USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 940 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 66 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.0669) USER MOD Set 1.2: A 117 ASN : amide:sc= -1.25 K(o=-1.3,f=-3) USER MOD Single : A 8 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -71:sc= 0.503 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -11.1! C(o=-11!,f=-21!) USER MOD Single : A 34 SER OG : rot -25:sc= 0.0562 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -140:sc= -0.465 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -1.01 (180deg=-2.38!) USER MOD Single : A 48 MET CE :methyl -140:sc= -2.86! (180deg=-3.76!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -0.269 (180deg=-1.12!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 61 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.2!) USER MOD Single : A 62 TYR OH : rot 14:sc= 0.00193 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 77 SER OG : rot 81:sc= 0.13 USER MOD Single : A 78 ASN : amide:sc= -1.37 K(o=-1.4,f=-12!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= -0.358 (180deg=-2.14!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 105 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0.031) USER MOD Single : A 118 LYS NZ :NH3+ 136:sc= 0.237 (180deg=-2.72!) USER MOD Single : A 120 CYS SG : rot 160:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.445 18.336 4.151 1.00 0.00 N ATOM 60 CA GLY A 7 1.438 17.999 5.155 1.00 0.00 C ATOM 61 C GLY A 7 0.880 17.103 6.243 1.00 0.00 C ATOM 62 O GLY A 7 1.075 15.888 6.217 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.281 17.502 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.822 18.915 5.604 1.00 0.00 H new ATOM 66 N ASN A 8 0.186 17.704 7.204 1.00 0.00 N ATOM 67 CA ASN A 8 -0.399 16.952 8.308 1.00 0.00 C ATOM 68 C ASN A 8 -1.374 15.898 7.792 1.00 0.00 C ATOM 69 O ASN A 8 -1.367 14.753 8.248 1.00 0.00 O ATOM 70 CB ASN A 8 -1.117 17.898 9.273 1.00 0.00 C ATOM 71 CG ASN A 8 -0.201 18.979 9.812 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.097 20.064 9.238 1.00 0.00 O ATOM 73 ND2 ASN A 8 0.470 18.688 10.920 1.00 0.00 N ATOM 0 H ASN A 8 0.015 18.709 7.241 1.00 0.00 H new ATOM 0 HA ASN A 8 0.408 16.446 8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.961 18.362 8.762 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.525 17.323 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.102 19.376 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.353 17.776 11.362 1.00 0.00 H new ATOM 80 N THR A 9 -2.212 16.291 6.838 1.00 0.00 N ATOM 81 CA THR A 9 -3.193 15.381 6.260 1.00 0.00 C ATOM 82 C THR A 9 -2.528 14.110 5.746 1.00 0.00 C ATOM 83 O THR A 9 -3.131 13.036 5.749 1.00 0.00 O ATOM 84 CB THR A 9 -3.965 16.047 5.106 1.00 0.00 C ATOM 85 OG1 THR A 9 -4.263 17.408 5.436 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.255 15.297 4.813 1.00 0.00 C ATOM 0 H THR A 9 -2.231 17.234 6.449 1.00 0.00 H new ATOM 0 HA THR A 9 -3.893 15.125 7.055 1.00 0.00 H new ATOM 0 HB THR A 9 -3.337 16.019 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.752 17.824 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.783 15.786 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.023 14.270 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.886 15.297 5.702 1.00 0.00 H new ATOM 94 N LEU A 10 -1.281 14.237 5.304 1.00 0.00 N ATOM 95 CA LEU A 10 -0.533 13.097 4.786 1.00 0.00 C ATOM 96 C LEU A 10 0.014 12.242 5.925 1.00 0.00 C ATOM 97 O LEU A 10 -0.195 11.030 5.960 1.00 0.00 O ATOM 98 CB LEU A 10 0.616 13.578 3.897 1.00 0.00 C ATOM 99 CG LEU A 10 0.271 13.818 2.427 1.00 0.00 C ATOM 100 CD1 LEU A 10 0.041 12.497 1.710 1.00 0.00 C ATOM 101 CD2 LEU A 10 -0.953 14.714 2.306 1.00 0.00 C ATOM 0 H LEU A 10 -0.767 15.118 5.294 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.213 12.486 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.008 14.506 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.419 12.843 3.946 1.00 0.00 H new ATOM 0 HG LEU A 10 1.113 14.322 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.203 12.688 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.945 11.890 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.784 11.964 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.184 14.874 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.802 14.238 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.750 15.673 2.783 1.00 0.00 H new ATOM 113 N ARG A 11 0.713 12.883 6.856 1.00 0.00 N ATOM 114 CA ARG A 11 1.289 12.181 7.998 1.00 0.00 C ATOM 115 C ARG A 11 0.274 11.222 8.614 1.00 0.00 C ATOM 116 O ARG A 11 0.512 10.017 8.690 1.00 0.00 O ATOM 117 CB ARG A 11 1.766 13.182 9.051 1.00 0.00 C ATOM 118 CG ARG A 11 2.196 12.534 10.357 1.00 0.00 C ATOM 119 CD ARG A 11 3.641 12.063 10.295 1.00 0.00 C ATOM 120 NE ARG A 11 3.953 11.115 11.361 1.00 0.00 N ATOM 121 CZ ARG A 11 5.170 10.627 11.578 1.00 0.00 C ATOM 122 NH1 ARG A 11 6.183 10.996 10.806 1.00 0.00 N ATOM 123 NH2 ARG A 11 5.375 9.768 12.568 1.00 0.00 N ATOM 0 H ARG A 11 0.894 13.887 6.842 1.00 0.00 H new ATOM 0 HA ARG A 11 2.142 11.602 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.602 13.752 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.965 13.892 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.079 13.246 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.545 11.688 10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.829 11.596 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.306 12.923 10.369 1.00 0.00 H new ATOM 0 HE ARG A 11 3.195 10.811 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.029 11.656 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.116 10.620 10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.598 9.481 13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.309 9.394 12.734 1.00 0.00 H new ATOM 137 N GLU A 12 -0.856 11.767 9.054 1.00 0.00 N ATOM 138 CA GLU A 12 -1.905 10.960 9.665 1.00 0.00 C ATOM 139 C GLU A 12 -2.299 9.800 8.754 1.00 0.00 C ATOM 140 O GLU A 12 -2.447 8.664 9.206 1.00 0.00 O ATOM 141 CB GLU A 12 -3.131 11.823 9.970 1.00 0.00 C ATOM 142 CG GLU A 12 -2.884 12.876 11.036 1.00 0.00 C ATOM 143 CD GLU A 12 -2.749 12.281 12.425 1.00 0.00 C ATOM 144 OE1 GLU A 12 -1.709 11.646 12.699 1.00 0.00 O ATOM 145 OE2 GLU A 12 -3.683 12.448 13.236 1.00 0.00 O ATOM 0 H GLU A 12 -1.068 12.763 8.999 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.517 10.551 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.455 12.315 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.948 11.177 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.977 13.429 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.705 13.593 11.030 1.00 0.00 H new ATOM 152 N LEU A 13 -2.469 10.096 7.470 1.00 0.00 N ATOM 153 CA LEU A 13 -2.847 9.079 6.495 1.00 0.00 C ATOM 154 C LEU A 13 -1.848 7.926 6.494 1.00 0.00 C ATOM 155 O LEU A 13 -2.225 6.764 6.643 1.00 0.00 O ATOM 156 CB LEU A 13 -2.935 9.693 5.097 1.00 0.00 C ATOM 157 CG LEU A 13 -3.598 8.828 4.024 1.00 0.00 C ATOM 158 CD1 LEU A 13 -5.055 8.568 4.374 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.485 9.492 2.659 1.00 0.00 C ATOM 0 H LEU A 13 -2.351 11.031 7.080 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.825 8.688 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.484 10.632 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.926 9.938 4.765 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.079 7.870 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.511 7.951 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.112 8.050 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.588 9.517 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.962 8.863 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.978 10.464 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.433 9.626 2.405 1.00 0.00 H new ATOM 171 N ARG A 14 -0.571 8.257 6.329 1.00 0.00 N ATOM 172 CA ARG A 14 0.483 7.250 6.311 1.00 0.00 C ATOM 173 C ARG A 14 0.281 6.231 7.428 1.00 0.00 C ATOM 174 O ARG A 14 0.230 5.025 7.182 1.00 0.00 O ATOM 175 CB ARG A 14 1.854 7.913 6.452 1.00 0.00 C ATOM 176 CG ARG A 14 2.993 6.924 6.639 1.00 0.00 C ATOM 177 CD ARG A 14 4.305 7.634 6.934 1.00 0.00 C ATOM 178 NE ARG A 14 5.197 6.817 7.752 1.00 0.00 N ATOM 179 CZ ARG A 14 6.360 7.249 8.227 1.00 0.00 C ATOM 180 NH1 ARG A 14 6.769 8.483 7.967 1.00 0.00 N ATOM 181 NH2 ARG A 14 7.117 6.446 8.963 1.00 0.00 N ATOM 0 H ARG A 14 -0.242 9.215 6.206 1.00 0.00 H new ATOM 0 HA ARG A 14 0.436 6.729 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.050 8.516 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.833 8.595 7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.755 6.243 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.101 6.317 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.801 7.884 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.101 8.574 7.447 1.00 0.00 H new ATOM 0 HE ARG A 14 4.912 5.862 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.190 9.103 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.662 8.812 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.806 5.496 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.010 6.779 9.327 1.00 0.00 H new ATOM 195 N LEU A 15 0.167 6.724 8.657 1.00 0.00 N ATOM 196 CA LEU A 15 -0.029 5.856 9.814 1.00 0.00 C ATOM 197 C LEU A 15 -1.309 5.039 9.671 1.00 0.00 C ATOM 198 O LEU A 15 -1.336 3.848 9.982 1.00 0.00 O ATOM 199 CB LEU A 15 -0.082 6.688 11.096 1.00 0.00 C ATOM 200 CG LEU A 15 1.228 7.355 11.518 1.00 0.00 C ATOM 201 CD1 LEU A 15 0.957 8.513 12.466 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.160 6.341 12.165 1.00 0.00 C ATOM 0 H LEU A 15 0.207 7.719 8.878 1.00 0.00 H new ATOM 0 HA LEU A 15 0.815 5.168 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.838 7.464 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.417 6.045 11.909 1.00 0.00 H new ATOM 0 HG LEU A 15 1.715 7.749 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.901 8.975 12.755 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.329 9.252 11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.446 8.143 13.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.087 6.834 12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.680 5.916 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.382 5.545 11.454 1.00 0.00 H new ATOM 214 N PHE A 16 -2.368 5.687 9.197 1.00 0.00 N ATOM 215 CA PHE A 16 -3.652 5.020 9.012 1.00 0.00 C ATOM 216 C PHE A 16 -3.512 3.820 8.080 1.00 0.00 C ATOM 217 O PHE A 16 -3.537 2.670 8.521 1.00 0.00 O ATOM 218 CB PHE A 16 -4.683 6.000 8.448 1.00 0.00 C ATOM 219 CG PHE A 16 -6.032 5.382 8.215 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.816 4.975 9.282 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.517 5.210 6.928 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.057 4.406 9.070 1.00 0.00 C ATOM 223 CE2 PHE A 16 -7.758 4.641 6.710 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.529 4.240 7.783 1.00 0.00 C ATOM 0 H PHE A 16 -2.363 6.673 8.934 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.992 4.665 9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.790 6.838 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.311 6.406 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.453 5.104 10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.918 5.524 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.658 4.091 9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.124 4.510 5.702 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.500 3.797 7.616 1.00 0.00 H new ATOM 234 N LEU A 17 -3.364 4.095 6.789 1.00 0.00 N ATOM 235 CA LEU A 17 -3.220 3.039 5.793 1.00 0.00 C ATOM 236 C LEU A 17 -2.347 1.906 6.322 1.00 0.00 C ATOM 237 O LEU A 17 -2.802 0.771 6.460 1.00 0.00 O ATOM 238 CB LEU A 17 -2.618 3.604 4.505 1.00 0.00 C ATOM 239 CG LEU A 17 -3.400 4.736 3.838 1.00 0.00 C ATOM 240 CD1 LEU A 17 -2.582 5.363 2.719 1.00 0.00 C ATOM 241 CD2 LEU A 17 -4.730 4.223 3.306 1.00 0.00 C ATOM 0 H LEU A 17 -3.341 5.041 6.407 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.211 2.639 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.613 3.964 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.515 2.789 3.788 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.602 5.503 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.155 6.167 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.656 5.766 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.349 4.606 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.273 5.042 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.550 3.437 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.321 3.822 4.129 1.00 0.00 H new ATOM 253 N ARG A 18 -1.091 2.224 6.620 1.00 0.00 N ATOM 254 CA ARG A 18 -0.154 1.233 7.135 1.00 0.00 C ATOM 255 C ARG A 18 -0.815 0.361 8.199 1.00 0.00 C ATOM 256 O ARG A 18 -1.030 -0.833 7.990 1.00 0.00 O ATOM 257 CB ARG A 18 1.080 1.923 7.721 1.00 0.00 C ATOM 258 CG ARG A 18 2.348 1.092 7.620 1.00 0.00 C ATOM 259 CD ARG A 18 3.455 1.656 8.497 1.00 0.00 C ATOM 260 NE ARG A 18 4.381 0.619 8.945 1.00 0.00 N ATOM 261 CZ ARG A 18 5.561 0.876 9.498 1.00 0.00 C ATOM 262 NH1 ARG A 18 5.956 2.129 9.671 1.00 0.00 N ATOM 263 NH2 ARG A 18 6.347 -0.122 9.880 1.00 0.00 N ATOM 0 H ARG A 18 -0.699 3.160 6.514 1.00 0.00 H new ATOM 0 HA ARG A 18 0.153 0.595 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.235 2.871 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.892 2.157 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.136 0.065 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.683 1.062 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.004 2.417 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.015 2.148 9.364 1.00 0.00 H new ATOM 0 HE ARG A 18 4.106 -0.356 8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.353 2.899 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.863 2.324 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.045 -1.088 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.253 0.076 10.305 1.00 0.00 H new ATOM 277 N ASP A 19 -1.134 0.966 9.338 1.00 0.00 N ATOM 278 CA ASP A 19 -1.772 0.245 10.433 1.00 0.00 C ATOM 279 C ASP A 19 -2.772 -0.777 9.903 1.00 0.00 C ATOM 280 O ASP A 19 -2.764 -1.939 10.311 1.00 0.00 O ATOM 281 CB ASP A 19 -2.475 1.224 11.375 1.00 0.00 C ATOM 282 CG ASP A 19 -2.793 0.604 12.722 1.00 0.00 C ATOM 283 OD1 ASP A 19 -3.800 -0.128 12.816 1.00 0.00 O ATOM 284 OD2 ASP A 19 -2.033 0.851 13.682 1.00 0.00 O ATOM 0 H ASP A 19 -0.961 1.953 9.527 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.997 -0.286 10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.843 2.100 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.398 1.571 10.911 1.00 0.00 H new ATOM 289 N VAL A 20 -3.632 -0.337 8.990 1.00 0.00 N ATOM 290 CA VAL A 20 -4.639 -1.214 8.403 1.00 0.00 C ATOM 291 C VAL A 20 -3.991 -2.399 7.696 1.00 0.00 C ATOM 292 O VAL A 20 -4.401 -3.546 7.878 1.00 0.00 O ATOM 293 CB VAL A 20 -5.527 -0.455 7.399 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.470 -1.414 6.689 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.305 0.647 8.104 1.00 0.00 C ATOM 0 H VAL A 20 -3.652 0.621 8.641 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.258 -1.578 9.223 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.885 0.007 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.089 -0.860 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.890 -2.164 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.108 -1.907 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.927 1.173 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.938 0.209 8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.608 1.349 8.561 1.00 0.00 H new ATOM 305 N THR A 21 -2.974 -2.115 6.887 1.00 0.00 N ATOM 306 CA THR A 21 -2.269 -3.157 6.152 1.00 0.00 C ATOM 307 C THR A 21 -1.480 -4.058 7.095 1.00 0.00 C ATOM 308 O THR A 21 -1.716 -5.265 7.160 1.00 0.00 O ATOM 309 CB THR A 21 -1.306 -2.556 5.111 1.00 0.00 C ATOM 310 OG1 THR A 21 -2.045 -1.834 4.119 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.482 -3.646 4.442 1.00 0.00 C ATOM 0 H THR A 21 -2.621 -1.172 6.725 1.00 0.00 H new ATOM 0 HA THR A 21 -3.027 -3.748 5.638 1.00 0.00 H new ATOM 0 HB THR A 21 -0.629 -1.875 5.627 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.425 -1.454 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.190 -3.197 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.102 -4.175 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.147 -4.348 3.940 1.00 0.00 H new ATOM 319 N LYS A 22 -0.543 -3.465 7.827 1.00 0.00 N ATOM 320 CA LYS A 22 0.280 -4.214 8.769 1.00 0.00 C ATOM 321 C LYS A 22 -0.558 -5.234 9.533 1.00 0.00 C ATOM 322 O LYS A 22 -0.148 -6.381 9.709 1.00 0.00 O ATOM 323 CB LYS A 22 0.962 -3.259 9.753 1.00 0.00 C ATOM 324 CG LYS A 22 1.933 -3.949 10.695 1.00 0.00 C ATOM 325 CD LYS A 22 2.696 -2.944 11.542 1.00 0.00 C ATOM 326 CE LYS A 22 1.841 -2.415 12.684 1.00 0.00 C ATOM 327 NZ LYS A 22 2.672 -1.962 13.834 1.00 0.00 N ATOM 0 H LYS A 22 -0.335 -2.467 7.786 1.00 0.00 H new ATOM 0 HA LYS A 22 1.042 -4.748 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.496 -2.492 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.198 -2.750 10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.387 -4.634 11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.637 -4.549 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.594 -3.413 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.024 -2.114 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.231 -1.585 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.155 -3.195 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.053 -1.609 14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.235 -2.760 14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.309 -1.200 13.524 1.00 0.00 H new ATOM 341 N ARG A 23 -1.734 -4.809 9.983 1.00 0.00 N ATOM 342 CA ARG A 23 -2.630 -5.686 10.727 1.00 0.00 C ATOM 343 C ARG A 23 -3.021 -6.900 9.890 1.00 0.00 C ATOM 344 O ARG A 23 -3.046 -8.027 10.387 1.00 0.00 O ATOM 345 CB ARG A 23 -3.885 -4.923 11.156 1.00 0.00 C ATOM 346 CG ARG A 23 -4.755 -5.687 12.140 1.00 0.00 C ATOM 347 CD ARG A 23 -5.852 -4.805 12.716 1.00 0.00 C ATOM 348 NE ARG A 23 -6.475 -5.404 13.893 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.891 -5.462 15.085 1.00 0.00 C ATOM 350 NH1 ARG A 23 -4.676 -4.960 15.256 1.00 0.00 N ATOM 351 NH2 ARG A 23 -6.522 -6.023 16.108 1.00 0.00 N ATOM 0 H ARG A 23 -2.089 -3.863 9.845 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.103 -6.033 11.616 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.588 -3.976 11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.475 -4.684 10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.202 -6.546 11.641 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.136 -6.075 12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.434 -3.834 12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.612 -4.628 11.955 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.410 -5.800 13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.188 -4.528 14.472 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.230 -5.006 16.172 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.457 -6.411 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.072 -6.067 17.023 1.00 0.00 H new ATOM 365 N LEU A 24 -3.326 -6.663 8.619 1.00 0.00 N ATOM 366 CA LEU A 24 -3.716 -7.737 7.713 1.00 0.00 C ATOM 367 C LEU A 24 -2.559 -8.704 7.484 1.00 0.00 C ATOM 368 O LEU A 24 -2.750 -9.920 7.452 1.00 0.00 O ATOM 369 CB LEU A 24 -4.184 -7.159 6.376 1.00 0.00 C ATOM 370 CG LEU A 24 -5.409 -6.245 6.433 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.456 -5.340 5.211 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.684 -7.069 6.538 1.00 0.00 C ATOM 0 H LEU A 24 -3.311 -5.736 8.193 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.538 -8.285 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.358 -6.600 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.404 -7.987 5.702 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.331 -5.618 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.334 -4.697 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.557 -4.725 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.511 -5.949 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.546 -6.403 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.769 -7.721 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.652 -7.675 7.444 1.00 0.00 H new ATOM 384 N ALA A 25 -1.358 -8.156 7.328 1.00 0.00 N ATOM 385 CA ALA A 25 -0.170 -8.970 7.107 1.00 0.00 C ATOM 386 C ALA A 25 0.191 -9.766 8.356 1.00 0.00 C ATOM 387 O ALA A 25 0.159 -10.998 8.352 1.00 0.00 O ATOM 388 CB ALA A 25 0.999 -8.093 6.682 1.00 0.00 C ATOM 0 H ALA A 25 -1.183 -7.151 7.351 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.389 -9.678 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.880 -8.714 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.747 -7.573 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.209 -7.362 7.463 1.00 0.00 H new ATOM 394 N THR A 26 0.535 -9.056 9.426 1.00 0.00 N ATOM 395 CA THR A 26 0.903 -9.697 10.682 1.00 0.00 C ATOM 396 C THR A 26 0.084 -10.961 10.916 1.00 0.00 C ATOM 397 O THR A 26 0.636 -12.052 11.063 1.00 0.00 O ATOM 398 CB THR A 26 0.708 -8.744 11.877 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.627 -8.229 11.880 1.00 0.00 O ATOM 400 CG2 THR A 26 1.701 -7.593 11.819 1.00 0.00 C ATOM 0 H THR A 26 0.566 -8.037 9.448 1.00 0.00 H new ATOM 0 HA THR A 26 1.958 -9.961 10.605 1.00 0.00 H new ATOM 0 HB THR A 26 0.882 -9.307 12.794 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.737 -7.601 11.135 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.544 -6.934 12.673 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.717 -7.987 11.847 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.555 -7.032 10.896 1.00 0.00 H new ATOM 408 N ASP A 27 -1.235 -10.807 10.948 1.00 0.00 N ATOM 409 CA ASP A 27 -2.131 -11.938 11.162 1.00 0.00 C ATOM 410 C ASP A 27 -1.830 -13.064 10.178 1.00 0.00 C ATOM 411 O ASP A 27 -1.573 -12.820 8.999 1.00 0.00 O ATOM 412 CB ASP A 27 -3.588 -11.495 11.020 1.00 0.00 C ATOM 413 CG ASP A 27 -4.185 -11.036 12.336 1.00 0.00 C ATOM 414 OD1 ASP A 27 -4.295 -11.869 13.260 1.00 0.00 O ATOM 415 OD2 ASP A 27 -4.543 -9.844 12.442 1.00 0.00 O ATOM 0 H ASP A 27 -1.707 -9.911 10.829 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.970 -12.312 12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.649 -10.684 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.179 -12.321 10.625 1.00 0.00 H new ATOM 420 N LYS A 28 -1.863 -14.298 10.670 1.00 0.00 N ATOM 421 CA LYS A 28 -1.595 -15.462 9.836 1.00 0.00 C ATOM 422 C LYS A 28 -2.793 -15.785 8.949 1.00 0.00 C ATOM 423 O LYS A 28 -3.225 -16.935 8.866 1.00 0.00 O ATOM 424 CB LYS A 28 -1.252 -16.672 10.708 1.00 0.00 C ATOM 425 CG LYS A 28 0.212 -16.739 11.108 1.00 0.00 C ATOM 426 CD LYS A 28 0.573 -15.635 12.087 1.00 0.00 C ATOM 427 CE LYS A 28 2.076 -15.555 12.308 1.00 0.00 C ATOM 428 NZ LYS A 28 2.413 -14.864 13.583 1.00 0.00 N ATOM 0 H LYS A 28 -2.073 -14.517 11.644 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.744 -15.230 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.865 -16.645 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.515 -17.583 10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.423 -17.709 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.837 -16.657 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.208 -14.679 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.073 -15.814 13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.496 -16.561 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.538 -15.025 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.446 -14.830 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.035 -13.895 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.994 -15.383 14.381 1.00 0.00 H new ATOM 442 N ARG A 29 -3.326 -14.763 8.287 1.00 0.00 N ATOM 443 CA ARG A 29 -4.474 -14.938 7.406 1.00 0.00 C ATOM 444 C ARG A 29 -4.169 -14.417 6.005 1.00 0.00 C ATOM 445 O ARG A 29 -4.370 -15.118 5.013 1.00 0.00 O ATOM 446 CB ARG A 29 -5.696 -14.214 7.976 1.00 0.00 C ATOM 447 CG ARG A 29 -6.395 -14.982 9.086 1.00 0.00 C ATOM 448 CD ARG A 29 -7.703 -14.316 9.486 1.00 0.00 C ATOM 449 NE ARG A 29 -8.145 -14.731 10.814 1.00 0.00 N ATOM 450 CZ ARG A 29 -8.592 -15.951 11.092 1.00 0.00 C ATOM 451 NH1 ARG A 29 -8.654 -16.871 10.138 1.00 0.00 N ATOM 452 NH2 ARG A 29 -8.976 -16.254 12.325 1.00 0.00 N ATOM 0 H ARG A 29 -2.981 -13.805 8.344 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.690 -16.004 7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.386 -13.241 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.407 -14.029 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.591 -16.002 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.739 -15.048 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.579 -13.233 9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.473 -14.561 8.755 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.109 -14.047 11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.358 -16.642 9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.997 -17.807 10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.928 -15.550 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.319 -17.191 12.537 1.00 0.00 H new ATOM 466 N PHE A 30 -3.684 -13.182 5.931 1.00 0.00 N ATOM 467 CA PHE A 30 -3.353 -12.566 4.651 1.00 0.00 C ATOM 468 C PHE A 30 -1.842 -12.425 4.490 1.00 0.00 C ATOM 469 O PHE A 30 -1.352 -11.411 3.995 1.00 0.00 O ATOM 470 CB PHE A 30 -4.020 -11.194 4.533 1.00 0.00 C ATOM 471 CG PHE A 30 -5.476 -11.202 4.904 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.417 -11.762 4.056 1.00 0.00 C ATOM 473 CD2 PHE A 30 -5.903 -10.648 6.100 1.00 0.00 C ATOM 474 CE1 PHE A 30 -7.757 -11.771 4.394 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.241 -10.655 6.444 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.170 -11.216 5.589 1.00 0.00 C ATOM 0 H PHE A 30 -3.511 -12.588 6.742 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.727 -13.213 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.494 -10.487 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.916 -10.835 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.100 -12.197 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.182 -10.206 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.480 -12.212 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.561 -10.222 7.381 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.217 -11.220 5.855 1.00 0.00 H new ATOM 486 N ASN A 31 -1.110 -13.450 4.914 1.00 0.00 N ATOM 487 CA ASN A 31 0.346 -13.440 4.819 1.00 0.00 C ATOM 488 C ASN A 31 0.810 -14.096 3.522 1.00 0.00 C ATOM 489 O ASN A 31 1.910 -13.827 3.039 1.00 0.00 O ATOM 490 CB ASN A 31 0.961 -14.164 6.018 1.00 0.00 C ATOM 491 CG ASN A 31 0.096 -14.063 7.260 1.00 0.00 C ATOM 492 OD1 ASN A 31 -1.098 -14.361 7.225 1.00 0.00 O ATOM 493 ND2 ASN A 31 0.697 -13.641 8.367 1.00 0.00 N ATOM 0 H ASN A 31 -1.500 -14.297 5.326 1.00 0.00 H new ATOM 0 HA ASN A 31 0.679 -12.402 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.111 -15.214 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.944 -13.743 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.166 -13.553 9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.689 -13.405 8.350 1.00 0.00 H new ATOM 500 N ILE A 32 -0.036 -14.955 2.964 1.00 0.00 N ATOM 501 CA ILE A 32 0.287 -15.648 1.723 1.00 0.00 C ATOM 502 C ILE A 32 0.314 -14.680 0.545 1.00 0.00 C ATOM 503 O ILE A 32 0.905 -14.969 -0.497 1.00 0.00 O ATOM 504 CB ILE A 32 -0.722 -16.772 1.426 1.00 0.00 C ATOM 505 CG1 ILE A 32 -2.091 -16.181 1.082 1.00 0.00 C ATOM 506 CG2 ILE A 32 -0.831 -17.714 2.616 1.00 0.00 C ATOM 507 CD1 ILE A 32 -3.025 -17.167 0.417 1.00 0.00 C ATOM 0 H ILE A 32 -0.950 -15.188 3.352 1.00 0.00 H new ATOM 0 HA ILE A 32 1.277 -16.086 1.854 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.366 -17.341 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.557 -15.810 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.952 -15.323 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.548 -18.503 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.144 -18.157 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.167 -17.158 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.976 -16.679 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.580 -17.520 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.194 -18.014 1.082 1.00 0.00 H new ATOM 519 N PHE A 33 -0.327 -13.529 0.717 1.00 0.00 N ATOM 520 CA PHE A 33 -0.377 -12.517 -0.332 1.00 0.00 C ATOM 521 C PHE A 33 0.787 -11.539 -0.199 1.00 0.00 C ATOM 522 O PHE A 33 1.115 -10.816 -1.140 1.00 0.00 O ATOM 523 CB PHE A 33 -1.704 -11.758 -0.277 1.00 0.00 C ATOM 524 CG PHE A 33 -2.909 -12.656 -0.295 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.408 -13.192 0.881 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.542 -12.963 -1.489 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.516 -14.018 0.866 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.650 -13.789 -1.510 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.138 -14.316 -0.331 1.00 0.00 C ATOM 0 H PHE A 33 -0.819 -13.274 1.573 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.297 -13.023 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.728 -11.149 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.758 -11.074 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.926 -12.962 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.165 -12.552 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.895 -14.430 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.133 -14.022 -2.447 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.005 -14.960 -0.344 1.00 0.00 H new ATOM 539 N SER A 34 1.407 -11.522 0.976 1.00 0.00 N ATOM 540 CA SER A 34 2.531 -10.630 1.235 1.00 0.00 C ATOM 541 C SER A 34 3.748 -11.035 0.409 1.00 0.00 C ATOM 542 O SER A 34 4.705 -10.272 0.275 1.00 0.00 O ATOM 543 CB SER A 34 2.885 -10.641 2.724 1.00 0.00 C ATOM 544 OG SER A 34 3.966 -9.766 2.997 1.00 0.00 O ATOM 0 H SER A 34 1.150 -12.116 1.764 1.00 0.00 H new ATOM 0 HA SER A 34 2.237 -9.621 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.015 -10.344 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.146 -11.654 3.032 1.00 0.00 H new ATOM 0 HG SER A 34 4.505 -9.649 2.187 1.00 0.00 H new ATOM 550 N LYS A 35 3.703 -12.243 -0.145 1.00 0.00 N ATOM 551 CA LYS A 35 4.800 -12.752 -0.960 1.00 0.00 C ATOM 552 C LYS A 35 4.290 -13.242 -2.312 1.00 0.00 C ATOM 553 O LYS A 35 3.100 -13.492 -2.500 1.00 0.00 O ATOM 554 CB LYS A 35 5.519 -13.889 -0.232 1.00 0.00 C ATOM 555 CG LYS A 35 4.629 -14.652 0.734 1.00 0.00 C ATOM 556 CD LYS A 35 5.448 -15.455 1.731 1.00 0.00 C ATOM 557 CE LYS A 35 4.639 -16.600 2.322 1.00 0.00 C ATOM 558 NZ LYS A 35 4.762 -17.842 1.511 1.00 0.00 N ATOM 0 H LYS A 35 2.919 -12.887 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 35 5.503 -11.936 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.921 -14.584 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.368 -13.479 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.987 -13.952 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.975 -15.322 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.336 -15.851 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.793 -14.800 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.977 -16.796 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.590 -16.309 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.197 -18.598 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.416 -17.663 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.759 -18.134 1.472 1.00 0.00 H new ATOM 572 N PRO A 36 5.212 -13.384 -3.276 1.00 0.00 N ATOM 573 CA PRO A 36 4.879 -13.848 -4.627 1.00 0.00 C ATOM 574 C PRO A 36 4.482 -15.320 -4.653 1.00 0.00 C ATOM 575 O PRO A 36 5.295 -16.187 -4.974 1.00 0.00 O ATOM 576 CB PRO A 36 6.179 -13.631 -5.406 1.00 0.00 C ATOM 577 CG PRO A 36 7.252 -13.679 -4.374 1.00 0.00 C ATOM 578 CD PRO A 36 6.649 -13.104 -3.122 1.00 0.00 C ATOM 0 HA PRO A 36 4.023 -13.316 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.321 -14.404 -6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.173 -12.673 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.590 -14.702 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.122 -13.102 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.056 -13.574 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.843 -12.035 -3.037 1.00 0.00 H new ATOM 586 N VAL A 37 3.227 -15.596 -4.313 1.00 0.00 N ATOM 587 CA VAL A 37 2.722 -16.963 -4.300 1.00 0.00 C ATOM 588 C VAL A 37 3.051 -17.684 -5.602 1.00 0.00 C ATOM 589 O VAL A 37 3.262 -18.897 -5.616 1.00 0.00 O ATOM 590 CB VAL A 37 1.198 -16.996 -4.079 1.00 0.00 C ATOM 591 CG1 VAL A 37 0.838 -16.374 -2.738 1.00 0.00 C ATOM 592 CG2 VAL A 37 0.480 -16.285 -5.216 1.00 0.00 C ATOM 0 H VAL A 37 2.542 -14.891 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 37 3.213 -17.473 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 37 0.873 -18.036 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.243 -16.407 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.323 -16.931 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.176 -15.338 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.596 -16.318 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.809 -15.247 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.712 -16.780 -6.159 1.00 0.00 H new ATOM 602 N SER A 38 3.095 -16.929 -6.695 1.00 0.00 N ATOM 603 CA SER A 38 3.396 -17.497 -8.004 1.00 0.00 C ATOM 604 C SER A 38 4.672 -18.332 -7.954 1.00 0.00 C ATOM 605 O SER A 38 5.261 -18.522 -6.890 1.00 0.00 O ATOM 606 CB SER A 38 3.542 -16.384 -9.044 1.00 0.00 C ATOM 607 OG SER A 38 2.284 -16.033 -9.595 1.00 0.00 O ATOM 0 H SER A 38 2.926 -15.923 -6.700 1.00 0.00 H new ATOM 0 HA SER A 38 2.569 -18.147 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.998 -15.508 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.213 -16.710 -9.839 1.00 0.00 H new ATOM 0 HG SER A 38 2.381 -15.874 -10.557 1.00 0.00 H new ATOM 613 N ASP A 39 5.093 -18.828 -9.112 1.00 0.00 N ATOM 614 CA ASP A 39 6.299 -19.642 -9.202 1.00 0.00 C ATOM 615 C ASP A 39 7.523 -18.772 -9.473 1.00 0.00 C ATOM 616 O ASP A 39 8.630 -19.089 -9.038 1.00 0.00 O ATOM 617 CB ASP A 39 6.150 -20.692 -10.305 1.00 0.00 C ATOM 618 CG ASP A 39 7.246 -21.739 -10.259 1.00 0.00 C ATOM 619 OD1 ASP A 39 7.709 -22.063 -9.145 1.00 0.00 O ATOM 620 OD2 ASP A 39 7.640 -22.234 -11.336 1.00 0.00 O ATOM 0 H ASP A 39 4.617 -18.680 -10.002 1.00 0.00 H new ATOM 0 HA ASP A 39 6.439 -20.147 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.180 -21.181 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.163 -20.198 -11.277 1.00 0.00 H new ATOM 625 N TYR A 40 7.315 -17.676 -10.194 1.00 0.00 N ATOM 626 CA TYR A 40 8.402 -16.762 -10.525 1.00 0.00 C ATOM 627 C TYR A 40 8.044 -15.329 -10.143 1.00 0.00 C ATOM 628 O TYR A 40 6.998 -15.076 -9.544 1.00 0.00 O ATOM 629 CB TYR A 40 8.723 -16.839 -12.019 1.00 0.00 C ATOM 630 CG TYR A 40 10.172 -16.553 -12.342 1.00 0.00 C ATOM 631 CD1 TYR A 40 11.197 -17.130 -11.602 1.00 0.00 C ATOM 632 CD2 TYR A 40 10.517 -15.706 -13.389 1.00 0.00 C ATOM 633 CE1 TYR A 40 12.522 -16.870 -11.894 1.00 0.00 C ATOM 634 CE2 TYR A 40 11.839 -15.442 -13.688 1.00 0.00 C ATOM 635 CZ TYR A 40 12.838 -16.026 -12.938 1.00 0.00 C ATOM 636 OH TYR A 40 14.157 -15.767 -13.232 1.00 0.00 O ATOM 0 H TYR A 40 6.404 -17.399 -10.560 1.00 0.00 H new ATOM 0 HA TYR A 40 9.282 -17.061 -9.955 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.467 -17.833 -12.386 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.093 -16.129 -12.555 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.954 -17.793 -10.785 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.738 -15.247 -13.979 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.306 -17.325 -11.308 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.089 -14.782 -14.505 1.00 0.00 H new ATOM 0 HH TYR A 40 14.208 -15.155 -13.995 1.00 0.00 H new ATOM 646 N LEU A 41 8.920 -14.394 -10.495 1.00 0.00 N ATOM 647 CA LEU A 41 8.698 -12.985 -10.191 1.00 0.00 C ATOM 648 C LEU A 41 8.719 -12.143 -11.463 1.00 0.00 C ATOM 649 O LEU A 41 8.468 -10.939 -11.425 1.00 0.00 O ATOM 650 CB LEU A 41 9.762 -12.480 -9.214 1.00 0.00 C ATOM 651 CG LEU A 41 11.135 -12.178 -9.815 1.00 0.00 C ATOM 652 CD1 LEU A 41 11.588 -13.319 -10.713 1.00 0.00 C ATOM 653 CD2 LEU A 41 11.102 -10.868 -10.590 1.00 0.00 C ATOM 0 H LEU A 41 9.790 -14.586 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 41 7.715 -12.889 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.389 -11.573 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.887 -13.224 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 41 11.852 -12.077 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.567 -13.086 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.652 -14.238 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.870 -13.452 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.088 -10.669 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.371 -10.940 -11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.823 -10.055 -9.919 1.00 0.00 H new ATOM 665 N GLU A 42 9.018 -12.787 -12.587 1.00 0.00 N ATOM 666 CA GLU A 42 9.069 -12.097 -13.871 1.00 0.00 C ATOM 667 C GLU A 42 7.863 -12.460 -14.732 1.00 0.00 C ATOM 668 O GLU A 42 7.260 -11.597 -15.371 1.00 0.00 O ATOM 669 CB GLU A 42 10.362 -12.445 -14.611 1.00 0.00 C ATOM 670 CG GLU A 42 11.578 -11.689 -14.102 1.00 0.00 C ATOM 671 CD GLU A 42 12.614 -11.454 -15.184 1.00 0.00 C ATOM 672 OE1 GLU A 42 12.258 -11.546 -16.377 1.00 0.00 O ATOM 673 OE2 GLU A 42 13.781 -11.178 -14.837 1.00 0.00 O ATOM 0 H GLU A 42 9.228 -13.784 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 42 9.046 -11.024 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.546 -13.515 -14.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.231 -12.233 -15.672 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.260 -10.729 -13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.033 -12.248 -13.284 1.00 0.00 H new ATOM 680 N VAL A 43 7.517 -13.743 -14.745 1.00 0.00 N ATOM 681 CA VAL A 43 6.384 -14.222 -15.527 1.00 0.00 C ATOM 682 C VAL A 43 5.157 -13.342 -15.312 1.00 0.00 C ATOM 683 O VAL A 43 4.351 -13.151 -16.223 1.00 0.00 O ATOM 684 CB VAL A 43 6.028 -15.677 -15.168 1.00 0.00 C ATOM 685 CG1 VAL A 43 5.868 -15.831 -13.663 1.00 0.00 C ATOM 686 CG2 VAL A 43 4.764 -16.111 -15.894 1.00 0.00 C ATOM 0 H VAL A 43 8.006 -14.470 -14.222 1.00 0.00 H new ATOM 0 HA VAL A 43 6.681 -14.177 -16.575 1.00 0.00 H new ATOM 0 HB VAL A 43 6.844 -16.323 -15.491 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.617 -16.865 -13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.802 -15.563 -13.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.071 -15.175 -13.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.528 -17.141 -15.629 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.937 -15.463 -15.604 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.920 -16.040 -16.970 1.00 0.00 H new ATOM 696 N ILE A 44 5.023 -12.809 -14.102 1.00 0.00 N ATOM 697 CA ILE A 44 3.895 -11.948 -13.768 1.00 0.00 C ATOM 698 C ILE A 44 4.078 -10.552 -14.353 1.00 0.00 C ATOM 699 O ILE A 44 5.120 -9.922 -14.173 1.00 0.00 O ATOM 700 CB ILE A 44 3.707 -11.833 -12.244 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.426 -13.209 -11.638 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.579 -10.865 -11.921 1.00 0.00 C ATOM 703 CD1 ILE A 44 3.920 -13.356 -10.216 1.00 0.00 C ATOM 0 H ILE A 44 5.681 -12.958 -13.337 1.00 0.00 H new ATOM 0 HA ILE A 44 3.007 -12.408 -14.202 1.00 0.00 H new ATOM 0 HB ILE A 44 4.627 -11.446 -11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.352 -13.395 -11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.896 -13.973 -12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.458 -10.795 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.817 -9.881 -12.324 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.652 -11.225 -12.367 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.686 -14.356 -9.851 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.999 -13.202 -10.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.431 -12.616 -9.583 1.00 0.00 H new ATOM 715 N LYS A 45 3.056 -10.072 -15.054 1.00 0.00 N ATOM 716 CA LYS A 45 3.100 -8.748 -15.664 1.00 0.00 C ATOM 717 C LYS A 45 2.911 -7.659 -14.614 1.00 0.00 C ATOM 718 O LYS A 45 3.781 -6.810 -14.424 1.00 0.00 O ATOM 719 CB LYS A 45 2.021 -8.625 -16.743 1.00 0.00 C ATOM 720 CG LYS A 45 2.352 -9.374 -18.022 1.00 0.00 C ATOM 721 CD LYS A 45 3.413 -8.651 -18.833 1.00 0.00 C ATOM 722 CE LYS A 45 2.799 -7.593 -19.738 1.00 0.00 C ATOM 723 NZ LYS A 45 2.401 -6.376 -18.978 1.00 0.00 N ATOM 0 H LYS A 45 2.186 -10.581 -15.214 1.00 0.00 H new ATOM 0 HA LYS A 45 4.080 -8.619 -16.123 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.078 -9.000 -16.346 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.872 -7.571 -16.977 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.701 -10.377 -17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.449 -9.488 -18.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.131 -8.183 -18.160 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.965 -9.372 -19.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.514 -7.319 -20.514 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.926 -8.008 -20.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.409 -5.552 -19.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.444 -6.506 -18.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.071 -6.219 -18.198 1.00 0.00 H new ATOM 737 N GLU A 46 1.768 -7.690 -13.935 1.00 0.00 N ATOM 738 CA GLU A 46 1.467 -6.704 -12.903 1.00 0.00 C ATOM 739 C GLU A 46 1.431 -7.354 -11.523 1.00 0.00 C ATOM 740 O GLU A 46 0.370 -7.561 -10.934 1.00 0.00 O ATOM 741 CB GLU A 46 0.127 -6.024 -13.193 1.00 0.00 C ATOM 742 CG GLU A 46 0.175 -5.060 -14.367 1.00 0.00 C ATOM 743 CD GLU A 46 0.924 -3.782 -14.043 1.00 0.00 C ATOM 744 OE1 GLU A 46 0.496 -3.062 -13.117 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.938 -3.502 -14.716 1.00 0.00 O ATOM 0 H GLU A 46 1.037 -8.386 -14.081 1.00 0.00 H new ATOM 0 HA GLU A 46 2.258 -5.954 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.623 -6.789 -13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.197 -5.484 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.652 -5.551 -15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.842 -4.813 -14.671 1.00 0.00 H new ATOM 752 N PRO A 47 2.618 -7.686 -10.995 1.00 0.00 N ATOM 753 CA PRO A 47 2.751 -8.317 -9.679 1.00 0.00 C ATOM 754 C PRO A 47 2.400 -7.365 -8.541 1.00 0.00 C ATOM 755 O PRO A 47 2.328 -6.152 -8.734 1.00 0.00 O ATOM 756 CB PRO A 47 4.231 -8.702 -9.617 1.00 0.00 C ATOM 757 CG PRO A 47 4.909 -7.750 -10.541 1.00 0.00 C ATOM 758 CD PRO A 47 3.923 -7.469 -11.642 1.00 0.00 C ATOM 0 HA PRO A 47 2.072 -9.162 -9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.621 -8.615 -8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.385 -9.735 -9.930 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.186 -6.833 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.827 -8.180 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.020 -6.451 -12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.067 -8.138 -12.491 1.00 0.00 H new ATOM 766 N MET A 48 2.183 -7.922 -7.354 1.00 0.00 N ATOM 767 CA MET A 48 1.842 -7.121 -6.184 1.00 0.00 C ATOM 768 C MET A 48 1.953 -7.948 -4.908 1.00 0.00 C ATOM 769 O MET A 48 1.678 -9.148 -4.909 1.00 0.00 O ATOM 770 CB MET A 48 0.426 -6.559 -6.321 1.00 0.00 C ATOM 771 CG MET A 48 0.121 -5.435 -5.344 1.00 0.00 C ATOM 772 SD MET A 48 1.332 -4.101 -5.421 1.00 0.00 S ATOM 773 CE MET A 48 1.253 -3.672 -7.158 1.00 0.00 C ATOM 0 H MET A 48 2.237 -8.925 -7.177 1.00 0.00 H new ATOM 0 HA MET A 48 2.549 -6.294 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.286 -6.193 -7.338 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.292 -7.365 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.870 -5.034 -5.556 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.093 -5.837 -4.331 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.258 -3.468 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.821 -4.501 -7.718 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.632 -2.786 -7.286 1.00 0.00 H new ATOM 783 N ASP A 49 2.356 -7.300 -3.821 1.00 0.00 N ATOM 784 CA ASP A 49 2.502 -7.975 -2.537 1.00 0.00 C ATOM 785 C ASP A 49 2.362 -6.987 -1.384 1.00 0.00 C ATOM 786 O ASP A 49 3.004 -5.936 -1.371 1.00 0.00 O ATOM 787 CB ASP A 49 3.857 -8.680 -2.459 1.00 0.00 C ATOM 788 CG ASP A 49 4.351 -9.138 -3.817 1.00 0.00 C ATOM 789 OD1 ASP A 49 4.915 -8.303 -4.556 1.00 0.00 O ATOM 790 OD2 ASP A 49 4.175 -10.331 -4.141 1.00 0.00 O ATOM 0 H ASP A 49 2.588 -6.307 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 49 1.709 -8.718 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.590 -8.004 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.778 -9.541 -1.795 1.00 0.00 H new ATOM 795 N LEU A 50 1.517 -7.330 -0.417 1.00 0.00 N ATOM 796 CA LEU A 50 1.291 -6.472 0.741 1.00 0.00 C ATOM 797 C LEU A 50 2.592 -5.819 1.198 1.00 0.00 C ATOM 798 O LEU A 50 2.584 -4.728 1.767 1.00 0.00 O ATOM 799 CB LEU A 50 0.683 -7.281 1.889 1.00 0.00 C ATOM 800 CG LEU A 50 -0.771 -7.717 1.706 1.00 0.00 C ATOM 801 CD1 LEU A 50 -1.050 -8.989 2.491 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.718 -6.605 2.134 1.00 0.00 C ATOM 0 H LEU A 50 0.978 -8.196 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 50 0.595 -5.686 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.292 -8.172 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.752 -6.688 2.801 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.938 -7.924 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.090 -9.284 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.395 -9.786 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.865 -8.811 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.749 -6.932 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.549 -6.367 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.535 -5.718 1.527 1.00 0.00 H new ATOM 814 N SER A 51 3.708 -6.494 0.942 1.00 0.00 N ATOM 815 CA SER A 51 5.017 -5.980 1.327 1.00 0.00 C ATOM 816 C SER A 51 5.339 -4.693 0.574 1.00 0.00 C ATOM 817 O SER A 51 5.716 -3.685 1.174 1.00 0.00 O ATOM 818 CB SER A 51 6.100 -7.027 1.057 1.00 0.00 C ATOM 819 OG SER A 51 7.227 -6.821 1.890 1.00 0.00 O ATOM 0 H SER A 51 3.732 -7.398 0.470 1.00 0.00 H new ATOM 0 HA SER A 51 4.993 -5.759 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.696 -8.025 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.403 -6.980 0.011 1.00 0.00 H new ATOM 0 HG SER A 51 7.904 -7.504 1.699 1.00 0.00 H new ATOM 825 N THR A 52 5.188 -4.733 -0.746 1.00 0.00 N ATOM 826 CA THR A 52 5.463 -3.573 -1.583 1.00 0.00 C ATOM 827 C THR A 52 4.530 -2.416 -1.243 1.00 0.00 C ATOM 828 O THR A 52 4.835 -1.256 -1.522 1.00 0.00 O ATOM 829 CB THR A 52 5.318 -3.911 -3.079 1.00 0.00 C ATOM 830 OG1 THR A 52 6.124 -3.024 -3.862 1.00 0.00 O ATOM 831 CG2 THR A 52 3.866 -3.807 -3.519 1.00 0.00 C ATOM 0 H THR A 52 4.876 -5.558 -1.259 1.00 0.00 H new ATOM 0 HA THR A 52 6.493 -3.277 -1.383 1.00 0.00 H new ATOM 0 HB THR A 52 5.654 -4.937 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.027 -3.246 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.789 -4.050 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.260 -4.505 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.507 -2.791 -3.353 1.00 0.00 H new ATOM 839 N VAL A 53 3.391 -2.738 -0.638 1.00 0.00 N ATOM 840 CA VAL A 53 2.414 -1.725 -0.258 1.00 0.00 C ATOM 841 C VAL A 53 2.930 -0.869 0.894 1.00 0.00 C ATOM 842 O VAL A 53 2.979 0.357 0.794 1.00 0.00 O ATOM 843 CB VAL A 53 1.074 -2.364 0.152 1.00 0.00 C ATOM 844 CG1 VAL A 53 0.042 -1.290 0.460 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.574 -3.298 -0.939 1.00 0.00 C ATOM 0 H VAL A 53 3.122 -3.693 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 53 2.255 -1.094 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 53 1.233 -2.951 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.898 -1.761 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.400 -0.665 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.117 -0.674 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.374 -3.741 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.430 -2.736 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.306 -4.088 -1.106 1.00 0.00 H new ATOM 855 N ILE A 54 3.313 -1.523 1.985 1.00 0.00 N ATOM 856 CA ILE A 54 3.827 -0.822 3.155 1.00 0.00 C ATOM 857 C ILE A 54 4.885 0.203 2.760 1.00 0.00 C ATOM 858 O ILE A 54 5.084 1.204 3.450 1.00 0.00 O ATOM 859 CB ILE A 54 4.432 -1.801 4.177 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.322 -2.554 4.914 1.00 0.00 C ATOM 861 CG2 ILE A 54 5.319 -1.056 5.163 1.00 0.00 C ATOM 862 CD1 ILE A 54 2.858 -3.801 4.196 1.00 0.00 C ATOM 0 H ILE A 54 3.277 -2.538 2.083 1.00 0.00 H new ATOM 0 HA ILE A 54 2.981 -0.309 3.613 1.00 0.00 H new ATOM 0 HB ILE A 54 5.045 -2.527 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.677 -2.828 5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.471 -1.887 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.739 -1.762 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.127 -0.561 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.727 -0.310 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.071 -4.283 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.472 -3.532 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.696 -4.488 4.081 1.00 0.00 H new ATOM 874 N THR A 55 5.562 -0.053 1.645 1.00 0.00 N ATOM 875 CA THR A 55 6.600 0.847 1.158 1.00 0.00 C ATOM 876 C THR A 55 5.995 2.121 0.578 1.00 0.00 C ATOM 877 O THR A 55 6.347 3.228 0.985 1.00 0.00 O ATOM 878 CB THR A 55 7.470 0.170 0.082 1.00 0.00 C ATOM 879 OG1 THR A 55 8.149 -0.961 0.641 1.00 0.00 O ATOM 880 CG2 THR A 55 8.488 1.149 -0.485 1.00 0.00 C ATOM 0 H THR A 55 5.410 -0.876 1.062 1.00 0.00 H new ATOM 0 HA THR A 55 7.225 1.102 2.014 1.00 0.00 H new ATOM 0 HB THR A 55 6.818 -0.161 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.699 -1.387 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.091 0.649 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.968 1.995 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.135 1.506 0.316 1.00 0.00 H new ATOM 888 N LYS A 56 5.083 1.957 -0.374 1.00 0.00 N ATOM 889 CA LYS A 56 4.427 3.094 -1.009 1.00 0.00 C ATOM 890 C LYS A 56 3.988 4.120 0.031 1.00 0.00 C ATOM 891 O LYS A 56 4.222 5.318 -0.128 1.00 0.00 O ATOM 892 CB LYS A 56 3.217 2.624 -1.819 1.00 0.00 C ATOM 893 CG LYS A 56 3.523 1.462 -2.749 1.00 0.00 C ATOM 894 CD LYS A 56 4.687 1.778 -3.673 1.00 0.00 C ATOM 895 CE LYS A 56 4.294 2.785 -4.742 1.00 0.00 C ATOM 896 NZ LYS A 56 5.346 2.925 -5.787 1.00 0.00 N ATOM 0 H LYS A 56 4.781 1.047 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 56 5.144 3.567 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.423 2.330 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.837 3.459 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.756 0.575 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.639 1.228 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.519 2.172 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.036 0.861 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.359 2.474 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.112 3.754 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.040 3.620 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.232 3.247 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.502 2.006 -6.248 1.00 0.00 H new ATOM 910 N ILE A 57 3.353 3.641 1.096 1.00 0.00 N ATOM 911 CA ILE A 57 2.884 4.517 2.162 1.00 0.00 C ATOM 912 C ILE A 57 4.026 5.355 2.727 1.00 0.00 C ATOM 913 O ILE A 57 3.981 6.585 2.695 1.00 0.00 O ATOM 914 CB ILE A 57 2.237 3.714 3.306 1.00 0.00 C ATOM 915 CG1 ILE A 57 1.139 2.799 2.759 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.673 4.654 4.361 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.946 1.536 3.568 1.00 0.00 C ATOM 0 H ILE A 57 3.152 2.652 1.243 1.00 0.00 H new ATOM 0 HA ILE A 57 2.135 5.176 1.723 1.00 0.00 H new ATOM 0 HB ILE A 57 3.003 3.094 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.199 3.350 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.381 2.529 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.219 4.071 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.476 5.268 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.919 5.298 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.152 0.936 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.873 0.963 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.673 1.797 4.590 1.00 0.00 H new ATOM 929 N ASP A 58 5.048 4.681 3.243 1.00 0.00 N ATOM 930 CA ASP A 58 6.204 5.363 3.812 1.00 0.00 C ATOM 931 C ASP A 58 6.657 6.509 2.913 1.00 0.00 C ATOM 932 O ASP A 58 6.959 7.604 3.388 1.00 0.00 O ATOM 933 CB ASP A 58 7.354 4.377 4.020 1.00 0.00 C ATOM 934 CG ASP A 58 8.634 5.063 4.456 1.00 0.00 C ATOM 935 OD1 ASP A 58 8.756 5.383 5.656 1.00 0.00 O ATOM 936 OD2 ASP A 58 9.513 5.281 3.595 1.00 0.00 O ATOM 0 H ASP A 58 5.099 3.663 3.279 1.00 0.00 H new ATOM 0 HA ASP A 58 5.911 5.776 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.066 3.641 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.534 3.833 3.093 1.00 0.00 H new ATOM 941 N LYS A 59 6.702 6.249 1.610 1.00 0.00 N ATOM 942 CA LYS A 59 7.118 7.258 0.643 1.00 0.00 C ATOM 943 C LYS A 59 5.951 8.164 0.266 1.00 0.00 C ATOM 944 O LYS A 59 5.835 8.600 -0.880 1.00 0.00 O ATOM 945 CB LYS A 59 7.683 6.588 -0.612 1.00 0.00 C ATOM 946 CG LYS A 59 9.182 6.347 -0.550 1.00 0.00 C ATOM 947 CD LYS A 59 9.578 5.617 0.722 1.00 0.00 C ATOM 948 CE LYS A 59 9.465 4.109 0.557 1.00 0.00 C ATOM 949 NZ LYS A 59 10.437 3.382 1.420 1.00 0.00 N ATOM 0 H LYS A 59 6.455 5.348 1.200 1.00 0.00 H new ATOM 0 HA LYS A 59 7.895 7.868 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.176 5.635 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.459 7.210 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.494 5.764 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.707 7.301 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.602 5.879 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.940 5.943 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.452 3.792 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.637 3.844 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.143 2.905 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.916 4.058 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.932 2.674 1.991 1.00 0.00 H new ATOM 963 N HIS A 60 5.088 8.445 1.237 1.00 0.00 N ATOM 964 CA HIS A 60 3.930 9.302 1.007 1.00 0.00 C ATOM 965 C HIS A 60 3.381 9.106 -0.403 1.00 0.00 C ATOM 966 O HIS A 60 3.002 10.067 -1.071 1.00 0.00 O ATOM 967 CB HIS A 60 4.304 10.769 1.222 1.00 0.00 C ATOM 968 CG HIS A 60 4.588 11.111 2.652 1.00 0.00 C ATOM 969 ND1 HIS A 60 5.366 12.185 3.028 1.00 0.00 N ATOM 970 CD2 HIS A 60 4.191 10.515 3.801 1.00 0.00 C ATOM 971 CE1 HIS A 60 5.437 12.234 4.346 1.00 0.00 C ATOM 972 NE2 HIS A 60 4.732 11.232 4.839 1.00 0.00 N ATOM 0 H HIS A 60 5.168 8.092 2.191 1.00 0.00 H new ATOM 0 HA HIS A 60 3.155 9.024 1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.182 11.004 0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.491 11.399 0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 60 3.565 9.639 3.885 1.00 0.00 H new ATOM 0 HE1 HIS A 60 5.979 12.969 4.923 1.00 0.00 H new ATOM 0 HE2 HIS A 60 4.609 11.025 5.830 1.00 0.00 H new ATOM 981 N ASN A 61 3.342 7.854 -0.849 1.00 0.00 N ATOM 982 CA ASN A 61 2.841 7.532 -2.180 1.00 0.00 C ATOM 983 C ASN A 61 1.319 7.628 -2.226 1.00 0.00 C ATOM 984 O ASN A 61 0.753 8.284 -3.101 1.00 0.00 O ATOM 985 CB ASN A 61 3.287 6.128 -2.591 1.00 0.00 C ATOM 986 CG ASN A 61 2.997 5.832 -4.049 1.00 0.00 C ATOM 987 OD1 ASN A 61 2.001 5.188 -4.378 1.00 0.00 O ATOM 988 ND2 ASN A 61 3.870 6.302 -4.933 1.00 0.00 N ATOM 0 H ASN A 61 3.651 7.046 -0.308 1.00 0.00 H new ATOM 0 HA ASN A 61 3.255 8.257 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.356 6.021 -2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.781 5.392 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.728 6.134 -5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.682 6.831 -4.616 1.00 0.00 H new ATOM 995 N TYR A 62 0.661 6.970 -1.278 1.00 0.00 N ATOM 996 CA TYR A 62 -0.795 6.979 -1.211 1.00 0.00 C ATOM 997 C TYR A 62 -1.301 8.246 -0.528 1.00 0.00 C ATOM 998 O TYR A 62 -1.360 8.323 0.700 1.00 0.00 O ATOM 999 CB TYR A 62 -1.299 5.745 -0.459 1.00 0.00 C ATOM 1000 CG TYR A 62 -0.919 4.438 -1.117 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.179 4.213 -2.463 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.299 3.428 -0.392 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -0.834 3.020 -3.068 1.00 0.00 C ATOM 1004 CE2 TYR A 62 0.051 2.232 -0.989 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.219 2.033 -2.326 1.00 0.00 C ATOM 1006 OH TYR A 62 0.127 0.843 -2.926 1.00 0.00 O ATOM 0 H TYR A 62 1.113 6.423 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.181 6.959 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.901 5.761 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.385 5.798 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.659 4.984 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.087 3.580 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.044 2.861 -4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.533 1.457 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 62 0.076 0.941 -3.900 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.666 9.238 -1.333 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.168 10.503 -0.809 1.00 0.00 C ATOM 1018 C LEU A 63 -3.645 10.393 -0.444 1.00 0.00 C ATOM 1019 O LEU A 63 -4.118 11.054 0.482 1.00 0.00 O ATOM 1020 CB LEU A 63 -1.967 11.619 -1.836 1.00 0.00 C ATOM 1021 CG LEU A 63 -3.116 11.840 -2.820 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -4.118 12.835 -2.256 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -2.583 12.321 -4.162 1.00 0.00 C ATOM 0 H LEU A 63 -1.624 9.190 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.606 10.743 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.790 12.551 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.063 11.403 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.626 10.889 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.929 12.980 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.524 12.452 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.621 13.788 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.414 12.473 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.048 13.261 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.904 11.574 -4.573 1.00 0.00 H new ATOM 1035 N THR A 64 -4.369 9.552 -1.175 1.00 0.00 N ATOM 1036 CA THR A 64 -5.792 9.354 -0.928 1.00 0.00 C ATOM 1037 C THR A 64 -6.062 7.968 -0.352 1.00 0.00 C ATOM 1038 O THR A 64 -5.148 7.158 -0.204 1.00 0.00 O ATOM 1039 CB THR A 64 -6.616 9.532 -2.217 1.00 0.00 C ATOM 1040 OG1 THR A 64 -5.851 9.108 -3.350 1.00 0.00 O ATOM 1041 CG2 THR A 64 -7.035 10.983 -2.395 1.00 0.00 C ATOM 0 H THR A 64 -3.993 8.997 -1.944 1.00 0.00 H new ATOM 0 HA THR A 64 -6.096 10.111 -0.205 1.00 0.00 H new ATOM 0 HB THR A 64 -7.514 8.919 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.383 9.223 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.616 11.084 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.642 11.293 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.148 11.613 -2.456 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.324 7.702 -0.031 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.715 6.413 0.526 1.00 0.00 C ATOM 1051 C ALA A 65 -8.091 5.430 -0.577 1.00 0.00 C ATOM 1052 O ALA A 65 -7.739 4.251 -0.519 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.873 6.587 1.497 1.00 0.00 C ATOM 0 H ALA A 65 -8.093 8.362 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.861 6.004 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.155 5.616 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.571 7.248 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.725 7.021 0.973 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.808 5.921 -1.582 1.00 0.00 N ATOM 1060 CA LYS A 66 -9.232 5.086 -2.700 1.00 0.00 C ATOM 1061 C LYS A 66 -8.027 4.489 -3.421 1.00 0.00 C ATOM 1062 O LYS A 66 -8.032 3.315 -3.789 1.00 0.00 O ATOM 1063 CB LYS A 66 -10.074 5.903 -3.682 1.00 0.00 C ATOM 1064 CG LYS A 66 -11.560 5.889 -3.368 1.00 0.00 C ATOM 1065 CD LYS A 66 -12.349 6.722 -4.364 1.00 0.00 C ATOM 1066 CE LYS A 66 -13.738 7.050 -3.840 1.00 0.00 C ATOM 1067 NZ LYS A 66 -13.699 8.100 -2.784 1.00 0.00 N ATOM 0 H LYS A 66 -9.108 6.894 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.837 4.270 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.721 6.934 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.920 5.515 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.926 4.862 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.724 6.273 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.811 7.646 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.433 6.181 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.367 7.387 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.197 6.147 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.657 8.476 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.346 7.687 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.067 8.870 -3.083 1.00 0.00 H new ATOM 1081 N ASP A 67 -6.997 5.305 -3.616 1.00 0.00 N ATOM 1082 CA ASP A 67 -5.784 4.857 -4.291 1.00 0.00 C ATOM 1083 C ASP A 67 -5.199 3.630 -3.598 1.00 0.00 C ATOM 1084 O ASP A 67 -4.910 2.620 -4.241 1.00 0.00 O ATOM 1085 CB ASP A 67 -4.748 5.981 -4.324 1.00 0.00 C ATOM 1086 CG ASP A 67 -4.907 6.880 -5.534 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -5.458 6.411 -6.552 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -4.480 8.052 -5.464 1.00 0.00 O ATOM 0 H ASP A 67 -6.978 6.280 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.046 4.585 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.836 6.579 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.747 5.549 -4.325 1.00 0.00 H new ATOM 1093 N PHE A 68 -5.027 3.724 -2.284 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.475 2.623 -1.504 1.00 0.00 C ATOM 1095 C PHE A 68 -5.204 1.318 -1.814 1.00 0.00 C ATOM 1096 O PHE A 68 -4.581 0.313 -2.161 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.571 2.931 -0.008 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.534 1.705 0.860 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.429 0.869 0.854 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.604 1.389 1.680 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.391 -0.259 1.652 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.573 0.263 2.481 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.465 -0.563 2.465 1.00 0.00 C ATOM 0 H PHE A 68 -5.262 4.552 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.426 2.507 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.749 3.590 0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.496 3.475 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.587 1.101 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.473 2.030 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.523 -0.901 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.413 0.029 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.439 -1.445 3.088 1.00 0.00 H new ATOM 1113 N LEU A 69 -6.526 1.341 -1.685 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.341 0.161 -1.950 1.00 0.00 C ATOM 1115 C LEU A 69 -7.169 -0.307 -3.392 1.00 0.00 C ATOM 1116 O LEU A 69 -6.909 -1.483 -3.648 1.00 0.00 O ATOM 1117 CB LEU A 69 -8.814 0.461 -1.672 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.232 0.469 -0.201 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -10.535 1.232 -0.021 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -9.367 -0.953 0.323 1.00 0.00 C ATOM 0 H LEU A 69 -7.056 2.164 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.008 -0.637 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.053 1.434 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.420 -0.278 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.457 0.974 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.817 1.227 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.404 2.261 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.320 0.756 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.665 -0.928 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.122 -1.484 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.410 -1.467 0.230 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.312 0.622 -4.331 1.00 0.00 N ATOM 1133 CA LYS A 70 -7.170 0.307 -5.748 1.00 0.00 C ATOM 1134 C LYS A 70 -6.066 -0.723 -5.968 1.00 0.00 C ATOM 1135 O LYS A 70 -6.184 -1.600 -6.823 1.00 0.00 O ATOM 1136 CB LYS A 70 -6.864 1.577 -6.545 1.00 0.00 C ATOM 1137 CG LYS A 70 -8.106 2.327 -6.994 1.00 0.00 C ATOM 1138 CD LYS A 70 -7.750 3.535 -7.844 1.00 0.00 C ATOM 1139 CE LYS A 70 -8.991 4.183 -8.439 1.00 0.00 C ATOM 1140 NZ LYS A 70 -8.646 5.296 -9.366 1.00 0.00 N ATOM 0 H LYS A 70 -7.526 1.600 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.112 -0.116 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.250 2.240 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.273 1.312 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.751 1.657 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.673 2.650 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.214 4.264 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.077 3.231 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.572 3.432 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.623 4.562 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.519 5.711 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.114 6.025 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.064 4.930 -10.146 1.00 0.00 H new ATOM 1154 N ASP A 71 -4.995 -0.610 -5.190 1.00 0.00 N ATOM 1155 CA ASP A 71 -3.871 -1.533 -5.299 1.00 0.00 C ATOM 1156 C ASP A 71 -4.217 -2.885 -4.682 1.00 0.00 C ATOM 1157 O ASP A 71 -3.889 -3.934 -5.238 1.00 0.00 O ATOM 1158 CB ASP A 71 -2.635 -0.947 -4.614 1.00 0.00 C ATOM 1159 CG ASP A 71 -1.963 0.123 -5.451 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -2.603 1.164 -5.708 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -0.797 -0.080 -5.850 1.00 0.00 O ATOM 0 H ASP A 71 -4.881 0.111 -4.478 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.655 -1.681 -6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.923 -0.524 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.922 -1.746 -4.411 1.00 0.00 H new ATOM 1166 N ILE A 72 -4.879 -2.852 -3.530 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.268 -4.075 -2.839 1.00 0.00 C ATOM 1168 C ILE A 72 -6.130 -4.961 -3.732 1.00 0.00 C ATOM 1169 O ILE A 72 -6.073 -6.188 -3.646 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.040 -3.766 -1.542 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.227 -2.826 -0.650 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -6.369 -5.054 -0.803 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -3.967 -3.456 -0.099 1.00 0.00 C ATOM 0 H ILE A 72 -5.157 -1.993 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.348 -4.603 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.975 -3.270 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.959 -1.937 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.851 -2.495 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.914 -4.820 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.983 -5.692 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.445 -5.575 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.441 -2.733 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.228 -4.329 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.322 -3.761 -0.923 1.00 0.00 H new ATOM 1185 N ASP A 73 -6.926 -4.331 -4.589 1.00 0.00 N ATOM 1186 CA ASP A 73 -7.798 -5.062 -5.501 1.00 0.00 C ATOM 1187 C ASP A 73 -6.981 -5.859 -6.513 1.00 0.00 C ATOM 1188 O ASP A 73 -7.439 -6.877 -7.034 1.00 0.00 O ATOM 1189 CB ASP A 73 -8.734 -4.097 -6.229 1.00 0.00 C ATOM 1190 CG ASP A 73 -9.486 -4.765 -7.364 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -8.863 -5.032 -8.413 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -10.698 -5.021 -7.202 1.00 0.00 O ATOM 0 H ASP A 73 -6.985 -3.316 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.394 -5.760 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.449 -3.683 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.155 -3.262 -6.623 1.00 0.00 H new ATOM 1197 N LEU A 74 -5.769 -5.389 -6.788 1.00 0.00 N ATOM 1198 CA LEU A 74 -4.887 -6.057 -7.739 1.00 0.00 C ATOM 1199 C LEU A 74 -4.336 -7.353 -7.154 1.00 0.00 C ATOM 1200 O LEU A 74 -4.261 -8.373 -7.840 1.00 0.00 O ATOM 1201 CB LEU A 74 -3.734 -5.131 -8.132 1.00 0.00 C ATOM 1202 CG LEU A 74 -2.698 -5.719 -9.091 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.365 -6.192 -10.373 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -1.613 -4.697 -9.397 1.00 0.00 C ATOM 0 H LEU A 74 -5.375 -4.548 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.469 -6.300 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.154 -4.234 -8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.221 -4.816 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.233 -6.579 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.612 -6.607 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.104 -6.958 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.858 -5.350 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.885 -5.133 -10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.062 -3.817 -9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.114 -4.408 -8.472 1.00 0.00 H new ATOM 1216 N ILE A 75 -3.955 -7.307 -5.882 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.415 -8.478 -5.204 1.00 0.00 C ATOM 1218 C ILE A 75 -4.396 -9.644 -5.255 1.00 0.00 C ATOM 1219 O ILE A 75 -3.999 -10.795 -5.441 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.076 -8.171 -3.733 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.030 -7.058 -3.649 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.579 -9.426 -3.031 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -1.728 -6.617 -2.234 1.00 0.00 C ATOM 0 H ILE A 75 -4.010 -6.471 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.500 -8.753 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.982 -7.831 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.108 -7.401 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.379 -6.199 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.344 -9.193 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.353 -10.192 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.683 -9.793 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.978 -5.826 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.639 -6.243 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.349 -7.464 -1.662 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.678 -9.339 -5.091 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.718 -10.361 -5.119 1.00 0.00 C ATOM 1237 C CYS A 76 -6.983 -10.828 -6.547 1.00 0.00 C ATOM 1238 O CYS A 76 -7.463 -11.939 -6.768 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.008 -9.824 -4.498 1.00 0.00 C ATOM 1240 SG CYS A 76 -9.328 -11.052 -4.361 1.00 0.00 S ATOM 0 H CYS A 76 -6.023 -8.391 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.370 -11.213 -4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.785 -9.433 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.366 -8.987 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 76 -10.377 -10.504 -3.823 1.00 0.00 H new ATOM 1246 N SER A 77 -6.668 -9.970 -7.512 1.00 0.00 N ATOM 1247 CA SER A 77 -6.877 -10.292 -8.919 1.00 0.00 C ATOM 1248 C SER A 77 -5.948 -11.418 -9.362 1.00 0.00 C ATOM 1249 O SER A 77 -6.401 -12.488 -9.766 1.00 0.00 O ATOM 1250 CB SER A 77 -6.646 -9.053 -9.787 1.00 0.00 C ATOM 1251 OG SER A 77 -7.809 -8.246 -9.843 1.00 0.00 O ATOM 0 H SER A 77 -6.267 -9.047 -7.345 1.00 0.00 H new ATOM 0 HA SER A 77 -7.908 -10.625 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.816 -8.473 -9.384 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.363 -9.358 -10.794 1.00 0.00 H new ATOM 0 HG SER A 77 -7.864 -7.694 -9.035 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.645 -11.168 -9.284 1.00 0.00 N ATOM 1258 CA ASN A 78 -3.651 -12.159 -9.677 1.00 0.00 C ATOM 1259 C ASN A 78 -3.624 -13.324 -8.691 1.00 0.00 C ATOM 1260 O ASN A 78 -3.201 -14.428 -9.031 1.00 0.00 O ATOM 1261 CB ASN A 78 -2.265 -11.517 -9.762 1.00 0.00 C ATOM 1262 CG ASN A 78 -2.026 -10.509 -8.655 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.678 -10.550 -7.611 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -1.087 -9.596 -8.878 1.00 0.00 N ATOM 0 H ASN A 78 -4.253 -10.287 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.927 -12.543 -10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.503 -12.295 -9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.154 -11.025 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.882 -8.892 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.571 -9.599 -9.758 1.00 0.00 H new ATOM 1271 N ALA A 79 -4.081 -13.068 -7.470 1.00 0.00 N ATOM 1272 CA ALA A 79 -4.112 -14.095 -6.436 1.00 0.00 C ATOM 1273 C ALA A 79 -5.142 -15.171 -6.762 1.00 0.00 C ATOM 1274 O ALA A 79 -5.204 -16.207 -6.098 1.00 0.00 O ATOM 1275 CB ALA A 79 -4.410 -13.470 -5.080 1.00 0.00 C ATOM 0 H ALA A 79 -4.435 -12.159 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.131 -14.568 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.430 -14.248 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.635 -12.743 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.378 -12.971 -5.114 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.949 -14.920 -7.787 1.00 0.00 N ATOM 1282 CA LEU A 80 -6.977 -15.868 -8.201 1.00 0.00 C ATOM 1283 C LEU A 80 -6.846 -16.201 -9.684 1.00 0.00 C ATOM 1284 O LEU A 80 -6.890 -17.367 -10.074 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.368 -15.299 -7.916 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.566 -14.672 -6.535 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.781 -13.758 -6.534 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -8.708 -15.753 -5.474 1.00 0.00 C ATOM 0 H LEU A 80 -5.911 -14.068 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.842 -16.785 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.592 -14.545 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.098 -16.099 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.686 -14.073 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.907 -13.321 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.639 -12.963 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.670 -14.334 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.848 -15.289 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.570 -16.379 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.808 -16.367 -5.458 1.00 0.00 H new ATOM 1300 N GLU A 81 -6.682 -15.168 -10.505 1.00 0.00 N ATOM 1301 CA GLU A 81 -6.542 -15.352 -11.944 1.00 0.00 C ATOM 1302 C GLU A 81 -5.377 -16.285 -12.263 1.00 0.00 C ATOM 1303 O GLU A 81 -5.575 -17.405 -12.733 1.00 0.00 O ATOM 1304 CB GLU A 81 -6.334 -14.003 -12.635 1.00 0.00 C ATOM 1305 CG GLU A 81 -7.631 -13.303 -13.006 1.00 0.00 C ATOM 1306 CD GLU A 81 -7.411 -11.874 -13.465 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -7.117 -11.676 -14.663 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -7.534 -10.956 -12.629 1.00 0.00 O ATOM 0 H GLU A 81 -6.643 -14.196 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.460 -15.805 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.755 -13.353 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.741 -14.154 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.128 -13.863 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.300 -13.306 -12.146 1.00 0.00 H new ATOM 1315 N TYR A 82 -4.162 -15.813 -12.005 1.00 0.00 N ATOM 1316 CA TYR A 82 -2.965 -16.602 -12.268 1.00 0.00 C ATOM 1317 C TYR A 82 -3.021 -17.938 -11.533 1.00 0.00 C ATOM 1318 O TYR A 82 -2.870 -18.999 -12.138 1.00 0.00 O ATOM 1319 CB TYR A 82 -1.715 -15.828 -11.845 1.00 0.00 C ATOM 1320 CG TYR A 82 -1.224 -14.853 -12.891 1.00 0.00 C ATOM 1321 CD1 TYR A 82 -1.962 -13.722 -13.216 1.00 0.00 C ATOM 1322 CD2 TYR A 82 -0.022 -15.064 -13.556 1.00 0.00 C ATOM 1323 CE1 TYR A 82 -1.518 -12.829 -14.172 1.00 0.00 C ATOM 1324 CE2 TYR A 82 0.431 -14.177 -14.512 1.00 0.00 C ATOM 1325 CZ TYR A 82 -0.320 -13.061 -14.817 1.00 0.00 C ATOM 1326 OH TYR A 82 0.127 -12.174 -15.770 1.00 0.00 O ATOM 0 H TYR A 82 -3.981 -14.888 -11.614 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.918 -16.798 -13.339 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -1.929 -15.284 -10.925 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -0.918 -16.537 -11.618 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.899 -13.537 -12.712 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.568 -15.937 -13.321 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.105 -11.955 -14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.368 -14.356 -15.018 1.00 0.00 H new ATOM 0 HH TYR A 82 0.986 -12.483 -16.127 1.00 0.00 H new ATOM 1431 N ASP A 90 -5.696 -25.076 -3.035 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.987 -23.776 -3.629 1.00 0.00 C ATOM 1433 C ASP A 90 -7.362 -23.277 -3.199 1.00 0.00 C ATOM 1434 O ASP A 90 -7.544 -22.094 -2.913 1.00 0.00 O ATOM 1435 CB ASP A 90 -5.915 -23.862 -5.154 1.00 0.00 C ATOM 1436 CG ASP A 90 -6.592 -22.687 -5.832 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -5.922 -21.652 -6.034 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -7.792 -22.801 -6.161 1.00 0.00 O ATOM 0 HA ASP A 90 -5.238 -23.067 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.871 -23.904 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.384 -24.789 -5.485 1.00 0.00 H new ATOM 1443 N LYS A 91 -8.329 -24.187 -3.156 1.00 0.00 N ATOM 1444 CA LYS A 91 -9.690 -23.841 -2.761 1.00 0.00 C ATOM 1445 C LYS A 91 -9.684 -22.855 -1.597 1.00 0.00 C ATOM 1446 O LYS A 91 -10.398 -21.853 -1.617 1.00 0.00 O ATOM 1447 CB LYS A 91 -10.466 -25.102 -2.371 1.00 0.00 C ATOM 1448 CG LYS A 91 -10.632 -26.090 -3.512 1.00 0.00 C ATOM 1449 CD LYS A 91 -10.888 -27.497 -2.998 1.00 0.00 C ATOM 1450 CE LYS A 91 -12.328 -27.669 -2.539 1.00 0.00 C ATOM 1451 NZ LYS A 91 -12.566 -27.038 -1.211 1.00 0.00 N ATOM 0 H LYS A 91 -8.196 -25.171 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.180 -23.369 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.951 -25.595 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.451 -24.814 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.460 -25.777 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.735 -26.086 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.667 -28.219 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.213 -27.711 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.999 -27.228 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.567 -28.731 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.170 -27.658 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.657 -26.894 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.037 -26.120 -1.342 1.00 0.00 H new ATOM 1465 N ILE A 92 -8.873 -23.146 -0.585 1.00 0.00 N ATOM 1466 CA ILE A 92 -8.773 -22.283 0.585 1.00 0.00 C ATOM 1467 C ILE A 92 -8.328 -20.878 0.196 1.00 0.00 C ATOM 1468 O ILE A 92 -8.811 -19.888 0.747 1.00 0.00 O ATOM 1469 CB ILE A 92 -7.787 -22.853 1.622 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -8.303 -24.184 2.173 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -7.569 -21.856 2.750 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -7.915 -25.378 1.329 1.00 0.00 C ATOM 0 H ILE A 92 -8.276 -23.972 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.768 -22.236 1.028 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.831 -23.031 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.919 -24.323 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.390 -24.140 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.870 -22.274 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.161 -20.930 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.520 -21.649 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.314 -26.287 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.322 -25.261 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.829 -25.447 1.274 1.00 0.00 H new ATOM 1484 N ILE A 93 -7.406 -20.798 -0.757 1.00 0.00 N ATOM 1485 CA ILE A 93 -6.898 -19.513 -1.223 1.00 0.00 C ATOM 1486 C ILE A 93 -8.039 -18.581 -1.617 1.00 0.00 C ATOM 1487 O ILE A 93 -8.040 -17.402 -1.265 1.00 0.00 O ATOM 1488 CB ILE A 93 -5.951 -19.684 -2.425 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.742 -20.537 -2.033 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -5.502 -18.326 -2.944 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -3.881 -19.908 -0.961 1.00 0.00 C ATOM 0 H ILE A 93 -6.995 -21.608 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.343 -19.074 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.490 -20.196 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.091 -21.509 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.132 -20.717 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.833 -18.464 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.373 -17.750 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.978 -17.789 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.044 -20.568 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.502 -18.949 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.476 -19.753 -0.061 1.00 0.00 H new ATOM 1503 N ARG A 94 -9.009 -19.120 -2.348 1.00 0.00 N ATOM 1504 CA ARG A 94 -10.157 -18.336 -2.789 1.00 0.00 C ATOM 1505 C ARG A 94 -10.911 -17.756 -1.596 1.00 0.00 C ATOM 1506 O ARG A 94 -11.303 -16.588 -1.605 1.00 0.00 O ATOM 1507 CB ARG A 94 -11.099 -19.201 -3.629 1.00 0.00 C ATOM 1508 CG ARG A 94 -10.620 -19.416 -5.055 1.00 0.00 C ATOM 1509 CD ARG A 94 -9.679 -20.607 -5.154 1.00 0.00 C ATOM 1510 NE ARG A 94 -9.491 -21.043 -6.535 1.00 0.00 N ATOM 1511 CZ ARG A 94 -8.750 -20.383 -7.419 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -8.132 -19.264 -7.067 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -8.626 -20.843 -8.657 1.00 0.00 N ATOM 0 H ARG A 94 -9.023 -20.095 -2.647 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.789 -17.512 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.217 -20.170 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.084 -18.734 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.478 -19.574 -5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.111 -18.519 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.713 -20.343 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.076 -21.433 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.953 -21.900 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.225 -18.908 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.564 -18.759 -7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.100 -21.704 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.057 -20.336 -9.335 1.00 0.00 H new ATOM 1527 N HIS A 95 -11.109 -18.578 -0.571 1.00 0.00 N ATOM 1528 CA HIS A 95 -11.816 -18.146 0.630 1.00 0.00 C ATOM 1529 C HIS A 95 -11.094 -16.978 1.294 1.00 0.00 C ATOM 1530 O HIS A 95 -11.722 -16.005 1.712 1.00 0.00 O ATOM 1531 CB HIS A 95 -11.946 -19.308 1.616 1.00 0.00 C ATOM 1532 CG HIS A 95 -13.162 -20.152 1.389 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -14.245 -20.156 2.243 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -13.464 -21.022 0.397 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -15.160 -20.993 1.787 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -14.710 -21.531 0.668 1.00 0.00 N ATOM 0 H HIS A 95 -10.790 -19.547 -0.547 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.812 -17.815 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.059 -19.937 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.973 -18.911 2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.841 -21.270 -0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -16.113 -21.202 2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -15.208 -22.214 0.097 1.00 0.00 H new ATOM 1545 N ARG A 96 -9.772 -17.082 1.388 1.00 0.00 N ATOM 1546 CA ARG A 96 -8.966 -16.035 2.004 1.00 0.00 C ATOM 1547 C ARG A 96 -8.959 -14.776 1.141 1.00 0.00 C ATOM 1548 O ARG A 96 -9.377 -13.706 1.584 1.00 0.00 O ATOM 1549 CB ARG A 96 -7.533 -16.526 2.219 1.00 0.00 C ATOM 1550 CG ARG A 96 -7.404 -17.565 3.321 1.00 0.00 C ATOM 1551 CD ARG A 96 -6.149 -18.406 3.150 1.00 0.00 C ATOM 1552 NE ARG A 96 -6.000 -19.390 4.218 1.00 0.00 N ATOM 1553 CZ ARG A 96 -4.887 -20.084 4.428 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -3.831 -19.902 3.648 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -4.828 -20.963 5.421 1.00 0.00 N ATOM 0 H ARG A 96 -9.237 -17.880 1.046 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.409 -15.791 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.159 -16.949 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.898 -15.673 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.380 -17.067 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.281 -18.213 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.184 -18.918 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.275 -17.754 3.133 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.794 -19.554 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.872 -19.227 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.978 -20.436 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.638 -21.106 6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.973 -21.495 5.581 1.00 0.00 H new ATOM 1569 N ALA A 97 -8.482 -14.912 -0.091 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.422 -13.787 -1.016 1.00 0.00 C ATOM 1571 C ALA A 97 -9.756 -13.049 -1.069 1.00 0.00 C ATOM 1572 O ALA A 97 -9.855 -11.897 -0.645 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.026 -14.265 -2.405 1.00 0.00 C ATOM 0 H ALA A 97 -8.131 -15.791 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.665 -13.091 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.985 -13.414 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.046 -14.741 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.762 -14.983 -2.766 1.00 0.00 H new ATOM 1579 N CYS A 98 -10.777 -13.718 -1.592 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.104 -13.125 -1.702 1.00 0.00 C ATOM 1581 C CYS A 98 -12.482 -12.395 -0.417 1.00 0.00 C ATOM 1582 O CYS A 98 -13.174 -11.377 -0.448 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.143 -14.202 -2.015 1.00 0.00 C ATOM 1584 SG CYS A 98 -13.175 -14.716 -3.748 1.00 0.00 S ATOM 0 H CYS A 98 -10.711 -14.672 -1.947 1.00 0.00 H new ATOM 0 HA CYS A 98 -12.085 -12.402 -2.517 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -12.945 -15.074 -1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -14.130 -13.831 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 98 -14.084 -15.631 -3.913 1.00 0.00 H new ATOM 1590 N THR A 99 -12.023 -12.923 0.714 1.00 0.00 N ATOM 1591 CA THR A 99 -12.315 -12.324 2.010 1.00 0.00 C ATOM 1592 C THR A 99 -11.450 -11.092 2.254 1.00 0.00 C ATOM 1593 O THR A 99 -11.900 -10.114 2.851 1.00 0.00 O ATOM 1594 CB THR A 99 -12.091 -13.329 3.156 1.00 0.00 C ATOM 1595 OG1 THR A 99 -13.045 -14.393 3.068 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.213 -12.643 4.508 1.00 0.00 C ATOM 0 H THR A 99 -11.448 -13.764 0.758 1.00 0.00 H new ATOM 0 HA THR A 99 -13.365 -12.030 1.993 1.00 0.00 H new ATOM 0 HB THR A 99 -11.084 -13.736 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.819 -14.973 2.311 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.051 -13.372 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.466 -11.852 4.584 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.209 -12.212 4.609 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.208 -11.146 1.787 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.280 -10.033 1.953 1.00 0.00 C ATOM 1606 C LEU A 100 -9.834 -8.762 1.319 1.00 0.00 C ATOM 1607 O LEU A 100 -9.717 -7.672 1.880 1.00 0.00 O ATOM 1608 CB LEU A 100 -7.924 -10.377 1.334 1.00 0.00 C ATOM 1609 CG LEU A 100 -6.973 -9.201 1.105 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.140 -8.939 2.350 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -6.074 -9.467 -0.093 1.00 0.00 C ATOM 0 H LEU A 100 -9.820 -11.948 1.291 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.151 -9.857 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.426 -11.101 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.098 -10.869 0.377 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.569 -8.312 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.469 -8.099 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.799 -8.703 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.554 -9.826 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.404 -8.620 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.486 -10.367 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.686 -9.605 -0.984 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.440 -8.908 0.145 1.00 0.00 N ATOM 1624 CA LYS A 101 -11.017 -7.774 -0.566 1.00 0.00 C ATOM 1625 C LYS A 101 -12.085 -7.087 0.280 1.00 0.00 C ATOM 1626 O LYS A 101 -12.064 -5.869 0.454 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.621 -8.232 -1.895 1.00 0.00 C ATOM 1628 CG LYS A 101 -11.894 -7.094 -2.864 1.00 0.00 C ATOM 1629 CD LYS A 101 -11.953 -7.586 -4.300 1.00 0.00 C ATOM 1630 CE LYS A 101 -13.356 -8.033 -4.679 1.00 0.00 C ATOM 1631 NZ LYS A 101 -13.540 -8.093 -6.155 1.00 0.00 N ATOM 0 H LYS A 101 -10.544 -9.802 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.219 -7.058 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.944 -8.944 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.553 -8.761 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.837 -6.612 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.114 -6.339 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.630 -6.791 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.258 -8.416 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.553 -9.015 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.084 -7.345 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.509 -8.402 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.377 -7.151 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.862 -8.769 -6.562 1.00 0.00 H new ATOM 1645 N ASP A 102 -13.016 -7.877 0.804 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.090 -7.345 1.634 1.00 0.00 C ATOM 1647 C ASP A 102 -13.535 -6.740 2.920 1.00 0.00 C ATOM 1648 O ASP A 102 -13.918 -5.639 3.318 1.00 0.00 O ATOM 1649 CB ASP A 102 -15.099 -8.446 1.967 1.00 0.00 C ATOM 1650 CG ASP A 102 -14.740 -9.195 3.236 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -14.748 -8.569 4.316 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -14.450 -10.407 3.148 1.00 0.00 O ATOM 0 H ASP A 102 -13.048 -8.887 0.669 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.594 -6.559 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -16.090 -8.006 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.153 -9.149 1.136 1.00 0.00 H new ATOM 1657 N THR A 103 -12.631 -7.468 3.568 1.00 0.00 N ATOM 1658 CA THR A 103 -12.025 -7.005 4.810 1.00 0.00 C ATOM 1659 C THR A 103 -11.415 -5.618 4.640 1.00 0.00 C ATOM 1660 O THR A 103 -11.798 -4.673 5.328 1.00 0.00 O ATOM 1661 CB THR A 103 -10.935 -7.977 5.299 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.445 -9.314 5.322 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.449 -7.590 6.688 1.00 0.00 C ATOM 0 H THR A 103 -12.302 -8.381 3.253 1.00 0.00 H new ATOM 0 HA THR A 103 -12.821 -6.960 5.553 1.00 0.00 H new ATOM 0 HB THR A 103 -10.094 -7.922 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.290 -9.738 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.680 -8.291 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.034 -6.582 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.285 -7.619 7.387 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.463 -5.504 3.720 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.802 -4.232 3.458 1.00 0.00 C ATOM 1673 C ALA A 104 -10.821 -3.124 3.212 1.00 0.00 C ATOM 1674 O ALA A 104 -10.755 -2.058 3.825 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.861 -4.360 2.270 1.00 0.00 C ATOM 0 H ALA A 104 -10.132 -6.278 3.143 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.220 -3.965 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.375 -3.402 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.105 -5.116 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.428 -4.654 1.387 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.762 -3.383 2.310 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.795 -2.407 1.982 1.00 0.00 C ATOM 1683 C HIS A 105 -13.688 -2.134 3.189 1.00 0.00 C ATOM 1684 O HIS A 105 -14.297 -1.070 3.295 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.641 -2.903 0.809 1.00 0.00 C ATOM 1686 CG HIS A 105 -13.050 -2.588 -0.531 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -13.357 -1.446 -1.240 1.00 0.00 N ATOM 1688 CD2 HIS A 105 -12.164 -3.274 -1.291 1.00 0.00 C ATOM 1689 CE1 HIS A 105 -12.687 -1.444 -2.378 1.00 0.00 C ATOM 1690 NE2 HIS A 105 -11.955 -2.542 -2.433 1.00 0.00 N ATOM 0 H HIS A 105 -11.831 -4.260 1.793 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.304 -1.476 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.770 -3.982 0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.633 -2.457 0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.707 -4.221 -1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.730 -0.675 -3.135 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -11.335 -2.803 -3.200 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.761 -3.103 4.096 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.578 -2.967 5.295 1.00 0.00 C ATOM 1701 C ALA A 106 -13.931 -2.015 6.295 1.00 0.00 C ATOM 1702 O ALA A 106 -14.513 -0.993 6.660 1.00 0.00 O ATOM 1703 CB ALA A 106 -14.809 -4.329 5.934 1.00 0.00 C ATOM 0 H ALA A 106 -13.264 -3.991 4.023 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.540 -2.547 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.421 -4.212 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.322 -4.981 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.850 -4.771 6.205 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.724 -2.356 6.734 1.00 0.00 N ATOM 1710 CA ILE A 107 -11.998 -1.531 7.692 1.00 0.00 C ATOM 1711 C ILE A 107 -11.944 -0.077 7.234 1.00 0.00 C ATOM 1712 O ILE A 107 -12.196 0.840 8.016 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.562 -2.044 7.903 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.583 -3.488 8.409 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.816 -1.146 8.879 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.256 -4.200 8.259 1.00 0.00 C ATOM 0 H ILE A 107 -12.228 -3.198 6.442 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.539 -1.593 8.636 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.039 -2.021 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.872 -3.492 9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.348 -4.044 7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.802 -1.522 9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.776 -0.132 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.335 -1.140 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.345 -5.218 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.975 -4.228 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.491 -3.668 8.825 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.616 0.126 5.962 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.532 1.468 5.400 1.00 0.00 C ATOM 1730 C ILE A 108 -12.889 2.163 5.431 1.00 0.00 C ATOM 1731 O ILE A 108 -13.007 3.295 5.897 1.00 0.00 O ATOM 1732 CB ILE A 108 -11.016 1.439 3.949 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.655 0.742 3.883 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.921 2.852 3.393 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.525 1.568 4.456 1.00 0.00 C ATOM 0 H ILE A 108 -11.404 -0.622 5.302 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.827 2.025 6.017 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.722 0.876 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.713 -0.203 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.429 0.502 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.555 2.815 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.907 3.317 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.233 3.438 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.591 1.012 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.440 2.502 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.729 1.786 5.504 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.912 1.475 4.933 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.261 2.024 4.907 1.00 0.00 C ATOM 1749 C ALA A 109 -15.716 2.429 6.305 1.00 0.00 C ATOM 1750 O ALA A 109 -16.385 3.447 6.480 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.230 1.016 4.306 1.00 0.00 C ATOM 0 H ALA A 109 -13.831 0.536 4.542 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.251 2.918 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.234 1.440 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.923 0.779 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.228 0.106 4.907 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.350 1.624 7.298 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.720 1.899 8.681 1.00 0.00 C ATOM 1759 C ALA A 110 -14.941 3.090 9.230 1.00 0.00 C ATOM 1760 O ALA A 110 -15.524 4.113 9.587 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.487 0.669 9.544 1.00 0.00 C ATOM 0 H ALA A 110 -14.798 0.776 7.170 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.781 2.150 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.768 0.889 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.093 -0.157 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.433 0.392 9.506 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.621 2.948 9.296 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.763 4.012 9.804 1.00 0.00 C ATOM 1769 C GLU A 111 -12.856 5.253 8.922 1.00 0.00 C ATOM 1770 O GLU A 111 -13.355 6.296 9.348 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.311 3.534 9.881 1.00 0.00 C ATOM 1772 CG GLU A 111 -11.091 2.415 10.884 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.662 2.358 11.390 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -9.223 3.330 12.039 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -8.984 1.340 11.136 1.00 0.00 O ATOM 0 H GLU A 111 -13.123 2.107 9.004 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.105 4.273 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.997 3.193 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.673 4.378 10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.766 2.551 11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.347 1.462 10.421 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.372 5.135 7.691 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.399 6.247 6.748 1.00 0.00 C ATOM 1784 C LEU A 112 -13.709 7.021 6.855 1.00 0.00 C ATOM 1785 O LEU A 112 -14.788 6.466 6.647 1.00 0.00 O ATOM 1786 CB LEU A 112 -12.212 5.734 5.319 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.731 6.762 4.294 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -10.389 7.343 4.711 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.636 6.133 2.912 1.00 0.00 C ATOM 0 H LEU A 112 -11.956 4.280 7.322 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.579 6.921 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.498 4.911 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -13.161 5.324 4.974 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.458 7.573 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.062 8.073 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.489 7.831 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.652 6.543 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.292 6.879 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.930 5.303 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.617 5.766 2.611 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.606 8.305 7.180 1.00 0.00 N ATOM 1802 CA ASP A 113 -14.783 9.156 7.313 1.00 0.00 C ATOM 1803 C ASP A 113 -14.979 10.010 6.064 1.00 0.00 C ATOM 1804 O ASP A 113 -14.046 10.260 5.300 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.653 10.054 8.544 1.00 0.00 C ATOM 1806 CG ASP A 113 -15.062 9.347 9.821 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -16.275 9.309 10.117 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.170 8.830 10.525 1.00 0.00 O ATOM 0 H ASP A 113 -12.720 8.779 7.356 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.655 8.513 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.621 10.394 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.271 10.942 8.410 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.221 10.468 5.849 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.568 11.301 4.693 1.00 0.00 C ATOM 1815 C PRO A 114 -15.963 12.697 4.782 1.00 0.00 C ATOM 1816 O PRO A 114 -15.966 13.447 3.806 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.096 11.375 4.757 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.427 11.154 6.192 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.381 10.210 6.718 1.00 0.00 C ATOM 0 HA PRO A 114 -16.186 10.885 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.460 12.342 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.556 10.617 4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.417 12.094 6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.425 10.730 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.151 10.408 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -17.708 9.172 6.654 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.444 13.039 5.957 1.00 0.00 N ATOM 1828 CA GLU A 115 -14.835 14.347 6.171 1.00 0.00 C ATOM 1829 C GLU A 115 -13.319 14.274 6.013 1.00 0.00 C ATOM 1830 O GLU A 115 -12.683 15.228 5.565 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.189 14.877 7.562 1.00 0.00 C ATOM 1832 CG GLU A 115 -14.965 13.866 8.674 1.00 0.00 C ATOM 1833 CD GLU A 115 -15.015 14.495 10.053 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -14.018 15.130 10.453 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -16.054 14.351 10.732 1.00 0.00 O ATOM 0 H GLU A 115 -15.433 12.429 6.775 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.229 15.030 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -14.592 15.766 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.234 15.186 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.722 13.085 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.997 13.385 8.533 1.00 0.00 H new ATOM 1842 N PHE A 116 -12.746 13.134 6.385 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.304 12.935 6.286 1.00 0.00 C ATOM 1844 C PHE A 116 -10.908 12.517 4.873 1.00 0.00 C ATOM 1845 O PHE A 116 -9.855 12.908 4.371 1.00 0.00 O ATOM 1846 CB PHE A 116 -10.844 11.878 7.291 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.362 11.633 7.268 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -8.472 12.661 7.532 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -8.859 10.374 6.981 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.108 12.439 7.511 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.496 10.146 6.959 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.620 11.180 7.223 1.00 0.00 C ATOM 0 H PHE A 116 -13.258 12.334 6.758 1.00 0.00 H new ATOM 0 HA PHE A 116 -10.815 13.882 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.137 12.190 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.362 10.942 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.848 13.648 7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.540 9.562 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.425 13.249 7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.117 9.160 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.555 11.004 7.204 1.00 0.00 H new ATOM 1862 N ASN A 117 -11.760 11.718 4.238 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.499 11.245 2.884 1.00 0.00 C ATOM 1864 C ASN A 117 -11.594 12.390 1.880 1.00 0.00 C ATOM 1865 O ASN A 117 -10.785 12.490 0.957 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.488 10.139 2.508 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.152 9.490 1.180 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -11.100 8.869 1.028 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.047 9.632 0.209 1.00 0.00 N ATOM 0 H ASN A 117 -12.636 11.385 4.640 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.486 10.843 2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.493 9.379 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.494 10.556 2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.876 9.218 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.906 10.155 0.380 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.587 13.253 2.067 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.788 14.392 1.180 1.00 0.00 C ATOM 1878 C LYS A 118 -11.619 15.368 1.274 1.00 0.00 C ATOM 1879 O LYS A 118 -11.323 16.091 0.322 1.00 0.00 O ATOM 1880 CB LYS A 118 -14.095 15.110 1.526 1.00 0.00 C ATOM 1881 CG LYS A 118 -13.952 16.125 2.647 1.00 0.00 C ATOM 1882 CD LYS A 118 -15.307 16.612 3.135 1.00 0.00 C ATOM 1883 CE LYS A 118 -15.166 17.786 4.092 1.00 0.00 C ATOM 1884 NZ LYS A 118 -14.375 17.424 5.300 1.00 0.00 N ATOM 0 H LYS A 118 -13.265 13.185 2.826 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.845 14.019 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.469 15.615 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.842 14.369 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.405 15.677 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -13.364 16.973 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -15.917 16.908 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -15.830 15.796 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -14.684 18.618 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -16.155 18.129 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -13.699 18.185 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -15.016 17.294 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.857 16.540 5.124 1.00 0.00 H new ATOM 1898 N LEU A 119 -10.959 15.382 2.426 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.820 16.268 2.644 1.00 0.00 C ATOM 1900 C LEU A 119 -8.583 15.755 1.914 1.00 0.00 C ATOM 1901 O LEU A 119 -7.734 16.538 1.487 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.527 16.396 4.140 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.516 17.237 4.948 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -10.285 17.047 6.439 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.398 18.707 4.572 1.00 0.00 C ATOM 0 H LEU A 119 -11.192 14.791 3.224 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.074 17.250 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.495 15.395 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.533 16.826 4.260 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.526 16.902 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.998 17.653 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.421 15.997 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.270 17.355 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.109 19.290 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.386 19.055 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.614 18.830 3.511 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.490 14.438 1.774 1.00 0.00 N ATOM 1918 CA CYS A 120 -7.357 13.820 1.094 1.00 0.00 C ATOM 1919 C CYS A 120 -7.411 14.088 -0.406 1.00 0.00 C ATOM 1920 O CYS A 120 -6.521 14.730 -0.964 1.00 0.00 O ATOM 1921 CB CYS A 120 -7.339 12.313 1.354 1.00 0.00 C ATOM 1922 SG CYS A 120 -6.704 11.852 2.983 1.00 0.00 S ATOM 0 H CYS A 120 -9.185 13.777 2.122 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.443 14.261 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -8.352 11.925 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -6.731 11.830 0.589 1.00 0.00 H new ATOM 0 HG CYS A 120 -7.107 10.653 3.282 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.460 13.592 -1.054 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.628 13.776 -2.491 1.00 0.00 C ATOM 1930 C GLU A 121 -8.571 15.256 -2.859 1.00 0.00 C ATOM 1931 O GLU A 121 -8.298 15.610 -4.005 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.957 13.175 -2.953 1.00 0.00 C ATOM 1933 CG GLU A 121 -11.166 13.740 -2.227 1.00 0.00 C ATOM 1934 CD GLU A 121 -12.450 13.573 -3.015 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -12.501 14.038 -4.173 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -13.405 12.976 -2.474 1.00 0.00 O ATOM 0 H GLU A 121 -9.206 13.060 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.810 13.261 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.072 13.349 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.928 12.095 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.270 13.245 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.002 14.799 -2.026 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.832 16.115 -1.878 1.00 0.00 N ATOM 1944 CA GLU A 122 -8.813 17.556 -2.100 1.00 0.00 C ATOM 1945 C GLU A 122 -7.438 18.014 -2.577 1.00 0.00 C ATOM 1946 O GLU A 122 -7.318 18.698 -3.594 1.00 0.00 O ATOM 1947 CB GLU A 122 -9.192 18.297 -0.816 1.00 0.00 C ATOM 1948 CG GLU A 122 -9.709 19.705 -1.056 1.00 0.00 C ATOM 1949 CD GLU A 122 -11.122 19.722 -1.608 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -11.457 18.823 -2.407 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -11.891 20.634 -1.240 1.00 0.00 O ATOM 0 H GLU A 122 -9.059 15.838 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.544 17.789 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.954 17.724 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.320 18.345 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.682 20.262 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.045 20.218 -1.752 1.00 0.00 H new ATOM 1958 N ILE A 123 -6.403 17.633 -1.836 1.00 0.00 N ATOM 1959 CA ILE A 123 -5.037 18.004 -2.183 1.00 0.00 C ATOM 1960 C ILE A 123 -4.656 17.472 -3.560 1.00 0.00 C ATOM 1961 O ILE A 123 -3.967 18.143 -4.329 1.00 0.00 O ATOM 1962 CB ILE A 123 -4.029 17.476 -1.145 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -4.318 18.079 0.231 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -2.606 17.793 -1.579 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -3.926 17.178 1.381 1.00 0.00 C ATOM 0 H ILE A 123 -6.485 17.067 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.999 19.093 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.135 16.393 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.784 19.025 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.382 18.305 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.906 17.413 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.405 17.321 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.486 18.872 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.160 17.670 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.479 16.241 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.857 16.973 1.334 1.00 0.00 H new ATOM 1977 N LYS A 124 -5.111 16.262 -3.868 1.00 0.00 N ATOM 1978 CA LYS A 124 -4.822 15.639 -5.154 1.00 0.00 C ATOM 1979 C LYS A 124 -4.837 16.673 -6.275 1.00 0.00 C ATOM 1980 O LYS A 124 -3.914 16.736 -7.086 1.00 0.00 O ATOM 1981 CB LYS A 124 -5.840 14.535 -5.450 1.00 0.00 C ATOM 1982 CG LYS A 124 -5.339 13.494 -6.436 1.00 0.00 C ATOM 1983 CD LYS A 124 -6.146 12.210 -6.348 1.00 0.00 C ATOM 1984 CE LYS A 124 -5.872 11.298 -7.535 1.00 0.00 C ATOM 1985 NZ LYS A 124 -4.482 10.764 -7.515 1.00 0.00 N ATOM 0 H LYS A 124 -5.682 15.693 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.825 15.201 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -6.108 14.040 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -6.750 14.988 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.397 13.893 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.289 13.279 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -5.902 11.688 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.209 12.449 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.580 10.469 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.036 11.848 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.335 10.148 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -3.806 11.554 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -4.333 10.217 -6.643 1.00 0.00 H new