USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 789 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 73 THR OG1 : rot 100:sc= 0.0417 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.806!) USER MOD Set 2.1: A 29 TYR OH : rot 87:sc= 0.189 USER MOD Set 2.2: A 42 GLN : amide:sc= 0.181 X(o=0.37,f=0.0011) USER MOD Single : A 13 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.55) USER MOD Single : A 17 GLN : amide:sc= -0.0155 K(o=-0.015,f=-3.8!) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= 2.19 (180deg=-0.734) USER MOD Single : A 35 ASN : amide:sc= -0.931 X(o=-0.93,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -158:sc= -0.105 (180deg=-0.646) USER MOD Single : A 40 THR OG1 : rot 53:sc= -1.31! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 137:sc= 0.963 (180deg=-0.574) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.468 F(o=-3.4!,f=-0.47) USER MOD Single : A 66 GLN :FLIP amide:sc=-0.00514 F(o=-1.4!,f=-0.0051) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -173:sc= -0.46 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 0.463 (180deg=-1.31!) USER MOD Single : A 111 GLN : amide:sc=-0.00203 K(o=-0.002,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 10.439 -3.247 5.034 1.00 3.85 N ATOM 109 CA ARG A 9 9.894 -3.070 6.393 1.00 3.14 C ATOM 110 C ARG A 9 10.164 -1.661 6.911 1.00 2.98 C ATOM 111 O ARG A 9 10.097 -1.401 8.113 1.00 3.23 O ATOM 112 CB ARG A 9 10.512 -4.088 7.362 1.00 2.97 C ATOM 113 CG ARG A 9 10.445 -5.527 6.888 1.00 3.11 C ATOM 114 CD ARG A 9 11.517 -6.365 7.561 1.00 3.35 C ATOM 115 NE ARG A 9 11.358 -6.407 9.011 1.00 3.78 N ATOM 116 CZ ARG A 9 10.470 -7.174 9.639 1.00 4.27 C ATOM 117 NH1 ARG A 9 9.936 -8.205 9.001 1.00 4.46 N ATOM 118 NH2 ARG A 9 10.386 -7.123 10.955 1.00 4.95 N ATOM 0 HA ARG A 9 8.817 -3.230 6.337 1.00 3.14 H new ATOM 0 HB2 ARG A 9 11.556 -3.823 7.531 1.00 2.97 H new ATOM 0 HB3 ARG A 9 10.004 -4.011 8.323 1.00 2.97 H new ATOM 0 HG2 ARG A 9 9.461 -5.942 7.108 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.573 -5.565 5.806 1.00 3.11 H new ATOM 0 HD2 ARG A 9 11.484 -7.380 7.165 1.00 3.35 H new ATOM 0 HD3 ARG A 9 12.499 -5.959 7.317 1.00 3.35 H new ATOM 0 HE ARG A 9 11.964 -5.813 9.577 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.206 -8.404 8.038 1.00 4.46 H new ATOM 0 HH12 ARG A 9 9.254 -8.799 9.473 1.00 4.46 H new ATOM 0 HH21 ARG A 9 10.998 -6.500 11.481 1.00 4.95 H new ATOM 0 HH22 ARG A 9 9.709 -7.707 11.446 1.00 4.95 H new ATOM 132 N ILE A 10 10.532 -0.778 5.999 1.00 2.78 N ATOM 133 CA ILE A 10 10.891 0.588 6.342 1.00 2.70 C ATOM 134 C ILE A 10 9.671 1.452 6.684 1.00 2.20 C ATOM 135 O ILE A 10 9.798 2.429 7.429 1.00 2.49 O ATOM 136 CB ILE A 10 11.715 1.237 5.203 1.00 2.80 C ATOM 137 CG1 ILE A 10 12.358 2.539 5.678 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.846 1.484 3.978 1.00 2.55 C ATOM 139 CD1 ILE A 10 13.365 3.111 4.704 1.00 3.25 C ATOM 0 H ILE A 10 10.590 -0.986 5.002 1.00 2.78 H new ATOM 0 HA ILE A 10 11.504 0.537 7.242 1.00 2.70 H new ATOM 0 HB ILE A 10 12.509 0.545 4.922 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.576 3.277 5.853 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.850 2.363 6.634 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.447 1.940 3.192 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.441 0.537 3.622 1.00 2.55 H new ATOM 0 HG23 ILE A 10 10.026 2.152 4.242 1.00 2.55 H new ATOM 0 HD11 ILE A 10 13.779 4.034 5.109 1.00 3.25 H new ATOM 0 HD12 ILE A 10 14.168 2.391 4.547 1.00 3.25 H new ATOM 0 HD13 ILE A 10 12.874 3.320 3.754 1.00 3.25 H new ATOM 151 N ILE A 11 8.502 1.100 6.164 1.00 1.98 N ATOM 152 CA ILE A 11 7.298 1.871 6.457 1.00 1.56 C ATOM 153 C ILE A 11 6.238 1.012 7.128 1.00 1.31 C ATOM 154 O ILE A 11 6.158 0.951 8.352 1.00 1.71 O ATOM 155 CB ILE A 11 6.684 2.527 5.194 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.722 3.395 4.484 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.458 3.366 5.565 1.00 1.05 C ATOM 158 CD1 ILE A 11 7.195 4.078 3.243 1.00 2.05 C ATOM 0 H ILE A 11 8.361 0.300 5.547 1.00 1.98 H new ATOM 0 HA ILE A 11 7.615 2.663 7.136 1.00 1.56 H new ATOM 0 HB ILE A 11 6.369 1.734 4.516 1.00 1.37 H new ATOM 0 HG12 ILE A 11 8.086 4.152 5.178 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.576 2.775 4.212 1.00 1.94 H new ATOM 0 HG21 ILE A 11 5.041 3.818 4.665 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.708 2.727 6.031 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.751 4.150 6.263 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.987 4.676 2.793 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.858 3.326 2.529 1.00 2.05 H new ATOM 0 HD13 ILE A 11 6.359 4.725 3.511 1.00 2.05 H new ATOM 170 N ARG A 12 5.401 0.369 6.325 1.00 0.96 N ATOM 171 CA ARG A 12 4.320 -0.444 6.857 1.00 1.02 C ATOM 172 C ARG A 12 4.004 -1.603 5.916 1.00 0.77 C ATOM 173 O ARG A 12 4.247 -1.507 4.712 1.00 0.91 O ATOM 174 CB ARG A 12 3.087 0.448 7.021 1.00 1.53 C ATOM 175 CG ARG A 12 2.153 0.049 8.146 1.00 2.10 C ATOM 176 CD ARG A 12 2.799 0.248 9.505 1.00 2.67 C ATOM 177 NE ARG A 12 1.823 0.674 10.509 1.00 3.29 N ATOM 178 CZ ARG A 12 0.795 -0.067 10.925 1.00 3.98 C ATOM 179 NH1 ARG A 12 0.838 -1.386 10.799 1.00 4.30 N ATOM 180 NH2 ARG A 12 -0.101 0.466 11.742 1.00 4.72 N ATOM 0 H ARG A 12 5.451 0.395 5.307 1.00 0.96 H new ATOM 0 HA ARG A 12 4.615 -0.864 7.818 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.418 1.473 7.190 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.527 0.444 6.086 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.239 0.639 8.087 1.00 2.10 H new ATOM 0 HG3 ARG A 12 1.866 -0.996 8.028 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.268 -0.682 9.825 1.00 2.67 H new ATOM 0 HD3 ARG A 12 3.590 0.994 9.427 1.00 2.67 H new ATOM 0 HE ARG A 12 1.937 1.601 10.919 1.00 3.29 H new ATOM 0 HH11 ARG A 12 1.656 -1.832 10.385 1.00 4.30 H new ATOM 0 HH12 ARG A 12 0.053 -1.955 11.117 1.00 4.30 H new ATOM 0 HH21 ARG A 12 -0.001 1.434 12.047 1.00 4.72 H new ATOM 0 HH22 ARG A 12 -0.891 -0.092 12.066 1.00 4.72 H new ATOM 194 N HIS A 13 3.459 -2.687 6.459 1.00 0.70 N ATOM 195 CA HIS A 13 3.115 -3.846 5.649 1.00 0.68 C ATOM 196 C HIS A 13 1.979 -4.653 6.298 1.00 0.74 C ATOM 197 O HIS A 13 2.182 -5.433 7.232 1.00 1.04 O ATOM 198 CB HIS A 13 4.360 -4.713 5.379 1.00 0.93 C ATOM 199 CG HIS A 13 4.864 -5.519 6.539 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.331 -4.969 7.712 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.960 -6.855 6.690 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.692 -5.935 8.534 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.475 -7.091 7.938 1.00 1.80 N ATOM 0 H HIS A 13 3.248 -2.785 7.452 1.00 0.70 H new ATOM 0 HA HIS A 13 2.748 -3.496 4.684 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.133 -5.395 4.560 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.165 -4.062 5.038 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.682 -7.602 5.961 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.097 -5.802 9.526 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.660 -8.010 8.340 1.00 1.80 H new ATOM 212 N ASP A 14 0.777 -4.455 5.790 1.00 0.60 N ATOM 213 CA ASP A 14 -0.408 -5.146 6.293 1.00 0.69 C ATOM 214 C ASP A 14 -1.252 -5.636 5.128 1.00 0.61 C ATOM 215 O ASP A 14 -1.100 -5.159 4.008 1.00 0.86 O ATOM 216 CB ASP A 14 -1.241 -4.233 7.209 1.00 0.83 C ATOM 217 CG ASP A 14 -0.658 -4.115 8.606 1.00 1.31 C ATOM 218 OD1 ASP A 14 -0.565 -5.148 9.305 1.00 2.03 O ATOM 219 OD2 ASP A 14 -0.277 -2.996 9.013 1.00 1.78 O ATOM 0 H ASP A 14 0.589 -3.814 5.019 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.080 -6.000 6.885 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.308 -3.241 6.763 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.257 -4.622 7.275 1.00 0.83 H new ATOM 224 N ALA A 15 -2.129 -6.589 5.385 1.00 0.75 N ATOM 225 CA ALA A 15 -2.978 -7.139 4.337 1.00 0.71 C ATOM 226 C ALA A 15 -4.384 -6.564 4.408 1.00 0.68 C ATOM 227 O ALA A 15 -5.080 -6.722 5.415 1.00 0.88 O ATOM 228 CB ALA A 15 -3.017 -8.654 4.434 1.00 0.84 C ATOM 0 H ALA A 15 -2.274 -6.999 6.307 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.552 -6.858 3.374 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.655 -9.053 3.645 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.009 -9.052 4.321 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.416 -8.946 5.405 1.00 0.84 H new ATOM 234 N PHE A 16 -4.799 -5.910 3.332 1.00 0.60 N ATOM 235 CA PHE A 16 -6.124 -5.317 3.254 1.00 0.67 C ATOM 236 C PHE A 16 -6.983 -6.072 2.250 1.00 0.68 C ATOM 237 O PHE A 16 -6.653 -6.139 1.063 1.00 1.00 O ATOM 238 CB PHE A 16 -6.049 -3.842 2.835 1.00 0.77 C ATOM 239 CG PHE A 16 -5.579 -2.899 3.912 1.00 1.09 C ATOM 240 CD1 PHE A 16 -4.291 -2.977 4.418 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.430 -1.923 4.409 1.00 1.74 C ATOM 242 CE1 PHE A 16 -3.862 -2.100 5.395 1.00 2.36 C ATOM 243 CE2 PHE A 16 -6.006 -1.046 5.387 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.721 -1.135 5.881 1.00 2.35 C ATOM 0 H PHE A 16 -4.231 -5.777 2.495 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.571 -5.381 4.246 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.379 -3.756 1.980 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.036 -3.524 2.500 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.615 -3.732 4.044 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.437 -1.848 4.026 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -2.855 -2.169 5.779 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -6.679 -0.291 5.765 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.388 -0.451 6.647 1.00 2.35 H new ATOM 254 N GLN A 17 -8.084 -6.629 2.722 1.00 0.59 N ATOM 255 CA GLN A 17 -8.982 -7.356 1.851 1.00 0.60 C ATOM 256 C GLN A 17 -9.977 -6.388 1.246 1.00 0.64 C ATOM 257 O GLN A 17 -10.898 -5.913 1.914 1.00 0.95 O ATOM 258 CB GLN A 17 -9.694 -8.482 2.607 1.00 0.74 C ATOM 259 CG GLN A 17 -10.656 -9.289 1.743 1.00 1.07 C ATOM 260 CD GLN A 17 -11.251 -10.479 2.475 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.898 -10.330 3.510 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.051 -11.670 1.935 1.00 1.63 N ATOM 0 H GLN A 17 -8.374 -6.591 3.699 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.406 -7.823 1.052 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.946 -9.154 3.027 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.244 -8.054 3.445 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.462 -8.639 1.401 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.131 -9.641 0.855 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.509 -11.756 1.075 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.439 -12.503 2.378 1.00 1.63 H new ATOM 271 N VAL A 18 -9.764 -6.066 -0.016 1.00 0.51 N ATOM 272 CA VAL A 18 -10.617 -5.124 -0.708 1.00 0.59 C ATOM 273 C VAL A 18 -10.845 -5.526 -2.148 1.00 0.60 C ATOM 274 O VAL A 18 -10.516 -6.633 -2.564 1.00 1.04 O ATOM 275 CB VAL A 18 -10.053 -3.692 -0.677 1.00 0.83 C ATOM 276 CG1 VAL A 18 -11.031 -2.767 0.016 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.691 -3.645 -0.001 1.00 0.84 C ATOM 0 H VAL A 18 -9.005 -6.445 -0.582 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.566 -5.140 -0.173 1.00 0.59 H new ATOM 0 HB VAL A 18 -9.917 -3.356 -1.705 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.625 -1.756 0.034 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -11.978 -2.768 -0.524 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -11.195 -3.110 1.037 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.322 -2.619 0.003 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.781 -4.003 1.025 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -7.992 -4.279 -0.546 1.00 0.84 H new ATOM 287 N TRP A 19 -11.467 -4.624 -2.884 1.00 0.63 N ATOM 288 CA TRP A 19 -11.830 -4.852 -4.266 1.00 0.65 C ATOM 289 C TRP A 19 -11.177 -3.838 -5.201 1.00 0.68 C ATOM 290 O TRP A 19 -11.530 -2.657 -5.145 1.00 1.04 O ATOM 291 CB TRP A 19 -13.349 -4.671 -4.377 1.00 0.72 C ATOM 292 CG TRP A 19 -14.123 -5.214 -3.205 1.00 0.75 C ATOM 293 CD1 TRP A 19 -14.745 -6.425 -3.150 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.344 -4.587 -1.914 1.00 0.78 C ATOM 295 NE1 TRP A 19 -15.340 -6.600 -1.930 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.110 -5.499 -1.153 1.00 0.87 C ATOM 297 CE3 TRP A 19 -13.980 -3.353 -1.313 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -15.512 -5.236 0.153 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.389 -3.110 -0.014 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.142 -4.045 0.704 1.00 0.96 C ATOM 0 H TRP A 19 -11.736 -3.704 -2.534 1.00 0.63 H new ATOM 0 HA TRP A 19 -11.499 -5.850 -4.553 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.570 -3.609 -4.483 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.697 -5.162 -5.286 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -14.766 -7.145 -3.955 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -15.872 -7.423 -1.645 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.399 -2.623 -1.856 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -16.097 -5.951 0.711 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.120 -2.176 0.457 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -15.437 -3.818 1.718 1.00 0.96 H new ATOM 311 N GLU A 20 -10.242 -4.247 -6.064 1.00 0.69 N ATOM 312 CA GLU A 20 -9.615 -3.311 -6.987 1.00 0.77 C ATOM 313 C GLU A 20 -10.520 -3.169 -8.211 1.00 1.18 C ATOM 314 O GLU A 20 -11.463 -3.934 -8.330 1.00 1.81 O ATOM 315 CB GLU A 20 -8.238 -3.847 -7.414 1.00 1.04 C ATOM 316 CG GLU A 20 -7.362 -2.830 -8.132 1.00 1.26 C ATOM 317 CD GLU A 20 -6.494 -3.446 -9.209 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.048 -4.022 -10.169 1.00 2.42 O ATOM 319 OE2 GLU A 20 -5.255 -3.339 -9.116 1.00 2.62 O ATOM 0 H GLU A 20 -9.909 -5.208 -6.139 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.478 -2.342 -6.507 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.710 -4.203 -6.529 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -8.383 -4.708 -8.066 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.997 -2.065 -8.579 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -6.725 -2.330 -7.403 1.00 1.26 H new ATOM 326 N GLY A 21 -10.187 -2.228 -9.107 1.00 1.49 N ATOM 327 CA GLY A 21 -10.921 -1.961 -10.360 1.00 1.95 C ATOM 328 C GLY A 21 -12.285 -2.622 -10.538 1.00 2.05 C ATOM 329 O GLY A 21 -12.524 -3.268 -11.563 1.00 2.48 O ATOM 0 H GLY A 21 -9.381 -1.615 -8.981 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -11.057 -0.883 -10.446 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -10.288 -2.269 -11.192 1.00 1.95 H new ATOM 333 N ASP A 22 -13.176 -2.452 -9.560 1.00 2.34 N ATOM 334 CA ASP A 22 -14.534 -3.019 -9.604 1.00 2.75 C ATOM 335 C ASP A 22 -14.541 -4.546 -9.767 1.00 2.43 C ATOM 336 O ASP A 22 -15.587 -5.141 -10.034 1.00 2.85 O ATOM 337 CB ASP A 22 -15.349 -2.375 -10.732 1.00 3.62 C ATOM 338 CG ASP A 22 -15.604 -0.902 -10.501 1.00 4.19 C ATOM 339 OD1 ASP A 22 -16.270 -0.557 -9.503 1.00 4.65 O ATOM 340 OD2 ASP A 22 -15.146 -0.077 -11.322 1.00 4.60 O ATOM 0 H ASP A 22 -12.981 -1.918 -8.713 1.00 2.34 H new ATOM 0 HA ASP A 22 -14.992 -2.794 -8.641 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -14.820 -2.504 -11.676 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.303 -2.894 -10.827 1.00 3.62 H new ATOM 345 N GLU A 23 -13.386 -5.166 -9.609 1.00 2.07 N ATOM 346 CA GLU A 23 -13.239 -6.607 -9.741 1.00 2.37 C ATOM 347 C GLU A 23 -13.398 -7.272 -8.376 1.00 1.70 C ATOM 348 O GLU A 23 -13.080 -6.653 -7.358 1.00 1.86 O ATOM 349 CB GLU A 23 -11.851 -6.915 -10.338 1.00 3.34 C ATOM 350 CG GLU A 23 -11.564 -8.393 -10.548 1.00 4.22 C ATOM 351 CD GLU A 23 -10.244 -8.654 -11.238 1.00 5.12 C ATOM 352 OE1 GLU A 23 -9.189 -8.237 -10.706 1.00 5.78 O ATOM 353 OE2 GLU A 23 -10.249 -9.283 -12.318 1.00 5.52 O ATOM 0 H GLU A 23 -12.517 -4.682 -9.384 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.009 -7.001 -10.404 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -11.760 -6.402 -11.295 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -11.087 -6.500 -9.680 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -11.567 -8.897 -9.582 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -12.368 -8.832 -11.139 1.00 4.22 H new ATOM 360 N PRO A 24 -13.929 -8.522 -8.335 1.00 1.42 N ATOM 361 CA PRO A 24 -14.153 -9.282 -7.099 1.00 1.17 C ATOM 362 C PRO A 24 -13.023 -9.122 -6.073 1.00 0.97 C ATOM 363 O PRO A 24 -11.891 -8.788 -6.425 1.00 1.08 O ATOM 364 CB PRO A 24 -14.226 -10.738 -7.569 1.00 1.65 C ATOM 365 CG PRO A 24 -14.416 -10.709 -9.054 1.00 2.09 C ATOM 366 CD PRO A 24 -14.395 -9.274 -9.507 1.00 2.00 C ATOM 0 HA PRO A 24 -15.049 -8.932 -6.587 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.314 -11.274 -7.307 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.052 -11.259 -7.085 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -13.626 -11.275 -9.549 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.362 -11.178 -9.325 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.727 -9.137 -10.357 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.385 -8.943 -9.822 1.00 2.00 H new ATOM 374 N PRO A 25 -13.333 -9.338 -4.783 1.00 0.88 N ATOM 375 CA PRO A 25 -12.380 -9.187 -3.679 1.00 0.77 C ATOM 376 C PRO A 25 -11.006 -9.827 -3.895 1.00 0.74 C ATOM 377 O PRO A 25 -10.847 -10.847 -4.564 1.00 0.92 O ATOM 378 CB PRO A 25 -13.085 -9.831 -2.477 1.00 0.92 C ATOM 379 CG PRO A 25 -14.326 -10.461 -3.019 1.00 1.08 C ATOM 380 CD PRO A 25 -14.656 -9.722 -4.283 1.00 1.09 C ATOM 0 HA PRO A 25 -12.142 -8.131 -3.554 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -12.445 -10.574 -2.001 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.325 -9.085 -1.719 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.169 -11.521 -3.218 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.144 -10.389 -2.302 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.191 -10.353 -4.993 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.285 -8.853 -4.092 1.00 1.09 H new ATOM 388 N LYS A 26 -10.041 -9.191 -3.261 1.00 0.65 N ATOM 389 CA LYS A 26 -8.649 -9.615 -3.279 1.00 0.73 C ATOM 390 C LYS A 26 -8.085 -9.599 -1.874 1.00 0.66 C ATOM 391 O LYS A 26 -8.596 -8.893 -1.001 1.00 0.88 O ATOM 392 CB LYS A 26 -7.776 -8.712 -4.161 1.00 0.95 C ATOM 393 CG LYS A 26 -7.714 -9.110 -5.630 1.00 1.34 C ATOM 394 CD LYS A 26 -8.908 -8.608 -6.418 1.00 1.42 C ATOM 395 CE LYS A 26 -8.497 -7.607 -7.492 1.00 1.61 C ATOM 396 NZ LYS A 26 -7.546 -8.187 -8.477 1.00 2.20 N ATOM 0 H LYS A 26 -10.202 -8.349 -2.708 1.00 0.65 H new ATOM 0 HA LYS A 26 -8.632 -10.623 -3.693 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.151 -7.691 -4.093 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -6.763 -8.707 -3.759 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -6.799 -8.715 -6.072 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -7.662 -10.196 -5.707 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.417 -9.452 -6.883 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.621 -8.140 -5.739 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.386 -7.254 -8.015 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.040 -6.738 -7.018 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -6.625 -7.711 -8.392 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -7.429 -9.203 -8.290 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.918 -8.053 -9.439 1.00 2.20 H new ATOM 410 N LEU A 27 -7.004 -10.332 -1.676 1.00 0.67 N ATOM 411 CA LEU A 27 -6.326 -10.375 -0.398 1.00 0.65 C ATOM 412 C LEU A 27 -4.906 -9.891 -0.637 1.00 0.67 C ATOM 413 O LEU A 27 -3.964 -10.676 -0.688 1.00 1.02 O ATOM 414 CB LEU A 27 -6.320 -11.804 0.155 1.00 0.76 C ATOM 415 CG LEU A 27 -6.312 -11.935 1.687 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.232 -11.071 2.318 1.00 1.31 C ATOM 417 CD2 LEU A 27 -7.664 -11.560 2.263 1.00 1.23 C ATOM 0 H LEU A 27 -6.574 -10.912 -2.396 1.00 0.67 H new ATOM 0 HA LEU A 27 -6.832 -9.746 0.334 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.197 -12.325 -0.230 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.445 -12.321 -0.238 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.096 -12.978 1.920 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.257 -11.190 3.401 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -4.256 -11.377 1.942 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -5.408 -10.026 2.064 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -7.637 -11.659 3.348 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -7.899 -10.529 1.999 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -8.429 -12.222 1.857 1.00 1.23 H new ATOM 429 N ARG A 28 -4.767 -8.597 -0.836 1.00 0.57 N ATOM 430 CA ARG A 28 -3.470 -8.021 -1.130 1.00 0.59 C ATOM 431 C ARG A 28 -2.721 -7.574 0.109 1.00 0.55 C ATOM 432 O ARG A 28 -3.233 -6.813 0.935 1.00 0.64 O ATOM 433 CB ARG A 28 -3.593 -6.844 -2.104 1.00 0.71 C ATOM 434 CG ARG A 28 -4.611 -5.784 -1.708 1.00 1.41 C ATOM 435 CD ARG A 28 -5.911 -5.952 -2.473 1.00 1.72 C ATOM 436 NE ARG A 28 -6.688 -4.716 -2.523 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.739 -4.552 -3.316 1.00 2.42 C ATOM 438 NH1 ARG A 28 -8.003 -5.459 -4.242 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.384 -3.398 -3.335 1.00 3.18 N ATOM 0 H ARG A 28 -5.533 -7.925 -0.800 1.00 0.57 H new ATOM 0 HA ARG A 28 -2.892 -8.821 -1.593 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -2.617 -6.370 -2.202 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.859 -7.232 -3.087 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.806 -5.847 -0.637 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.200 -4.793 -1.899 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.692 -6.283 -3.488 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.507 -6.735 -2.004 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.409 -3.942 -1.920 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.401 -6.276 -4.342 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.809 -5.341 -4.856 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.074 -2.631 -2.739 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -9.192 -3.275 -3.946 1.00 3.18 H new ATOM 453 N TYR A 29 -1.478 -8.019 0.197 1.00 0.55 N ATOM 454 CA TYR A 29 -0.603 -7.639 1.287 1.00 0.59 C ATOM 455 C TYR A 29 0.060 -6.330 0.883 1.00 0.55 C ATOM 456 O TYR A 29 1.021 -6.323 0.111 1.00 0.70 O ATOM 457 CB TYR A 29 0.466 -8.710 1.558 1.00 0.71 C ATOM 458 CG TYR A 29 -0.055 -10.090 1.923 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.412 -10.388 1.924 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.833 -11.100 2.266 1.00 1.38 C ATOM 461 CE1 TYR A 29 -1.865 -11.651 2.256 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.389 -12.363 2.599 1.00 1.55 C ATOM 463 CZ TYR A 29 -0.961 -12.633 2.592 1.00 1.26 C ATOM 464 OH TYR A 29 -1.409 -13.890 2.925 1.00 1.58 O ATOM 0 H TYR A 29 -1.052 -8.650 -0.482 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.179 -7.531 2.206 1.00 0.59 H new ATOM 0 HB2 TYR A 29 1.093 -8.802 0.671 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.107 -8.359 2.367 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.125 -9.620 1.661 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.893 -10.893 2.272 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.923 -11.866 2.252 1.00 1.63 H new ATOM 0 HE2 TYR A 29 1.096 -13.135 2.864 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.516 -14.426 2.111 1.00 1.58 H new ATOM 474 N VAL A 30 -0.493 -5.230 1.365 1.00 0.48 N ATOM 475 CA VAL A 30 0.002 -3.905 1.033 1.00 0.48 C ATOM 476 C VAL A 30 1.316 -3.610 1.751 1.00 0.49 C ATOM 477 O VAL A 30 1.366 -3.518 2.979 1.00 0.59 O ATOM 478 CB VAL A 30 -1.046 -2.820 1.371 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.520 -1.438 1.033 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.356 -3.086 0.635 1.00 0.65 C ATOM 0 H VAL A 30 -1.295 -5.230 1.995 1.00 0.48 H new ATOM 0 HA VAL A 30 0.187 -3.885 -0.041 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.239 -2.861 2.443 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.275 -0.691 1.279 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.385 -1.243 1.608 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.292 -1.386 -0.032 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.079 -2.310 0.887 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.177 -3.079 -0.440 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.749 -4.059 0.931 1.00 0.65 H new ATOM 490 N PHE A 31 2.375 -3.475 0.968 1.00 0.49 N ATOM 491 CA PHE A 31 3.702 -3.196 1.493 1.00 0.54 C ATOM 492 C PHE A 31 4.159 -1.809 1.061 1.00 0.52 C ATOM 493 O PHE A 31 4.313 -1.551 -0.134 1.00 0.56 O ATOM 494 CB PHE A 31 4.713 -4.217 0.963 1.00 0.61 C ATOM 495 CG PHE A 31 4.367 -5.661 1.200 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.232 -6.164 2.482 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.192 -6.520 0.128 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.933 -7.497 2.692 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.888 -7.852 0.329 1.00 1.49 C ATOM 500 CZ PHE A 31 3.758 -8.341 1.613 1.00 0.85 C ATOM 0 H PHE A 31 2.339 -3.556 -0.048 1.00 0.49 H new ATOM 0 HA PHE A 31 3.650 -3.253 2.580 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.830 -4.062 -0.110 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.681 -4.014 1.422 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.362 -5.507 3.329 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.295 -6.143 -0.879 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.836 -7.878 3.698 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.752 -8.510 -0.517 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.520 -9.382 1.774 1.00 0.85 H new ATOM 510 N LEU A 32 4.401 -0.922 2.009 1.00 0.57 N ATOM 511 CA LEU A 32 4.868 0.410 1.661 1.00 0.59 C ATOM 512 C LEU A 32 6.370 0.485 1.861 1.00 0.67 C ATOM 513 O LEU A 32 6.860 0.305 2.980 1.00 0.84 O ATOM 514 CB LEU A 32 4.217 1.507 2.506 1.00 0.74 C ATOM 515 CG LEU A 32 2.806 1.238 3.018 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.377 2.340 3.976 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.832 1.146 1.862 1.00 1.43 C ATOM 0 H LEU A 32 4.285 -1.093 3.008 1.00 0.57 H new ATOM 0 HA LEU A 32 4.594 0.579 0.620 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.859 1.699 3.366 1.00 0.74 H new ATOM 0 HB3 LEU A 32 4.194 2.422 1.915 1.00 0.74 H new ATOM 0 HG LEU A 32 2.806 0.287 3.550 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.368 2.137 4.335 1.00 1.10 H new ATOM 0 HD12 LEU A 32 3.063 2.374 4.822 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.392 3.299 3.458 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.830 0.954 2.245 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.835 2.085 1.308 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.129 0.333 1.200 1.00 1.43 H new ATOM 529 N PHE A 33 7.102 0.753 0.797 1.00 0.75 N ATOM 530 CA PHE A 33 8.548 0.853 0.889 1.00 0.96 C ATOM 531 C PHE A 33 9.039 2.136 0.238 1.00 1.08 C ATOM 532 O PHE A 33 8.633 2.460 -0.879 1.00 1.56 O ATOM 533 CB PHE A 33 9.231 -0.339 0.211 1.00 1.17 C ATOM 534 CG PHE A 33 8.810 -1.683 0.730 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.846 -1.970 2.085 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.391 -2.667 -0.147 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.469 -3.215 2.551 1.00 2.06 C ATOM 538 CE2 PHE A 33 8.013 -3.910 0.313 1.00 2.28 C ATOM 539 CZ PHE A 33 8.052 -4.186 1.665 1.00 2.01 C ATOM 0 H PHE A 33 6.723 0.905 -0.138 1.00 0.75 H new ATOM 0 HA PHE A 33 8.805 0.856 1.948 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.026 -0.297 -0.859 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.310 -0.239 0.333 1.00 1.17 H new ATOM 0 HD1 PHE A 33 9.172 -1.214 2.784 1.00 1.79 H new ATOM 0 HD2 PHE A 33 8.360 -2.459 -1.206 1.00 2.01 H new ATOM 0 HE1 PHE A 33 8.501 -3.428 3.609 1.00 2.06 H new ATOM 0 HE2 PHE A 33 7.686 -4.668 -0.384 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.757 -5.159 2.028 1.00 2.01 H new ATOM 549 N ARG A 34 9.927 2.843 0.935 1.00 1.04 N ATOM 550 CA ARG A 34 10.515 4.090 0.442 1.00 1.17 C ATOM 551 C ARG A 34 9.452 5.158 0.178 1.00 1.03 C ATOM 552 O ARG A 34 9.152 5.965 1.057 1.00 1.87 O ATOM 553 CB ARG A 34 11.352 3.824 -0.818 1.00 1.83 C ATOM 554 CG ARG A 34 12.223 4.995 -1.242 1.00 2.51 C ATOM 555 CD ARG A 34 13.204 4.582 -2.325 1.00 3.05 C ATOM 556 NE ARG A 34 12.540 4.242 -3.582 1.00 3.66 N ATOM 557 CZ ARG A 34 13.149 3.629 -4.591 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.166 2.818 -4.329 1.00 4.48 N ATOM 559 NH2 ARG A 34 12.511 3.490 -5.744 1.00 5.12 N ATOM 0 H ARG A 34 10.260 2.568 1.859 1.00 1.04 H new ATOM 0 HA ARG A 34 11.170 4.478 1.222 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.988 2.957 -0.642 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.682 3.567 -1.639 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.594 5.807 -1.607 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.769 5.378 -0.379 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.911 5.393 -2.499 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.782 3.725 -1.980 1.00 3.05 H new ATOM 0 HE ARG A 34 11.556 4.489 -3.690 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.468 2.674 -3.366 1.00 4.48 H new ATOM 0 HH12 ARG A 34 14.646 2.339 -5.091 1.00 4.48 H new ATOM 0 HH21 ARG A 34 11.563 3.852 -5.849 1.00 5.12 H new ATOM 0 HH22 ARG A 34 12.968 3.021 -6.526 1.00 5.12 H new ATOM 573 N ASN A 35 8.891 5.174 -1.026 1.00 0.98 N ATOM 574 CA ASN A 35 7.875 6.159 -1.383 1.00 1.38 C ATOM 575 C ASN A 35 6.822 5.528 -2.294 1.00 1.09 C ATOM 576 O ASN A 35 6.061 6.215 -2.971 1.00 1.24 O ATOM 577 CB ASN A 35 8.553 7.370 -2.055 1.00 2.08 C ATOM 578 CG ASN A 35 7.630 8.562 -2.277 1.00 2.84 C ATOM 579 OD1 ASN A 35 6.947 8.665 -3.297 1.00 3.26 O ATOM 580 ND2 ASN A 35 7.627 9.488 -1.336 1.00 3.64 N ATOM 0 H ASN A 35 9.122 4.517 -1.771 1.00 0.98 H new ATOM 0 HA ASN A 35 7.364 6.504 -0.484 1.00 1.38 H new ATOM 0 HB2 ASN A 35 9.395 7.687 -1.440 1.00 2.08 H new ATOM 0 HB3 ASN A 35 8.960 7.057 -3.016 1.00 2.08 H new ATOM 0 HD21 ASN A 35 7.047 10.320 -1.441 1.00 3.64 H new ATOM 0 HD22 ASN A 35 8.205 9.371 -0.504 1.00 3.64 H new ATOM 587 N LYS A 36 6.763 4.206 -2.307 1.00 0.89 N ATOM 588 CA LYS A 36 5.784 3.528 -3.140 1.00 0.69 C ATOM 589 C LYS A 36 5.056 2.430 -2.384 1.00 0.66 C ATOM 590 O LYS A 36 5.597 1.810 -1.466 1.00 0.77 O ATOM 591 CB LYS A 36 6.428 2.948 -4.398 1.00 0.80 C ATOM 592 CG LYS A 36 7.398 1.810 -4.142 1.00 1.05 C ATOM 593 CD LYS A 36 7.610 1.004 -5.408 1.00 1.32 C ATOM 594 CE LYS A 36 8.547 -0.172 -5.177 1.00 1.84 C ATOM 595 NZ LYS A 36 8.779 -0.955 -6.421 1.00 2.23 N ATOM 0 H LYS A 36 7.368 3.592 -1.762 1.00 0.89 H new ATOM 0 HA LYS A 36 5.054 4.282 -3.433 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.641 2.594 -5.064 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.954 3.746 -4.922 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.351 2.207 -3.792 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.012 1.165 -3.353 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.650 0.638 -5.771 1.00 1.32 H new ATOM 0 HD3 LYS A 36 8.020 1.649 -6.185 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.501 0.194 -4.796 1.00 1.84 H new ATOM 0 HE3 LYS A 36 8.127 -0.824 -4.411 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 9.423 -1.746 -6.218 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 7.873 -1.327 -6.771 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 9.204 -0.340 -7.144 1.00 2.23 H new ATOM 609 N ILE A 37 3.815 2.214 -2.783 1.00 0.61 N ATOM 610 CA ILE A 37 2.955 1.213 -2.179 1.00 0.60 C ATOM 611 C ILE A 37 2.820 -0.001 -3.100 1.00 0.54 C ATOM 612 O ILE A 37 2.105 0.049 -4.102 1.00 0.75 O ATOM 613 CB ILE A 37 1.544 1.785 -1.927 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.606 2.977 -0.969 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.616 0.703 -1.389 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.270 3.660 -0.760 1.00 1.01 C ATOM 0 H ILE A 37 3.373 2.733 -3.542 1.00 0.61 H new ATOM 0 HA ILE A 37 3.409 0.918 -1.233 1.00 0.60 H new ATOM 0 HB ILE A 37 1.141 2.137 -2.877 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.985 2.638 -0.005 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.320 3.705 -1.354 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.374 1.125 -1.217 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.544 -0.108 -2.114 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.013 0.317 -0.450 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.392 4.495 -0.070 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.103 4.030 -1.715 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.442 2.947 -0.345 1.00 1.01 H new ATOM 628 N MET A 38 3.479 -1.089 -2.756 1.00 0.51 N ATOM 629 CA MET A 38 3.389 -2.304 -3.553 1.00 0.59 C ATOM 630 C MET A 38 2.595 -3.349 -2.788 1.00 0.60 C ATOM 631 O MET A 38 2.982 -3.773 -1.705 1.00 0.98 O ATOM 632 CB MET A 38 4.776 -2.832 -3.933 1.00 0.75 C ATOM 633 CG MET A 38 5.754 -2.926 -2.774 1.00 1.40 C ATOM 634 SD MET A 38 7.323 -3.663 -3.268 1.00 1.72 S ATOM 635 CE MET A 38 6.803 -5.339 -3.625 1.00 2.53 C ATOM 0 H MET A 38 4.080 -1.161 -1.935 1.00 0.51 H new ATOM 0 HA MET A 38 2.873 -2.074 -4.485 1.00 0.59 H new ATOM 0 HB2 MET A 38 4.665 -3.820 -4.379 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.201 -2.183 -4.699 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.933 -1.930 -2.370 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.311 -3.519 -1.974 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.662 -6.008 -3.562 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.049 -5.648 -2.901 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.382 -5.383 -4.629 1.00 2.53 H new ATOM 645 N PHE A 39 1.461 -3.739 -3.337 1.00 0.61 N ATOM 646 CA PHE A 39 0.604 -4.703 -2.675 1.00 0.71 C ATOM 647 C PHE A 39 0.481 -5.986 -3.475 1.00 0.72 C ATOM 648 O PHE A 39 0.122 -5.979 -4.653 1.00 1.08 O ATOM 649 CB PHE A 39 -0.779 -4.093 -2.393 1.00 1.11 C ATOM 650 CG PHE A 39 -1.478 -3.486 -3.589 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.975 -2.360 -4.229 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.646 -4.052 -4.072 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.622 -1.818 -5.323 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.299 -3.512 -5.166 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.785 -2.396 -5.791 1.00 1.57 C ATOM 0 H PHE A 39 1.113 -3.405 -4.236 1.00 0.61 H new ATOM 0 HA PHE A 39 1.067 -4.960 -1.722 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.420 -4.868 -1.974 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.669 -3.323 -1.629 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.066 -1.902 -3.867 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.053 -4.927 -3.588 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.218 -0.943 -5.811 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.210 -3.964 -5.530 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.292 -1.974 -6.646 1.00 1.57 H new ATOM 665 N THR A 40 0.786 -7.088 -2.819 1.00 0.63 N ATOM 666 CA THR A 40 0.712 -8.385 -3.450 1.00 0.74 C ATOM 667 C THR A 40 -0.726 -8.885 -3.437 1.00 0.84 C ATOM 668 O THR A 40 -1.196 -9.429 -2.434 1.00 1.16 O ATOM 669 CB THR A 40 1.644 -9.366 -2.733 1.00 0.98 C ATOM 670 OG1 THR A 40 1.361 -9.411 -1.346 1.00 1.45 O ATOM 671 CG2 THR A 40 3.109 -9.019 -2.872 1.00 1.35 C ATOM 0 H THR A 40 1.088 -7.108 -1.845 1.00 0.63 H new ATOM 0 HA THR A 40 1.035 -8.304 -4.488 1.00 0.74 H new ATOM 0 HB THR A 40 1.460 -10.327 -3.213 1.00 0.98 H new ATOM 0 HG1 THR A 40 0.407 -9.592 -1.212 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.710 -9.756 -2.339 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.385 -9.020 -3.927 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.290 -8.030 -2.450 1.00 1.35 H new ATOM 679 N GLU A 41 -1.433 -8.671 -4.540 1.00 1.04 N ATOM 680 CA GLU A 41 -2.823 -9.084 -4.641 1.00 1.27 C ATOM 681 C GLU A 41 -2.956 -10.597 -4.697 1.00 1.20 C ATOM 682 O GLU A 41 -3.043 -11.187 -5.776 1.00 1.66 O ATOM 683 CB GLU A 41 -3.515 -8.470 -5.862 1.00 1.89 C ATOM 684 CG GLU A 41 -3.876 -7.001 -5.703 1.00 2.55 C ATOM 685 CD GLU A 41 -5.125 -6.630 -6.483 1.00 3.05 C ATOM 686 OE1 GLU A 41 -5.162 -6.882 -7.703 1.00 3.56 O ATOM 687 OE2 GLU A 41 -6.081 -6.107 -5.871 1.00 3.46 O ATOM 0 H GLU A 41 -1.065 -8.214 -5.375 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.315 -8.718 -3.740 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.863 -8.580 -6.728 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.423 -9.035 -6.073 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.030 -6.779 -4.647 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.042 -6.385 -6.041 1.00 2.55 H new ATOM 694 N GLN A 42 -3.008 -11.211 -3.528 1.00 1.08 N ATOM 695 CA GLN A 42 -3.182 -12.643 -3.428 1.00 1.24 C ATOM 696 C GLN A 42 -4.640 -12.950 -3.728 1.00 1.37 C ATOM 697 O GLN A 42 -5.480 -13.039 -2.827 1.00 1.84 O ATOM 698 CB GLN A 42 -2.787 -13.134 -2.034 1.00 1.58 C ATOM 699 CG GLN A 42 -2.994 -14.619 -1.817 1.00 2.34 C ATOM 700 CD GLN A 42 -2.676 -15.038 -0.398 1.00 2.87 C ATOM 701 OE1 GLN A 42 -1.522 -15.007 0.028 1.00 3.26 O ATOM 702 NE2 GLN A 42 -3.702 -15.409 0.351 1.00 3.46 N ATOM 0 H GLN A 42 -2.931 -10.733 -2.630 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.540 -13.160 -4.141 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.738 -12.896 -1.861 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.365 -12.585 -1.290 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -4.027 -14.878 -2.048 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.363 -15.177 -2.509 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -4.643 -15.420 -0.042 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -3.552 -15.684 1.322 1.00 3.46 H new ATOM 711 N ASP A 43 -4.938 -13.061 -5.008 1.00 1.32 N ATOM 712 CA ASP A 43 -6.293 -13.312 -5.460 1.00 1.60 C ATOM 713 C ASP A 43 -6.506 -14.798 -5.652 1.00 1.62 C ATOM 714 O ASP A 43 -5.840 -15.437 -6.464 1.00 1.97 O ATOM 715 CB ASP A 43 -6.582 -12.552 -6.756 1.00 2.08 C ATOM 716 CG ASP A 43 -8.069 -12.361 -6.986 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.874 -12.959 -6.242 1.00 2.87 O ATOM 718 OD2 ASP A 43 -8.437 -11.606 -7.910 1.00 2.96 O ATOM 0 H ASP A 43 -4.253 -12.980 -5.759 1.00 1.32 H new ATOM 0 HA ASP A 43 -6.987 -12.954 -4.700 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.093 -11.578 -6.722 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.152 -13.095 -7.598 1.00 2.08 H new ATOM 723 N ALA A 44 -7.432 -15.340 -4.877 1.00 1.87 N ATOM 724 CA ALA A 44 -7.748 -16.759 -4.915 1.00 2.28 C ATOM 725 C ALA A 44 -8.643 -17.112 -6.099 1.00 2.75 C ATOM 726 O ALA A 44 -9.525 -17.966 -5.983 1.00 3.39 O ATOM 727 CB ALA A 44 -8.398 -17.177 -3.605 1.00 2.82 C ATOM 0 H ALA A 44 -7.985 -14.809 -4.204 1.00 1.87 H new ATOM 0 HA ALA A 44 -6.816 -17.308 -5.045 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -8.633 -18.241 -3.639 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -7.712 -16.983 -2.780 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -9.315 -16.608 -3.456 1.00 2.82 H new ATOM 861 N TYR A 54 2.486 -8.091 -8.704 1.00 2.10 N ATOM 862 CA TYR A 54 2.384 -7.424 -9.995 1.00 2.00 C ATOM 863 C TYR A 54 1.742 -6.048 -9.830 1.00 1.62 C ATOM 864 O TYR A 54 2.155 -5.072 -10.464 1.00 1.96 O ATOM 865 CB TYR A 54 1.569 -8.283 -10.965 1.00 2.78 C ATOM 866 CG TYR A 54 1.614 -7.798 -12.394 1.00 3.45 C ATOM 867 CD1 TYR A 54 2.818 -7.727 -13.080 1.00 3.89 C ATOM 868 CD2 TYR A 54 0.456 -7.411 -13.056 1.00 4.24 C ATOM 869 CE1 TYR A 54 2.868 -7.286 -14.387 1.00 4.87 C ATOM 870 CE2 TYR A 54 0.497 -6.968 -14.363 1.00 5.15 C ATOM 871 CZ TYR A 54 1.705 -6.906 -15.024 1.00 5.40 C ATOM 872 OH TYR A 54 1.751 -6.468 -16.329 1.00 6.50 O ATOM 0 HA TYR A 54 3.385 -7.290 -10.404 1.00 2.00 H new ATOM 0 HB2 TYR A 54 1.939 -9.308 -10.927 1.00 2.78 H new ATOM 0 HB3 TYR A 54 0.532 -8.306 -10.631 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.731 -8.022 -12.583 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -0.492 -7.457 -12.540 1.00 4.24 H new ATOM 0 HE1 TYR A 54 3.813 -7.239 -14.908 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -0.412 -6.672 -14.865 1.00 5.15 H new ATOM 0 HH TYR A 54 0.847 -6.240 -16.630 1.00 6.50 H new ATOM 882 N SER A 55 0.739 -5.978 -8.964 1.00 1.34 N ATOM 883 CA SER A 55 0.045 -4.730 -8.690 1.00 1.50 C ATOM 884 C SER A 55 0.910 -3.842 -7.800 1.00 1.20 C ATOM 885 O SER A 55 1.472 -4.308 -6.806 1.00 1.33 O ATOM 886 CB SER A 55 -1.297 -5.014 -8.006 1.00 2.13 C ATOM 887 OG SER A 55 -2.026 -6.013 -8.704 1.00 2.61 O ATOM 0 H SER A 55 0.388 -6.778 -8.437 1.00 1.34 H new ATOM 0 HA SER A 55 -0.144 -4.213 -9.631 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.124 -5.336 -6.979 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.885 -4.098 -7.958 1.00 2.13 H new ATOM 0 HG SER A 55 -2.877 -6.177 -8.246 1.00 2.61 H new ATOM 893 N SER A 56 1.024 -2.573 -8.159 1.00 1.07 N ATOM 894 CA SER A 56 1.827 -1.639 -7.386 1.00 0.91 C ATOM 895 C SER A 56 1.419 -0.199 -7.673 1.00 0.80 C ATOM 896 O SER A 56 0.976 0.128 -8.774 1.00 0.93 O ATOM 897 CB SER A 56 3.317 -1.845 -7.680 1.00 1.09 C ATOM 898 OG SER A 56 3.572 -1.845 -9.076 1.00 1.73 O ATOM 0 H SER A 56 0.572 -2.167 -8.978 1.00 1.07 H new ATOM 0 HA SER A 56 1.650 -1.834 -6.328 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.897 -1.055 -7.202 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.648 -2.789 -7.248 1.00 1.09 H new ATOM 0 HG SER A 56 4.530 -1.977 -9.233 1.00 1.73 H new ATOM 904 N ILE A 57 1.572 0.651 -6.671 1.00 0.68 N ATOM 905 CA ILE A 57 1.232 2.061 -6.768 1.00 0.67 C ATOM 906 C ILE A 57 2.435 2.896 -6.329 1.00 0.63 C ATOM 907 O ILE A 57 3.201 2.472 -5.467 1.00 0.81 O ATOM 908 CB ILE A 57 0.000 2.385 -5.884 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.241 1.646 -6.402 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.265 3.885 -5.813 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.634 2.016 -7.818 1.00 0.81 C ATOM 0 H ILE A 57 1.939 0.379 -5.759 1.00 0.68 H new ATOM 0 HA ILE A 57 0.979 2.301 -7.801 1.00 0.67 H new ATOM 0 HB ILE A 57 0.221 2.041 -4.873 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.057 0.573 -6.356 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -2.079 1.855 -5.737 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.136 4.071 -5.185 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.603 4.388 -5.388 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.452 4.269 -6.816 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.519 1.451 -8.109 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.852 3.083 -7.868 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.814 1.781 -8.496 1.00 0.81 H new ATOM 923 N ARG A 58 2.596 4.079 -6.900 1.00 0.66 N ATOM 924 CA ARG A 58 3.704 4.949 -6.536 1.00 0.73 C ATOM 925 C ARG A 58 3.175 6.327 -6.146 1.00 0.75 C ATOM 926 O ARG A 58 2.360 6.904 -6.862 1.00 0.91 O ATOM 927 CB ARG A 58 4.734 5.037 -7.678 1.00 0.96 C ATOM 928 CG ARG A 58 4.292 5.818 -8.911 1.00 1.24 C ATOM 929 CD ARG A 58 3.257 5.066 -9.741 1.00 1.86 C ATOM 930 NE ARG A 58 3.734 3.757 -10.203 1.00 2.47 N ATOM 931 CZ ARG A 58 4.718 3.582 -11.086 1.00 2.95 C ATOM 932 NH1 ARG A 58 5.156 4.607 -11.804 1.00 3.22 N ATOM 933 NH2 ARG A 58 5.055 2.352 -11.447 1.00 3.70 N ATOM 0 H ARG A 58 1.976 4.458 -7.615 1.00 0.66 H new ATOM 0 HA ARG A 58 4.219 4.525 -5.674 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.643 5.495 -7.288 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.994 4.024 -7.986 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.876 6.776 -8.600 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.162 6.034 -9.531 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.353 4.928 -9.147 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.982 5.672 -10.604 1.00 1.86 H new ATOM 0 HE ARG A 58 3.282 2.925 -9.823 1.00 2.47 H new ATOM 0 HH11 ARG A 58 4.740 5.530 -11.681 1.00 3.22 H new ATOM 0 HH12 ARG A 58 5.909 4.472 -12.479 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.563 1.551 -11.050 1.00 3.70 H new ATOM 0 HH22 ARG A 58 5.806 2.206 -12.122 1.00 3.70 H new ATOM 947 N LEU A 59 3.593 6.819 -4.976 1.00 0.85 N ATOM 948 CA LEU A 59 3.135 8.106 -4.435 1.00 1.02 C ATOM 949 C LEU A 59 3.615 9.307 -5.245 1.00 1.15 C ATOM 950 O LEU A 59 3.773 10.409 -4.710 1.00 1.59 O ATOM 951 CB LEU A 59 3.605 8.246 -2.981 1.00 1.28 C ATOM 952 CG LEU A 59 2.653 7.694 -1.912 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.171 6.296 -2.270 1.00 1.35 C ATOM 954 CD2 LEU A 59 3.339 7.686 -0.558 1.00 1.79 C ATOM 0 H LEU A 59 4.260 6.336 -4.374 1.00 0.85 H new ATOM 0 HA LEU A 59 2.046 8.103 -4.492 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.566 7.741 -2.880 1.00 1.28 H new ATOM 0 HB3 LEU A 59 3.777 9.302 -2.776 1.00 1.28 H new ATOM 0 HG LEU A 59 1.780 8.346 -1.866 1.00 1.35 H new ATOM 0 HD11 LEU A 59 1.498 5.933 -1.493 1.00 1.35 H new ATOM 0 HD12 LEU A 59 1.642 6.326 -3.223 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.027 5.626 -2.351 1.00 1.35 H new ATOM 0 HD21 LEU A 59 2.655 7.293 0.194 1.00 1.79 H new ATOM 0 HD22 LEU A 59 4.228 7.057 -0.604 1.00 1.79 H new ATOM 0 HD23 LEU A 59 3.627 8.703 -0.290 1.00 1.79 H new ATOM 966 N ASP A 60 3.824 9.100 -6.526 1.00 1.13 N ATOM 967 CA ASP A 60 4.266 10.159 -7.404 1.00 1.33 C ATOM 968 C ASP A 60 3.110 10.694 -8.237 1.00 1.33 C ATOM 969 O ASP A 60 2.658 11.824 -8.039 1.00 1.56 O ATOM 970 CB ASP A 60 5.378 9.662 -8.327 1.00 1.46 C ATOM 971 CG ASP A 60 5.927 10.760 -9.217 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.440 11.764 -8.681 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.865 10.618 -10.459 1.00 2.27 O ATOM 0 H ASP A 60 3.693 8.199 -6.986 1.00 1.13 H new ATOM 0 HA ASP A 60 4.652 10.967 -6.782 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.187 9.248 -7.726 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.995 8.852 -8.948 1.00 1.46 H new ATOM 978 N LYS A 61 2.647 9.893 -9.192 1.00 1.22 N ATOM 979 CA LYS A 61 1.570 10.322 -10.076 1.00 1.28 C ATOM 980 C LYS A 61 0.239 9.606 -9.835 1.00 1.06 C ATOM 981 O LYS A 61 -0.361 9.069 -10.763 1.00 1.27 O ATOM 982 CB LYS A 61 1.995 10.154 -11.533 1.00 1.60 C ATOM 983 CG LYS A 61 3.045 11.159 -11.966 1.00 1.93 C ATOM 984 CD LYS A 61 3.599 10.833 -13.338 1.00 2.55 C ATOM 985 CE LYS A 61 4.589 11.887 -13.797 1.00 3.16 C ATOM 986 NZ LYS A 61 5.683 12.089 -12.810 1.00 3.92 N ATOM 0 H LYS A 61 2.997 8.952 -9.372 1.00 1.22 H new ATOM 0 HA LYS A 61 1.392 11.373 -9.847 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.384 9.146 -11.678 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.119 10.253 -12.174 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.610 12.158 -11.977 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.857 11.173 -11.239 1.00 1.93 H new ATOM 0 HD2 LYS A 61 4.087 9.859 -13.313 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.781 10.762 -14.055 1.00 2.55 H new ATOM 0 HE2 LYS A 61 5.015 11.591 -14.756 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.067 12.830 -13.958 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 6.592 12.161 -13.310 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 5.511 12.964 -12.275 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 5.712 11.283 -12.154 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.251 9.646 -8.611 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.542 9.056 -8.300 1.00 0.69 C ATOM 1002 C TYR A 62 -2.333 10.023 -7.425 1.00 0.67 C ATOM 1003 O TYR A 62 -1.761 10.710 -6.578 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.393 7.695 -7.601 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.235 7.772 -6.097 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -0.151 8.416 -5.518 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -2.180 7.197 -5.254 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -0.010 8.485 -4.146 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -2.043 7.262 -3.880 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.956 7.907 -3.333 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.816 7.974 -1.965 1.00 2.21 O ATOM 0 H TYR A 62 0.222 10.079 -7.817 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.077 8.879 -9.233 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.267 7.086 -7.830 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.528 7.180 -8.018 1.00 0.70 H new ATOM 0 HD1 TYR A 62 0.596 8.871 -6.152 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -3.034 6.692 -5.680 1.00 1.46 H new ATOM 0 HE1 TYR A 62 0.840 8.991 -3.713 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.785 6.809 -3.239 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.338 8.795 -1.725 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.639 10.071 -7.610 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.480 10.933 -6.811 1.00 0.73 C ATOM 1023 C ASN A 63 -5.043 10.095 -5.683 1.00 0.64 C ATOM 1024 O ASN A 63 -5.284 8.910 -5.862 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.595 11.547 -7.664 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.524 12.438 -6.865 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -7.819 12.249 -7.051 1.00 2.15 O flip ATOM 1028 ND2 ASN A 63 -6.081 13.304 -6.110 1.00 2.13 N flip ATOM 0 H ASN A 63 -4.138 9.521 -8.309 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.905 11.766 -6.406 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.150 12.127 -8.473 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.174 10.748 -8.126 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.073 13.415 -5.997 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.722 13.911 -5.598 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.197 10.671 -4.518 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.683 9.901 -3.387 1.00 0.70 C ATOM 1037 C ILE A 64 -6.602 10.708 -2.477 1.00 0.79 C ATOM 1038 O ILE A 64 -6.442 11.917 -2.306 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.498 9.330 -2.586 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.984 8.423 -1.459 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.621 10.448 -2.046 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.865 7.678 -0.781 1.00 1.18 C ATOM 0 H ILE A 64 -4.999 11.652 -4.323 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.279 9.082 -3.789 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.895 8.726 -3.263 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.514 9.023 -0.720 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.700 7.706 -1.860 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.791 10.020 -1.484 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.232 11.038 -2.876 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.211 11.089 -1.391 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.273 7.050 0.011 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.350 7.053 -1.510 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.161 8.391 -0.352 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.562 10.008 -1.896 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.530 10.587 -0.987 1.00 0.80 C ATOM 1056 C ARG A 65 -8.627 9.683 0.239 1.00 0.68 C ATOM 1057 O ARG A 65 -8.065 8.585 0.245 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.897 10.712 -1.655 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.847 11.045 -3.141 1.00 1.24 C ATOM 1060 CD ARG A 65 -11.241 11.158 -3.734 1.00 1.78 C ATOM 1061 NE ARG A 65 -12.025 12.206 -3.089 1.00 2.20 N ATOM 1062 CZ ARG A 65 -13.308 12.440 -3.348 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -14.015 11.550 -4.030 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -13.936 13.410 -2.702 1.00 3.57 N ATOM 0 H ARG A 65 -7.690 9.007 -2.046 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.210 11.588 -0.699 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.438 9.775 -1.524 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.469 11.485 -1.142 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -9.311 11.983 -3.287 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.287 10.273 -3.669 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -11.165 11.366 -4.801 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -11.757 10.204 -3.631 1.00 1.78 H new ATOM 0 HE ARG A 65 -11.561 12.795 -2.398 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -13.575 10.689 -4.354 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -14.999 11.726 -4.231 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -13.436 13.971 -2.012 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -14.920 13.597 -2.894 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.324 10.120 1.272 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.449 9.312 2.478 1.00 0.83 C ATOM 1080 C GLN A 66 -10.759 9.576 3.203 1.00 0.99 C ATOM 1081 O GLN A 66 -11.119 10.720 3.481 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.266 9.573 3.426 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.099 11.033 3.826 1.00 1.30 C ATOM 1084 CD GLN A 66 -6.981 11.262 4.830 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.342 10.192 5.279 1.00 2.14 O flip ATOM 1086 NE2 GLN A 66 -6.699 12.398 5.204 1.00 2.45 N flip ATOM 0 H GLN A 66 -9.808 11.018 1.304 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.441 8.267 2.169 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.397 8.974 4.327 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.348 9.232 2.947 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -7.902 11.626 2.933 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -9.036 11.395 4.249 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -7.213 13.198 4.836 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -5.951 12.541 5.882 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.452 8.500 3.538 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.699 8.594 4.274 1.00 1.14 C ATOM 1097 C HIS A 67 -12.387 8.403 5.746 1.00 1.30 C ATOM 1098 O HIS A 67 -11.433 7.702 6.081 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.697 7.538 3.803 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.177 7.746 2.401 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.892 8.854 2.003 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.031 6.980 1.299 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.166 8.760 0.716 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.654 7.630 0.265 1.00 1.61 N ATOM 0 H HIS A 67 -11.169 7.547 3.310 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.154 9.569 4.103 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.233 6.554 3.877 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.555 7.537 4.475 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.518 6.031 1.242 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.715 9.483 0.132 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.712 7.295 -0.697 1.00 1.61 H new ATOM 1113 N THR A 68 -13.155 9.031 6.619 1.00 1.74 N ATOM 1114 CA THR A 68 -12.913 8.917 8.049 1.00 2.04 C ATOM 1115 C THR A 68 -14.249 8.840 8.802 1.00 1.92 C ATOM 1116 O THR A 68 -15.233 8.328 8.263 1.00 2.16 O ATOM 1117 CB THR A 68 -12.069 10.115 8.519 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.088 10.448 7.546 1.00 3.12 O ATOM 1119 CG2 THR A 68 -11.335 9.868 9.821 1.00 3.23 C ATOM 0 H THR A 68 -13.947 9.622 6.366 1.00 1.74 H new ATOM 0 HA THR A 68 -12.360 8.002 8.261 1.00 2.04 H new ATOM 0 HB THR A 68 -12.785 10.923 8.668 1.00 2.74 H new ATOM 0 HG1 THR A 68 -10.562 11.213 7.860 1.00 3.12 H new ATOM 0 HG21 THR A 68 -10.762 10.755 10.089 1.00 3.23 H new ATOM 0 HG22 THR A 68 -12.056 9.649 10.609 1.00 3.23 H new ATOM 0 HG23 THR A 68 -10.659 9.021 9.703 1.00 3.23 H new ATOM 1127 N THR A 69 -14.280 9.345 10.042 1.00 2.34 N ATOM 1128 CA THR A 69 -15.486 9.336 10.869 1.00 2.58 C ATOM 1129 C THR A 69 -15.998 7.908 11.071 1.00 2.35 C ATOM 1130 O THR A 69 -17.101 7.564 10.637 1.00 2.76 O ATOM 1131 CB THR A 69 -16.565 10.233 10.246 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.014 11.491 9.880 1.00 3.61 O ATOM 1133 CG2 THR A 69 -17.730 10.508 11.173 1.00 3.69 C ATOM 0 H THR A 69 -13.471 9.769 10.496 1.00 2.34 H new ATOM 0 HA THR A 69 -15.237 9.737 11.851 1.00 2.58 H new ATOM 0 HB THR A 69 -16.931 9.683 9.379 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.713 12.051 9.483 1.00 3.61 H new ATOM 0 HG21 THR A 69 -18.454 11.148 10.668 1.00 3.69 H new ATOM 0 HG22 THR A 69 -18.207 9.567 11.447 1.00 3.69 H new ATOM 0 HG23 THR A 69 -17.369 11.008 12.072 1.00 3.69 H new ATOM 1141 N ASP A 70 -15.149 7.083 11.699 1.00 2.34 N ATOM 1142 CA ASP A 70 -15.427 5.663 11.974 1.00 2.43 C ATOM 1143 C ASP A 70 -15.065 4.787 10.780 1.00 2.17 C ATOM 1144 O ASP A 70 -14.462 3.725 10.942 1.00 2.45 O ATOM 1145 CB ASP A 70 -16.884 5.414 12.389 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.167 3.947 12.652 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -16.512 3.359 13.537 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -18.050 3.377 11.975 1.00 3.96 O ATOM 0 H ASP A 70 -14.235 7.386 12.036 1.00 2.34 H new ATOM 0 HA ASP A 70 -14.796 5.388 12.819 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -17.107 5.991 13.286 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.549 5.775 11.605 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.414 5.229 9.583 1.00 2.04 N ATOM 1154 CA GLU A 71 -15.100 4.473 8.381 1.00 2.00 C ATOM 1155 C GLU A 71 -13.866 5.025 7.691 1.00 1.55 C ATOM 1156 O GLU A 71 -13.957 5.881 6.811 1.00 1.90 O ATOM 1157 CB GLU A 71 -16.269 4.470 7.402 1.00 2.69 C ATOM 1158 CG GLU A 71 -17.280 3.356 7.632 1.00 3.30 C ATOM 1159 CD GLU A 71 -17.028 2.143 6.753 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.949 1.522 6.863 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.907 1.810 5.930 1.00 4.50 O ATOM 0 H GLU A 71 -15.913 6.103 9.418 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.903 3.448 8.695 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.783 5.429 7.466 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.878 4.385 6.388 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -17.249 3.053 8.679 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -18.283 3.736 7.440 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.719 4.505 8.081 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.457 4.915 7.490 1.00 1.10 C ATOM 1170 C ASP A 72 -11.212 4.072 6.258 1.00 0.90 C ATOM 1171 O ASP A 72 -11.215 2.840 6.322 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.282 4.756 8.459 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.482 5.460 9.783 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.646 6.694 9.801 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.457 4.771 10.824 1.00 2.64 O ATOM 0 H ASP A 72 -12.633 3.794 8.808 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.525 5.973 7.237 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -10.117 3.695 8.644 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.379 5.141 7.986 1.00 1.58 H new ATOM 1180 N THR A 73 -11.026 4.729 5.143 1.00 0.74 N ATOM 1181 CA THR A 73 -10.801 4.056 3.882 1.00 0.65 C ATOM 1182 C THR A 73 -9.945 4.944 2.996 1.00 0.60 C ATOM 1183 O THR A 73 -10.305 6.098 2.754 1.00 0.79 O ATOM 1184 CB THR A 73 -12.155 3.764 3.213 1.00 0.79 C ATOM 1185 OG1 THR A 73 -12.951 2.915 4.029 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.042 3.118 1.849 1.00 0.94 C ATOM 0 H THR A 73 -11.026 5.747 5.079 1.00 0.74 H new ATOM 0 HA THR A 73 -10.282 3.111 4.043 1.00 0.65 H new ATOM 0 HB THR A 73 -12.618 4.743 3.087 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.609 3.453 4.517 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.039 2.945 1.445 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.488 3.776 1.179 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.517 2.167 1.939 1.00 0.94 H new ATOM 1194 N ILE A 74 -8.834 4.426 2.485 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.985 5.194 1.606 1.00 0.52 C ATOM 1196 C ILE A 74 -8.400 4.882 0.181 1.00 0.50 C ATOM 1197 O ILE A 74 -8.349 3.733 -0.258 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.486 4.852 1.813 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -5.958 5.507 3.088 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.648 5.271 0.615 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.002 7.020 3.052 1.00 0.99 C ATOM 0 H ILE A 74 -8.507 3.477 2.669 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.101 6.256 1.824 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.405 3.770 1.914 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -6.543 5.154 3.937 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -4.930 5.185 3.254 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.604 5.016 0.795 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.000 4.751 -0.275 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.739 6.347 0.466 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -5.612 7.418 3.989 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.394 7.382 2.223 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.032 7.351 2.918 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.857 5.888 -0.520 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.322 5.710 -1.874 1.00 0.45 C ATOM 1215 C VAL A 75 -8.431 6.459 -2.847 1.00 0.46 C ATOM 1216 O VAL A 75 -8.388 7.685 -2.835 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.774 6.206 -2.004 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.189 6.331 -3.460 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.725 5.308 -1.247 1.00 0.61 C ATOM 0 H VAL A 75 -8.918 6.845 -0.174 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.284 4.648 -2.115 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.822 7.200 -1.559 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.219 6.683 -3.516 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.535 7.041 -3.965 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -11.112 5.358 -3.945 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.743 5.682 -1.356 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.665 4.296 -1.647 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.453 5.298 -0.191 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.728 5.737 -3.693 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.867 6.381 -4.656 1.00 0.58 C ATOM 1231 C LEU A 76 -7.569 6.480 -6.000 1.00 0.59 C ATOM 1232 O LEU A 76 -8.242 5.546 -6.443 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.519 5.679 -4.772 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.590 4.185 -5.003 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.435 3.738 -5.873 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.597 3.428 -3.679 1.00 0.75 C ATOM 0 H LEU A 76 -7.736 4.718 -3.733 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.658 7.391 -4.304 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.961 6.131 -5.592 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.951 5.863 -3.860 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.523 3.959 -5.519 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.495 2.662 -6.033 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.483 4.251 -6.834 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.493 3.979 -5.380 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.649 2.357 -3.873 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.685 3.653 -3.126 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.463 3.732 -3.090 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.418 7.629 -6.625 1.00 0.62 N ATOM 1249 CA GLN A 77 -8.031 7.909 -7.908 1.00 0.74 C ATOM 1250 C GLN A 77 -6.953 7.959 -8.988 1.00 0.78 C ATOM 1251 O GLN A 77 -5.867 8.502 -8.780 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.796 9.234 -7.833 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.850 9.409 -8.915 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.642 10.693 -8.750 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -11.293 10.905 -7.726 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.595 11.557 -9.752 1.00 2.03 N ATOM 0 H GLN A 77 -6.863 8.401 -6.255 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.737 7.119 -8.162 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -9.277 9.308 -6.858 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.083 10.056 -7.900 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.367 9.406 -9.892 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -10.532 8.559 -8.894 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.044 11.344 -10.584 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.110 12.436 -9.692 1.00 2.03 H new ATOM 1265 N PRO A 78 -7.219 7.339 -10.135 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.257 7.257 -11.237 1.00 0.99 C ATOM 1267 C PRO A 78 -6.087 8.528 -12.069 1.00 1.02 C ATOM 1268 O PRO A 78 -6.897 8.829 -12.948 1.00 1.34 O ATOM 1269 CB PRO A 78 -6.841 6.163 -12.111 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.307 6.226 -11.873 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.464 6.603 -10.431 1.00 1.20 C ATOM 0 HA PRO A 78 -5.257 7.078 -10.841 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.604 6.328 -13.162 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.439 5.186 -11.843 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -8.779 6.962 -12.524 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -8.780 5.266 -12.081 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -9.346 7.223 -10.271 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.573 5.724 -9.795 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.977 9.222 -11.857 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.654 10.403 -12.650 1.00 1.56 C ATOM 1281 C GLN A 79 -3.660 9.979 -13.732 1.00 1.66 C ATOM 1282 O GLN A 79 -2.891 10.778 -14.262 1.00 2.02 O ATOM 1283 CB GLN A 79 -4.083 11.530 -11.790 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.917 11.112 -10.914 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.088 12.298 -10.438 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.339 12.202 -9.467 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.192 13.417 -11.134 1.00 3.46 N ATOM 0 H GLN A 79 -4.285 8.989 -11.144 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.563 10.799 -13.102 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.761 12.342 -12.442 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.876 11.926 -11.156 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -3.294 10.567 -10.049 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.278 10.426 -11.469 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -2.823 13.463 -11.934 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -1.641 14.234 -10.871 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.739 8.696 -14.050 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.917 8.064 -15.071 1.00 1.81 C ATOM 1298 C GLU A 80 -3.777 7.094 -15.875 1.00 1.62 C ATOM 1299 O GLU A 80 -4.518 6.295 -15.300 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.736 7.308 -14.447 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.665 8.198 -13.840 1.00 3.06 C ATOM 1302 CD GLU A 80 0.643 7.461 -13.625 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.669 6.488 -12.845 1.00 4.42 O ATOM 1304 OE2 GLU A 80 1.652 7.841 -14.256 1.00 4.35 O ATOM 0 H GLU A 80 -4.388 8.053 -13.597 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.515 8.841 -15.721 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -2.117 6.641 -13.674 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.278 6.681 -15.212 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.494 9.054 -14.493 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.019 8.590 -12.887 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.708 7.166 -17.212 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.494 6.303 -18.105 1.00 2.28 C ATOM 1313 C PRO A 81 -4.183 4.820 -17.917 1.00 2.24 C ATOM 1314 O PRO A 81 -3.108 4.349 -18.294 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.074 6.752 -19.508 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.493 8.112 -19.327 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.871 8.115 -17.962 1.00 2.53 C ATOM 0 HA PRO A 81 -5.562 6.399 -17.910 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -3.344 6.066 -19.939 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -4.927 6.776 -20.186 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.750 8.325 -20.095 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.263 8.879 -19.407 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.829 7.796 -17.993 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -2.887 9.108 -17.514 1.00 2.53 H new ATOM 1325 N GLY A 82 -5.124 4.090 -17.336 1.00 1.99 N ATOM 1326 CA GLY A 82 -4.930 2.673 -17.111 1.00 2.10 C ATOM 1327 C GLY A 82 -5.336 2.269 -15.710 1.00 1.96 C ATOM 1328 O GLY A 82 -6.205 1.414 -15.532 1.00 2.51 O ATOM 0 H GLY A 82 -6.021 4.455 -17.016 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -5.513 2.106 -17.837 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -3.883 2.418 -17.274 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.687 2.880 -14.721 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.961 2.594 -13.313 1.00 1.40 C ATOM 1334 C LEU A 83 -6.452 2.751 -13.008 1.00 1.22 C ATOM 1335 O LEU A 83 -7.095 3.681 -13.489 1.00 1.13 O ATOM 1336 CB LEU A 83 -4.161 3.543 -12.402 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.636 3.480 -12.532 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.987 4.604 -11.726 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -2.106 2.119 -12.096 1.00 1.86 C ATOM 0 H LEU A 83 -3.962 3.582 -14.870 1.00 1.57 H new ATOM 0 HA LEU A 83 -4.660 1.564 -13.120 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -4.480 4.565 -12.607 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.426 3.328 -11.367 1.00 1.31 H new ATOM 0 HG LEU A 83 -2.375 3.616 -13.582 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.903 4.546 -11.828 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -2.336 5.567 -12.099 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -2.258 4.502 -10.675 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -1.021 2.101 -12.198 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -2.375 1.940 -11.055 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -2.542 1.341 -12.722 1.00 1.86 H new ATOM 1351 N PRO A 84 -7.027 1.842 -12.215 1.00 1.33 N ATOM 1352 CA PRO A 84 -8.430 1.889 -11.842 1.00 1.29 C ATOM 1353 C PRO A 84 -8.610 2.531 -10.466 1.00 1.09 C ATOM 1354 O PRO A 84 -7.626 2.873 -9.805 1.00 1.15 O ATOM 1355 CB PRO A 84 -8.779 0.404 -11.789 1.00 1.58 C ATOM 1356 CG PRO A 84 -7.519 -0.269 -11.323 1.00 1.75 C ATOM 1357 CD PRO A 84 -6.368 0.675 -11.612 1.00 1.64 C ATOM 0 HA PRO A 84 -9.050 2.475 -12.520 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -9.605 0.216 -11.103 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -9.086 0.035 -12.767 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -7.574 -0.492 -10.258 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -7.377 -1.218 -11.840 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -5.830 0.943 -10.703 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -5.643 0.228 -12.291 1.00 1.64 H new ATOM 1365 N SER A 85 -9.846 2.662 -10.010 1.00 0.99 N ATOM 1366 CA SER A 85 -10.104 3.221 -8.695 1.00 0.88 C ATOM 1367 C SER A 85 -10.357 2.067 -7.740 1.00 0.63 C ATOM 1368 O SER A 85 -11.387 1.392 -7.824 1.00 0.82 O ATOM 1369 CB SER A 85 -11.313 4.151 -8.727 1.00 1.23 C ATOM 1370 OG SER A 85 -11.208 5.096 -9.783 1.00 1.43 O ATOM 0 H SER A 85 -10.681 2.390 -10.529 1.00 0.99 H new ATOM 0 HA SER A 85 -9.246 3.808 -8.368 1.00 0.88 H new ATOM 0 HB2 SER A 85 -12.223 3.564 -8.850 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.398 4.674 -7.775 1.00 1.23 H new ATOM 0 HG SER A 85 -11.997 5.678 -9.781 1.00 1.43 H new ATOM 1376 N PHE A 86 -9.401 1.809 -6.870 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.509 0.696 -5.943 1.00 0.64 C ATOM 1378 C PHE A 86 -9.344 1.164 -4.511 1.00 0.57 C ATOM 1379 O PHE A 86 -8.411 1.900 -4.196 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.451 -0.369 -6.302 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.163 -0.324 -5.506 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -7.094 -0.911 -4.252 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.030 0.302 -6.004 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.932 -0.875 -3.508 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.862 0.340 -5.262 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.817 -0.249 -4.010 1.00 0.75 C ATOM 0 H PHE A 86 -8.542 2.352 -6.784 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.502 0.256 -6.028 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.899 -1.354 -6.174 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.205 -0.265 -7.359 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.966 -1.406 -3.850 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -6.059 0.764 -6.980 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.899 -1.338 -2.533 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.985 0.829 -5.660 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.907 -0.216 -3.429 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.274 0.794 -3.645 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.235 1.213 -2.261 1.00 0.57 C ATOM 1398 C ARG A 87 -9.488 0.199 -1.394 1.00 0.57 C ATOM 1399 O ARG A 87 -9.002 -0.825 -1.882 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.683 1.319 -1.752 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.492 2.456 -2.356 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.969 2.156 -3.764 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.018 1.139 -3.786 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.619 0.734 -4.898 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.118 1.074 -6.075 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.602 -0.151 -4.839 1.00 2.41 N ATOM 0 H ARG A 87 -11.069 0.200 -3.883 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.716 2.169 -2.197 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.195 0.379 -1.958 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.664 1.441 -0.669 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.354 2.659 -1.721 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.885 3.361 -2.368 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.343 3.072 -4.222 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.126 1.819 -4.367 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.303 0.719 -2.901 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.274 1.645 -6.124 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.576 0.765 -6.933 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.899 -0.524 -3.937 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.062 -0.460 -5.695 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.495 0.455 -0.094 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.916 -0.436 0.905 1.00 0.54 C ATOM 1422 C ILE A 88 -9.762 -0.307 2.162 1.00 0.59 C ATOM 1423 O ILE A 88 -10.035 0.803 2.617 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.420 -0.177 1.208 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -7.096 1.314 1.193 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.530 -0.942 0.225 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.644 1.613 1.492 1.00 0.74 C ATOM 0 H ILE A 88 -9.908 1.299 0.304 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.931 -1.451 0.508 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.215 -0.545 2.213 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.351 1.724 0.216 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.723 1.822 1.925 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.483 -0.747 0.455 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.727 -2.011 0.311 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.746 -0.614 -0.792 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.481 2.690 1.466 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.390 1.232 2.481 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.012 1.132 0.745 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.228 -1.431 2.686 1.00 0.62 N ATOM 1440 CA LYS A 89 -11.106 -1.405 3.848 1.00 0.74 C ATOM 1441 C LYS A 89 -10.451 -2.037 5.066 1.00 0.85 C ATOM 1442 O LYS A 89 -9.478 -2.782 4.938 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.419 -2.133 3.517 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.259 -1.460 2.444 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.739 -0.079 2.851 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.805 -0.160 3.926 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.396 1.169 4.219 1.00 2.46 N ATOM 0 H LYS A 89 -10.016 -2.363 2.330 1.00 0.62 H new ATOM 0 HA LYS A 89 -11.312 -0.363 4.092 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.186 -3.148 3.195 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -13.013 -2.216 4.427 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.674 -1.381 1.528 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -14.121 -2.087 2.218 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -12.896 0.508 3.215 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.137 0.441 1.980 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.591 -0.845 3.607 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.372 -0.574 4.837 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.266 1.392 5.226 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -14.925 1.894 3.641 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.412 1.154 3.996 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.986 -1.743 6.272 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.461 -2.281 7.535 1.00 1.30 C ATOM 1463 C PRO A 90 -10.778 -3.759 7.723 1.00 1.47 C ATOM 1464 O PRO A 90 -11.266 -4.175 8.776 1.00 1.94 O ATOM 1465 CB PRO A 90 -11.188 -1.463 8.598 1.00 1.59 C ATOM 1466 CG PRO A 90 -12.457 -1.039 7.954 1.00 1.77 C ATOM 1467 CD PRO A 90 -12.146 -0.860 6.495 1.00 1.29 C ATOM 0 HA PRO A 90 -9.374 -2.210 7.576 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -11.378 -2.057 9.492 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -10.595 -0.602 8.908 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -13.236 -1.788 8.097 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -12.824 -0.110 8.391 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.991 -1.144 5.868 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -11.910 0.178 6.261 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.522 -4.540 6.695 1.00 1.40 N ATOM 1476 CA LYS A 91 -10.784 -5.961 6.730 1.00 1.72 C ATOM 1477 C LYS A 91 -9.599 -6.695 7.355 1.00 2.02 C ATOM 1478 O LYS A 91 -9.221 -7.785 6.926 1.00 2.48 O ATOM 1479 CB LYS A 91 -11.057 -6.453 5.313 1.00 1.95 C ATOM 1480 CG LYS A 91 -11.881 -7.728 5.244 1.00 2.50 C ATOM 1481 CD LYS A 91 -13.012 -7.727 6.262 1.00 2.94 C ATOM 1482 CE LYS A 91 -13.888 -8.964 6.140 1.00 3.58 C ATOM 1483 NZ LYS A 91 -14.868 -9.067 7.257 1.00 4.13 N ATOM 0 H LYS A 91 -10.128 -4.208 5.815 1.00 1.40 H new ATOM 0 HA LYS A 91 -11.661 -6.164 7.344 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.575 -5.669 4.762 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -10.105 -6.621 4.809 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -12.295 -7.839 4.242 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -11.235 -8.588 5.420 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.595 -7.676 7.268 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.623 -6.835 6.125 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.422 -8.937 5.190 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -13.259 -9.854 6.127 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -15.445 -9.924 7.135 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -14.359 -9.119 8.162 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -15.486 -8.231 7.255 1.00 4.13 H new ATOM 1497 N ASP A 92 -9.018 -6.050 8.359 1.00 2.34 N ATOM 1498 CA ASP A 92 -7.861 -6.565 9.089 1.00 2.92 C ATOM 1499 C ASP A 92 -8.124 -7.964 9.627 1.00 2.79 C ATOM 1500 O ASP A 92 -7.640 -8.960 9.083 1.00 3.27 O ATOM 1501 CB ASP A 92 -7.522 -5.655 10.279 1.00 3.81 C ATOM 1502 CG ASP A 92 -7.159 -4.234 9.900 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -7.959 -3.572 9.197 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -6.104 -3.749 10.362 1.00 5.11 O ATOM 0 H ASP A 92 -9.340 -5.142 8.695 1.00 2.34 H new ATOM 0 HA ASP A 92 -7.029 -6.593 8.385 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -8.376 -5.630 10.956 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -6.691 -6.094 10.831 1.00 3.81 H new ATOM 1509 N PHE A 93 -8.877 -8.023 10.725 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.198 -9.281 11.389 1.00 2.95 C ATOM 1511 C PHE A 93 -10.320 -9.089 12.414 1.00 3.05 C ATOM 1512 O PHE A 93 -11.451 -8.767 12.051 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.941 -9.851 12.064 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.976 -8.800 12.553 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -7.346 -7.879 13.522 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -5.695 -8.735 12.034 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -6.459 -6.920 13.960 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -4.802 -7.777 12.469 1.00 5.30 C ATOM 1519 CZ PHE A 93 -5.186 -6.867 13.435 1.00 5.69 C ATOM 0 H PHE A 93 -9.279 -7.202 11.176 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.549 -9.990 10.639 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.244 -10.472 12.907 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.426 -10.502 11.358 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -8.342 -7.914 13.938 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -5.390 -9.444 11.278 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -6.762 -6.210 14.715 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -3.805 -7.739 12.055 1.00 5.30 H new ATOM 0 HZ PHE A 93 -4.490 -6.116 13.778 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.999 -9.284 13.693 1.00 3.44 N ATOM 1530 CA GLU A 94 -10.968 -9.131 14.770 1.00 3.96 C ATOM 1531 C GLU A 94 -11.237 -7.648 15.033 1.00 3.75 C ATOM 1532 O GLU A 94 -11.993 -7.003 14.305 1.00 4.15 O ATOM 1533 CB GLU A 94 -10.442 -9.791 16.045 1.00 4.82 C ATOM 1534 CG GLU A 94 -9.677 -11.078 15.801 1.00 5.73 C ATOM 1535 CD GLU A 94 -9.005 -11.593 17.056 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -9.715 -11.958 18.013 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -7.758 -11.623 17.099 1.00 7.20 O ATOM 0 H GLU A 94 -9.066 -9.551 14.007 1.00 3.44 H new ATOM 0 HA GLU A 94 -11.899 -9.614 14.472 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -9.793 -9.087 16.565 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -11.282 -9.999 16.708 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -10.360 -11.837 15.419 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -8.924 -10.910 15.031 1.00 5.73 H new ATOM 1544 N THR A 95 -10.597 -7.113 16.063 1.00 3.56 N ATOM 1545 CA THR A 95 -10.743 -5.712 16.416 1.00 3.57 C ATOM 1546 C THR A 95 -9.494 -4.956 15.999 1.00 3.11 C ATOM 1547 O THR A 95 -8.377 -5.452 16.161 1.00 3.46 O ATOM 1548 CB THR A 95 -10.977 -5.576 17.922 1.00 4.37 C ATOM 1549 OG1 THR A 95 -11.961 -6.501 18.356 1.00 4.92 O ATOM 1550 CG2 THR A 95 -11.433 -4.196 18.339 1.00 4.79 C ATOM 0 H THR A 95 -9.967 -7.635 16.672 1.00 3.56 H new ATOM 0 HA THR A 95 -11.603 -5.290 15.895 1.00 3.57 H new ATOM 0 HB THR A 95 -10.010 -5.773 18.384 1.00 4.37 H new ATOM 0 HG1 THR A 95 -12.099 -6.403 19.321 1.00 4.92 H new ATOM 0 HG21 THR A 95 -11.579 -4.172 19.419 1.00 4.79 H new ATOM 0 HG22 THR A 95 -10.677 -3.463 18.059 1.00 4.79 H new ATOM 0 HG23 THR A 95 -12.372 -3.957 17.840 1.00 4.79 H new ATOM 1558 N SER A 96 -9.678 -3.771 15.444 1.00 2.83 N ATOM 1559 CA SER A 96 -8.566 -2.984 14.991 1.00 2.92 C ATOM 1560 C SER A 96 -8.986 -1.524 14.852 1.00 2.63 C ATOM 1561 O SER A 96 -9.337 -0.881 15.848 1.00 2.95 O ATOM 1562 CB SER A 96 -8.054 -3.558 13.655 1.00 3.49 C ATOM 1563 OG SER A 96 -6.872 -2.913 13.213 1.00 4.05 O ATOM 0 H SER A 96 -10.591 -3.340 15.300 1.00 2.83 H new ATOM 0 HA SER A 96 -7.754 -3.025 15.717 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.863 -4.625 13.770 1.00 3.49 H new ATOM 0 HB3 SER A 96 -8.829 -3.453 12.896 1.00 3.49 H new ATOM 0 HG SER A 96 -6.642 -3.230 12.315 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.865 -1.014 13.627 1.00 2.52 N ATOM 1570 CA GLU A 97 -9.138 0.373 13.275 1.00 2.71 C ATOM 1571 C GLU A 97 -7.871 1.156 13.547 1.00 2.41 C ATOM 1572 O GLU A 97 -7.237 1.670 12.634 1.00 2.64 O ATOM 1573 CB GLU A 97 -10.321 0.939 14.049 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.329 2.461 14.129 1.00 3.93 C ATOM 1575 CD GLU A 97 -11.333 3.008 15.125 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -12.174 2.233 15.625 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -11.287 4.226 15.405 1.00 4.75 O ATOM 0 H GLU A 97 -8.565 -1.575 12.830 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.418 0.445 12.224 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -11.245 0.604 13.579 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -10.311 0.531 15.060 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.332 2.808 14.402 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -10.549 2.868 13.142 1.00 3.93 H new ATOM 1584 N TYR A 98 -7.538 1.247 14.826 1.00 2.15 N ATOM 1585 CA TYR A 98 -6.354 1.975 15.302 1.00 1.95 C ATOM 1586 C TYR A 98 -5.091 1.601 14.504 1.00 1.56 C ATOM 1587 O TYR A 98 -4.161 2.398 14.378 1.00 1.45 O ATOM 1588 CB TYR A 98 -6.157 1.703 16.791 1.00 2.16 C ATOM 1589 CG TYR A 98 -7.395 2.012 17.603 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -7.973 3.273 17.554 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -7.992 1.049 18.404 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -9.110 3.566 18.278 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -9.130 1.336 19.135 1.00 4.46 C ATOM 1594 CZ TYR A 98 -9.685 2.595 19.067 1.00 4.66 C ATOM 1595 OH TYR A 98 -10.825 2.878 19.786 1.00 5.65 O ATOM 0 H TYR A 98 -8.081 0.817 15.575 1.00 2.15 H new ATOM 0 HA TYR A 98 -6.521 3.041 15.147 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.884 0.657 16.933 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -5.325 2.303 17.160 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -7.525 4.038 16.938 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -7.561 0.060 18.457 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -9.547 4.552 18.226 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -9.582 0.577 19.756 1.00 4.46 H new ATOM 0 HH TYR A 98 -11.100 2.083 20.289 1.00 5.65 H new ATOM 1605 N VAL A 99 -5.102 0.401 13.937 1.00 1.54 N ATOM 1606 CA VAL A 99 -3.995 -0.079 13.107 1.00 1.34 C ATOM 1607 C VAL A 99 -4.025 0.625 11.744 1.00 1.17 C ATOM 1608 O VAL A 99 -3.022 1.171 11.281 1.00 1.04 O ATOM 1609 CB VAL A 99 -4.045 -1.610 12.899 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -2.931 -2.066 11.967 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -3.956 -2.342 14.231 1.00 1.91 C ATOM 0 H VAL A 99 -5.869 -0.264 14.036 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.068 0.155 13.630 1.00 1.34 H new ATOM 0 HB VAL A 99 -5.002 -1.854 12.437 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -2.986 -3.147 11.836 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -3.043 -1.577 11.000 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -1.965 -1.802 12.398 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -3.993 -3.418 14.058 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -3.019 -2.086 14.725 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -4.792 -2.047 14.865 1.00 1.91 H new ATOM 1621 N ARG A 100 -5.203 0.613 11.126 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.432 1.240 9.826 1.00 1.42 C ATOM 1623 C ARG A 100 -5.464 2.762 9.944 1.00 1.31 C ATOM 1624 O ARG A 100 -5.222 3.473 8.970 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.748 0.724 9.259 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.188 1.359 7.956 1.00 2.37 C ATOM 1627 CD ARG A 100 -8.605 0.933 7.589 1.00 3.01 C ATOM 1628 NE ARG A 100 -9.637 1.646 8.359 1.00 3.48 N ATOM 1629 CZ ARG A 100 -9.865 1.500 9.671 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -9.538 0.366 10.272 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -10.798 2.241 10.239 1.00 4.93 N ATOM 0 H ARG A 100 -6.032 0.165 11.516 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.612 0.982 9.156 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.662 -0.352 9.108 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.530 0.880 10.002 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.142 2.445 8.043 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -6.501 1.074 7.159 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -8.767 1.108 6.525 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -8.711 -0.139 7.755 1.00 3.01 H new ATOM 0 HE ARG A 100 -10.227 2.306 7.852 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -9.114 -0.392 9.736 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -9.710 0.250 11.271 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -11.329 2.909 9.680 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -10.988 2.146 11.237 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.743 3.261 11.143 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.778 4.698 11.379 1.00 1.43 C ATOM 1647 C LYS A 101 -4.386 5.254 11.152 1.00 1.27 C ATOM 1648 O LYS A 101 -4.210 6.348 10.613 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.235 5.013 12.795 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.496 6.494 13.010 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.777 6.960 12.335 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.006 6.483 13.092 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.266 6.968 12.472 1.00 3.24 N ATOM 0 H LYS A 101 -5.948 2.692 11.965 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.490 5.156 10.692 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.144 4.453 13.012 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.476 4.676 13.501 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.557 6.698 14.079 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -5.655 7.069 12.623 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.784 8.048 12.275 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.809 6.584 11.312 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.013 5.393 13.122 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.953 6.830 14.124 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.013 6.257 12.602 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.554 7.860 12.923 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.114 7.128 11.456 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.397 4.462 11.536 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.015 4.836 11.350 1.00 1.11 C ATOM 1669 C ALA A 102 -1.664 4.778 9.869 1.00 0.99 C ATOM 1670 O ALA A 102 -0.840 5.549 9.391 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.106 3.925 12.158 1.00 1.22 C ATOM 0 H ALA A 102 -3.533 3.554 11.980 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.869 5.856 11.705 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.068 4.220 12.007 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.356 4.007 13.216 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.241 2.894 11.832 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.321 3.862 9.152 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.102 3.697 7.718 1.00 1.01 C ATOM 1679 C TRP A 103 -2.460 4.965 6.962 1.00 0.93 C ATOM 1680 O TRP A 103 -1.763 5.342 6.019 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.899 2.517 7.161 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.175 1.211 7.253 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.106 0.372 8.327 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.389 0.608 6.224 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -1.342 -0.727 8.014 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.888 -0.599 6.728 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.068 0.973 4.918 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -0.078 -1.442 5.968 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.269 0.138 4.171 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.219 -1.057 4.695 1.00 0.98 C ATOM 0 H TRP A 103 -3.011 3.222 9.546 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.041 3.491 7.577 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.843 2.439 7.701 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.144 2.715 6.118 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.581 0.546 9.281 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -1.145 -1.510 8.637 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.440 1.896 4.499 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.301 -2.368 6.374 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.015 0.415 3.158 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.844 -1.689 4.082 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.521 5.648 7.389 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.900 6.892 6.744 1.00 1.12 C ATOM 1703 C LEU A 104 -2.732 7.845 6.931 1.00 1.10 C ATOM 1704 O LEU A 104 -2.121 8.301 5.967 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.168 7.459 7.378 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.274 6.437 7.646 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.401 7.082 8.423 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -6.798 5.841 6.350 1.00 2.27 C ATOM 0 H LEU A 104 -4.120 5.364 8.164 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.115 6.739 5.686 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -4.901 7.938 8.320 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.564 8.237 6.726 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.851 5.627 8.240 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.183 6.346 8.608 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -7.021 7.455 9.374 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -7.812 7.911 7.847 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -7.583 5.118 6.573 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -7.203 6.635 5.722 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -5.984 5.342 5.824 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.472 8.158 8.195 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.399 9.069 8.578 1.00 1.18 C ATOM 1722 C ARG A 105 -0.100 8.738 7.833 1.00 1.08 C ATOM 1723 O ARG A 105 0.627 9.648 7.436 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.163 9.006 10.088 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.376 9.404 10.912 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.042 9.449 12.391 1.00 2.29 C ATOM 1727 NE ARG A 105 -3.180 9.883 13.195 1.00 2.86 N ATOM 1728 CZ ARG A 105 -3.131 10.057 14.513 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.972 9.971 15.150 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -4.207 10.468 15.164 1.00 4.52 N ATOM 0 H ARG A 105 -3.000 7.787 8.985 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.704 10.079 8.304 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -0.867 7.992 10.359 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.330 9.660 10.344 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -2.735 10.381 10.587 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.185 8.694 10.740 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.721 8.461 12.721 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.204 10.127 12.553 1.00 2.29 H new ATOM 0 HE ARG A 105 -4.064 10.063 12.719 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.118 9.771 14.630 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.934 10.104 16.161 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -5.072 10.651 14.655 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -4.172 10.602 16.175 1.00 4.52 H new ATOM 1744 N ASP A 106 0.165 7.448 7.611 1.00 0.95 N ATOM 1745 CA ASP A 106 1.357 7.025 6.871 1.00 0.99 C ATOM 1746 C ASP A 106 1.303 7.584 5.452 1.00 0.96 C ATOM 1747 O ASP A 106 2.268 8.150 4.964 1.00 1.17 O ATOM 1748 CB ASP A 106 1.488 5.496 6.823 1.00 1.09 C ATOM 1749 CG ASP A 106 2.046 4.902 8.102 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.109 5.371 8.568 1.00 2.18 O ATOM 1751 OD2 ASP A 106 1.443 3.948 8.638 1.00 1.76 O ATOM 0 H ASP A 106 -0.427 6.681 7.931 1.00 0.95 H new ATOM 0 HA ASP A 106 2.231 7.415 7.393 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.509 5.060 6.625 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.134 5.219 5.990 1.00 1.09 H new ATOM 1756 N ILE A 107 0.158 7.417 4.802 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.046 7.915 3.440 1.00 1.04 C ATOM 1758 C ILE A 107 0.168 9.435 3.371 1.00 1.23 C ATOM 1759 O ILE A 107 0.777 9.946 2.427 1.00 1.43 O ATOM 1760 CB ILE A 107 -1.465 7.546 2.920 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.424 6.237 2.113 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.067 8.668 2.079 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.906 5.041 2.886 1.00 1.45 C ATOM 0 H ILE A 107 -0.651 6.937 5.196 1.00 0.92 H new ATOM 0 HA ILE A 107 0.692 7.435 2.798 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.104 7.403 3.791 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.429 6.014 1.753 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -0.797 6.386 1.234 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.058 8.373 1.734 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -2.147 9.572 2.683 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -1.426 8.862 1.219 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.911 4.162 2.242 1.00 1.45 H new ATOM 0 HD12 ILE A 107 0.112 5.238 3.223 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.546 4.861 3.750 1.00 1.45 H new ATOM 1775 N ALA A 108 -0.346 10.146 4.377 1.00 1.25 N ATOM 1776 CA ALA A 108 -0.238 11.606 4.444 1.00 1.52 C ATOM 1777 C ALA A 108 1.208 12.076 4.638 1.00 1.59 C ATOM 1778 O ALA A 108 1.529 13.243 4.403 1.00 1.92 O ATOM 1779 CB ALA A 108 -1.111 12.136 5.569 1.00 1.62 C ATOM 0 H ALA A 108 -0.845 9.730 5.163 1.00 1.25 H new ATOM 0 HA ALA A 108 -0.581 12.002 3.488 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -1.027 13.222 5.614 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -2.149 11.860 5.385 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -0.784 11.707 6.516 1.00 1.62 H new ATOM 1785 N GLU A 109 2.069 11.166 5.059 1.00 1.39 N ATOM 1786 CA GLU A 109 3.479 11.464 5.283 1.00 1.50 C ATOM 1787 C GLU A 109 4.265 10.161 5.312 1.00 1.43 C ATOM 1788 O GLU A 109 4.557 9.594 6.370 1.00 1.70 O ATOM 1789 CB GLU A 109 3.674 12.259 6.579 1.00 1.69 C ATOM 1790 CG GLU A 109 2.943 11.673 7.776 1.00 1.73 C ATOM 1791 CD GLU A 109 3.210 12.430 9.056 1.00 2.07 C ATOM 1792 OE1 GLU A 109 4.379 12.473 9.495 1.00 2.40 O ATOM 1793 OE2 GLU A 109 2.251 12.979 9.637 1.00 2.56 O ATOM 0 H GLU A 109 1.813 10.198 5.256 1.00 1.39 H new ATOM 0 HA GLU A 109 3.850 12.085 4.468 1.00 1.50 H new ATOM 0 HB2 GLU A 109 4.739 12.311 6.805 1.00 1.69 H new ATOM 0 HB3 GLU A 109 3.332 13.282 6.421 1.00 1.69 H new ATOM 0 HG2 GLU A 109 1.871 11.673 7.577 1.00 1.73 H new ATOM 0 HG3 GLU A 109 3.243 10.633 7.905 1.00 1.73 H new ATOM 1800 N GLU A 110 4.562 9.681 4.117 1.00 1.49 N ATOM 1801 CA GLU A 110 5.266 8.429 3.924 1.00 1.63 C ATOM 1802 C GLU A 110 6.665 8.463 4.529 1.00 1.78 C ATOM 1803 O GLU A 110 7.284 9.528 4.636 1.00 2.20 O ATOM 1804 CB GLU A 110 5.347 8.094 2.424 1.00 2.09 C ATOM 1805 CG GLU A 110 6.174 9.077 1.592 1.00 2.83 C ATOM 1806 CD GLU A 110 5.397 10.296 1.108 1.00 3.38 C ATOM 1807 OE1 GLU A 110 4.899 11.076 1.947 1.00 3.86 O ATOM 1808 OE2 GLU A 110 5.301 10.489 -0.123 1.00 3.86 O ATOM 0 H GLU A 110 4.318 10.155 3.247 1.00 1.49 H new ATOM 0 HA GLU A 110 4.703 7.652 4.441 1.00 1.63 H new ATOM 0 HB2 GLU A 110 5.772 7.097 2.311 1.00 2.09 H new ATOM 0 HB3 GLU A 110 4.336 8.057 2.019 1.00 2.09 H new ATOM 0 HG2 GLU A 110 7.023 9.414 2.187 1.00 2.83 H new ATOM 0 HG3 GLU A 110 6.579 8.552 0.727 1.00 2.83 H new ATOM 1815 N GLN A 111 7.145 7.277 4.906 1.00 1.93 N ATOM 1816 CA GLN A 111 8.450 7.080 5.480 1.00 2.44 C ATOM 1817 C GLN A 111 8.537 7.584 6.916 1.00 2.84 C ATOM 1818 O GLN A 111 8.615 8.789 7.160 1.00 3.22 O ATOM 1819 CB GLN A 111 9.509 7.734 4.620 1.00 2.97 C ATOM 1820 CG GLN A 111 10.884 7.240 4.949 1.00 3.66 C ATOM 1821 CD GLN A 111 11.259 6.012 4.152 1.00 4.54 C ATOM 1822 OE1 GLN A 111 10.594 4.981 4.227 1.00 5.12 O ATOM 1823 NE2 GLN A 111 12.325 6.116 3.380 1.00 5.02 N ATOM 0 H GLN A 111 6.612 6.412 4.812 1.00 1.93 H new ATOM 0 HA GLN A 111 8.629 6.005 5.510 1.00 2.44 H new ATOM 0 HB2 GLN A 111 9.295 7.537 3.569 1.00 2.97 H new ATOM 0 HB3 GLN A 111 9.470 8.815 4.756 1.00 2.97 H new ATOM 0 HG2 GLN A 111 11.608 8.031 4.755 1.00 3.66 H new ATOM 0 HG3 GLN A 111 10.940 7.011 6.013 1.00 3.66 H new ATOM 0 HE21 GLN A 111 12.848 6.991 3.348 1.00 5.02 H new ATOM 0 HE22 GLN A 111 12.625 5.321 2.816 1.00 5.02 H new