 -2.703 1.00 0.00 C ATOM 663 C GLU A 43 9.140 13.787 -2.885 1.00 0.00 C ATOM 664 O GLU A 43 9.899 13.768 -1.913 1.00 0.00 O ATOM 665 CB GLU A 43 7.227 15.224 -2.167 1.00 0.00 C ATOM 666 CG GLU A 43 5.769 15.597 -2.404 1.00 0.00 C ATOM 667 CD GLU A 43 4.787 14.588 -1.846 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.865 14.270 -0.639 1.00 0.00 O ATOM 669 OE2 GLU A 43 3.943 14.093 -2.619 1.00 0.00 O ATOM 0 H GLU A 43 6.399 13.119 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 43 7.169 13.674 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.428 15.256 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.862 15.977 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.573 16.570 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.599 15.703 -3.475 1.00 0.00 H new ATOM 676 N HIS A 44 9.545 13.710 -4.153 1.00 0.00 N ATOM 677 CA HIS A 44 10.951 13.817 -4.582 1.00 0.00 C ATOM 678 C HIS A 44 11.709 12.497 -4.446 1.00 0.00 C ATOM 679 O HIS A 44 12.741 12.305 -5.088 1.00 0.00 O ATOM 680 CB HIS A 44 11.698 14.935 -3.843 1.00 0.00 C ATOM 681 CG HIS A 44 11.139 16.302 -4.092 1.00 0.00 C ATOM 682 ND1 HIS A 44 10.903 16.797 -5.354 1.00 0.00 N ATOM 683 CD2 HIS A 44 10.747 17.273 -3.233 1.00 0.00 C ATOM 684 CE1 HIS A 44 10.392 18.008 -5.263 1.00 0.00 C ATOM 685 NE2 HIS A 44 10.286 18.320 -3.987 1.00 0.00 N ATOM 0 H HIS A 44 8.898 13.569 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 44 10.915 14.072 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.671 14.731 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.745 14.920 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 44 10.790 17.230 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 44 10.108 18.638 -6.093 1.00 0.00 H new ATOM 0 HE2 HIS A 44 9.920 19.199 -3.620 1.00 0.00 H new ATOM 694 N SER A 45 11.214 11.598 -3.616 1.00 0.00 N ATOM 695 CA SER A 45 11.811 10.278 -3.486 1.00 0.00 C ATOM 696 C SER A 45 11.043 9.257 -4.322 1.00 0.00 C ATOM 697 O SER A 45 9.866 8.997 -4.071 1.00 0.00 O ATOM 698 CB SER A 45 11.851 9.867 -2.013 1.00 0.00 C ATOM 699 OG SER A 45 10.674 10.277 -1.336 1.00 0.00 O ATOM 0 H SER A 45 10.401 11.756 -3.021 1.00 0.00 H new ATOM 0 HA SER A 45 12.834 10.312 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.960 8.785 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.723 10.310 -1.532 1.00 0.00 H new ATOM 0 HG SER A 45 9.926 10.305 -1.968 1.00 0.00 H new ATOM 705 N ASN A 46 11.703 8.702 -5.329 1.00 0.00 N ATOM 706 CA ASN A 46 11.087 7.683 -6.174 1.00 0.00 C ATOM 707 C ASN A 46 11.483 6.304 -5.688 1.00 0.00 C ATOM 708 O ASN A 46 12.670 6.008 -5.540 1.00 0.00 O ATOM 709 CB ASN A 46 11.503 7.853 -7.640 1.00 0.00 C ATOM 710 CG ASN A 46 10.457 8.573 -8.469 1.00 0.00 C ATOM 711 OD1 ASN A 46 9.530 7.956 -8.996 1.00 0.00 O ATOM 712 ND2 ASN A 46 10.605 9.877 -8.610 1.00 0.00 N ATOM 0 H ASN A 46 12.663 8.938 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 46 10.005 7.798 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.440 8.408 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.692 6.872 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.939 10.408 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.386 10.353 -8.158 1.00 0.00 H new ATOM 719 N ILE A 47 10.500 5.447 -5.465 1.00 0.00 N ATOM 720 CA ILE A 47 10.776 4.145 -4.889 1.00 0.00 C ATOM 721 C ILE A 47 11.150 3.133 -5.948 1.00 0.00 C ATOM 722 O ILE A 47 11.773 2.136 -5.637 1.00 0.00 O ATOM 723 CB ILE A 47 9.609 3.587 -4.075 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.422 3.267 -4.970 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.231 4.564 -2.994 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.321 2.539 -4.243 1.00 0.00 C ATOM 0 H ILE A 47 9.517 5.627 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 47 11.618 4.308 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 47 9.920 2.653 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.026 4.194 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.760 2.660 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.399 4.163 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.085 4.727 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.936 5.511 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.501 2.338 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.705 1.597 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.960 3.155 -3.419 1.00 0.00 H new ATOM 738 N GLN A 48 10.790 3.405 -7.200 1.00 0.00 N ATOM 739 CA GLN A 48 11.082 2.500 -8.317 1.00 0.00 C ATOM 740 C GLN A 48 12.585 2.186 -8.406 1.00 0.00 C ATOM 741 O GLN A 48 13.009 1.280 -9.122 1.00 0.00 O ATOM 742 CB GLN A 48 10.592 3.130 -9.628 1.00 0.00 C ATOM 743 CG GLN A 48 10.771 2.240 -10.853 1.00 0.00 C ATOM 744 CD GLN A 48 9.621 1.264 -11.074 1.00 0.00 C ATOM 745 OE1 GLN A 48 8.405 1.644 -10.697 1.00 0.00 O flip ATOM 746 NE2 GLN A 48 9.828 0.171 -11.599 1.00 0.00 N flip ATOM 0 H GLN A 48 10.291 4.252 -7.471 1.00 0.00 H new ATOM 0 HA GLN A 48 10.558 1.560 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.536 3.380 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.127 4.066 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.876 2.870 -11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.699 1.677 -10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.774 -0.090 -11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.054 -0.474 -11.756 1.00 0.00 H new ATOM 755 N HIS A 49 13.376 2.938 -7.658 1.00 0.00 N ATOM 756 CA HIS A 49 14.814 2.716 -7.590 1.00 0.00 C ATOM 757 C HIS A 49 15.139 1.525 -6.692 1.00 0.00 C ATOM 758 O HIS A 49 16.046 0.749 -6.991 1.00 0.00 O ATOM 759 CB HIS A 49 15.536 3.969 -7.084 1.00 0.00 C ATOM 760 CG HIS A 49 15.892 4.939 -8.166 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.560 4.575 -9.313 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.670 6.267 -8.270 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.731 5.637 -10.075 1.00 0.00 C ATOM 764 NE2 HIS A 49 16.201 6.680 -9.467 1.00 0.00 N ATOM 0 H HIS A 49 13.045 3.714 -7.085 1.00 0.00 H new ATOM 0 HA HIS A 49 15.165 2.496 -8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.903 4.471 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.446 3.668 -6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 49 15.167 6.890 -7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 49 17.223 5.650 -11.036 1.00 0.00 H new ATOM 0 HE2 HIS A 49 16.188 7.635 -9.826 1.00 0.00 H new ATOM 773 N PHE A 50 14.393 1.375 -5.601 1.00 0.00 N ATOM 774 CA PHE A 50 14.640 0.291 -4.653 1.00 0.00 C ATOM 775 C PHE A 50 13.430 -0.641 -4.525 1.00 0.00 C ATOM 776 O PHE A 50 13.476 -1.643 -3.809 1.00 0.00 O ATOM 777 CB PHE A 50 15.055 0.851 -3.282 1.00 0.00 C ATOM 778 CG PHE A 50 14.063 1.773 -2.628 1.00 0.00 C ATOM 779 CD1 PHE A 50 13.015 1.286 -1.861 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.202 3.140 -2.759 1.00 0.00 C ATOM 781 CE1 PHE A 50 12.129 2.148 -1.249 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.314 4.004 -2.149 1.00 0.00 C ATOM 783 CZ PHE A 50 12.276 3.507 -1.395 1.00 0.00 C ATOM 0 H PHE A 50 13.616 1.987 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 50 15.465 -0.305 -5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.243 0.014 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.998 1.385 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.891 0.220 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.016 3.539 -3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.318 1.754 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.434 5.071 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.579 4.182 -0.920 1.00 0.00 H new ATOM 793 N VAL A 51 12.369 -0.318 -5.251 1.00 0.00 N ATOM 794 CA VAL A 51 11.123 -1.067 -5.201 1.00 0.00 C ATOM 795 C VAL A 51 10.817 -1.666 -6.572 1.00 0.00 C ATOM 796 O VAL A 51 10.911 -0.991 -7.598 1.00 0.00 O ATOM 797 CB VAL A 51 9.965 -0.164 -4.699 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.600 -0.819 -4.873 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.190 0.173 -3.236 1.00 0.00 C ATOM 0 H VAL A 51 12.349 0.474 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 51 11.228 -1.888 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 51 9.966 0.743 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.824 -0.147 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.429 -1.029 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.569 -1.751 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.378 0.807 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.216 -0.746 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.138 0.700 -3.126 1.00 0.00 H new ATOM 809 N GLU A 52 10.480 -2.949 -6.564 1.00 0.00 N ATOM 810 CA GLU A 52 10.337 -3.742 -7.783 1.00 0.00 C ATOM 811 C GLU A 52 8.906 -3.697 -8.296 1.00 0.00 C ATOM 812 O GLU A 52 8.631 -3.158 -9.366 1.00 0.00 O ATOM 813 CB GLU A 52 10.737 -5.194 -7.491 1.00 0.00 C ATOM 814 CG GLU A 52 10.439 -6.177 -8.617 1.00 0.00 C ATOM 815 CD GLU A 52 10.445 -7.611 -8.133 1.00 0.00 C ATOM 816 OE1 GLU A 52 9.680 -7.928 -7.198 1.00 0.00 O ATOM 817 OE2 GLU A 52 11.204 -8.434 -8.685 1.00 0.00 O ATOM 0 H GLU A 52 10.297 -3.474 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 52 10.988 -3.324 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.805 -5.225 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.218 -5.525 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.467 -5.945 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.180 -6.058 -9.408 1.00 0.00 H new ATOM 824 N LYS A 53 8.005 -4.289 -7.536 1.00 0.00 N ATOM 825 CA LYS A 53 6.610 -4.311 -7.891 1.00 0.00 C ATOM 826 C LYS A 53 5.774 -4.050 -6.659 1.00 0.00 C ATOM 827 O LYS A 53 6.311 -3.819 -5.579 1.00 0.00 O ATOM 828 CB LYS A 53 6.248 -5.656 -8.532 1.00 0.00 C ATOM 829 CG LYS A 53 6.558 -6.888 -7.657 1.00 0.00 C ATOM 830 CD LYS A 53 6.025 -8.201 -8.243 1.00 0.00 C ATOM 831 CE LYS A 53 6.061 -9.326 -7.229 1.00 0.00 C ATOM 832 NZ LYS A 53 7.398 -9.465 -6.589 1.00 0.00 N ATOM 0 H LYS A 53 8.224 -4.764 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 53 6.406 -3.528 -8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.185 -5.655 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.787 -5.751 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.637 -6.969 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.127 -6.739 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.001 -8.056 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.619 -8.478 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.310 -9.144 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.796 -10.263 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.650 -10.472 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.109 -8.964 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.369 -9.056 -5.633 1.00 0.00 H new ATOM 846 N VAL A 54 4.476 -4.067 -6.821 1.00 0.00 N ATOM 847 CA VAL A 54 3.575 -3.841 -5.715 1.00 0.00 C ATOM 848 C VAL A 54 2.360 -4.739 -5.835 1.00 0.00 C ATOM 849 O VAL A 54 1.889 -5.012 -6.939 1.00 0.00 O ATOM 850 CB VAL A 54 3.160 -2.362 -5.645 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.766 -2.185 -5.074 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.164 -1.603 -4.800 1.00 0.00 C ATOM 0 H VAL A 54 4.014 -4.236 -7.715 1.00 0.00 H new ATOM 0 HA VAL A 54 4.094 -4.088 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 54 3.145 -1.968 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.517 -1.124 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.046 -2.709 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.732 -2.594 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.875 -0.553 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.186 -2.025 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.154 -1.684 -5.250 1.00 0.00 H new ATOM 862 N VAL A 55 1.888 -5.232 -4.703 1.00 0.00 N ATOM 863 CA VAL A 55 0.717 -6.087 -4.683 1.00 0.00 C ATOM 864 C VAL A 55 -0.241 -5.688 -3.566 1.00 0.00 C ATOM 865 O VAL A 55 0.174 -5.328 -2.461 1.00 0.00 O ATOM 866 CB VAL A 55 1.110 -7.583 -4.562 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.278 -8.298 -3.506 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.937 -8.274 -5.896 1.00 0.00 C ATOM 0 H VAL A 55 2.299 -5.054 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 55 0.201 -5.952 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 55 2.156 -7.626 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.582 -9.343 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.433 -7.823 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.777 -8.241 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.215 -9.324 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.104 -8.202 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.575 -7.795 -6.639 1.00 0.00 H new ATOM 878 N PHE A 56 -1.524 -5.744 -3.881 1.00 0.00 N ATOM 879 CA PHE A 56 -2.575 -5.483 -2.916 1.00 0.00 C ATOM 880 C PHE A 56 -3.384 -6.748 -2.712 1.00 0.00 C ATOM 881 O PHE A 56 -3.771 -7.387 -3.679 1.00 0.00 O ATOM 882 CB PHE A 56 -3.503 -4.359 -3.396 1.00 0.00 C ATOM 883 CG PHE A 56 -2.948 -2.981 -3.209 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.985 -2.478 -4.073 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.396 -2.181 -2.175 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.484 -1.210 -3.904 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.893 -0.907 -2.005 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.938 -0.420 -2.870 1.00 0.00 C ATOM 0 H PHE A 56 -1.865 -5.972 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.115 -5.169 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.721 -4.510 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.450 -4.432 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.626 -3.090 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.146 -2.556 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.733 -0.832 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.249 -0.291 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.546 0.578 -2.738 1.00 0.00 H new ATOM 898 N HIS A 57 -3.610 -7.127 -1.470 1.00 0.00 N ATOM 899 CA HIS A 57 -4.473 -8.263 -1.179 1.00 0.00 C ATOM 900 C HIS A 57 -5.785 -7.754 -0.615 1.00 0.00 C ATOM 901 O HIS A 57 -5.928 -7.606 0.597 1.00 0.00 O ATOM 902 CB HIS A 57 -3.828 -9.220 -0.170 1.00 0.00 C ATOM 903 CG HIS A 57 -2.513 -9.797 -0.603 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.330 -11.137 -0.853 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.305 -9.217 -0.792 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.070 -11.356 -1.173 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.423 -10.208 -1.140 1.00 0.00 N ATOM 0 H HIS A 57 -3.213 -6.671 -0.649 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.638 -8.812 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.684 -8.690 0.771 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.521 -10.038 0.028 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.077 -8.166 -0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.640 -12.315 -1.421 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.569 -10.078 -1.340 1.00 0.00 H new ATOM 916 N LEU A 58 -6.726 -7.453 -1.497 1.00 0.00 N ATOM 917 CA LEU A 58 -8.045 -6.995 -1.060 1.00 0.00 C ATOM 918 C LEU A 58 -8.763 -8.128 -0.330 1.00 0.00 C ATOM 919 O LEU A 58 -8.238 -9.236 -0.222 1.00 0.00 O ATOM 920 CB LEU A 58 -8.909 -6.525 -2.242 1.00 0.00 C ATOM 921 CG LEU A 58 -8.206 -5.708 -3.315 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.148 -5.481 -4.459 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.717 -4.377 -2.773 1.00 0.00 C ATOM 0 H LEU A 58 -6.608 -7.515 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.897 -6.146 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.347 -7.404 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.733 -5.931 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.333 -6.266 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.649 -4.896 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.455 -6.441 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.026 -4.941 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.220 -3.821 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.565 -3.801 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.014 -4.552 -1.958 1.00 0.00 H new ATOM 935 N HIS A 59 -9.963 -7.865 0.150 1.00 0.00 N ATOM 936 CA HIS A 59 -10.721 -8.878 0.872 1.00 0.00 C ATOM 937 C HIS A 59 -11.129 -9.979 -0.100 1.00 0.00 C ATOM 938 O HIS A 59 -11.406 -9.718 -1.263 1.00 0.00 O ATOM 939 CB HIS A 59 -11.948 -8.239 1.531 1.00 0.00 C ATOM 940 CG HIS A 59 -12.470 -8.988 2.720 1.00 0.00 C ATOM 941 ND1 HIS A 59 -11.783 -9.080 3.910 1.00 0.00 N ATOM 942 CD2 HIS A 59 -13.625 -9.667 2.902 1.00 0.00 C ATOM 943 CE1 HIS A 59 -12.494 -9.781 4.773 1.00 0.00 C ATOM 944 NE2 HIS A 59 -13.615 -10.150 4.186 1.00 0.00 N ATOM 0 H HIS A 59 -10.435 -6.966 0.056 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.107 -9.315 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.694 -7.225 1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.743 -8.158 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.409 -9.804 2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.206 -10.013 5.788 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.355 -10.705 4.617 1.00 0.00 H new ATOM 953 N GLU A 60 -11.132 -11.210 0.396 1.00 0.00 N ATOM 954 CA GLU A 60 -11.364 -12.408 -0.422 1.00 0.00 C ATOM 955 C GLU A 60 -12.677 -12.348 -1.202 1.00 0.00 C ATOM 956 O GLU A 60 -12.845 -13.049 -2.201 1.00 0.00 O ATOM 957 CB GLU A 60 -11.365 -13.646 0.467 1.00 0.00 C ATOM 958 CG GLU A 60 -10.029 -13.932 1.134 1.00 0.00 C ATOM 959 CD GLU A 60 -8.934 -14.267 0.143 1.00 0.00 C ATOM 960 OE1 GLU A 60 -8.994 -15.357 -0.471 1.00 0.00 O ATOM 961 OE2 GLU A 60 -7.997 -13.455 -0.014 1.00 0.00 O ATOM 0 H GLU A 60 -10.973 -11.413 1.383 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.554 -12.457 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.126 -13.526 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.652 -14.510 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.728 -13.064 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.147 -14.762 1.831 1.00 0.00 H new ATOM 968 N SER A 61 -13.608 -11.537 -0.725 1.00 0.00 N ATOM 969 CA SER A 61 -14.883 -11.339 -1.404 1.00 0.00 C ATOM 970 C SER A 61 -14.703 -10.540 -2.699 1.00 0.00 C ATOM 971 O SER A 61 -15.590 -10.515 -3.552 1.00 0.00 O ATOM 972 CB SER A 61 -15.865 -10.622 -0.473 1.00 0.00 C ATOM 973 OG SER A 61 -17.134 -10.463 -1.085 1.00 0.00 O ATOM 0 H SER A 61 -13.505 -11.001 0.136 1.00 0.00 H new ATOM 0 HA SER A 61 -15.285 -12.318 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.973 -11.190 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.465 -9.645 -0.202 1.00 0.00 H new ATOM 0 HG SER A 61 -17.043 -10.558 -2.056 1.00 0.00 H new ATOM 979 N PHE A 62 -13.558 -9.888 -2.843 1.00 0.00 N ATOM 980 CA PHE A 62 -13.275 -9.105 -4.035 1.00 0.00 C ATOM 981 C PHE A 62 -12.697 -10.005 -5.122 1.00 0.00 C ATOM 982 O PHE A 62 -11.716 -10.709 -4.889 1.00 0.00 O ATOM 983 CB PHE A 62 -12.291 -7.972 -3.714 1.00 0.00 C ATOM 984 CG PHE A 62 -12.843 -6.901 -2.809 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.196 -7.187 -1.502 1.00 0.00 C ATOM 986 CD2 PHE A 62 -12.994 -5.603 -3.268 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.694 -6.200 -0.672 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.490 -4.613 -2.444 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.841 -4.911 -1.144 1.00 0.00 C ATOM 0 H PHE A 62 -12.811 -9.886 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.206 -8.665 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.403 -8.400 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.971 -7.511 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.081 -8.193 -1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.720 -5.362 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.968 -6.437 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.603 -3.606 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.230 -4.138 -0.497 1.00 0.00 H new ATOM 999 N PRO A 63 -13.315 -10.013 -6.312 1.00 0.00 N ATOM 1000 CA PRO A 63 -12.854 -10.828 -7.444 1.00 0.00 C ATOM 1001 C PRO A 63 -11.450 -10.435 -7.882 1.00 0.00 C ATOM 1002 O PRO A 63 -11.219 -9.286 -8.266 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.864 -10.517 -8.552 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.050 -9.956 -7.848 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.509 -9.229 -6.654 1.00 0.00 C ATOM 0 HA PRO A 63 -12.801 -11.887 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.457 -9.804 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.126 -11.416 -9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.607 -9.281 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.736 -10.747 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.260 -8.194 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.227 -9.206 -5.834 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.526 -11.398 -7.839 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.108 -11.120 -8.062 1.00 0.00 C ATOM 1015 C ARG A 64 -8.633 -10.066 -7.069 1.00 0.00 C ATOM 1016 O ARG A 64 -8.363 -8.930 -7.448 1.00 0.00 O ATOM 1017 CB ARG A 64 -8.860 -10.629 -9.490 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.081 -11.682 -10.562 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.089 -11.057 -11.942 1.00 0.00 C ATOM 1020 NE ARG A 64 -7.862 -10.309 -12.220 1.00 0.00 N ATOM 1021 CZ ARG A 64 -7.827 -8.998 -12.476 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -8.942 -8.274 -12.425 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -6.671 -8.409 -12.757 1.00 0.00 N ATOM 0 H ARG A 64 -10.737 -12.378 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.550 -12.045 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.516 -9.782 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.836 -10.263 -9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.295 -12.435 -10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.027 -12.194 -10.385 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.213 -11.838 -12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.947 -10.390 -12.032 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.979 -10.820 -12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.829 -8.719 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.910 -7.274 -12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.811 -8.957 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.643 -7.408 -12.953 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.543 -10.417 -5.777 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.227 -9.446 -4.738 1.00 0.00 C ATOM 1039 C PRO A 65 -6.771 -9.000 -4.760 1.00 0.00 C ATOM 1040 O PRO A 65 -6.434 -7.928 -4.262 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.562 -10.173 -3.438 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.461 -11.624 -3.759 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.752 -11.771 -5.231 1.00 0.00 C ATOM 0 HA PRO A 65 -8.791 -8.523 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.868 -9.897 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.563 -9.916 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.467 -12.003 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.171 -12.201 -3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.086 -12.496 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.771 -12.117 -5.403 1.00 0.00 H new ATOM 1051 N LYS A 66 -5.913 -9.823 -5.329 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.521 -9.476 -5.495 1.00 0.00 C ATOM 1053 C LYS A 66 -4.352 -8.582 -6.709 1.00 0.00 C ATOM 1054 O LYS A 66 -4.465 -9.028 -7.850 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.661 -10.731 -5.631 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.186 -10.445 -5.878 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.368 -11.721 -5.816 1.00 0.00 C ATOM 1058 CE LYS A 66 0.009 -11.554 -6.434 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.801 -12.809 -6.341 1.00 0.00 N ATOM 0 H LYS A 66 -6.162 -10.745 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.190 -8.935 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.758 -11.326 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.046 -11.336 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.061 -9.976 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.819 -9.737 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.262 -12.032 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.902 -12.518 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.093 -11.263 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.541 -10.748 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.736 -12.662 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.918 -13.073 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.304 -13.571 -6.844 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.099 -7.316 -6.450 1.00 0.00 N ATOM 1074 CA ARG A 67 -3.961 -6.332 -7.503 1.00 0.00 C ATOM 1075 C ARG A 67 -2.507 -5.919 -7.596 1.00 0.00 C ATOM 1076 O ARG A 67 -1.969 -5.321 -6.664 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.833 -5.108 -7.206 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.165 -5.445 -6.551 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.039 -6.318 -7.435 1.00 0.00 C ATOM 1080 NE ARG A 67 -7.433 -5.622 -8.659 1.00 0.00 N ATOM 1081 CZ ARG A 67 -8.660 -5.660 -9.178 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.576 -6.488 -8.685 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -8.956 -4.892 -10.218 1.00 0.00 N ATOM 0 H ARG A 67 -3.984 -6.941 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.286 -6.764 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.281 -4.430 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.022 -4.574 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.983 -5.956 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.696 -4.522 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.501 -7.230 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.930 -6.618 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.725 -5.073 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.342 -7.100 -7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.513 -6.511 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.246 -4.277 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.893 -4.917 -10.620 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.861 -6.264 -8.693 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.446 -5.984 -8.834 1.00 0.00 C ATOM 1099 C VAL A 68 -0.231 -4.656 -9.564 1.00 0.00 C ATOM 1100 O VAL A 68 -0.978 -4.304 -10.483 1.00 0.00 O ATOM 1101 CB VAL A 68 0.301 -7.134 -9.561 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.321 -8.490 -9.236 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.360 -6.904 -11.061 1.00 0.00 C ATOM 0 H VAL A 68 -2.288 -6.734 -9.492 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.027 -5.905 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 68 1.326 -7.139 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.224 -9.275 -9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.268 -8.666 -8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.364 -8.498 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.890 -7.730 -11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.653 -6.846 -11.460 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.885 -5.971 -11.266 1.00 0.00 H new ATOM 1113 N CYS A 69 0.766 -3.910 -9.123 1.00 0.00 N ATOM 1114 CA CYS A 69 1.147 -2.662 -9.758 1.00 0.00 C ATOM 1115 C CYS A 69 2.663 -2.643 -9.956 1.00 0.00 C ATOM 1116 O CYS A 69 3.422 -2.652 -8.991 1.00 0.00 O ATOM 1117 CB CYS A 69 0.687 -1.473 -8.905 1.00 0.00 C ATOM 1118 SG CYS A 69 -1.105 -1.379 -8.683 1.00 0.00 S ATOM 0 H CYS A 69 1.335 -4.154 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 69 0.664 -2.580 -10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.162 -1.536 -7.926 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.035 -0.550 -9.369 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.669 -2.389 -9.276 1.00 0.00 H new ATOM 1124 N LYS A 70 3.099 -2.682 -11.208 1.00 0.00 N ATOM 1125 CA LYS A 70 4.526 -2.747 -11.528 1.00 0.00 C ATOM 1126 C LYS A 70 5.010 -1.417 -12.104 1.00 0.00 C ATOM 1127 O LYS A 70 6.146 -1.299 -12.570 1.00 0.00 O ATOM 1128 CB LYS A 70 4.786 -3.859 -12.553 1.00 0.00 C ATOM 1129 CG LYS A 70 4.078 -5.176 -12.260 1.00 0.00 C ATOM 1130 CD LYS A 70 4.176 -6.122 -13.443 1.00 0.00 C ATOM 1131 CE LYS A 70 3.519 -7.459 -13.149 1.00 0.00 C ATOM 1132 NZ LYS A 70 4.154 -8.146 -11.994 1.00 0.00 N ATOM 0 H LYS A 70 2.486 -2.670 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 70 5.070 -2.959 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.476 -3.507 -13.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.859 -4.043 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.520 -5.642 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.030 -4.986 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.702 -5.667 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.224 -6.280 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.460 -7.306 -12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.583 -8.097 -14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.861 -9.144 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.189 -8.090 -12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.857 -7.685 -11.110 1.00 0.00 H new ATOM 1146 N ASP A 71 4.132 -0.431 -12.080 1.00 0.00 N ATOM 1147 CA ASP A 71 4.379 0.860 -12.714 1.00 0.00 C ATOM 1148 C ASP A 71 4.615 1.944 -11.661 1.00 0.00 C ATOM 1149 O ASP A 71 4.628 1.643 -10.472 1.00 0.00 O ATOM 1150 CB ASP A 71 3.166 1.232 -13.584 1.00 0.00 C ATOM 1151 CG ASP A 71 3.087 0.433 -14.867 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.467 -0.651 -14.864 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.632 0.889 -15.894 1.00 0.00 O ATOM 0 H ASP A 71 3.224 -0.499 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 71 5.273 0.787 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.253 1.076 -13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.213 2.294 -13.827 1.00 0.00 H new ATOM 1158 N PRO A 72 4.888 3.200 -12.085 1.00 0.00 N ATOM 1159 CA PRO A 72 4.732 4.409 -11.240 1.00 0.00 C ATOM 1160 C PRO A 72 3.472 4.379 -10.325 1.00 0.00 C ATOM 1161 O PRO A 72 2.741 3.390 -10.333 1.00 0.00 O ATOM 1162 CB PRO A 72 4.626 5.491 -12.312 1.00 0.00 C ATOM 1163 CG PRO A 72 5.570 5.048 -13.370 1.00 0.00 C ATOM 1164 CD PRO A 72 5.502 3.545 -13.390 1.00 0.00 C ATOM 0 HA PRO A 72 5.542 4.541 -10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.609 5.574 -12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.899 6.470 -11.918 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.292 5.463 -14.339 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.583 5.389 -13.156 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.900 3.183 -14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.492 3.101 -13.496 1.00 0.00 H new ATOM 1172 N PRO A 73 3.149 5.499 -9.596 1.00 0.00 N ATOM 1173 CA PRO A 73 2.219 5.524 -8.457 1.00 0.00 C ATOM 1174 C PRO A 73 1.261 4.336 -8.366 1.00 0.00 C ATOM 1175 O PRO A 73 0.333 4.181 -9.166 1.00 0.00 O ATOM 1176 CB PRO A 73 1.468 6.819 -8.731 1.00 0.00 C ATOM 1177 CG PRO A 73 2.509 7.738 -9.301 1.00 0.00 C ATOM 1178 CD PRO A 73 3.635 6.870 -9.824 1.00 0.00 C ATOM 0 HA PRO A 73 2.740 5.463 -7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.648 6.663 -9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.033 7.227 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.088 8.346 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.875 8.425 -8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.828 7.057 -10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.567 7.059 -9.292 1.00 0.00 H new ATOM 1186 N TYR A 74 1.503 3.523 -7.347 1.00 0.00 N ATOM 1187 CA TYR A 74 0.822 2.252 -7.157 1.00 0.00 C ATOM 1188 C TYR A 74 -0.469 2.474 -6.376 1.00 0.00 C ATOM 1189 O TYR A 74 -0.468 3.157 -5.347 1.00 0.00 O ATOM 1190 CB TYR A 74 1.740 1.292 -6.383 1.00 0.00 C ATOM 1191 CG TYR A 74 3.181 1.252 -6.868 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.046 2.313 -6.630 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.682 0.145 -7.536 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.359 2.274 -7.044 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.001 0.095 -7.947 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.834 1.162 -7.699 1.00 0.00 C ATOM 1197 OH TYR A 74 7.148 1.116 -8.101 1.00 0.00 O ATOM 0 H TYR A 74 2.187 3.732 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 74 0.582 1.819 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.734 1.576 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.324 0.286 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.681 3.186 -6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.031 -0.692 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.013 3.113 -6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.376 -0.778 -8.461 1.00 0.00 H new ATOM 0 HH TYR A 74 7.210 1.369 -9.046 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.562 1.908 -6.859 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.863 2.114 -6.241 1.00 0.00 C ATOM 1209 C LYS A 75 -3.819 0.998 -6.597 1.00 0.00 C ATOM 1210 O LYS A 75 -3.588 0.216 -7.522 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.480 3.431 -6.713 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.726 3.465 -8.207 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.495 4.701 -8.645 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.873 5.980 -8.113 1.00 0.00 C ATOM 1215 NZ LYS A 75 -4.568 7.191 -8.624 1.00 0.00 N ATOM 0 H LYS A 75 -1.575 1.301 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.705 2.134 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.423 3.592 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.820 4.254 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.770 3.432 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.280 2.574 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.528 4.740 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.526 4.628 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.908 5.974 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.822 6.018 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.891 7.978 -8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.962 6.994 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.338 7.450 -7.974 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.891 0.953 -5.848 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.035 0.116 -6.167 1.00 0.00 C ATOM 1231 C VAL A 76 -7.310 0.932 -6.035 1.00 0.00 C ATOM 1232 O VAL A 76 -7.551 1.558 -5.004 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.133 -1.141 -5.280 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.527 -1.730 -5.358 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.117 -2.180 -5.707 1.00 0.00 C ATOM 0 H VAL A 76 -5.002 1.497 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.901 -0.230 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.923 -0.848 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.583 -2.617 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.253 -0.993 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.749 -2.004 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.204 -3.058 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.302 -2.465 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.113 -1.765 -5.619 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.099 0.944 -7.090 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.376 1.630 -7.091 1.00 0.00 C ATOM 1247 C GLU A 77 -10.479 0.609 -7.194 1.00 0.00 C ATOM 1248 O GLU A 77 -10.662 -0.018 -8.236 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.468 2.601 -8.256 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.392 3.650 -8.243 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.094 4.187 -9.625 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -7.347 3.526 -10.375 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -8.618 5.266 -9.972 1.00 0.00 O ATOM 0 H GLU A 77 -7.874 0.479 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.474 2.198 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.410 2.043 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.442 3.090 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.697 4.472 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.482 3.228 -7.816 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.208 0.443 -6.119 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.222 -0.596 -6.052 1.00 0.00 C ATOM 1262 C GLU A 78 -13.496 -0.093 -5.411 1.00 0.00 C ATOM 1263 O GLU A 78 -13.582 1.063 -4.993 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.712 -1.818 -5.281 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.124 -2.905 -6.164 1.00 0.00 C ATOM 1266 CD GLU A 78 -11.974 -3.205 -7.385 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.214 -3.290 -7.248 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.407 -3.366 -8.488 1.00 0.00 O ATOM 0 H GLU A 78 -11.123 1.010 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.441 -0.887 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.954 -1.494 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.535 -2.239 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.128 -2.603 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.006 -3.816 -5.578 1.00 0.00 H new ATOM 1275 N SER A 79 -14.475 -0.978 -5.331 1.00 0.00 N ATOM 1276 CA SER A 79 -15.773 -0.635 -4.786 1.00 0.00 C ATOM 1277 C SER A 79 -16.336 -1.813 -3.990 1.00 0.00 C ATOM 1278 O SER A 79 -16.119 -2.977 -4.340 1.00 0.00 O ATOM 1279 CB SER A 79 -16.721 -0.220 -5.918 1.00 0.00 C ATOM 1280 OG SER A 79 -17.945 0.293 -5.413 1.00 0.00 O ATOM 0 H SER A 79 -14.392 -1.947 -5.640 1.00 0.00 H new ATOM 0 HA SER A 79 -15.669 0.210 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.238 0.534 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.922 -1.079 -6.558 1.00 0.00 H new ATOM 0 HG SER A 79 -18.063 1.217 -5.718 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.036 -1.495 -2.913 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.575 -2.496 -2.017 1.00 0.00 C ATOM 1288 C GLY A 80 -18.628 -1.883 -1.118 1.00 0.00 C ATOM 1289 O GLY A 80 -19.295 -0.937 -1.521 1.00 0.00 O ATOM 0 H GLY A 80 -17.245 -0.535 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.009 -3.313 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.774 -2.922 -1.413 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.802 -2.399 0.091 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.780 -1.813 1.007 1.00 0.00 C ATOM 1295 C TYR A 81 -19.356 -1.937 2.470 1.00 0.00 C ATOM 1296 O TYR A 81 -20.164 -1.721 3.374 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.167 -2.437 0.789 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.189 -3.953 0.863 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.356 -4.613 2.074 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.046 -4.724 -0.287 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.378 -5.992 2.141 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.068 -6.106 -0.228 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.234 -6.733 0.988 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.257 -8.110 1.053 1.00 0.00 O ATOM 0 H TYR A 81 -18.293 -3.204 0.458 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.832 -0.748 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.853 -2.039 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.543 -2.127 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.471 -4.037 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -20.916 -4.235 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.507 -6.487 3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -20.956 -6.690 -1.129 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.144 -8.482 0.153 1.00 0.00 H new ATOM 1314 N ALA A 82 -18.086 -2.254 2.702 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.571 -2.396 4.058 1.00 0.00 C ATOM 1316 C ALA A 82 -16.054 -2.255 4.073 1.00 0.00 C ATOM 1317 O ALA A 82 -15.401 -2.399 3.039 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.974 -3.741 4.640 1.00 0.00 C ATOM 0 H ALA A 82 -17.396 -2.417 1.969 1.00 0.00 H new ATOM 0 HA ALA A 82 -18.001 -1.604 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.582 -3.831 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -19.061 -3.816 4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.569 -4.541 4.021 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.504 -1.969 5.250 1.00 0.00 N ATOM 1325 CA GLY A 83 -14.069 -1.824 5.393 1.00 0.00 C ATOM 1326 C GLY A 83 -13.413 -3.082 5.926 1.00 0.00 C ATOM 1327 O GLY A 83 -14.101 -4.023 6.331 1.00 0.00 O ATOM 0 H GLY A 83 -16.033 -1.835 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.634 -1.572 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.855 -0.993 6.065 1.00 0.00 H new ATOM 1331 N PHE A 84 -12.084 -3.097 5.934 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.317 -4.279 6.318 1.00 0.00 C ATOM 1333 C PHE A 84 -9.824 -3.964 6.313 1.00 0.00 C ATOM 1334 O PHE A 84 -9.390 -3.024 5.650 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.610 -5.444 5.351 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.345 -5.126 3.898 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.253 -4.382 3.158 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.192 -5.572 3.273 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -12.015 -4.085 1.832 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.947 -5.282 1.947 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.857 -4.536 1.222 1.00 0.00 C ATOM 0 H PHE A 84 -11.510 -2.295 5.676 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.614 -4.572 7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.003 -6.302 5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.653 -5.740 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.160 -4.030 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.475 -6.155 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.730 -3.502 1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.043 -5.638 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.666 -4.306 0.184 1.00 0.00 H new ATOM 1351 N ILE A 85 -9.048 -4.724 7.080 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.595 -4.645 6.993 1.00 0.00 C ATOM 1353 C ILE A 85 -7.141 -5.120 5.623 1.00 0.00 C ATOM 1354 O ILE A 85 -7.506 -6.217 5.185 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.896 -5.497 8.082 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -7.023 -4.835 9.454 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.427 -5.727 7.741 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.315 -3.500 9.556 1.00 0.00 C ATOM 0 H ILE A 85 -9.398 -5.396 7.763 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.315 -3.604 7.151 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.395 -6.466 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.079 -4.694 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.620 -5.508 10.211 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.962 -6.328 8.523 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.352 -6.251 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.916 -4.767 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.450 -3.092 10.558 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.251 -3.636 9.360 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.733 -2.809 8.824 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.364 -4.297 4.945 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.864 -4.651 3.635 1.00 0.00 C ATOM 1372 C LEU A 86 -4.357 -4.834 3.696 1.00 0.00 C ATOM 1373 O LEU A 86 -3.607 -3.868 3.842 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.242 -3.583 2.605 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.407 -4.110 1.177 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.436 -3.298 0.415 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.099 -4.075 0.431 1.00 0.00 C ATOM 0 H LEU A 86 -6.067 -3.381 5.281 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.320 -5.590 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.174 -3.111 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.476 -2.807 2.607 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.747 -5.143 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.535 -3.692 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.398 -3.360 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.116 -2.257 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.246 -4.455 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.735 -3.049 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.368 -4.696 0.949 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.899 -6.088 3.624 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.481 -6.406 3.641 1.00 0.00 C ATOM 1391 C PRO A 87 -1.823 -6.036 2.320 1.00 0.00 C ATOM 1392 O PRO A 87 -1.933 -6.765 1.327 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.430 -7.924 3.866 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.842 -8.352 4.113 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.724 -7.294 3.518 1.00 0.00 C ATOM 0 HA PRO A 87 -1.945 -5.852 4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.014 -8.434 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.793 -8.171 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.038 -9.322 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.033 -8.459 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.983 -7.518 2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.661 -7.193 4.066 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.168 -4.890 2.300 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.509 -4.424 1.101 1.00 0.00 C ATOM 1405 C ILE A 88 0.968 -4.745 1.180 1.00 0.00 C ATOM 1406 O ILE A 88 1.535 -4.810 2.269 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.677 -2.907 0.892 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.134 -2.489 1.115 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.236 -2.542 -0.515 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.319 -1.013 1.282 1.00 0.00 C ATOM 0 H ILE A 88 -1.080 -4.267 3.103 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.974 -4.933 0.257 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.058 -2.378 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.733 -2.828 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.517 -2.996 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.354 -1.469 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.810 -2.815 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.848 -3.080 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.376 -0.794 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.748 -0.670 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.968 -0.499 0.387 1.00 0.00 H new ATOM 1422 N GLU A 89 1.593 -4.951 0.040 1.00 0.00 N ATOM 1423 CA GLU A 89 3.005 -5.268 0.015 1.00 0.00 C ATOM 1424 C GLU A 89 3.721 -4.433 -1.033 1.00 0.00 C ATOM 1425 O GLU A 89 3.298 -4.363 -2.189 1.00 0.00 O ATOM 1426 CB GLU A 89 3.232 -6.758 -0.246 1.00 0.00 C ATOM 1427 CG GLU A 89 2.393 -7.658 0.649 1.00 0.00 C ATOM 1428 CD GLU A 89 2.581 -9.125 0.357 1.00 0.00 C ATOM 1429 OE1 GLU A 89 2.156 -9.589 -0.717 1.00 0.00 O ATOM 1430 OE2 GLU A 89 3.189 -9.823 1.183 1.00 0.00 O ATOM 0 H GLU A 89 1.149 -4.905 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 89 3.419 -5.029 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.002 -6.977 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.287 -6.990 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.650 -7.465 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.341 -7.402 0.527 1.00 0.00 H new ATOM 1437 N VAL A 90 4.795 -3.795 -0.609 1.00 0.00 N ATOM 1438 CA VAL A 90 5.620 -2.998 -1.503 1.00 0.00 C ATOM 1439 C VAL A 90 6.935 -3.731 -1.712 1.00 0.00 C ATOM 1440 O VAL A 90 7.751 -3.849 -0.800 1.00 0.00 O ATOM 1441 CB VAL A 90 5.866 -1.576 -0.951 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.513 -0.678 -1.996 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.557 -0.972 -0.476 1.00 0.00 C ATOM 0 H VAL A 90 5.121 -3.813 0.358 1.00 0.00 H new ATOM 0 HA VAL A 90 5.100 -2.873 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 90 6.554 -1.654 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.672 0.315 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.471 -1.102 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.860 -0.603 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.738 0.030 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.858 -0.917 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.134 -1.595 0.312 1.00 0.00 H new ATOM 1453 N TYR A 91 7.096 -4.276 -2.897 1.00 0.00 N ATOM 1454 CA TYR A 91 8.176 -5.203 -3.176 1.00 0.00 C ATOM 1455 C TYR A 91 9.498 -4.502 -3.440 1.00 0.00 C ATOM 1456 O TYR A 91 9.549 -3.479 -4.099 1.00 0.00 O ATOM 1457 CB TYR A 91 7.762 -6.077 -4.341 1.00 0.00 C ATOM 1458 CG TYR A 91 6.463 -6.798 -4.047 1.00 0.00 C ATOM 1459 CD1 TYR A 91 5.216 -6.178 -4.087 1.00 0.00 C ATOM 1460 CD2 TYR A 91 6.494 -8.111 -3.696 1.00 0.00 C ATOM 1461 CE1 TYR A 91 4.075 -6.885 -3.778 1.00 0.00 C ATOM 1462 CE2 TYR A 91 5.361 -8.794 -3.389 1.00 0.00 C ATOM 1463 CZ TYR A 91 4.174 -8.198 -3.424 1.00 0.00 C ATOM 1464 OH TYR A 91 3.075 -8.937 -3.090 1.00 0.00 O ATOM 0 H TYR A 91 6.486 -4.092 -3.693 1.00 0.00 H new ATOM 0 HA TYR A 91 8.350 -5.818 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.648 -5.465 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.546 -6.805 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.144 -5.136 -4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.444 -8.624 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.109 -6.403 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.426 -9.836 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 91 3.133 -9.202 -2.148 1.00 0.00 H new ATOM 1474 N PHE A 92 10.565 -5.093 -2.935 1.00 0.00 N ATOM 1475 CA PHE A 92 11.879 -4.466 -2.931 1.00 0.00 C ATOM 1476 C PHE A 92 12.846 -5.177 -3.888 1.00 0.00 C ATOM 1477 O PHE A 92 12.634 -6.337 -4.247 1.00 0.00 O ATOM 1478 CB PHE A 92 12.438 -4.509 -1.507 1.00 0.00 C ATOM 1479 CG PHE A 92 11.682 -3.659 -0.521 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.134 -2.448 -0.907 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.553 -4.053 0.803 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.477 -1.645 0.000 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.884 -3.253 1.713 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.352 -2.050 1.307 1.00 0.00 C ATOM 0 H PHE A 92 10.548 -6.022 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 92 11.775 -3.436 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.433 -5.542 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.478 -4.184 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.223 -2.128 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.978 -4.992 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.061 -0.700 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.780 -3.572 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.835 -1.423 2.018 1.00 0.00 H new ATOM 1494 N LYS A 93 13.902 -4.473 -4.302 1.00 0.00 N ATOM 1495 CA LYS A 93 14.939 -5.053 -5.161 1.00 0.00 C ATOM 1496 C LYS A 93 16.222 -5.322 -4.373 1.00 0.00 C ATOM 1497 O LYS A 93 17.068 -4.431 -4.255 1.00 0.00 O ATOM 1498 CB LYS A 93 15.307 -4.089 -6.294 1.00 0.00 C ATOM 1499 CG LYS A 93 14.143 -3.574 -7.114 1.00 0.00 C ATOM 1500 CD LYS A 93 14.606 -2.444 -8.028 1.00 0.00 C ATOM 1501 CE LYS A 93 13.529 -2.003 -9.009 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.116 -1.327 -10.195 1.00 0.00 N ATOM 0 H LYS A 93 14.062 -3.496 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 93 14.532 -5.983 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.833 -3.236 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.006 -4.591 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.721 -4.384 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.352 -3.218 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.909 -1.592 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.486 -2.769 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.952 -2.870 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.835 -1.327 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.899 -0.311 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.147 -1.461 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.713 -1.736 -11.062 1.00 0.00 H new ATOM 1516 N ASN A 94 16.395 -6.533 -3.862 1.00 0.00 N ATOM 1517 CA ASN A 94 17.638 -6.881 -3.174 1.00 0.00 C ATOM 1518 C ASN A 94 17.901 -8.382 -3.228 1.00 0.00 C ATOM 1519 O ASN A 94 17.044 -9.161 -3.643 1.00 0.00 O ATOM 1520 CB ASN A 94 17.636 -6.376 -1.716 1.00 0.00 C ATOM 1521 CG ASN A 94 16.599 -7.035 -0.817 1.00 0.00 C ATOM 1522 OD1 ASN A 94 16.285 -8.211 -0.954 1.00 0.00 O ATOM 1523 ND2 ASN A 94 16.063 -6.270 0.120 1.00 0.00 N ATOM 0 H ASN A 94 15.705 -7.283 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 94 18.450 -6.379 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.625 -6.539 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.464 -5.300 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.365 -6.656 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.347 -5.294 0.206 1.00 0.00 H new ATOM 1530 N LYS A 95 19.111 -8.768 -2.851 1.00 0.00 N ATOM 1531 CA LYS A 95 19.488 -10.173 -2.760 1.00 0.00 C ATOM 1532 C LYS A 95 19.709 -10.541 -1.294 1.00 0.00 C ATOM 1533 O LYS A 95 19.987 -11.689 -0.947 1.00 0.00 O ATOM 1534 CB LYS A 95 20.758 -10.411 -3.577 1.00 0.00 C ATOM 1535 CG LYS A 95 21.137 -11.872 -3.747 1.00 0.00 C ATOM 1536 CD LYS A 95 22.376 -12.011 -4.620 1.00 0.00 C ATOM 1537 CE LYS A 95 22.748 -13.467 -4.855 1.00 0.00 C ATOM 1538 NZ LYS A 95 22.976 -14.198 -3.581 1.00 0.00 N ATOM 0 H LYS A 95 19.857 -8.120 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 95 18.694 -10.802 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 95 20.628 -9.966 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.586 -9.888 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 95 21.322 -12.320 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.307 -12.418 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.201 -11.523 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 95 23.212 -11.495 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.953 -13.958 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.649 -13.516 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.389 -15.131 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.628 -13.654 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.070 -14.321 -3.085 1.00 0.00 H new ATOM 1552 N GLU A 96 19.554 -9.540 -0.446 1.00 0.00 N ATOM 1553 CA GLU A 96 19.722 -9.682 0.992 1.00 0.00 C ATOM 1554 C GLU A 96 18.354 -9.783 1.668 1.00 0.00 C ATOM 1555 O GLU A 96 17.441 -10.382 1.099 1.00 0.00 O ATOM 1556 CB GLU A 96 20.561 -8.527 1.568 1.00 0.00 C ATOM 1557 CG GLU A 96 20.103 -7.146 1.154 1.00 0.00 C ATOM 1558 CD GLU A 96 20.840 -6.063 1.911 1.00 0.00 C ATOM 1559 OE1 GLU A 96 22.087 -6.013 1.817 1.00 0.00 O ATOM 1560 OE2 GLU A 96 20.187 -5.275 2.614 1.00 0.00 O ATOM 0 H GLU A 96 19.305 -8.595 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 96 20.269 -10.602 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.543 -8.590 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.598 -8.659 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.262 -7.015 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.032 -7.049 1.331 1.00 0.00 H new ATOM 1567 N GLU A 97 18.255 -9.303 2.914 1.00 0.00 N ATOM 1568 CA GLU A 97 17.023 -9.385 3.722 1.00 0.00 C ATOM 1569 C GLU A 97 15.735 -9.059 2.926 1.00 0.00 C ATOM 1570 O GLU A 97 15.808 -8.514 1.832 1.00 0.00 O ATOM 1571 CB GLU A 97 17.137 -8.473 4.953 1.00 0.00 C ATOM 1572 CG GLU A 97 17.448 -7.019 4.648 1.00 0.00 C ATOM 1573 CD GLU A 97 17.461 -6.170 5.905 1.00 0.00 C ATOM 1574 OE1 GLU A 97 16.375 -5.746 6.354 1.00 0.00 O ATOM 1575 OE2 GLU A 97 18.554 -5.946 6.470 1.00 0.00 O ATOM 0 H GLU A 97 19.028 -8.844 3.396 1.00 0.00 H new ATOM 0 HA GLU A 97 16.929 -10.424 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.201 -8.520 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.916 -8.866 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 97 18.417 -6.951 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.706 -6.627 3.952 1.00 0.00 H new ATOM 1582 N PRO A 98 14.541 -9.337 3.510 1.00 0.00 N ATOM 1583 CA PRO A 98 13.244 -9.414 2.807 1.00 0.00 C ATOM 1584 C PRO A 98 13.083 -8.493 1.583 1.00 0.00 C ATOM 1585 O PRO A 98 13.324 -7.283 1.647 1.00 0.00 O ATOM 1586 CB PRO A 98 12.228 -9.036 3.912 1.00 0.00 C ATOM 1587 CG PRO A 98 13.050 -8.765 5.131 1.00 0.00 C ATOM 1588 CD PRO A 98 14.310 -9.544 4.939 1.00 0.00 C ATOM 0 HA PRO A 98 13.114 -10.404 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.646 -8.159 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.519 -9.845 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.258 -7.700 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.528 -9.078 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.129 -9.164 5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.188 -10.598 5.190 1.00 0.00 H new ATOM 1596 N ARG A 99 12.643 -9.096 0.470 1.00 0.00 N ATOM 1597 CA ARG A 99 12.400 -8.381 -0.787 1.00 0.00 C ATOM 1598 C ARG A 99 10.983 -7.856 -0.848 1.00 0.00 C ATOM 1599 O ARG A 99 10.462 -7.543 -1.919 1.00 0.00 O ATOM 1600 CB ARG A 99 12.620 -9.298 -1.981 1.00 0.00 C ATOM 1601 CG ARG A 99 14.055 -9.382 -2.392 1.00 0.00 C ATOM 1602 CD ARG A 99 14.268 -10.420 -3.488 1.00 0.00 C ATOM 1603 NE ARG A 99 13.301 -10.267 -4.577 1.00 0.00 N ATOM 1604 CZ ARG A 99 13.294 -11.010 -5.682 1.00 0.00 C ATOM 1605 NH1 ARG A 99 14.200 -11.965 -5.852 1.00 0.00 N ATOM 1606 NH2 ARG A 99 12.378 -10.790 -6.619 1.00 0.00 N ATOM 0 H ARG A 99 12.446 -10.095 0.418 1.00 0.00 H new ATOM 0 HA ARG A 99 13.102 -7.548 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.258 -10.297 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.026 -8.940 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.390 -8.407 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.667 -9.636 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.279 -10.328 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.182 -11.420 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 99 12.587 -9.545 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.905 -12.132 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.191 -12.532 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.684 -10.054 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.369 -11.357 -7.467 1.00 0.00 H new ATOM 1620 N LYS A 100 10.354 -7.786 0.297 1.00 0.00 N ATOM 1621 CA LYS A 100 8.975 -7.360 0.376 1.00 0.00 C ATOM 1622 C LYS A 100 8.665 -6.807 1.752 1.00 0.00 C ATOM 1623 O LYS A 100 9.177 -7.293 2.761 1.00 0.00 O ATOM 1624 CB LYS A 100 8.040 -8.528 0.045 1.00 0.00 C ATOM 1625 CG LYS A 100 8.316 -9.775 0.874 1.00 0.00 C ATOM 1626 CD LYS A 100 7.511 -10.986 0.407 1.00 0.00 C ATOM 1627 CE LYS A 100 6.014 -10.832 0.656 1.00 0.00 C ATOM 1628 NZ LYS A 100 5.316 -10.071 -0.426 1.00 0.00 N ATOM 0 H LYS A 100 10.776 -8.020 1.196 1.00 0.00 H new ATOM 0 HA LYS A 100 8.815 -6.567 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.008 -8.215 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.138 -8.774 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.379 -10.010 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.083 -9.570 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.683 -11.143 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.871 -11.877 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.563 -11.820 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.860 -10.323 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.079 -9.118 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.939 -9.996 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.443 -10.569 -0.693 1.00 0.00 H new ATOM 1642 N VAL A 101 7.849 -5.777 1.777 1.00 0.00 N ATOM 1643 CA VAL A 101 7.389 -5.203 3.028 1.00 0.00 C ATOM 1644 C VAL A 101 5.865 -5.260 3.078 1.00 0.00 C ATOM 1645 O VAL A 101 5.196 -4.975 2.084 1.00 0.00 O ATOM 1646 CB VAL A 101 7.888 -3.747 3.210 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.329 -2.825 2.134 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.559 -3.233 4.601 1.00 0.00 C ATOM 0 H VAL A 101 7.487 -5.316 0.942 1.00 0.00 H new ATOM 0 HA VAL A 101 7.804 -5.787 3.849 1.00 0.00 H new ATOM 0 HB VAL A 101 8.972 -3.752 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.700 -1.813 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.646 -3.177 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.240 -2.824 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.919 -2.209 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.480 -3.255 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.042 -3.865 5.346 1.00 0.00 H new ATOM 1658 N ARG A 102 5.320 -5.657 4.217 1.00 0.00 N ATOM 1659 CA ARG A 102 3.886 -5.812 4.353 1.00 0.00 C ATOM 1660 C ARG A 102 3.313 -4.704 5.210 1.00 0.00 C ATOM 1661 O ARG A 102 3.676 -4.553 6.377 1.00 0.00 O ATOM 1662 CB ARG A 102 3.545 -7.167 4.970 1.00 0.00 C ATOM 1663 CG ARG A 102 2.043 -7.435 5.029 1.00 0.00 C ATOM 1664 CD ARG A 102 1.736 -8.842 5.518 1.00 0.00 C ATOM 1665 NE ARG A 102 2.104 -9.037 6.920 1.00 0.00 N ATOM 1666 CZ ARG A 102 2.151 -10.228 7.522 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.839 -11.331 6.850 1.00 0.00 N ATOM 1668 NH2 ARG A 102 2.495 -10.315 8.800 1.00 0.00 N ATOM 0 H ARG A 102 5.852 -5.877 5.059 1.00 0.00 H new ATOM 0 HA ARG A 102 3.445 -5.757 3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.027 -7.955 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.957 -7.215 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.571 -6.710 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.610 -7.292 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.672 -9.043 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.272 -9.563 4.901 1.00 0.00 H new ATOM 0 HE ARG A 102 2.339 -8.212 7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.562 -11.270 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.876 -12.239 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.724 -9.471 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.530 -11.226 9.258 1.00 0.00 H new ATOM 1682 N PHE A 103 2.434 -3.922 4.625 1.00 0.00 N ATOM 1683 CA PHE A 103 1.769 -2.869 5.342 1.00 0.00 C ATOM 1684 C PHE A 103 0.299 -3.217 5.539 1.00 0.00 C ATOM 1685 O PHE A 103 -0.514 -3.074 4.623 1.00 0.00 O ATOM 1686 CB PHE A 103 1.921 -1.558 4.580 1.00 0.00 C ATOM 1687 CG PHE A 103 3.350 -1.107 4.422 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.248 -1.190 5.475 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.781 -0.564 3.223 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.548 -0.740 5.332 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.080 -0.120 3.075 1.00 0.00 C ATOM 1692 CZ PHE A 103 5.962 -0.205 4.130 1.00 0.00 C ATOM 0 H PHE A 103 2.164 -4.001 3.644 1.00 0.00 H new ATOM 0 HA PHE A 103 2.224 -2.755 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.474 -1.669 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.360 -0.780 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.929 -1.611 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.093 -0.487 2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.238 -0.807 6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.405 0.294 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.977 0.147 4.016 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.024 -3.721 6.724 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.405 -4.018 7.086 1.00 0.00 C ATOM 1704 C ASP A 104 -2.165 -2.722 7.325 1.00 0.00 C ATOM 1705 O ASP A 104 -2.222 -2.205 8.440 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.468 -4.935 8.321 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.561 -4.484 9.454 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.675 -4.664 9.341 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -1.075 -3.962 10.466 1.00 0.00 O ATOM 0 H ASP A 104 0.656 -3.934 7.454 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.877 -4.552 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.496 -4.976 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.193 -5.948 8.027 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.738 -2.192 6.260 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.386 -0.900 6.316 1.00 0.00 C ATOM 1716 C TYR A 105 -4.873 -1.058 6.581 1.00 0.00 C ATOM 1717 O TYR A 105 -5.538 -1.907 5.988 1.00 0.00 O ATOM 1718 CB TYR A 105 -3.144 -0.153 5.008 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.690 1.253 4.989 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.140 2.247 5.784 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.734 1.585 4.152 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.620 3.544 5.742 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.230 2.865 4.104 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.673 3.848 4.897 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.163 5.138 4.833 1.00 0.00 O ATOM 0 H TYR A 105 -2.766 -2.640 5.344 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.962 -0.322 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -2.072 -0.117 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.595 -0.717 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.323 2.005 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.170 0.824 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.178 4.310 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.054 3.102 3.447 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.077 5.124 4.480 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.387 -0.247 7.486 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.788 -0.315 7.860 1.00 0.00 C ATOM 1737 C ASP A 106 -7.645 0.482 6.883 1.00 0.00 C ATOM 1738 O ASP A 106 -7.641 1.717 6.893 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.975 0.203 9.285 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.402 0.065 9.770 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.799 -1.059 10.132 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -9.134 1.077 9.801 1.00 0.00 O ATOM 0 H ASP A 106 -4.853 0.470 7.978 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.109 -1.356 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.312 -0.343 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.680 1.251 9.329 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.357 -0.228 6.019 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.240 0.403 5.053 1.00 0.00 C ATOM 1749 C LEU A 107 -10.573 0.757 5.701 1.00 0.00 C ATOM 1750 O LEU A 107 -11.458 -0.093 5.813 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.502 -0.536 3.879 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.904 -0.114 2.539 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.393 -0.220 2.557 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.487 -0.962 1.431 1.00 0.00 C ATOM 0 H LEU A 107 -8.339 -1.247 5.969 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.753 1.311 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.113 -1.522 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.580 -0.641 3.757 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.158 0.931 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.995 0.087 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.992 0.428 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.103 -1.251 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.058 -0.658 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.255 -2.011 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.568 -0.829 1.402 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.723 1.997 6.136 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.994 2.434 6.701 1.00 0.00 C ATOM 1768 C PHE A 108 -12.766 3.271 5.687 1.00 0.00 C ATOM 1769 O PHE A 108 -12.176 3.997 4.888 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.809 3.211 8.021 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.043 4.506 7.901 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.690 5.677 7.536 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.684 4.555 8.169 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -10.998 6.868 7.437 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -8.988 5.746 8.074 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.646 6.903 7.707 1.00 0.00 C ATOM 0 H PHE A 108 -9.995 2.711 6.111 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.571 1.539 6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.793 3.426 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.294 2.567 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.749 5.657 7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.163 3.653 8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.515 7.771 7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.929 5.771 8.287 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.103 7.834 7.632 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.080 3.146 5.707 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.942 3.898 4.807 1.00 0.00 C ATOM 1788 C LEU A 109 -15.940 4.689 5.646 1.00 0.00 C ATOM 1789 O LEU A 109 -16.310 4.247 6.730 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.678 2.941 3.862 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.791 1.907 3.155 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.617 1.031 2.230 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.680 2.589 2.374 1.00 0.00 C ATOM 0 H LEU A 109 -14.580 2.525 6.343 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.347 4.581 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.442 2.412 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.195 3.530 3.105 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.339 1.276 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.968 0.306 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.376 0.505 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.101 1.652 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.065 1.835 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.115 3.249 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.062 3.173 3.056 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.374 5.847 5.166 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.242 6.715 5.963 1.00 0.00 C ATOM 1807 C HIS A 110 -18.718 6.456 5.647 1.00 0.00 C ATOM 1808 O HIS A 110 -19.057 5.947 4.577 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.890 8.187 5.723 1.00 0.00 C ATOM 1810 CG HIS A 110 -17.294 9.103 6.843 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -18.505 9.586 7.206 1.00 0.00 N flip ATOM 1812 CD2 HIS A 110 -16.395 9.629 7.741 1.00 0.00 C flip ATOM 1813 CE1 HIS A 110 -18.319 10.384 8.306 1.00 0.00 C flip ATOM 1814 NE2 HIS A 110 -17.034 10.391 8.606 1.00 0.00 N flip ATOM 0 H HIS A 110 -16.145 6.207 4.240 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.078 6.485 7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -15.814 8.272 5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.372 8.520 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.331 9.446 7.738 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -19.094 10.917 8.837 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -16.606 10.901 9.379 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.578 6.807 6.602 1.00 0.00 N ATOM 1824 CA LEU A 111 -21.021 6.579 6.515 1.00 0.00 C ATOM 1825 C LEU A 111 -21.669 7.177 5.271 1.00 0.00 C ATOM 1826 O LEU A 111 -21.380 8.315 4.856 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.708 7.132 7.764 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.309 6.064 8.673 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.516 5.420 8.017 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.269 5.013 8.981 1.00 0.00 C ATOM 0 H LEU A 111 -19.290 7.263 7.468 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.154 5.499 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.985 7.714 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.498 7.818 7.457 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.632 6.537 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.930 4.661 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.272 6.180 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.215 4.955 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.702 4.252 9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.934 4.550 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.420 5.477 9.482 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.227 10.716 3.061 1.00 0.00 N ATOM 1911 CA VAL A 117 -12.108 9.883 3.475 1.00 0.00 C ATOM 1912 C VAL A 117 -10.874 10.143 2.623 1.00 0.00 C ATOM 1913 O VAL A 117 -10.869 9.868 1.425 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.463 8.384 3.429 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.229 7.534 3.673 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.540 8.056 4.449 1.00 0.00 C ATOM 0 HA VAL A 117 -11.885 10.154 4.507 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.848 8.157 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.501 6.479 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.485 7.744 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.814 7.768 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.776 6.993 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.182 8.302 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.436 8.637 4.231 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.847 10.699 3.250 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.569 10.936 2.592 1.00 0.00 C ATOM 1928 C ASN A 118 -7.440 10.788 3.613 1.00 0.00 C ATOM 1929 O ASN A 118 -7.190 11.704 4.397 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.542 12.339 1.976 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.405 12.540 0.985 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.623 12.515 -0.225 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -6.182 12.711 1.474 1.00 0.00 N ATOM 0 H ASN A 118 -9.875 10.998 4.225 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.434 10.206 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.491 12.525 1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.454 13.077 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.391 12.826 0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.034 12.727 2.483 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.770 9.643 3.625 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.740 9.385 4.630 1.00 0.00 C ATOM 1942 C HIS A 119 -4.420 8.975 3.982 1.00 0.00 C ATOM 1943 O HIS A 119 -4.399 8.167 3.055 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.205 8.283 5.586 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.381 8.151 6.835 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -5.166 6.943 7.471 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.723 9.081 7.571 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.413 7.139 8.539 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.133 8.425 8.620 1.00 0.00 N ATOM 0 H HIS A 119 -6.917 8.884 2.959 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.577 10.309 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.240 8.477 5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.192 7.331 5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.673 10.141 7.368 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.083 6.376 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.567 8.862 9.348 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.335 9.536 4.494 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.981 9.227 4.040 1.00 0.00 C ATOM 1960 C LEU A 120 -1.014 9.231 5.225 1.00 0.00 C ATOM 1961 O LEU A 120 -1.140 10.047 6.136 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.530 10.231 2.968 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.917 9.874 1.537 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.794 11.084 0.638 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -1.016 8.772 1.014 1.00 0.00 C ATOM 0 H LEU A 120 -3.367 10.226 5.244 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.980 8.232 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.951 11.207 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.446 10.330 3.020 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.952 9.532 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.074 10.811 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.455 11.873 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.764 11.441 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.300 8.524 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.020 9.110 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.119 7.888 1.644 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.061 8.311 5.206 1.00 0.00 N ATOM 1978 CA ARG A 121 0.887 8.140 6.310 1.00 0.00 C ATOM 1979 C ARG A 121 2.312 7.984 5.775 1.00 0.00 C ATOM 1980 O ARG A 121 2.484 7.727 4.576 1.00 0.00 O ATOM 1981 CB ARG A 121 0.483 6.933 7.194 1.00 0.00 C ATOM 1982 CG ARG A 121 0.212 5.616 6.445 1.00 0.00 C ATOM 1983 CD ARG A 121 1.411 4.643 6.447 1.00 0.00 C ATOM 1984 NE ARG A 121 2.628 5.319 6.042 1.00 0.00 N ATOM 1985 CZ ARG A 121 3.392 4.959 5.016 1.00 0.00 C ATOM 1986 NH1 ARG A 121 3.424 3.732 4.579 1.00 0.00 N ATOM 1987 NH2 ARG A 121 4.180 5.834 4.465 1.00 0.00 N ATOM 0 H ARG A 121 0.081 7.662 4.432 1.00 0.00 H new ATOM 0 HA ARG A 121 0.859 9.034 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.275 6.759 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.412 7.201 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.647 5.121 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.058 5.844 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.540 4.220 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.210 3.811 5.772 1.00 0.00 H new ATOM 0 HE ARG A 121 2.920 6.132 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.852 3.016 5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.021 3.487 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.209 6.790 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.769 5.565 3.677 1.00 0.00 H new ATOM 2001 N CYS A 122 3.321 8.105 6.672 1.00 0.00 N ATOM 2002 CA CYS A 122 4.743 7.911 6.315 1.00 0.00 C ATOM 2003 C CYS A 122 5.406 6.757 7.123 1.00 0.00 C ATOM 2004 O CYS A 122 5.414 6.780 8.353 1.00 0.00 O ATOM 2005 CB CYS A 122 5.519 9.213 6.527 1.00 0.00 C ATOM 2006 SG CYS A 122 5.453 9.855 8.216 1.00 0.00 S ATOM 0 H CYS A 122 3.172 8.338 7.654 1.00 0.00 H new ATOM 0 HA CYS A 122 4.777 7.629 5.263 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.561 9.049 6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 122 5.127 9.970 5.848 1.00 0.00 H new ATOM 0 HG CYS A 122 5.361 8.865 9.053 1.00 0.00 H new ATOM 2012 N GLU A 123 5.943 5.735 6.414 1.00 0.00 N ATOM 2013 CA GLU A 123 6.649 4.610 7.043 1.00 0.00 C ATOM 2014 C GLU A 123 8.130 4.666 6.701 1.00 0.00 C ATOM 2015 O GLU A 123 8.512 5.212 5.664 1.00 0.00 O ATOM 2016 CB GLU A 123 6.088 3.264 6.560 1.00 0.00 C ATOM 2017 CG GLU A 123 4.684 2.960 7.052 1.00 0.00 C ATOM 2018 CD GLU A 123 4.648 2.392 8.454 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.873 1.174 8.615 1.00 0.00 O ATOM 2020 OE2 GLU A 123 4.394 3.161 9.401 1.00 0.00 O ATOM 0 H GLU A 123 5.896 5.674 5.397 1.00 0.00 H new ATOM 0 HA GLU A 123 6.506 4.692 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.089 3.253 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.756 2.467 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.091 3.874 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.213 2.253 6.369 1.00 0.00 H new ATOM 2027 N LYS A 124 8.946 4.072 7.553 1.00 0.00 N ATOM 2028 CA LYS A 124 10.384 4.124 7.407 1.00 0.00 C ATOM 2029 C LYS A 124 10.985 2.727 7.505 1.00 0.00 C ATOM 2030 O LYS A 124 10.627 1.952 8.394 1.00 0.00 O ATOM 2031 CB LYS A 124 10.957 5.005 8.503 1.00 0.00 C ATOM 2032 CG LYS A 124 12.448 5.253 8.376 1.00 0.00 C ATOM 2033 CD LYS A 124 12.954 6.130 9.484 1.00 0.00 C ATOM 2034 CE LYS A 124 12.256 7.468 9.448 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.157 8.578 9.859 1.00 0.00 N ATOM 0 H LYS A 124 8.628 3.541 8.364 1.00 0.00 H new ATOM 0 HA LYS A 124 10.630 4.535 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.437 5.963 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.757 4.542 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.979 4.301 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.660 5.720 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.783 5.648 10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.030 6.270 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.885 7.656 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.388 7.442 10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.638 9.479 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.491 8.412 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.972 8.620 9.215 1.00 0.00 H new ATOM 2049 N LEU A 125 11.888 2.409 6.596 1.00 0.00 N ATOM 2050 CA LEU A 125 12.574 1.127 6.619 1.00 0.00 C ATOM 2051 C LEU A 125 14.084 1.347 6.720 1.00 0.00 C ATOM 2052 O LEU A 125 14.692 1.902 5.805 1.00 0.00 O ATOM 2053 CB LEU A 125 12.243 0.350 5.345 1.00 0.00 C ATOM 2054 CG LEU A 125 10.751 0.285 4.989 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.551 0.314 3.482 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.116 -0.970 5.578 1.00 0.00 C ATOM 0 H LEU A 125 12.165 3.022 5.829 1.00 0.00 H new ATOM 0 HA LEU A 125 12.243 0.555 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.780 0.804 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.620 -0.667 5.451 1.00 0.00 H new ATOM 0 HG LEU A 125 10.264 1.161 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.486 0.267 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.968 1.236 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.056 -0.540 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.058 -1.000 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.614 -1.853 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.221 -0.956 6.663 1.00 0.00 H new ATOM 2068 N THR A 126 14.678 0.935 7.835 1.00 0.00 N ATOM 2069 CA THR A 126 16.113 1.096 8.038 1.00 0.00 C ATOM 2070 C THR A 126 16.842 -0.211 7.748 1.00 0.00 C ATOM 2071 O THR A 126 16.476 -1.265 8.267 1.00 0.00 O ATOM 2072 CB THR A 126 16.443 1.531 9.478 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.328 2.236 10.050 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.665 2.431 9.491 1.00 0.00 C ATOM 0 H THR A 126 14.189 0.488 8.611 1.00 0.00 H new ATOM 0 HA THR A 126 16.444 1.874 7.350 1.00 0.00 H new ATOM 0 HB THR A 126 16.649 0.638 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.547 2.507 10.966 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.886 2.730 10.516 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.518 1.892 9.079 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.470 3.318 8.888 1.00 0.00 H new ATOM 2082 N PHE A 127 17.856 -0.139 6.909 1.00 0.00 N ATOM 2083 CA PHE A 127 18.656 -1.306 6.573 1.00 0.00 C ATOM 2084 C PHE A 127 20.090 -1.103 7.033 1.00 0.00 C ATOM 2085 O PHE A 127 20.840 -0.329 6.437 1.00 0.00 O ATOM 2086 CB PHE A 127 18.594 -1.561 5.067 1.00 0.00 C ATOM 2087 CG PHE A 127 17.188 -1.748 4.578 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.569 -2.990 4.629 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.471 -0.667 4.093 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.267 -3.143 4.208 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.172 -0.815 3.665 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.565 -2.055 3.724 1.00 0.00 C ATOM 0 H PHE A 127 18.149 0.720 6.443 1.00 0.00 H new ATOM 0 HA PHE A 127 18.255 -2.180 7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 127 19.051 -0.724 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.181 -2.448 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.114 -3.844 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.938 0.306 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.794 -4.113 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.628 0.036 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.544 -2.174 3.393 1.00 0.00 H new ATOM 2102 N ASN A 128 20.456 -1.790 8.105 1.00 0.00 N ATOM 2103 CA ASN A 128 21.757 -1.595 8.728 1.00 0.00 C ATOM 2104 C ASN A 128 22.840 -2.326 7.952 1.00 0.00 C ATOM 2105 O ASN A 128 22.820 -3.554 7.860 1.00 0.00 O ATOM 2106 CB ASN A 128 21.744 -2.091 10.177 1.00 0.00 C ATOM 2107 CG ASN A 128 20.764 -1.334 11.054 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.106 -0.317 11.655 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.540 -1.834 11.143 1.00 0.00 N ATOM 0 H ASN A 128 19.870 -2.488 8.562 1.00 0.00 H new ATOM 0 HA ASN A 128 21.973 -0.527 8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.491 -3.151 10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.746 -1.997 10.596 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.842 -1.373 11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.296 -2.680 10.628 1.00 0.00 H new ATOM 2116 N ASN A 129 23.786 -1.562 7.411 1.00 0.00 N ATOM 2117 CA ASN A 129 24.915 -2.122 6.663 1.00 0.00 C ATOM 2118 C ASN A 129 24.444 -3.039 5.534 1.00 0.00 C ATOM 2119 O ASN A 129 24.646 -4.256 5.588 1.00 0.00 O ATOM 2120 CB ASN A 129 25.861 -2.888 7.594 1.00 0.00 C ATOM 2121 CG ASN A 129 26.640 -1.967 8.522 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.054 -0.882 8.116 1.00 0.00 O ATOM 2123 ND2 ASN A 129 26.814 -2.356 9.786 1.00 0.00 N ATOM 0 H ASN A 129 23.795 -0.544 7.476 1.00 0.00 H new ATOM 0 HA ASN A 129 25.453 -1.284 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.284 -3.595 8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.561 -3.471 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 129 27.301 -1.748 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 129 26.460 -3.261 10.094 1.00 0.00 H new ATOM 2130 N PRO A 130 23.817 -2.473 4.494 1.00 0.00 N ATOM 2131 CA PRO A 130 23.331 -3.248 3.362 1.00 0.00 C ATOM 2132 C PRO A 130 24.419 -3.448 2.311 1.00 0.00 C ATOM 2133 O PRO A 130 25.455 -2.778 2.344 1.00 0.00 O ATOM 2134 CB PRO A 130 22.197 -2.381 2.819 1.00 0.00 C ATOM 2135 CG PRO A 130 22.554 -0.974 3.182 1.00 0.00 C ATOM 2136 CD PRO A 130 23.547 -1.035 4.321 1.00 0.00 C ATOM 0 HA PRO A 130 23.015 -4.254 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.100 -2.494 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.241 -2.668 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.985 -0.455 2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.665 -0.417 3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.458 -0.485 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 130 23.137 -0.595 5.230 1.00 0.00 H new ATOM 2144 N THR A 131 24.202 -4.390 1.401 1.00 0.00 N ATOM 2145 CA THR A 131 25.123 -4.592 0.294 1.00 0.00 C ATOM 2146 C THR A 131 25.188 -3.326 -0.566 1.00 0.00 C ATOM 2147 O THR A 131 24.225 -2.551 -0.594 1.00 0.00 O ATOM 2148 CB THR A 131 24.736 -5.815 -0.583 1.00 0.00 C ATOM 2149 OG1 THR A 131 25.693 -5.992 -1.634 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.340 -5.663 -1.180 1.00 0.00 C ATOM 0 H THR A 131 23.401 -5.021 1.409 1.00 0.00 H new ATOM 0 HA THR A 131 26.104 -4.800 0.720 1.00 0.00 H new ATOM 0 HB THR A 131 24.733 -6.693 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 131 25.441 -6.766 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.106 -6.538 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 131 22.609 -5.572 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.306 -4.770 -1.804 1.00 0.00 H new ATOM 2158 N GLU A 132 26.308 -3.110 -1.251 1.00 0.00 N ATOM 2159 CA GLU A 132 26.541 -1.852 -1.968 1.00 0.00 C ATOM 2160 C GLU A 132 25.393 -1.566 -2.927 1.00 0.00 C ATOM 2161 O GLU A 132 24.875 -0.447 -2.984 1.00 0.00 O ATOM 2162 CB GLU A 132 27.852 -1.892 -2.757 1.00 0.00 C ATOM 2163 CG GLU A 132 28.435 -0.520 -3.031 1.00 0.00 C ATOM 2164 CD GLU A 132 28.778 0.219 -1.757 1.00 0.00 C ATOM 2165 OE1 GLU A 132 29.758 -0.173 -1.089 1.00 0.00 O ATOM 2166 OE2 GLU A 132 28.064 1.184 -1.405 1.00 0.00 O ATOM 0 H GLU A 132 27.069 -3.785 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 132 26.605 -1.060 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.581 -2.484 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.681 -2.401 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 132 29.332 -0.623 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.722 0.067 -3.609 1.00 0.00 H new ATOM 2173 N ASP A 133 24.986 -2.605 -3.648 1.00 0.00 N ATOM 2174 CA ASP A 133 23.946 -2.496 -4.662 1.00 0.00 C ATOM 2175 C ASP A 133 22.642 -2.011 -4.053 1.00 0.00 C ATOM 2176 O ASP A 133 21.957 -1.165 -4.627 1.00 0.00 O ATOM 2177 CB ASP A 133 23.727 -3.847 -5.341 1.00 0.00 C ATOM 2178 CG ASP A 133 25.011 -4.423 -5.900 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.751 -5.088 -5.143 1.00 0.00 O ATOM 2180 OD2 ASP A 133 25.290 -4.216 -7.098 1.00 0.00 O ATOM 0 H ASP A 133 25.368 -3.545 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 133 24.274 -1.768 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.299 -4.547 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 133 23.001 -3.733 -6.146 1.00 0.00 H new ATOM 2185 N PHE A 134 22.306 -2.538 -2.880 1.00 0.00 N ATOM 2186 CA PHE A 134 21.083 -2.144 -2.205 1.00 0.00 C ATOM 2187 C PHE A 134 21.177 -0.692 -1.781 1.00 0.00 C ATOM 2188 O PHE A 134 20.302 0.115 -2.091 1.00 0.00 O ATOM 2189 CB PHE A 134 20.809 -3.013 -0.974 1.00 0.00 C ATOM 2190 CG PHE A 134 19.385 -2.892 -0.499 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.349 -2.850 -1.416 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.076 -2.813 0.851 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.046 -2.735 -1.001 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.765 -2.698 1.267 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.751 -2.661 0.338 1.00 0.00 C ATOM 0 H PHE A 134 22.862 -3.234 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 134 20.260 -2.279 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.024 -4.055 -1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.485 -2.724 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.569 -2.908 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.869 -2.842 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.250 -2.703 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.535 -2.637 2.321 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.724 -2.574 0.661 1.00 0.00 H new ATOM 2205 N ARG A 135 22.264 -0.378 -1.090 1.00 0.00 N ATOM 2206 CA ARG A 135 22.516 0.969 -0.603 1.00 0.00 C ATOM 2207 C ARG A 135 22.403 1.988 -1.724 1.00 0.00 C ATOM 2208 O ARG A 135 21.725 3.001 -1.584 1.00 0.00 O ATOM 2209 CB ARG A 135 23.902 1.036 0.031 1.00 0.00 C ATOM 2210 CG ARG A 135 24.350 2.441 0.366 1.00 0.00 C ATOM 2211 CD ARG A 135 25.763 2.448 0.940 1.00 0.00 C ATOM 2212 NE ARG A 135 25.869 1.614 2.134 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.635 0.526 2.225 1.00 0.00 C ATOM 2214 NH1 ARG A 135 27.367 0.126 1.191 1.00 0.00 N ATOM 2215 NH2 ARG A 135 26.663 -0.159 3.360 1.00 0.00 N ATOM 0 H ARG A 135 22.994 -1.049 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 135 21.762 1.210 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 135 23.905 0.437 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.625 0.586 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 135 24.316 3.060 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 135 23.661 2.884 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.464 2.092 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 135 26.051 3.471 1.184 1.00 0.00 H new ATOM 0 HE ARG A 135 25.321 1.881 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 135 27.346 0.652 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 135 27.950 -0.707 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.102 0.147 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.246 -0.992 3.439 1.00 0.00 H new ATOM 2229 N ARG A 136 23.059 1.697 -2.838 1.00 0.00 N ATOM 2230 CA ARG A 136 23.037 2.547 -4.000 1.00 0.00 C ATOM 2231 C ARG A 136 21.620 2.887 -4.435 1.00 0.00 C ATOM 2232 O ARG A 136 21.299 4.052 -4.677 1.00 0.00 O ATOM 2233 CB ARG A 136 23.766 1.842 -5.111 1.00 0.00 C ATOM 2234 CG ARG A 136 25.242 2.160 -5.158 1.00 0.00 C ATOM 2235 CD ARG A 136 26.017 1.119 -5.948 1.00 0.00 C ATOM 2236 NE ARG A 136 27.458 1.312 -5.816 1.00 0.00 N ATOM 2237 CZ ARG A 136 28.375 0.585 -6.454 1.00 0.00 C ATOM 2238 NH1 ARG A 136 28.008 -0.396 -7.272 1.00 0.00 N ATOM 2239 NH2 ARG A 136 29.665 0.836 -6.257 1.00 0.00 N ATOM 0 H ARG A 136 23.624 0.855 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 136 23.525 3.490 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.637 0.766 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 136 23.313 2.116 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 136 25.388 3.142 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.635 2.213 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.749 0.122 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.736 1.175 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 136 27.785 2.052 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 136 27.018 -0.597 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 136 28.716 -0.948 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 136 29.948 1.581 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 136 30.372 0.283 -6.742 1.00 0.00 H new ATOM 2253 N LYS A 137 20.770 1.875 -4.522 1.00 0.00 N ATOM 2254 CA LYS A 137 19.396 2.082 -4.951 1.00 0.00 C ATOM 2255 C LYS A 137 18.660 2.959 -3.948 1.00 0.00 C ATOM 2256 O LYS A 137 17.955 3.903 -4.315 1.00 0.00 O ATOM 2257 CB LYS A 137 18.664 0.752 -5.091 1.00 0.00 C ATOM 2258 CG LYS A 137 19.325 -0.212 -6.060 1.00 0.00 C ATOM 2259 CD LYS A 137 18.599 -1.546 -6.109 1.00 0.00 C ATOM 2260 CE LYS A 137 19.496 -2.628 -6.683 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.796 -3.932 -6.807 1.00 0.00 N ATOM 0 H LYS A 137 21.006 0.907 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 137 19.417 2.576 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.598 0.279 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.643 0.943 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.343 0.229 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.362 -0.372 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 137 18.278 -1.828 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.699 -1.453 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 137 19.856 -2.316 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 137 20.372 -2.747 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.497 -4.694 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 18.220 -4.099 -5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.181 -3.917 -7.645 1.00 0.00 H new ATOM 2275 N LEU A 138 18.848 2.626 -2.680 1.00 0.00 N ATOM 2276 CA LEU A 138 18.242 3.351 -1.566 1.00 0.00 C ATOM 2277 C LEU A 138 18.613 4.837 -1.590 1.00 0.00 C ATOM 2278 O LEU A 138 17.815 5.691 -1.206 1.00 0.00 O ATOM 2279 CB LEU A 138 18.680 2.741 -0.233 1.00 0.00 C ATOM 2280 CG LEU A 138 18.469 1.233 -0.077 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.731 0.802 1.356 1.00 0.00 C ATOM 2282 CD2 LEU A 138 17.071 0.835 -0.503 1.00 0.00 C ATOM 0 H LEU A 138 19.429 1.840 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 138 17.161 3.265 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.739 2.955 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.142 3.247 0.568 1.00 0.00 H new ATOM 0 HG LEU A 138 19.180 0.724 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.576 -0.273 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.759 1.044 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 138 18.047 1.325 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.946 -0.241 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.340 1.356 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.919 1.103 -1.549 1.00 0.00 H new ATOM 2294 N LEU A 139 19.831 5.134 -2.036 1.00 0.00 N ATOM 2295 CA LEU A 139 20.321 6.509 -2.096 1.00 0.00 C ATOM 2296 C LEU A 139 19.761 7.235 -3.316 1.00 0.00 C ATOM 2297 O LEU A 139 19.457 8.427 -3.260 1.00 0.00 O ATOM 2298 CB LEU A 139 21.850 6.519 -2.155 1.00 0.00 C ATOM 2299 CG LEU A 139 22.546 5.738 -1.044 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.036 5.618 -1.324 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.302 6.407 0.297 1.00 0.00 C ATOM 0 H LEU A 139 20.500 4.437 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 139 19.986 7.027 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.164 6.111 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.193 7.553 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 139 22.128 4.732 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.513 5.058 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.188 5.097 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.476 6.613 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.803 5.841 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.696 7.423 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.231 6.438 0.499 1.00 0.00 H new ATOM 2313 N LYS A 140 19.640 6.505 -4.417 1.00 0.00 N ATOM 2314 CA LYS A 140 19.142 7.055 -5.673 1.00 0.00 C ATOM 2315 C LYS A 140 17.684 7.464 -5.572 1.00 0.00 C ATOM 2316 O LYS A 140 17.217 8.313 -6.331 1.00 0.00 O ATOM 2317 CB LYS A 140 19.292 6.028 -6.778 1.00 0.00 C ATOM 2318 CG LYS A 140 20.285 6.428 -7.844 1.00 0.00 C ATOM 2319 CD LYS A 140 20.962 5.212 -8.441 1.00 0.00 C ATOM 2320 CE LYS A 140 22.090 4.724 -7.557 1.00 0.00 C ATOM 2321 NZ LYS A 140 23.206 5.706 -7.480 1.00 0.00 N ATOM 0 H LYS A 140 19.884 5.516 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 140 19.731 7.944 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.603 5.079 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.320 5.862 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.775 6.987 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.035 7.092 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 140 20.231 4.415 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 140 21.351 5.458 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.707 4.532 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 140 22.467 3.776 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 24.087 5.212 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 23.320 6.175 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.992 6.418 -6.753 1.00 0.00 H new ATOM 2335 N ALA A 141 16.981 6.828 -4.652 1.00 0.00 N ATOM 2336 CA ALA A 141 15.564 7.070 -4.423 1.00 0.00 C ATOM 2337 C ALA A 141 15.241 8.556 -4.311 1.00 0.00 C ATOM 2338 O ALA A 141 15.640 9.177 -3.307 1.00 0.00 O ATOM 2339 CB ALA A 141 15.131 6.349 -3.169 1.00 0.00 C ATOM 2340 OXT ALA A 141 14.577 9.093 -5.224 1.00 0.00 O ATOM 0 H ALA A 141 17.380 6.121 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 141 15.016 6.688 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.070 6.528 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.304 5.279 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.706 6.719 -2.320 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.146 3.414 8.471 1.00 0.00 N ATOM 2386 CA ALA B 215 -19.226 2.515 8.091 1.00 0.00 C ATOM 2387 C ALA B 215 -18.930 1.085 8.545 1.00 0.00 C ATOM 2388 O ALA B 215 -17.836 0.816 9.047 1.00 0.00 O ATOM 2389 CB ALA B 215 -19.426 2.589 6.581 1.00 0.00 C ATOM 0 HA ALA B 215 -20.147 2.823 8.586 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -20.234 1.918 6.288 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -19.681 3.610 6.297 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -18.506 2.292 6.077 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.892 0.148 8.395 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.693 -1.250 8.789 1.00 0.00 C ATOM 2397 C PRO B 216 -18.531 -1.892 8.041 1.00 0.00 C ATOM 2398 O PRO B 216 -18.060 -1.372 7.023 1.00 0.00 O ATOM 2399 CB PRO B 216 -21.015 -1.938 8.433 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.700 -1.016 7.487 1.00 0.00 C ATOM 2401 CD PRO B 216 -21.236 0.367 7.835 1.00 0.00 C ATOM 0 HA PRO B 216 -19.442 -1.339 9.846 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.840 -2.912 7.975 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.621 -2.109 9.323 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.450 -1.262 6.455 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.783 -1.098 7.580 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -21.205 1.013 6.957 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.899 0.843 8.557 1.00 0.00 H new ATOM 2409 N ARG B 217 -18.061 -3.016 8.546 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.870 -3.640 8.005 1.00 0.00 C ATOM 2411 C ARG B 217 -17.030 -5.148 7.893 1.00 0.00 C ATOM 2412 O ARG B 217 -18.003 -5.725 8.383 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.667 -3.317 8.894 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.314 -1.839 8.948 1.00 0.00 C ATOM 2415 CD ARG B 217 -14.193 -1.568 9.937 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.019 -2.392 9.667 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.767 -1.953 9.737 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.516 -0.683 10.035 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -10.762 -2.783 9.508 1.00 0.00 N ATOM 0 H ARG B 217 -18.485 -3.515 9.328 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.710 -3.242 7.003 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -15.872 -3.668 9.905 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.802 -3.873 8.533 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -15.015 -1.499 7.956 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -16.196 -1.264 9.230 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.916 -0.515 9.892 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -14.547 -1.761 10.950 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.169 -3.367 9.408 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -12.287 -0.039 10.212 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.553 -0.352 10.087 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -10.949 -3.759 9.278 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -9.801 -2.447 9.562 1.00 0.00 H new