USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 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 63 ASN :FLIP amide:sc= -0.447 X(o=-0.82,f=-0.79) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -0.343 F(o=-1.8!,f=-0.79) USER MOD Set 2.1: A 38 MET CE :methyl -158:sc= -0.288 (180deg=-1.07) USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 42 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 13 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.41) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.935 F(o=-2.2!,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 1.26 (180deg=-0.598) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.45 F(o=-3.5!,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.16) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -135:sc= 1.44 USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= 1.29 (180deg=-0.471) USER MOD Single : A 62 TYR OH : rot -71:sc= 1.02 USER MOD Single : A 66 GLN : amide:sc= -0.402 K(o=-0.4,f=-4.6!) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -75:sc= 0.766 USER MOD Single : A 69 THR OG1 : rot -34:sc= 0.271 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -7.26! C(o=-8.2!,f=-7.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.785) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -44:sc= 0.101 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.15) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 12.225 -2.358 6.627 1.00 3.85 N ATOM 109 CA ARG A 9 10.763 -2.418 6.623 1.00 3.14 C ATOM 110 C ARG A 9 10.214 -1.000 6.689 1.00 2.98 C ATOM 111 O ARG A 9 9.075 -0.774 7.086 1.00 3.23 O ATOM 112 CB ARG A 9 10.248 -3.240 7.795 1.00 2.97 C ATOM 113 CG ARG A 9 10.927 -4.596 7.943 1.00 3.11 C ATOM 114 CD ARG A 9 10.162 -5.497 8.897 1.00 3.35 C ATOM 115 NE ARG A 9 10.752 -6.834 8.994 1.00 3.78 N ATOM 116 CZ ARG A 9 10.839 -7.705 7.978 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.363 -7.394 6.779 1.00 4.46 N ATOM 118 NH2 ARG A 9 11.351 -8.908 8.174 1.00 4.95 N ATOM 0 HA ARG A 9 10.426 -2.903 5.707 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.389 -2.672 8.714 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.175 -3.393 7.676 1.00 2.97 H new ATOM 0 HG2 ARG A 9 11.001 -5.076 6.967 1.00 3.11 H new ATOM 0 HG3 ARG A 9 11.945 -4.457 8.308 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.140 -5.040 9.886 1.00 3.35 H new ATOM 0 HD3 ARG A 9 9.128 -5.582 8.562 1.00 3.35 H new ATOM 0 HE ARG A 9 11.123 -7.123 9.899 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.926 -6.485 6.624 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.434 -8.063 6.013 1.00 4.46 H new ATOM 0 HH21 ARG A 9 11.682 -9.177 9.101 1.00 4.95 H new ATOM 0 HH22 ARG A 9 11.415 -9.567 7.398 1.00 4.95 H new ATOM 132 N ILE A 10 11.090 -0.088 6.282 1.00 2.78 N ATOM 133 CA ILE A 10 10.889 1.377 6.232 1.00 2.70 C ATOM 134 C ILE A 10 9.478 1.879 6.615 1.00 2.20 C ATOM 135 O ILE A 10 9.344 2.538 7.641 1.00 2.49 O ATOM 136 CB ILE A 10 11.306 1.924 4.838 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.174 3.454 4.788 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.507 1.262 3.726 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.245 4.184 5.580 1.00 3.25 C ATOM 0 H ILE A 10 12.019 -0.356 5.956 1.00 2.78 H new ATOM 0 HA ILE A 10 11.535 1.775 7.014 1.00 2.70 H new ATOM 0 HB ILE A 10 12.355 1.675 4.679 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.217 3.780 3.749 1.00 2.80 H new ATOM 0 HG13 ILE A 10 10.194 3.738 5.171 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.821 1.665 2.763 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.681 0.186 3.743 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.445 1.460 3.873 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.088 5.260 5.499 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.189 3.887 6.627 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.228 3.930 5.183 1.00 3.25 H new ATOM 151 N ILE A 11 8.436 1.588 5.830 1.00 1.98 N ATOM 152 CA ILE A 11 7.095 2.082 6.184 1.00 1.56 C ATOM 153 C ILE A 11 6.263 1.013 6.897 1.00 1.31 C ATOM 154 O ILE A 11 6.538 0.682 8.051 1.00 1.71 O ATOM 155 CB ILE A 11 6.303 2.602 4.972 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.228 3.396 4.039 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.138 3.478 5.466 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.546 3.936 2.796 1.00 2.05 C ATOM 0 H ILE A 11 8.485 1.034 4.975 1.00 1.98 H new ATOM 0 HA ILE A 11 7.272 2.918 6.860 1.00 1.56 H new ATOM 0 HB ILE A 11 5.898 1.761 4.409 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.657 4.230 4.595 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.056 2.755 3.736 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.574 3.849 4.611 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.482 2.885 6.104 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.532 4.321 6.034 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.270 4.484 2.193 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.141 3.108 2.214 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.736 4.605 3.087 1.00 2.05 H new ATOM 170 N ARG A 12 5.220 0.505 6.242 1.00 0.96 N ATOM 171 CA ARG A 12 4.352 -0.486 6.865 1.00 1.02 C ATOM 172 C ARG A 12 3.784 -1.469 5.854 1.00 0.77 C ATOM 173 O ARG A 12 3.553 -1.115 4.701 1.00 0.91 O ATOM 174 CB ARG A 12 3.199 0.228 7.545 1.00 1.53 C ATOM 175 CG ARG A 12 2.498 -0.624 8.590 1.00 2.10 C ATOM 176 CD ARG A 12 2.536 0.035 9.961 1.00 2.67 C ATOM 177 NE ARG A 12 3.870 0.519 10.299 1.00 3.29 N ATOM 178 CZ ARG A 12 4.201 1.017 11.483 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.480 0.703 12.562 1.00 4.30 N ATOM 180 NH2 ARG A 12 5.408 1.543 11.641 1.00 4.72 N ATOM 0 H ARG A 12 4.959 0.762 5.290 1.00 0.96 H new ATOM 0 HA ARG A 12 4.951 -1.047 7.582 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.571 1.137 8.017 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.475 0.535 6.790 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.462 -0.788 8.292 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.974 -1.603 8.642 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.832 0.867 9.983 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.208 -0.680 10.716 1.00 2.67 H new ATOM 0 HE ARG A 12 4.593 0.472 9.581 1.00 3.29 H new ATOM 0 HH11 ARG A 12 2.676 0.081 12.475 1.00 4.30 H new ATOM 0 HH12 ARG A 12 3.733 1.085 13.473 1.00 4.30 H new ATOM 0 HH21 ARG A 12 6.063 1.560 10.860 1.00 4.72 H new ATOM 0 HH22 ARG A 12 5.681 1.931 12.544 1.00 4.72 H new ATOM 194 N HIS A 13 3.547 -2.705 6.286 1.00 0.70 N ATOM 195 CA HIS A 13 2.999 -3.730 5.415 1.00 0.68 C ATOM 196 C HIS A 13 1.863 -4.486 6.108 1.00 0.74 C ATOM 197 O HIS A 13 2.072 -5.177 7.102 1.00 1.04 O ATOM 198 CB HIS A 13 4.099 -4.703 4.951 1.00 0.93 C ATOM 199 CG HIS A 13 4.851 -5.413 6.047 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.731 -4.778 6.893 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.836 -6.714 6.436 1.00 1.46 C ATOM 202 CE1 HIS A 13 6.219 -5.647 7.758 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.693 -6.834 7.497 1.00 1.80 N ATOM 0 H HIS A 13 3.728 -3.018 7.240 1.00 0.70 H new ATOM 0 HA HIS A 13 2.589 -3.237 4.533 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.645 -5.453 4.303 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.815 -4.149 4.344 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.255 -7.508 5.990 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.926 -5.428 8.544 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.893 -7.696 8.003 1.00 1.80 H new ATOM 212 N ASP A 14 0.656 -4.340 5.583 1.00 0.60 N ATOM 213 CA ASP A 14 -0.522 -5.007 6.130 1.00 0.69 C ATOM 214 C ASP A 14 -1.451 -5.473 5.024 1.00 0.61 C ATOM 215 O ASP A 14 -1.570 -4.830 3.986 1.00 0.86 O ATOM 216 CB ASP A 14 -1.297 -4.075 7.069 1.00 0.83 C ATOM 217 CG ASP A 14 -0.838 -4.171 8.498 1.00 1.31 C ATOM 218 OD1 ASP A 14 0.226 -3.611 8.839 1.00 2.03 O ATOM 219 OD2 ASP A 14 -1.536 -4.837 9.294 1.00 1.78 O ATOM 0 H ASP A 14 0.463 -3.758 4.768 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.167 -5.872 6.690 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.186 -3.047 6.725 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.359 -4.316 7.017 1.00 0.83 H new ATOM 224 N ALA A 15 -2.117 -6.584 5.259 1.00 0.75 N ATOM 225 CA ALA A 15 -3.047 -7.128 4.293 1.00 0.71 C ATOM 226 C ALA A 15 -4.415 -6.461 4.438 1.00 0.68 C ATOM 227 O ALA A 15 -4.929 -6.315 5.544 1.00 0.88 O ATOM 228 CB ALA A 15 -3.152 -8.633 4.450 1.00 0.84 C ATOM 0 H ALA A 15 -2.030 -7.130 6.116 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.675 -6.919 3.290 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.855 -9.027 3.716 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.172 -9.084 4.293 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.504 -8.870 5.454 1.00 0.84 H new ATOM 234 N PHE A 16 -4.979 -6.027 3.316 1.00 0.60 N ATOM 235 CA PHE A 16 -6.279 -5.358 3.314 1.00 0.67 C ATOM 236 C PHE A 16 -7.217 -5.989 2.290 1.00 0.68 C ATOM 237 O PHE A 16 -7.110 -5.714 1.096 1.00 1.00 O ATOM 238 CB PHE A 16 -6.120 -3.866 2.960 1.00 0.77 C ATOM 239 CG PHE A 16 -5.313 -3.053 3.932 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.302 -3.356 5.286 1.00 1.74 C ATOM 241 CD2 PHE A 16 -4.567 -1.964 3.494 1.00 1.83 C ATOM 242 CE1 PHE A 16 -4.553 -2.608 6.172 1.00 2.26 C ATOM 243 CE2 PHE A 16 -3.814 -1.208 4.378 1.00 2.36 C ATOM 244 CZ PHE A 16 -3.813 -1.528 5.723 1.00 2.35 C ATOM 0 H PHE A 16 -4.556 -6.126 2.393 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.699 -5.465 4.314 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.655 -3.791 1.977 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.112 -3.422 2.878 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -5.887 -4.187 5.651 1.00 1.74 H new ATOM 0 HD2 PHE A 16 -4.575 -1.703 2.446 1.00 1.83 H new ATOM 0 HE1 PHE A 16 -4.544 -2.867 7.221 1.00 2.26 H new ATOM 0 HE2 PHE A 16 -3.231 -0.373 4.018 1.00 2.36 H new ATOM 0 HZ PHE A 16 -3.237 -0.938 6.420 1.00 2.35 H new ATOM 254 N GLN A 17 -8.113 -6.838 2.748 1.00 0.59 N ATOM 255 CA GLN A 17 -9.044 -7.476 1.843 1.00 0.60 C ATOM 256 C GLN A 17 -10.139 -6.483 1.489 1.00 0.64 C ATOM 257 O GLN A 17 -10.881 -6.005 2.353 1.00 0.95 O ATOM 258 CB GLN A 17 -9.630 -8.768 2.414 1.00 0.74 C ATOM 259 CG GLN A 17 -10.509 -8.583 3.644 1.00 1.07 C ATOM 260 CD GLN A 17 -11.417 -9.768 3.885 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.323 -10.777 3.037 1.00 1.81 O flip ATOM 262 NE2 GLN A 17 -12.204 -9.771 4.823 1.00 1.63 N flip ATOM 0 H GLN A 17 -8.216 -7.100 3.729 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.504 -7.769 0.943 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -10.216 -9.259 1.637 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -8.811 -9.440 2.668 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -9.878 -8.428 4.519 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -11.113 -7.684 3.524 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -12.246 -8.972 5.456 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.817 -10.572 4.972 1.00 1.63 H new ATOM 271 N VAL A 18 -10.174 -6.102 0.224 1.00 0.51 N ATOM 272 CA VAL A 18 -11.116 -5.107 -0.237 1.00 0.59 C ATOM 273 C VAL A 18 -11.114 -4.997 -1.768 1.00 0.60 C ATOM 274 O VAL A 18 -10.178 -5.426 -2.429 1.00 1.04 O ATOM 275 CB VAL A 18 -10.703 -3.762 0.391 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.226 -3.551 0.124 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.522 -2.589 -0.118 1.00 1.24 C ATOM 0 H VAL A 18 -9.558 -6.470 -0.501 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.126 -5.388 0.060 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.898 -3.807 1.462 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.909 -2.603 0.560 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.655 -4.365 0.571 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.050 -3.533 -0.951 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.182 -1.672 0.363 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.399 -2.500 -1.197 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.574 -2.752 0.115 1.00 1.24 H new ATOM 287 N TRP A 19 -12.203 -4.462 -2.305 1.00 0.63 N ATOM 288 CA TRP A 19 -12.393 -4.276 -3.739 1.00 0.65 C ATOM 289 C TRP A 19 -11.318 -3.406 -4.376 1.00 0.68 C ATOM 290 O TRP A 19 -11.267 -2.194 -4.147 1.00 1.04 O ATOM 291 CB TRP A 19 -13.750 -3.608 -3.977 1.00 0.72 C ATOM 292 CG TRP A 19 -14.877 -4.175 -3.165 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.782 -5.126 -3.549 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.193 -3.849 -1.812 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.679 -5.354 -2.538 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.345 -4.578 -1.462 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.647 -2.960 -0.875 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.921 -4.492 -0.192 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.216 -2.879 0.378 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.366 -3.609 0.697 1.00 0.96 C ATOM 0 H TRP A 19 -12.993 -4.139 -1.747 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.337 -5.263 -4.198 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.660 -2.544 -3.756 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.002 -3.694 -5.034 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.789 -5.624 -4.507 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.468 -5.998 -2.581 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.794 -2.349 -1.131 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.772 -5.099 0.079 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.767 -2.242 1.125 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.826 -3.474 1.665 1.00 0.96 H new ATOM 311 N GLU A 20 -10.486 -3.995 -5.206 1.00 0.69 N ATOM 312 CA GLU A 20 -9.465 -3.239 -5.905 1.00 0.77 C ATOM 313 C GLU A 20 -9.986 -2.880 -7.280 1.00 1.18 C ATOM 314 O GLU A 20 -9.260 -2.812 -8.271 1.00 1.81 O ATOM 315 CB GLU A 20 -8.167 -4.024 -5.992 1.00 1.04 C ATOM 316 CG GLU A 20 -8.196 -5.267 -6.875 1.00 1.26 C ATOM 317 CD GLU A 20 -8.722 -6.497 -6.162 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.987 -6.408 -4.946 1.00 2.62 O ATOM 319 OE2 GLU A 20 -8.822 -7.557 -6.811 1.00 2.42 O ATOM 0 H GLU A 20 -10.494 -4.993 -5.415 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.244 -2.325 -5.353 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.387 -3.358 -6.361 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.879 -4.325 -4.985 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.817 -5.069 -7.749 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.189 -5.469 -7.239 1.00 1.26 H new ATOM 326 N GLY A 21 -11.276 -2.646 -7.296 1.00 1.49 N ATOM 327 CA GLY A 21 -11.986 -2.311 -8.511 1.00 1.95 C ATOM 328 C GLY A 21 -12.110 -3.491 -9.453 1.00 2.05 C ATOM 329 O GLY A 21 -12.004 -4.642 -9.028 1.00 2.48 O ATOM 0 H GLY A 21 -11.867 -2.682 -6.465 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.981 -1.946 -8.258 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.468 -1.498 -9.019 1.00 1.95 H new ATOM 333 N ASP A 22 -12.364 -3.183 -10.726 1.00 2.34 N ATOM 334 CA ASP A 22 -12.517 -4.182 -11.793 1.00 2.75 C ATOM 335 C ASP A 22 -13.788 -5.030 -11.641 1.00 2.43 C ATOM 336 O ASP A 22 -14.460 -5.267 -12.641 1.00 2.85 O ATOM 337 CB ASP A 22 -11.282 -5.081 -11.909 1.00 3.62 C ATOM 338 CG ASP A 22 -11.349 -6.015 -13.106 1.00 4.19 C ATOM 339 OD1 ASP A 22 -11.517 -5.520 -14.239 1.00 4.65 O ATOM 340 OD2 ASP A 22 -11.205 -7.241 -12.926 1.00 4.60 O ATOM 0 H ASP A 22 -12.471 -2.222 -11.052 1.00 2.34 H new ATOM 0 HA ASP A 22 -12.619 -3.615 -12.718 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -10.390 -4.459 -11.988 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -11.180 -5.671 -10.998 1.00 3.62 H new ATOM 345 N GLU A 23 -14.126 -5.454 -10.417 1.00 2.07 N ATOM 346 CA GLU A 23 -15.330 -6.249 -10.175 1.00 2.37 C ATOM 347 C GLU A 23 -15.406 -6.762 -8.721 1.00 1.70 C ATOM 348 O GLU A 23 -16.277 -6.340 -7.956 1.00 1.86 O ATOM 349 CB GLU A 23 -15.401 -7.420 -11.158 1.00 3.34 C ATOM 350 CG GLU A 23 -16.626 -8.290 -11.022 1.00 4.22 C ATOM 351 CD GLU A 23 -16.635 -9.437 -12.003 1.00 5.12 C ATOM 352 OE1 GLU A 23 -15.744 -10.312 -11.916 1.00 5.78 O ATOM 353 OE2 GLU A 23 -17.535 -9.477 -12.865 1.00 5.52 O ATOM 0 H GLU A 23 -13.579 -5.258 -9.579 1.00 2.07 H new ATOM 0 HA GLU A 23 -16.188 -5.596 -10.333 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -15.364 -7.026 -12.174 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -14.515 -8.041 -11.025 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -16.676 -8.684 -10.007 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -17.518 -7.681 -11.172 1.00 4.22 H new ATOM 360 N PRO A 24 -14.557 -7.741 -8.305 1.00 1.42 N ATOM 361 CA PRO A 24 -14.617 -8.321 -6.972 1.00 1.17 C ATOM 362 C PRO A 24 -13.499 -7.901 -6.022 1.00 0.97 C ATOM 363 O PRO A 24 -12.473 -7.347 -6.442 1.00 1.08 O ATOM 364 CB PRO A 24 -14.468 -9.807 -7.307 1.00 1.65 C ATOM 365 CG PRO A 24 -13.562 -9.844 -8.514 1.00 2.09 C ATOM 366 CD PRO A 24 -13.506 -8.423 -9.073 1.00 2.00 C ATOM 0 HA PRO A 24 -15.518 -8.014 -6.442 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.036 -10.359 -6.472 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.434 -10.262 -7.524 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.566 -10.190 -8.238 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -13.944 -10.538 -9.262 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.529 -7.965 -8.921 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -13.705 -8.400 -10.144 1.00 2.00 H new ATOM 374 N PRO A 25 -13.654 -8.216 -4.724 1.00 0.88 N ATOM 375 CA PRO A 25 -12.649 -7.921 -3.724 1.00 0.77 C ATOM 376 C PRO A 25 -11.674 -9.092 -3.573 1.00 0.74 C ATOM 377 O PRO A 25 -12.059 -10.255 -3.734 1.00 0.92 O ATOM 378 CB PRO A 25 -13.472 -7.718 -2.465 1.00 0.92 C ATOM 379 CG PRO A 25 -14.711 -8.544 -2.655 1.00 1.08 C ATOM 380 CD PRO A 25 -14.811 -8.900 -4.124 1.00 1.09 C ATOM 0 HA PRO A 25 -12.029 -7.058 -3.970 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -12.920 -8.037 -1.581 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.720 -6.666 -2.324 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.665 -9.447 -2.046 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.593 -7.988 -2.336 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.765 -9.978 -4.280 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.750 -8.555 -4.557 1.00 1.09 H new ATOM 388 N LYS A 26 -10.418 -8.792 -3.307 1.00 0.65 N ATOM 389 CA LYS A 26 -9.415 -9.836 -3.198 1.00 0.73 C ATOM 390 C LYS A 26 -8.831 -9.924 -1.791 1.00 0.66 C ATOM 391 O LYS A 26 -9.415 -9.461 -0.820 1.00 0.88 O ATOM 392 CB LYS A 26 -8.295 -9.591 -4.214 1.00 0.95 C ATOM 393 CG LYS A 26 -7.970 -10.781 -5.096 1.00 1.34 C ATOM 394 CD LYS A 26 -9.179 -11.252 -5.894 1.00 1.42 C ATOM 395 CE LYS A 26 -8.762 -12.179 -7.032 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.906 -12.948 -7.583 1.00 2.20 N ATOM 0 H LYS A 26 -10.069 -7.844 -3.163 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.904 -10.786 -3.411 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.576 -8.751 -4.849 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.393 -9.297 -3.677 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -7.166 -10.514 -5.782 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -7.603 -11.600 -4.478 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.874 -11.772 -5.234 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.709 -10.390 -6.299 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.306 -11.590 -7.828 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.001 -12.872 -6.672 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.645 -13.952 -7.660 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -10.726 -12.851 -6.951 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -10.150 -12.580 -8.525 1.00 2.20 H new ATOM 410 N LEU A 27 -7.621 -10.463 -1.723 1.00 0.67 N ATOM 411 CA LEU A 27 -6.869 -10.599 -0.488 1.00 0.65 C ATOM 412 C LEU A 27 -5.463 -10.122 -0.797 1.00 0.67 C ATOM 413 O LEU A 27 -4.548 -10.913 -1.014 1.00 1.02 O ATOM 414 CB LEU A 27 -6.849 -12.059 -0.041 1.00 0.76 C ATOM 415 CG LEU A 27 -6.742 -12.311 1.467 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.638 -11.486 2.110 1.00 1.31 C ATOM 417 CD2 LEU A 27 -8.063 -12.004 2.141 1.00 1.23 C ATOM 0 H LEU A 27 -7.128 -10.823 -2.540 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.317 -10.018 0.319 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.758 -12.539 -0.404 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.010 -12.554 -0.530 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.492 -13.363 1.601 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.600 -11.698 3.178 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -4.681 -11.742 1.655 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -5.840 -10.426 1.958 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -7.976 -12.186 3.212 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -8.324 -10.960 1.971 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -8.841 -12.645 1.726 1.00 1.23 H new ATOM 429 N ARG A 28 -5.322 -8.820 -0.894 1.00 0.57 N ATOM 430 CA ARG A 28 -4.050 -8.214 -1.255 1.00 0.59 C ATOM 431 C ARG A 28 -3.286 -7.694 -0.056 1.00 0.55 C ATOM 432 O ARG A 28 -3.784 -6.832 0.685 1.00 0.64 O ATOM 433 CB ARG A 28 -4.296 -7.071 -2.220 1.00 0.71 C ATOM 434 CG ARG A 28 -5.105 -7.471 -3.428 1.00 1.41 C ATOM 435 CD ARG A 28 -5.459 -6.270 -4.301 1.00 1.72 C ATOM 436 NE ARG A 28 -6.663 -5.576 -3.837 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.699 -4.704 -2.822 1.00 2.42 C ATOM 438 NH1 ARG A 28 -5.572 -4.212 -2.320 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.841 -4.098 -2.538 1.00 3.18 N ATOM 0 H ARG A 28 -6.075 -8.152 -0.728 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.442 -8.992 -1.716 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.813 -6.267 -1.696 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.337 -6.671 -2.550 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.543 -8.195 -4.018 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -6.020 -7.966 -3.104 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -4.622 -5.572 -4.310 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.608 -6.603 -5.328 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.538 -5.772 -4.323 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -4.673 -4.498 -2.708 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -5.605 -3.548 -1.547 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.676 -4.298 -3.089 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -7.886 -3.431 -1.768 1.00 3.18 H new ATOM 453 N TYR A 29 -2.069 -8.165 0.095 1.00 0.55 N ATOM 454 CA TYR A 29 -1.207 -7.711 1.150 1.00 0.59 C ATOM 455 C TYR A 29 -0.572 -6.396 0.712 1.00 0.55 C ATOM 456 O TYR A 29 0.278 -6.374 -0.182 1.00 0.70 O ATOM 457 CB TYR A 29 -0.125 -8.748 1.442 1.00 0.71 C ATOM 458 CG TYR A 29 -0.632 -10.033 2.048 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.521 -10.847 1.367 1.00 1.38 C ATOM 460 CD2 TYR A 29 -0.204 -10.432 3.304 1.00 1.46 C ATOM 461 CE1 TYR A 29 -1.961 -12.035 1.912 1.00 1.55 C ATOM 462 CE2 TYR A 29 -0.646 -11.620 3.868 1.00 1.63 C ATOM 463 CZ TYR A 29 -1.532 -12.410 3.168 1.00 1.26 C ATOM 464 OH TYR A 29 -1.969 -13.590 3.705 1.00 1.58 O ATOM 0 H TYR A 29 -1.654 -8.872 -0.512 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.784 -7.565 2.063 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.396 -8.981 0.513 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.608 -8.308 2.118 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.876 -10.547 0.392 1.00 1.38 H new ATOM 0 HD2 TYR A 29 0.485 -9.808 3.853 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -2.638 -12.668 1.358 1.00 1.55 H new ATOM 0 HE2 TYR A 29 -0.299 -11.922 4.845 1.00 1.63 H new ATOM 0 HH TYR A 29 -1.575 -13.710 4.594 1.00 1.58 H new ATOM 474 N VAL A 30 -0.993 -5.306 1.310 1.00 0.48 N ATOM 475 CA VAL A 30 -0.474 -4.001 0.973 1.00 0.48 C ATOM 476 C VAL A 30 0.846 -3.785 1.692 1.00 0.49 C ATOM 477 O VAL A 30 0.926 -3.905 2.914 1.00 0.59 O ATOM 478 CB VAL A 30 -1.491 -2.908 1.330 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.925 -1.541 1.026 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.791 -3.120 0.564 1.00 0.65 C ATOM 0 H VAL A 30 -1.703 -5.299 2.042 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.299 -3.945 -0.101 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.701 -2.969 2.398 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.659 -0.778 1.285 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.018 -1.385 1.609 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.690 -1.473 -0.036 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.501 -2.337 0.829 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.592 -3.083 -0.507 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.211 -4.092 0.822 1.00 0.65 H new ATOM 490 N PHE A 31 1.873 -3.450 0.922 1.00 0.49 N ATOM 491 CA PHE A 31 3.205 -3.217 1.469 1.00 0.54 C ATOM 492 C PHE A 31 3.698 -1.830 1.059 1.00 0.52 C ATOM 493 O PHE A 31 3.801 -1.524 -0.124 1.00 0.56 O ATOM 494 CB PHE A 31 4.234 -4.254 0.964 1.00 0.61 C ATOM 495 CG PHE A 31 4.062 -5.681 1.441 1.00 0.61 C ATOM 496 CD1 PHE A 31 2.907 -6.103 2.063 1.00 1.44 C ATOM 497 CD2 PHE A 31 5.081 -6.605 1.258 1.00 1.22 C ATOM 498 CE1 PHE A 31 2.753 -7.404 2.485 1.00 1.49 C ATOM 499 CE2 PHE A 31 4.932 -7.915 1.682 1.00 1.30 C ATOM 500 CZ PHE A 31 3.767 -8.311 2.295 1.00 0.85 C ATOM 0 H PHE A 31 1.809 -3.333 -0.089 1.00 0.49 H new ATOM 0 HA PHE A 31 3.121 -3.303 2.552 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.207 -4.255 -0.126 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.228 -3.916 1.258 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.105 -5.397 2.223 1.00 1.44 H new ATOM 0 HD2 PHE A 31 6.000 -6.299 0.780 1.00 1.22 H new ATOM 0 HE1 PHE A 31 1.836 -7.711 2.965 1.00 1.49 H new ATOM 0 HE2 PHE A 31 5.731 -8.626 1.531 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.649 -9.332 2.626 1.00 0.85 H new ATOM 510 N LEU A 32 4.060 -1.010 2.014 1.00 0.57 N ATOM 511 CA LEU A 32 4.603 0.294 1.668 1.00 0.59 C ATOM 512 C LEU A 32 6.099 0.275 1.945 1.00 0.67 C ATOM 513 O LEU A 32 6.523 0.186 3.101 1.00 0.84 O ATOM 514 CB LEU A 32 3.954 1.449 2.426 1.00 0.74 C ATOM 515 CG LEU A 32 2.538 1.239 2.955 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.116 2.439 3.792 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.552 1.017 1.818 1.00 1.43 C ATOM 0 H LEU A 32 3.994 -1.207 3.013 1.00 0.57 H new ATOM 0 HA LEU A 32 4.391 0.469 0.613 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.595 1.698 3.272 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.942 2.318 1.768 1.00 0.74 H new ATOM 0 HG LEU A 32 2.535 0.345 3.579 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.104 2.283 4.167 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.801 2.555 4.632 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.141 3.338 3.177 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.552 0.870 2.227 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.552 1.887 1.162 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.845 0.134 1.250 1.00 1.43 H new ATOM 529 N PHE A 33 6.897 0.322 0.899 1.00 0.75 N ATOM 530 CA PHE A 33 8.343 0.264 1.057 1.00 0.96 C ATOM 531 C PHE A 33 9.078 1.221 0.113 1.00 1.08 C ATOM 532 O PHE A 33 9.253 0.930 -1.072 1.00 1.56 O ATOM 533 CB PHE A 33 8.869 -1.153 0.814 1.00 1.17 C ATOM 534 CG PHE A 33 8.527 -2.156 1.880 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.252 -2.697 1.961 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.471 -2.535 2.812 1.00 2.01 C ATOM 537 CE1 PHE A 33 6.942 -3.622 2.939 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.168 -3.464 3.793 1.00 2.28 C ATOM 539 CZ PHE A 33 7.897 -3.999 3.860 1.00 2.01 C ATOM 0 H PHE A 33 6.576 0.400 -0.066 1.00 0.75 H new ATOM 0 HA PHE A 33 8.541 0.568 2.085 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.476 -1.511 -0.138 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.954 -1.108 0.715 1.00 1.17 H new ATOM 0 HD1 PHE A 33 6.495 -2.392 1.253 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.459 -2.101 2.776 1.00 2.01 H new ATOM 0 HE1 PHE A 33 5.951 -4.050 2.982 1.00 2.06 H new ATOM 0 HE2 PHE A 33 9.923 -3.769 4.503 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.651 -4.712 4.633 1.00 2.01 H new ATOM 549 N ARG A 34 9.543 2.333 0.663 1.00 1.04 N ATOM 550 CA ARG A 34 10.321 3.331 -0.079 1.00 1.17 C ATOM 551 C ARG A 34 9.568 3.966 -1.241 1.00 1.03 C ATOM 552 O ARG A 34 9.630 3.496 -2.383 1.00 1.87 O ATOM 553 CB ARG A 34 11.643 2.715 -0.550 1.00 1.83 C ATOM 554 CG ARG A 34 12.531 2.285 0.626 1.00 2.51 C ATOM 555 CD ARG A 34 13.750 1.483 0.197 1.00 3.05 C ATOM 556 NE ARG A 34 13.373 0.209 -0.427 1.00 3.66 N ATOM 557 CZ ARG A 34 14.249 -0.732 -0.742 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.530 -0.564 -0.457 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.847 -1.838 -1.343 1.00 5.12 N ATOM 0 H ARG A 34 9.394 2.576 1.642 1.00 1.04 H new ATOM 0 HA ARG A 34 10.520 4.148 0.614 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.435 1.851 -1.182 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.180 3.437 -1.164 1.00 1.83 H new ATOM 0 HG2 ARG A 34 12.860 3.172 1.167 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.939 1.689 1.321 1.00 2.51 H new ATOM 0 HD2 ARG A 34 14.343 2.070 -0.505 1.00 3.05 H new ATOM 0 HD3 ARG A 34 14.382 1.290 1.064 1.00 3.05 H new ATOM 0 HE ARG A 34 12.387 0.040 -0.628 1.00 3.66 H new ATOM 0 HH11 ARG A 34 15.842 0.290 0.005 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.206 -1.289 -0.699 1.00 4.48 H new ATOM 0 HH21 ARG A 34 12.860 -1.968 -1.565 1.00 5.12 H new ATOM 0 HH22 ARG A 34 14.524 -2.562 -1.585 1.00 5.12 H new ATOM 573 N ASN A 35 8.917 5.079 -0.922 1.00 0.98 N ATOM 574 CA ASN A 35 8.180 5.900 -1.891 1.00 1.38 C ATOM 575 C ASN A 35 7.177 5.114 -2.751 1.00 1.09 C ATOM 576 O ASN A 35 6.928 5.479 -3.905 1.00 1.24 O ATOM 577 CB ASN A 35 9.199 6.612 -2.805 1.00 2.08 C ATOM 578 CG ASN A 35 8.618 7.779 -3.584 1.00 2.84 C ATOM 579 OD1 ASN A 35 7.639 8.449 -3.006 1.00 3.26 O flip ATOM 580 ND2 ASN A 35 9.071 8.107 -4.686 1.00 3.64 N flip ATOM 0 H ASN A 35 8.882 5.446 0.029 1.00 0.98 H new ATOM 0 HA ASN A 35 7.585 6.610 -1.317 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.029 6.971 -2.196 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.610 5.887 -3.508 1.00 2.08 H new ATOM 0 HD21 ASN A 35 9.828 7.569 -5.107 1.00 3.64 H new ATOM 0 HD22 ASN A 35 8.688 8.916 -5.175 1.00 3.64 H new ATOM 587 N LYS A 36 6.559 4.067 -2.217 1.00 0.89 N ATOM 588 CA LYS A 36 5.575 3.321 -3.007 1.00 0.69 C ATOM 589 C LYS A 36 4.779 2.320 -2.187 1.00 0.66 C ATOM 590 O LYS A 36 5.135 1.984 -1.052 1.00 0.77 O ATOM 591 CB LYS A 36 6.256 2.576 -4.150 1.00 0.80 C ATOM 592 CG LYS A 36 7.227 1.525 -3.671 1.00 1.05 C ATOM 593 CD LYS A 36 7.883 0.801 -4.822 1.00 1.32 C ATOM 594 CE LYS A 36 9.007 -0.070 -4.317 1.00 1.84 C ATOM 595 NZ LYS A 36 10.089 0.736 -3.678 1.00 2.23 N ATOM 0 H LYS A 36 6.711 3.720 -1.270 1.00 0.89 H new ATOM 0 HA LYS A 36 4.880 4.068 -3.392 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.496 2.104 -4.773 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.785 3.292 -4.779 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.993 1.993 -3.052 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.703 0.806 -3.041 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.146 0.190 -5.344 1.00 1.32 H new ATOM 0 HD3 LYS A 36 8.268 1.522 -5.543 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.615 -0.788 -3.597 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.422 -0.644 -5.145 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.971 0.186 -3.667 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 10.234 1.612 -4.219 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 9.816 0.972 -2.703 1.00 2.23 H new ATOM 609 N ILE A 37 3.709 1.835 -2.808 1.00 0.61 N ATOM 610 CA ILE A 37 2.818 0.844 -2.238 1.00 0.60 C ATOM 611 C ILE A 37 2.788 -0.392 -3.142 1.00 0.54 C ATOM 612 O ILE A 37 2.232 -0.357 -4.245 1.00 0.75 O ATOM 613 CB ILE A 37 1.388 1.408 -2.119 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.378 2.691 -1.276 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.459 0.370 -1.507 1.00 0.79 C ATOM 616 CD1 ILE A 37 -0.001 3.225 -1.007 1.00 1.01 C ATOM 0 H ILE A 37 3.435 2.131 -3.745 1.00 0.61 H new ATOM 0 HA ILE A 37 3.182 0.578 -1.245 1.00 0.60 H new ATOM 0 HB ILE A 37 1.032 1.651 -3.120 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.874 2.495 -0.325 1.00 0.85 H new ATOM 0 HG13 ILE A 37 1.961 3.456 -1.788 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.547 0.783 -1.429 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.439 -0.518 -2.139 1.00 0.79 H new ATOM 0 HG23 ILE A 37 0.818 0.101 -0.514 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.071 4.132 -0.406 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.493 3.454 -1.952 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.582 2.477 -0.467 1.00 1.01 H new ATOM 628 N MET A 38 3.390 -1.479 -2.691 1.00 0.51 N ATOM 629 CA MET A 38 3.424 -2.705 -3.465 1.00 0.59 C ATOM 630 C MET A 38 2.500 -3.723 -2.830 1.00 0.60 C ATOM 631 O MET A 38 2.769 -4.225 -1.747 1.00 0.98 O ATOM 632 CB MET A 38 4.841 -3.279 -3.541 1.00 0.75 C ATOM 633 CG MET A 38 4.921 -4.526 -4.395 1.00 1.40 C ATOM 634 SD MET A 38 6.589 -5.193 -4.498 1.00 1.72 S ATOM 635 CE MET A 38 7.463 -3.778 -5.151 1.00 2.53 C ATOM 0 H MET A 38 3.863 -1.536 -1.789 1.00 0.51 H new ATOM 0 HA MET A 38 3.096 -2.478 -4.479 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.514 -2.523 -3.946 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.190 -3.510 -2.534 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.255 -5.285 -3.985 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.563 -4.297 -5.399 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.382 -4.109 -5.634 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.834 -3.267 -5.880 1.00 2.53 H new ATOM 0 HE3 MET A 38 7.706 -3.094 -4.338 1.00 2.53 H new ATOM 645 N PHE A 39 1.411 -4.034 -3.493 1.00 0.61 N ATOM 646 CA PHE A 39 0.471 -5.001 -2.954 1.00 0.71 C ATOM 647 C PHE A 39 0.241 -6.123 -3.963 1.00 0.72 C ATOM 648 O PHE A 39 -0.189 -5.877 -5.086 1.00 1.08 O ATOM 649 CB PHE A 39 -0.854 -4.320 -2.569 1.00 1.11 C ATOM 650 CG PHE A 39 -1.589 -3.678 -3.724 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.029 -2.608 -4.404 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.808 -4.175 -4.141 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.674 -2.048 -5.483 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.469 -3.606 -5.226 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.885 -2.543 -5.894 1.00 1.57 C ATOM 0 H PHE A 39 1.152 -3.639 -4.397 1.00 0.61 H new ATOM 0 HA PHE A 39 0.894 -5.434 -2.047 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.507 -5.060 -2.106 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.651 -3.558 -1.816 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.077 -2.210 -4.084 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.252 -5.011 -3.622 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.226 -1.217 -6.007 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.427 -3.990 -5.543 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.386 -2.102 -6.743 1.00 1.57 H new ATOM 665 N THR A 40 0.561 -7.335 -3.547 1.00 0.63 N ATOM 666 CA THR A 40 0.397 -8.508 -4.391 1.00 0.74 C ATOM 667 C THR A 40 -0.960 -9.159 -4.131 1.00 0.84 C ATOM 668 O THR A 40 -1.372 -9.327 -2.973 1.00 1.16 O ATOM 669 CB THR A 40 1.529 -9.488 -4.117 1.00 0.98 C ATOM 670 OG1 THR A 40 1.724 -9.630 -2.726 1.00 1.45 O ATOM 671 CG2 THR A 40 2.840 -9.065 -4.730 1.00 1.35 C ATOM 0 H THR A 40 0.940 -7.535 -2.621 1.00 0.63 H new ATOM 0 HA THR A 40 0.433 -8.211 -5.439 1.00 0.74 H new ATOM 0 HB THR A 40 1.227 -10.431 -4.573 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.453 -10.264 -2.561 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.606 -9.805 -4.498 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.727 -8.986 -5.811 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.136 -8.098 -4.324 1.00 1.35 H new ATOM 679 N GLU A 41 -1.673 -9.495 -5.199 1.00 1.04 N ATOM 680 CA GLU A 41 -2.983 -10.097 -5.074 1.00 1.27 C ATOM 681 C GLU A 41 -2.885 -11.595 -4.783 1.00 1.20 C ATOM 682 O GLU A 41 -2.409 -12.369 -5.613 1.00 1.66 O ATOM 683 CB GLU A 41 -3.811 -9.880 -6.348 1.00 1.89 C ATOM 684 CG GLU A 41 -3.830 -8.447 -6.853 1.00 2.55 C ATOM 685 CD GLU A 41 -2.824 -8.209 -7.965 1.00 3.05 C ATOM 686 OE1 GLU A 41 -1.609 -8.328 -7.718 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.260 -7.910 -9.101 1.00 3.46 O ATOM 0 H GLU A 41 -1.360 -9.358 -6.160 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.480 -9.609 -4.235 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.418 -10.524 -7.135 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.836 -10.198 -6.158 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.830 -8.206 -7.214 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.618 -7.771 -6.025 1.00 2.55 H new ATOM 694 N GLN A 42 -3.363 -11.997 -3.617 1.00 1.08 N ATOM 695 CA GLN A 42 -3.370 -13.398 -3.220 1.00 1.24 C ATOM 696 C GLN A 42 -4.802 -13.915 -3.283 1.00 1.37 C ATOM 697 O GLN A 42 -5.617 -13.620 -2.413 1.00 1.84 O ATOM 698 CB GLN A 42 -2.790 -13.548 -1.807 1.00 1.58 C ATOM 699 CG GLN A 42 -2.645 -14.980 -1.345 1.00 2.34 C ATOM 700 CD GLN A 42 -1.866 -15.063 -0.051 1.00 2.87 C ATOM 701 OE1 GLN A 42 -0.706 -14.658 0.024 1.00 3.26 O ATOM 702 NE2 GLN A 42 -2.495 -15.568 0.997 1.00 3.46 N ATOM 0 H GLN A 42 -3.756 -11.365 -2.920 1.00 1.08 H new ATOM 0 HA GLN A 42 -2.748 -13.984 -3.897 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.812 -13.067 -1.775 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.431 -13.015 -1.105 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -3.632 -15.422 -1.207 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.139 -15.563 -2.115 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -3.456 -15.896 0.905 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -2.019 -15.629 1.897 1.00 3.46 H new ATOM 711 N ASP A 43 -5.127 -14.647 -4.337 1.00 1.32 N ATOM 712 CA ASP A 43 -6.485 -15.156 -4.492 1.00 1.60 C ATOM 713 C ASP A 43 -6.603 -16.612 -4.059 1.00 1.62 C ATOM 714 O ASP A 43 -6.042 -17.520 -4.679 1.00 1.97 O ATOM 715 CB ASP A 43 -6.968 -15.024 -5.932 1.00 2.08 C ATOM 716 CG ASP A 43 -8.419 -15.454 -6.098 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.080 -15.776 -5.089 1.00 2.87 O ATOM 718 OD2 ASP A 43 -8.913 -15.438 -7.243 1.00 2.96 O ATOM 0 H ASP A 43 -4.484 -14.900 -5.087 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.114 -14.547 -3.843 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.859 -13.989 -6.256 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.336 -15.629 -6.582 1.00 2.08 H new ATOM 723 N ALA A 44 -7.369 -16.810 -2.999 1.00 1.87 N ATOM 724 CA ALA A 44 -7.640 -18.122 -2.455 1.00 2.28 C ATOM 725 C ALA A 44 -9.143 -18.289 -2.263 1.00 2.75 C ATOM 726 O ALA A 44 -9.600 -19.234 -1.611 1.00 3.39 O ATOM 727 CB ALA A 44 -6.905 -18.321 -1.143 1.00 2.82 C ATOM 0 H ALA A 44 -7.824 -16.053 -2.489 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.283 -18.879 -3.153 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -7.123 -19.314 -0.751 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -5.832 -18.223 -1.309 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -7.231 -17.568 -0.425 1.00 2.82 H new ATOM 861 N TYR A 54 2.891 -8.218 -10.409 1.00 2.10 N ATOM 862 CA TYR A 54 3.107 -7.593 -9.122 1.00 2.00 C ATOM 863 C TYR A 54 2.668 -6.145 -9.178 1.00 1.62 C ATOM 864 O TYR A 54 3.336 -5.312 -9.795 1.00 1.96 O ATOM 865 CB TYR A 54 4.574 -7.693 -8.697 1.00 2.78 C ATOM 866 CG TYR A 54 4.985 -9.083 -8.270 1.00 3.45 C ATOM 867 CD1 TYR A 54 4.850 -10.158 -9.128 1.00 3.89 C ATOM 868 CD2 TYR A 54 5.511 -9.313 -7.008 1.00 4.24 C ATOM 869 CE1 TYR A 54 5.227 -11.426 -8.742 1.00 4.87 C ATOM 870 CE2 TYR A 54 5.889 -10.580 -6.609 1.00 5.15 C ATOM 871 CZ TYR A 54 5.742 -11.637 -7.477 1.00 5.40 C ATOM 872 OH TYR A 54 6.109 -12.901 -7.085 1.00 6.50 O ATOM 0 HA TYR A 54 2.511 -8.120 -8.377 1.00 2.00 H new ATOM 0 HB2 TYR A 54 5.206 -7.374 -9.526 1.00 2.78 H new ATOM 0 HB3 TYR A 54 4.754 -7.001 -7.874 1.00 2.78 H new ATOM 0 HD1 TYR A 54 4.443 -10.002 -10.116 1.00 3.89 H new ATOM 0 HD2 TYR A 54 5.627 -8.485 -6.324 1.00 4.24 H new ATOM 0 HE1 TYR A 54 5.120 -12.254 -9.427 1.00 4.87 H new ATOM 0 HE2 TYR A 54 6.297 -10.740 -5.622 1.00 5.15 H new ATOM 0 HH TYR A 54 6.452 -12.872 -6.168 1.00 6.50 H new ATOM 882 N SER A 55 1.537 -5.854 -8.564 1.00 1.34 N ATOM 883 CA SER A 55 1.002 -4.503 -8.576 1.00 1.50 C ATOM 884 C SER A 55 1.933 -3.546 -7.830 1.00 1.20 C ATOM 885 O SER A 55 2.508 -3.903 -6.797 1.00 1.33 O ATOM 886 CB SER A 55 -0.396 -4.486 -7.953 1.00 2.13 C ATOM 887 OG SER A 55 -1.130 -3.358 -8.383 1.00 2.61 O ATOM 0 H SER A 55 0.972 -6.531 -8.052 1.00 1.34 H new ATOM 0 HA SER A 55 0.929 -4.167 -9.611 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.930 -5.397 -8.225 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.313 -4.477 -6.866 1.00 2.13 H new ATOM 0 HG SER A 55 -1.582 -2.950 -7.615 1.00 2.61 H new ATOM 893 N SER A 56 2.112 -2.342 -8.378 1.00 1.07 N ATOM 894 CA SER A 56 2.984 -1.337 -7.774 1.00 0.91 C ATOM 895 C SER A 56 2.424 0.067 -7.987 1.00 0.80 C ATOM 896 O SER A 56 2.164 0.486 -9.117 1.00 0.93 O ATOM 897 CB SER A 56 4.395 -1.446 -8.370 1.00 1.09 C ATOM 898 OG SER A 56 4.906 -2.753 -8.210 1.00 1.73 O ATOM 0 H SER A 56 1.662 -2.040 -9.242 1.00 1.07 H new ATOM 0 HA SER A 56 3.035 -1.521 -6.701 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.369 -1.188 -9.429 1.00 1.09 H new ATOM 0 HB3 SER A 56 5.057 -0.730 -7.883 1.00 1.09 H new ATOM 0 HG SER A 56 5.805 -2.803 -8.597 1.00 1.73 H new ATOM 904 N ILE A 57 2.227 0.784 -6.889 1.00 0.68 N ATOM 905 CA ILE A 57 1.688 2.141 -6.927 1.00 0.67 C ATOM 906 C ILE A 57 2.690 3.106 -6.298 1.00 0.63 C ATOM 907 O ILE A 57 3.057 2.935 -5.136 1.00 0.81 O ATOM 908 CB ILE A 57 0.323 2.227 -6.173 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.746 1.442 -6.932 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.122 3.674 -5.960 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.080 2.032 -8.292 1.00 0.81 C ATOM 0 H ILE A 57 2.435 0.445 -5.950 1.00 0.68 H new ATOM 0 HA ILE A 57 1.517 2.415 -7.968 1.00 0.67 H new ATOM 0 HB ILE A 57 0.460 1.784 -5.187 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.406 0.415 -7.064 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.653 1.403 -6.329 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.076 3.687 -5.432 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.627 4.202 -5.370 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.235 4.166 -6.926 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -1.846 1.424 -8.774 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.450 3.049 -8.166 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.184 2.046 -8.912 1.00 0.81 H new ATOM 923 N ARG A 58 3.135 4.105 -7.051 1.00 0.66 N ATOM 924 CA ARG A 58 4.094 5.061 -6.510 1.00 0.73 C ATOM 925 C ARG A 58 3.358 6.132 -5.710 1.00 0.75 C ATOM 926 O ARG A 58 2.452 6.793 -6.215 1.00 0.91 O ATOM 927 CB ARG A 58 4.993 5.670 -7.607 1.00 0.96 C ATOM 928 CG ARG A 58 4.346 6.768 -8.448 1.00 1.24 C ATOM 929 CD ARG A 58 3.198 6.251 -9.291 1.00 1.86 C ATOM 930 NE ARG A 58 2.782 7.239 -10.291 1.00 2.47 N ATOM 931 CZ ARG A 58 1.707 7.126 -11.063 1.00 2.95 C ATOM 932 NH1 ARG A 58 1.002 6.007 -11.049 1.00 3.22 N ATOM 933 NH2 ARG A 58 1.458 8.040 -11.988 1.00 3.70 N ATOM 0 H ARG A 58 2.855 4.273 -8.017 1.00 0.66 H new ATOM 0 HA ARG A 58 4.767 4.529 -5.837 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.888 6.076 -7.136 1.00 0.96 H new ATOM 0 HB3 ARG A 58 5.318 4.870 -8.272 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.983 7.559 -7.791 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.098 7.214 -9.098 1.00 1.24 H new ATOM 0 HD2 ARG A 58 3.497 5.329 -9.790 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.354 6.005 -8.647 1.00 1.86 H new ATOM 0 HE ARG A 58 3.359 8.073 -10.402 1.00 2.47 H new ATOM 0 HH11 ARG A 58 1.284 5.234 -10.447 1.00 3.22 H new ATOM 0 HH12 ARG A 58 0.176 5.917 -11.641 1.00 3.22 H new ATOM 0 HH21 ARG A 58 2.092 8.830 -12.108 1.00 3.70 H new ATOM 0 HH22 ARG A 58 0.633 7.954 -12.581 1.00 3.70 H new ATOM 947 N LEU A 59 3.745 6.237 -4.453 1.00 0.85 N ATOM 948 CA LEU A 59 3.156 7.191 -3.515 1.00 1.02 C ATOM 949 C LEU A 59 3.303 8.600 -4.056 1.00 1.15 C ATOM 950 O LEU A 59 2.394 9.429 -3.970 1.00 1.59 O ATOM 951 CB LEU A 59 3.863 7.104 -2.157 1.00 1.28 C ATOM 952 CG LEU A 59 3.448 5.956 -1.236 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.425 5.829 -0.080 1.00 1.79 C ATOM 954 CD2 LEU A 59 2.042 6.176 -0.714 1.00 1.35 C ATOM 0 H LEU A 59 4.482 5.661 -4.045 1.00 0.85 H new ATOM 0 HA LEU A 59 2.100 6.950 -3.391 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.935 7.025 -2.337 1.00 1.28 H new ATOM 0 HB3 LEU A 59 3.697 8.042 -1.627 1.00 1.28 H new ATOM 0 HG LEU A 59 3.463 5.029 -1.810 1.00 1.35 H new ATOM 0 HD11 LEU A 59 4.118 5.008 0.568 1.00 1.79 H new ATOM 0 HD12 LEU A 59 5.424 5.630 -0.468 1.00 1.79 H new ATOM 0 HD13 LEU A 59 4.436 6.757 0.491 1.00 1.79 H new ATOM 0 HD21 LEU A 59 1.763 5.350 -0.060 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.004 7.110 -0.154 1.00 1.35 H new ATOM 0 HD23 LEU A 59 1.347 6.227 -1.552 1.00 1.35 H new ATOM 966 N ASP A 60 4.514 8.869 -4.536 1.00 1.13 N ATOM 967 CA ASP A 60 4.920 10.166 -5.055 1.00 1.33 C ATOM 968 C ASP A 60 3.903 10.822 -6.002 1.00 1.33 C ATOM 969 O ASP A 60 3.823 12.046 -6.067 1.00 1.56 O ATOM 970 CB ASP A 60 6.263 10.023 -5.792 1.00 1.46 C ATOM 971 CG ASP A 60 6.869 11.355 -6.176 1.00 1.90 C ATOM 972 OD1 ASP A 60 7.177 12.156 -5.265 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.038 11.612 -7.389 1.00 2.27 O ATOM 0 H ASP A 60 5.257 8.171 -4.575 1.00 1.13 H new ATOM 0 HA ASP A 60 5.000 10.821 -4.187 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.964 9.480 -5.158 1.00 1.46 H new ATOM 0 HB3 ASP A 60 6.116 9.424 -6.691 1.00 1.46 H new ATOM 978 N LYS A 61 3.171 10.041 -6.787 1.00 1.22 N ATOM 979 CA LYS A 61 2.258 10.668 -7.751 1.00 1.28 C ATOM 980 C LYS A 61 0.913 9.954 -7.961 1.00 1.06 C ATOM 981 O LYS A 61 0.627 9.418 -9.036 1.00 1.27 O ATOM 982 CB LYS A 61 3.009 10.813 -9.088 1.00 1.60 C ATOM 983 CG LYS A 61 2.302 11.678 -10.127 1.00 1.93 C ATOM 984 CD LYS A 61 3.037 11.628 -11.452 1.00 2.55 C ATOM 985 CE LYS A 61 2.305 12.403 -12.536 1.00 3.16 C ATOM 986 NZ LYS A 61 2.864 12.098 -13.883 1.00 3.92 N ATOM 0 H LYS A 61 3.183 9.021 -6.784 1.00 1.22 H new ATOM 0 HA LYS A 61 1.974 11.633 -7.330 1.00 1.28 H new ATOM 0 HB2 LYS A 61 3.994 11.237 -8.892 1.00 1.60 H new ATOM 0 HB3 LYS A 61 3.168 9.820 -9.509 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.277 11.331 -10.260 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.247 12.708 -9.774 1.00 1.93 H new ATOM 0 HD2 LYS A 61 4.039 12.038 -11.327 1.00 2.55 H new ATOM 0 HD3 LYS A 61 3.153 10.590 -11.764 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.244 12.152 -12.514 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.384 13.472 -12.339 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 2.091 12.055 -14.578 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.535 12.843 -14.157 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 3.356 11.182 -13.855 1.00 3.92 H new ATOM 1000 N TYR A 62 0.051 10.005 -6.969 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.281 9.446 -7.114 1.00 0.69 C ATOM 1002 C TYR A 62 -2.274 10.317 -6.361 1.00 0.67 C ATOM 1003 O TYR A 62 -1.891 11.036 -5.436 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.363 7.975 -6.689 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.280 7.673 -5.198 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.292 8.042 -4.313 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -0.187 6.991 -4.685 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -2.225 7.717 -2.968 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -0.113 6.669 -3.347 1.00 1.79 C ATOM 1010 CZ TYR A 62 -1.135 7.042 -2.496 1.00 1.66 C ATOM 1011 OH TYR A 62 -1.073 6.714 -1.168 1.00 2.21 O ATOM 0 H TYR A 62 0.243 10.424 -6.059 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.537 9.448 -8.173 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.302 7.567 -7.064 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.559 7.434 -7.188 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.145 8.592 -4.683 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.620 6.707 -5.345 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -3.026 7.994 -2.299 1.00 1.84 H new ATOM 0 HE2 TYR A 62 0.740 6.128 -2.966 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.935 7.526 -0.637 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.548 10.234 -6.724 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.570 11.004 -6.051 1.00 0.73 C ATOM 1023 C ASN A 63 -5.219 10.082 -5.037 1.00 0.64 C ATOM 1024 O ASN A 63 -5.402 8.901 -5.308 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.584 11.558 -7.057 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.652 12.419 -6.406 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -7.883 12.285 -6.864 1.00 2.15 O flip ATOM 1028 ND2 ASN A 63 -6.360 13.223 -5.529 1.00 2.13 N flip ATOM 0 H ASN A 63 -3.891 9.641 -7.480 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.144 11.871 -5.546 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.058 12.147 -7.809 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.061 10.728 -7.579 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.396 13.295 -5.203 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.081 13.821 -5.124 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.487 10.574 -3.853 1.00 0.74 N ATOM 1036 CA ILE A 64 -6.032 9.711 -2.816 1.00 0.70 C ATOM 1037 C ILE A 64 -7.106 10.371 -1.968 1.00 0.79 C ATOM 1038 O ILE A 64 -7.009 11.550 -1.607 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.880 9.169 -1.930 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -5.382 8.242 -0.813 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -4.059 10.300 -1.334 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -5.725 8.949 0.490 1.00 1.18 C ATOM 0 H ILE A 64 -5.343 11.546 -3.579 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.532 8.886 -3.323 1.00 0.70 H new ATOM 0 HB ILE A 64 -4.243 8.579 -2.590 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -6.266 7.713 -1.168 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.619 7.489 -0.613 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -3.261 9.885 -0.719 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.626 10.897 -2.136 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.701 10.930 -0.718 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -6.070 8.218 1.221 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -4.839 9.455 0.874 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -6.512 9.682 0.310 1.00 1.18 H new ATOM 1054 N ARG A 65 -8.106 9.567 -1.633 1.00 0.69 N ATOM 1055 CA ARG A 65 -9.213 9.973 -0.808 1.00 0.80 C ATOM 1056 C ARG A 65 -9.290 9.016 0.386 1.00 0.68 C ATOM 1057 O ARG A 65 -8.835 7.872 0.299 1.00 0.71 O ATOM 1058 CB ARG A 65 -10.523 9.943 -1.622 1.00 0.97 C ATOM 1059 CG ARG A 65 -10.621 11.014 -2.709 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.395 12.414 -2.144 1.00 1.78 C ATOM 1061 NE ARG A 65 -10.530 13.457 -3.167 1.00 2.20 N ATOM 1062 CZ ARG A 65 -11.684 13.751 -3.777 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -12.825 13.341 -3.245 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -11.708 14.700 -4.711 1.00 3.57 N ATOM 0 H ARG A 65 -8.162 8.596 -1.939 1.00 0.69 H new ATOM 0 HA ARG A 65 -9.069 10.994 -0.454 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.625 8.962 -2.086 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -11.363 10.060 -0.938 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -9.884 10.812 -3.486 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -11.603 10.966 -3.180 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -11.110 12.600 -1.343 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -9.400 12.469 -1.702 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.698 13.987 -3.427 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -12.820 12.806 -2.377 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -13.709 13.561 -3.703 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -10.851 15.196 -4.956 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -12.583 14.931 -5.181 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.890 9.460 1.460 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.057 8.636 2.647 1.00 0.83 C ATOM 1080 C GLN A 66 -11.454 8.875 3.176 1.00 0.99 C ATOM 1081 O GLN A 66 -11.925 10.010 3.251 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.960 8.906 3.702 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.011 10.293 4.355 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.424 11.407 3.491 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -9.001 11.790 2.464 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.268 11.927 3.892 1.00 2.45 N ATOM 0 H GLN A 66 -10.279 10.399 1.545 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.941 7.582 2.394 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.036 8.151 4.484 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.985 8.779 3.230 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -10.048 10.536 4.588 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.471 10.258 5.301 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -6.823 11.585 4.744 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.826 12.668 3.348 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.154 7.804 3.475 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.536 7.915 3.918 1.00 1.14 C ATOM 1097 C HIS A 67 -13.699 7.460 5.351 1.00 1.30 C ATOM 1098 O HIS A 67 -14.037 6.309 5.621 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.460 7.116 2.989 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.509 7.674 1.605 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.144 8.855 1.319 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.004 7.224 0.436 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.032 9.117 0.033 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.342 8.141 -0.525 1.00 1.61 N ATOM 0 H HIS A 67 -11.797 6.850 3.422 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.817 8.967 3.874 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.120 6.081 2.947 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.467 7.104 3.407 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.441 6.315 0.287 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.435 9.980 -0.476 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.099 8.079 -1.514 1.00 1.61 H new ATOM 1113 N THR A 68 -13.472 8.387 6.274 1.00 1.74 N ATOM 1114 CA THR A 68 -13.607 8.114 7.694 1.00 2.04 C ATOM 1115 C THR A 68 -15.093 8.152 8.074 1.00 1.92 C ATOM 1116 O THR A 68 -15.731 9.205 8.041 1.00 2.16 O ATOM 1117 CB THR A 68 -12.802 9.138 8.491 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.426 9.071 8.142 1.00 3.12 O ATOM 1119 CG2 THR A 68 -12.896 8.944 9.982 1.00 3.23 C ATOM 0 H THR A 68 -13.191 9.343 6.058 1.00 1.74 H new ATOM 0 HA THR A 68 -13.216 7.124 7.927 1.00 2.04 H new ATOM 0 HB THR A 68 -13.235 10.106 8.237 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.025 8.273 8.545 1.00 3.12 H new ATOM 0 HG21 THR A 68 -12.301 9.705 10.486 1.00 3.23 H new ATOM 0 HG22 THR A 68 -13.936 9.031 10.295 1.00 3.23 H new ATOM 0 HG23 THR A 68 -12.519 7.956 10.245 1.00 3.23 H new ATOM 1127 N THR A 69 -15.613 6.990 8.445 1.00 2.34 N ATOM 1128 CA THR A 69 -17.011 6.835 8.841 1.00 2.58 C ATOM 1129 C THR A 69 -17.178 5.495 9.548 1.00 2.35 C ATOM 1130 O THR A 69 -17.855 4.603 9.029 1.00 2.76 O ATOM 1131 CB THR A 69 -17.958 6.897 7.632 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.564 7.902 6.720 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.395 7.178 8.003 1.00 3.69 C ATOM 0 H THR A 69 -15.077 6.123 8.481 1.00 2.34 H new ATOM 0 HA THR A 69 -17.270 7.658 9.508 1.00 2.58 H new ATOM 0 HB THR A 69 -17.893 5.905 7.184 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.183 8.659 7.212 1.00 3.61 H new ATOM 0 HG21 THR A 69 -20.005 7.207 7.100 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.761 6.391 8.663 1.00 3.69 H new ATOM 0 HG23 THR A 69 -19.458 8.139 8.514 1.00 3.69 H new ATOM 1141 N ASP A 70 -16.472 5.348 10.676 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.448 4.107 11.474 1.00 2.43 C ATOM 1143 C ASP A 70 -15.310 3.226 10.944 1.00 2.17 C ATOM 1144 O ASP A 70 -14.527 2.660 11.702 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.772 3.335 11.449 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.783 2.132 12.382 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -16.938 2.076 13.307 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -18.665 1.261 12.230 1.00 4.26 O ATOM 0 H ASP A 70 -15.894 6.092 11.068 1.00 2.34 H new ATOM 0 HA ASP A 70 -16.289 4.381 12.517 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.583 4.009 11.726 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.970 2.999 10.431 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.236 3.146 9.630 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.194 2.410 8.943 1.00 2.00 C ATOM 1155 C GLU A 71 -13.313 3.413 8.218 1.00 1.55 C ATOM 1156 O GLU A 71 -13.826 4.235 7.459 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.801 1.446 7.911 1.00 2.69 C ATOM 1158 CG GLU A 71 -15.724 0.385 8.475 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.250 -0.525 7.384 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -17.047 -0.053 6.545 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -15.856 -1.707 7.338 1.00 4.50 O ATOM 0 H GLU A 71 -15.904 3.595 9.003 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.621 1.830 9.666 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.354 2.030 7.175 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.988 0.951 7.380 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.190 -0.207 9.218 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.559 0.862 8.987 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.012 3.371 8.452 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.110 4.303 7.786 1.00 1.10 C ATOM 1170 C ASP A 72 -10.706 3.750 6.429 1.00 0.90 C ATOM 1171 O ASP A 72 -9.604 3.224 6.250 1.00 1.26 O ATOM 1172 CB ASP A 72 -9.870 4.607 8.638 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.165 5.561 9.772 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.740 6.644 9.515 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.821 5.248 10.927 1.00 2.64 O ATOM 0 H ASP A 72 -11.560 2.714 9.087 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.642 5.244 7.647 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.476 3.676 9.045 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.093 5.032 8.003 1.00 1.58 H new ATOM 1180 N THR A 73 -11.635 3.838 5.494 1.00 0.74 N ATOM 1181 CA THR A 73 -11.421 3.327 4.152 1.00 0.65 C ATOM 1182 C THR A 73 -10.522 4.256 3.343 1.00 0.60 C ATOM 1183 O THR A 73 -10.741 5.465 3.298 1.00 0.79 O ATOM 1184 CB THR A 73 -12.774 3.148 3.470 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.640 2.342 4.260 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.658 2.516 2.101 1.00 0.94 C ATOM 0 H THR A 73 -12.551 4.262 5.641 1.00 0.74 H new ATOM 0 HA THR A 73 -10.914 2.364 4.213 1.00 0.65 H new ATOM 0 HB THR A 73 -13.185 4.151 3.358 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.501 2.243 3.803 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.651 2.413 1.663 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.042 3.147 1.460 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.198 1.532 2.192 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.544 3.682 2.670 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.636 4.449 1.831 1.00 0.52 C ATOM 1196 C ILE A 74 -9.002 4.194 0.382 1.00 0.50 C ATOM 1197 O ILE A 74 -9.204 3.044 -0.024 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.153 4.077 2.062 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.740 4.354 3.513 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.236 4.837 1.103 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.840 5.816 3.926 1.00 0.99 C ATOM 0 H ILE A 74 -9.355 2.680 2.687 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.741 5.503 2.090 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.048 3.010 1.865 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.366 3.758 4.177 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.713 4.018 3.656 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.200 4.554 1.290 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.500 4.590 0.075 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.354 5.909 1.260 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.530 5.922 4.965 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.192 6.419 3.290 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.870 6.155 3.818 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.096 5.248 -0.398 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.457 5.125 -1.801 1.00 0.45 C ATOM 1215 C VAL A 75 -8.551 6.001 -2.647 1.00 0.46 C ATOM 1216 O VAL A 75 -8.670 7.223 -2.638 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.919 5.545 -2.075 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.202 5.548 -3.568 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.918 4.671 -1.339 1.00 0.61 C ATOM 0 H VAL A 75 -8.928 6.205 -0.087 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.343 4.073 -2.061 1.00 0.45 H new ATOM 0 HB VAL A 75 -11.041 6.558 -1.691 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.236 5.846 -3.742 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.533 6.252 -4.064 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -11.040 4.548 -3.971 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.930 5.007 -1.564 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.800 3.635 -1.658 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.743 4.743 -0.266 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.658 5.380 -3.388 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.773 6.128 -4.251 1.00 0.58 C ATOM 1231 C LEU A 76 -7.419 6.252 -5.614 1.00 0.59 C ATOM 1232 O LEU A 76 -7.976 5.284 -6.143 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.378 5.506 -4.330 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.336 4.035 -4.712 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.108 3.752 -5.577 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.353 3.154 -3.469 1.00 0.75 C ATOM 0 H LEU A 76 -7.527 4.369 -3.410 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.623 7.123 -3.832 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.789 6.068 -5.055 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.891 5.626 -3.362 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.226 3.797 -5.295 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.087 2.696 -5.845 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.155 4.356 -6.483 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.205 4.003 -5.020 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -5.322 2.106 -3.766 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.485 3.381 -2.850 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.264 3.344 -2.901 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.386 7.447 -6.156 1.00 0.62 N ATOM 1249 CA GLN A 77 -8.009 7.723 -7.433 1.00 0.74 C ATOM 1250 C GLN A 77 -6.966 8.003 -8.497 1.00 0.78 C ATOM 1251 O GLN A 77 -5.841 8.410 -8.195 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.940 8.922 -7.275 1.00 0.93 C ATOM 1253 CG GLN A 77 -10.107 8.679 -6.323 1.00 1.36 C ATOM 1254 CD GLN A 77 -11.009 9.897 -6.187 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.686 10.956 -6.914 1.00 2.19 O flip ATOM 1256 NE2 GLN A 77 -11.980 9.889 -5.437 1.00 2.03 N flip ATOM 0 H GLN A 77 -6.930 8.253 -5.728 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.578 6.850 -7.751 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.362 9.773 -6.915 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -9.334 9.195 -8.254 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.694 7.834 -6.681 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.720 8.405 -5.341 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -12.197 9.054 -4.893 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.570 10.717 -5.358 1.00 2.03 H new ATOM 1265 N PRO A 78 -7.328 7.766 -9.762 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.435 7.980 -10.889 1.00 0.99 C ATOM 1267 C PRO A 78 -6.121 9.450 -11.137 1.00 1.02 C ATOM 1268 O PRO A 78 -6.983 10.211 -11.572 1.00 1.34 O ATOM 1269 CB PRO A 78 -7.208 7.403 -12.080 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.638 7.392 -11.679 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.655 7.267 -10.182 1.00 1.20 C ATOM 0 HA PRO A 78 -5.466 7.512 -10.714 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -7.059 8.011 -12.972 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.863 6.397 -12.318 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -9.138 8.306 -11.999 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -9.166 6.560 -12.145 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -9.460 7.856 -9.742 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.809 6.234 -9.870 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.861 9.837 -10.903 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.428 11.210 -11.150 1.00 1.56 C ATOM 1281 C GLN A 79 -4.180 11.381 -12.647 1.00 1.66 C ATOM 1282 O GLN A 79 -4.053 12.496 -13.150 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.178 11.565 -10.326 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.027 10.596 -10.500 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.062 11.005 -11.598 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.191 12.223 -12.103 1.00 3.22 O flip ATOM 1287 NE2 GLN A 79 -0.184 10.231 -11.976 1.00 3.46 N flip ATOM 0 H GLN A 79 -4.131 9.221 -10.546 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.210 11.899 -10.832 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -2.843 12.564 -10.606 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -3.450 11.604 -9.271 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.483 10.515 -9.559 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.425 9.606 -10.725 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.113 9.300 -11.565 1.00 3.46 H new ATOM 0 HE22 GLN A 79 0.474 10.520 -12.700 1.00 3.46 H new ATOM 1296 N GLU A 80 -4.176 10.249 -13.345 1.00 1.50 N ATOM 1297 CA GLU A 80 -4.018 10.182 -14.792 1.00 1.81 C ATOM 1298 C GLU A 80 -4.954 9.090 -15.276 1.00 1.62 C ATOM 1299 O GLU A 80 -5.137 8.094 -14.570 1.00 1.78 O ATOM 1300 CB GLU A 80 -2.573 9.850 -15.179 1.00 2.37 C ATOM 1301 CG GLU A 80 -1.604 11.013 -15.022 1.00 3.06 C ATOM 1302 CD GLU A 80 -0.176 10.661 -15.405 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.081 9.503 -15.777 1.00 4.35 O ATOM 1304 OE2 GLU A 80 0.698 11.558 -15.332 1.00 4.42 O ATOM 0 H GLU A 80 -4.285 9.333 -12.909 1.00 1.50 H new ATOM 0 HA GLU A 80 -4.253 11.144 -15.247 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -2.227 9.017 -14.567 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -2.554 9.513 -16.215 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.943 11.846 -15.638 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.622 11.355 -13.987 1.00 3.06 H new ATOM 1311 N PRO A 81 -5.584 9.251 -16.443 1.00 1.93 N ATOM 1312 CA PRO A 81 -6.551 8.266 -16.970 1.00 2.28 C ATOM 1313 C PRO A 81 -5.951 6.887 -17.228 1.00 2.24 C ATOM 1314 O PRO A 81 -6.681 5.920 -17.405 1.00 2.80 O ATOM 1315 CB PRO A 81 -7.020 8.892 -18.274 1.00 2.89 C ATOM 1316 CG PRO A 81 -6.739 10.338 -18.119 1.00 3.10 C ATOM 1317 CD PRO A 81 -5.466 10.417 -17.335 1.00 2.53 C ATOM 0 HA PRO A 81 -7.347 8.078 -16.249 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -6.487 8.474 -19.128 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -8.082 8.711 -18.441 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -6.633 10.823 -19.089 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -7.553 10.842 -17.598 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -4.587 10.353 -17.976 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -5.387 11.351 -16.778 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.622 6.806 -17.237 1.00 1.99 N ATOM 1326 CA GLY A 82 -3.949 5.540 -17.448 1.00 2.10 C ATOM 1327 C GLY A 82 -3.746 4.760 -16.154 1.00 1.96 C ATOM 1328 O GLY A 82 -3.257 3.631 -16.190 1.00 2.51 O ATOM 0 H GLY A 82 -3.998 7.602 -17.101 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -4.530 4.936 -18.145 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -2.981 5.721 -17.914 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.068 5.376 -15.027 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.885 4.735 -13.725 1.00 1.40 C ATOM 1334 C LEU A 83 -5.193 4.134 -13.198 1.00 1.22 C ATOM 1335 O LEU A 83 -6.197 4.829 -13.083 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.351 5.773 -12.722 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.972 5.209 -11.344 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.760 4.300 -11.456 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.722 6.349 -10.367 1.00 1.26 C ATOM 0 H LEU A 83 -4.457 6.318 -14.983 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.171 3.920 -13.844 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.474 6.256 -13.154 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.107 6.547 -12.586 1.00 1.31 H new ATOM 0 HG LEU A 83 -3.800 4.610 -10.964 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -1.506 3.910 -10.471 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -1.987 3.472 -12.127 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -0.916 4.866 -11.851 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -2.454 5.941 -9.393 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.907 6.972 -10.736 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -3.625 6.951 -10.272 1.00 1.26 H new ATOM 1351 N PRO A 84 -5.198 2.828 -12.867 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.390 2.166 -12.337 1.00 1.29 C ATOM 1353 C PRO A 84 -6.664 2.549 -10.891 1.00 1.09 C ATOM 1354 O PRO A 84 -5.737 2.838 -10.131 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.035 0.684 -12.427 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.548 0.643 -12.373 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.049 1.919 -12.972 1.00 1.64 C ATOM 0 HA PRO A 84 -7.290 2.442 -12.887 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.476 0.121 -11.604 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.409 0.243 -13.351 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.203 0.540 -11.344 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -4.166 -0.216 -12.925 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.184 2.303 -12.431 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.741 1.781 -14.009 1.00 1.64 H new ATOM 1365 N SER A 85 -7.929 2.584 -10.522 1.00 0.99 N ATOM 1366 CA SER A 85 -8.328 2.945 -9.161 1.00 0.88 C ATOM 1367 C SER A 85 -8.758 1.735 -8.350 1.00 0.63 C ATOM 1368 O SER A 85 -9.527 0.894 -8.825 1.00 0.82 O ATOM 1369 CB SER A 85 -9.475 3.966 -9.222 1.00 1.23 C ATOM 1370 OG SER A 85 -10.487 3.545 -10.123 1.00 1.43 O ATOM 0 H SER A 85 -8.708 2.367 -11.144 1.00 0.99 H new ATOM 0 HA SER A 85 -7.461 3.379 -8.662 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.901 4.098 -8.228 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.087 4.936 -9.534 1.00 1.23 H new ATOM 0 HG SER A 85 -11.206 4.211 -10.142 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.285 1.663 -7.115 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.637 0.566 -6.232 1.00 0.64 C ATOM 1378 C PHE A 86 -8.819 1.077 -4.801 1.00 0.57 C ATOM 1379 O PHE A 86 -8.264 2.110 -4.431 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.586 -0.549 -6.326 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.417 -0.432 -5.388 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.510 -0.943 -4.114 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.238 0.175 -5.779 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.457 -0.838 -3.223 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.177 0.279 -4.902 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.280 -0.239 -3.617 1.00 0.75 C ATOM 0 H PHE A 86 -7.656 2.353 -6.703 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.589 0.138 -6.545 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.080 -1.503 -6.143 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.206 -0.578 -7.347 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.420 -1.434 -3.804 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.146 0.571 -6.779 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.557 -1.225 -2.220 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.265 0.764 -5.216 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.446 -0.173 -2.934 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.620 0.364 -4.011 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.905 0.748 -2.638 1.00 0.57 C ATOM 1398 C ARG A 87 -9.292 -0.235 -1.636 1.00 0.57 C ATOM 1399 O ARG A 87 -8.905 -1.347 -1.999 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.425 0.773 -2.443 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.149 1.696 -3.408 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.626 1.347 -3.503 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.333 2.182 -4.469 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.029 2.257 -5.768 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.268 1.326 -6.327 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.737 3.052 -6.548 1.00 2.41 N ATOM 0 H ARG A 87 -10.086 -0.493 -4.308 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.468 1.730 -2.458 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.814 -0.238 -2.560 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.646 1.083 -1.422 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.038 2.729 -3.079 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.692 1.625 -4.395 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.732 0.300 -3.786 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -14.087 1.461 -2.522 1.00 1.24 H new ATOM 0 HE ARG A 87 -15.112 2.746 -4.130 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -12.914 0.552 -5.765 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -13.037 1.384 -7.319 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.504 3.599 -6.157 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.517 3.120 -7.542 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.253 0.183 -0.379 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.753 -0.642 0.714 1.00 0.54 C ATOM 1422 C ILE A 88 -9.601 -0.392 1.950 1.00 0.59 C ATOM 1423 O ILE A 88 -9.953 0.760 2.227 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.254 -0.427 1.044 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.833 1.030 0.848 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.397 -1.363 0.213 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.400 1.317 1.280 1.00 0.74 C ATOM 0 H ILE A 88 -9.568 1.108 -0.086 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.832 -1.678 0.384 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.104 -0.661 2.098 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.946 1.293 -0.204 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.509 1.673 1.412 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.346 -1.203 0.453 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.667 -2.396 0.434 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.562 -1.163 -0.846 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.173 2.370 1.111 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.286 1.086 2.339 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.714 0.700 0.699 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.899 -1.431 2.750 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.675 -1.209 3.960 1.00 0.74 C ATOM 1441 C LYS A 89 -10.214 -2.164 5.077 1.00 0.85 C ATOM 1442 O LYS A 89 -9.619 -3.203 4.804 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.181 -1.329 3.697 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.674 -2.747 3.445 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.941 -3.057 4.242 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.074 -2.100 3.891 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.295 -2.348 4.702 1.00 2.46 N ATOM 0 H LYS A 89 -9.621 -2.398 2.581 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.496 -0.187 4.294 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.719 -0.919 4.552 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.435 -0.712 2.835 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.872 -2.879 2.381 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.892 -3.457 3.714 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.255 -4.082 4.043 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.726 -2.991 5.308 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.741 -1.074 4.045 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.317 -2.201 2.833 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.967 -1.566 4.565 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.736 -3.241 4.401 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.037 -2.411 5.708 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.473 -1.808 6.353 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.063 -2.609 7.524 1.00 1.30 C ATOM 1463 C PRO A 90 -10.916 -3.861 7.721 1.00 1.47 C ATOM 1464 O PRO A 90 -11.266 -4.218 8.841 1.00 1.94 O ATOM 1465 CB PRO A 90 -10.265 -1.649 8.717 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.571 -0.305 8.123 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.149 -0.570 6.769 1.00 1.29 C ATOM 0 HA PRO A 90 -9.042 -2.973 7.409 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -11.081 -1.988 9.356 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -9.370 -1.606 9.338 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.276 0.245 8.746 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.669 0.303 8.049 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.231 -0.696 6.810 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.950 0.249 6.078 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.228 -4.536 6.625 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.023 -5.748 6.697 1.00 1.72 C ATOM 1477 C LYS A 91 -11.133 -6.966 6.923 1.00 2.02 C ATOM 1478 O LYS A 91 -11.620 -8.039 7.244 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.861 -5.972 5.431 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.944 -7.022 5.638 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.603 -7.438 4.348 1.00 2.94 C ATOM 1482 CE LYS A 91 -15.579 -8.578 4.597 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.217 -9.056 3.342 1.00 4.13 N ATOM 0 H LYS A 91 -10.945 -4.266 5.683 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.702 -5.621 7.540 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.322 -5.031 5.131 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.208 -6.282 4.615 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -13.508 -7.898 6.118 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.700 -6.629 6.318 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.129 -6.589 3.910 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.846 -7.749 3.629 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -15.054 -9.406 5.074 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.351 -8.248 5.292 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -16.874 -9.832 3.560 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -16.740 -8.274 2.899 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -15.484 -9.396 2.688 1.00 4.13 H new ATOM 1497 N ASP A 92 -9.821 -6.791 6.825 1.00 2.34 N ATOM 1498 CA ASP A 92 -8.914 -7.892 7.065 1.00 2.92 C ATOM 1499 C ASP A 92 -8.347 -7.756 8.489 1.00 2.79 C ATOM 1500 O ASP A 92 -7.424 -8.465 8.893 1.00 3.27 O ATOM 1501 CB ASP A 92 -7.797 -7.928 6.028 1.00 3.81 C ATOM 1502 CG ASP A 92 -7.009 -9.216 6.119 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -7.640 -10.293 6.193 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -5.766 -9.163 6.132 1.00 5.11 O ATOM 0 H ASP A 92 -9.372 -5.908 6.584 1.00 2.34 H new ATOM 0 HA ASP A 92 -9.455 -8.834 6.975 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -8.221 -7.828 5.029 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -7.130 -7.079 6.178 1.00 3.81 H new ATOM 1509 N PHE A 93 -8.943 -6.852 9.256 1.00 2.71 N ATOM 1510 CA PHE A 93 -8.525 -6.649 10.627 1.00 2.95 C ATOM 1511 C PHE A 93 -9.462 -7.380 11.586 1.00 3.05 C ATOM 1512 O PHE A 93 -9.691 -8.583 11.452 1.00 3.30 O ATOM 1513 CB PHE A 93 -8.462 -5.162 10.983 1.00 3.27 C ATOM 1514 CG PHE A 93 -7.221 -4.488 10.481 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -5.970 -4.928 10.880 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -7.304 -3.414 9.626 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -4.833 -4.305 10.422 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -6.167 -2.788 9.165 1.00 5.30 C ATOM 1519 CZ PHE A 93 -4.932 -3.226 9.578 1.00 5.69 C ATOM 0 H PHE A 93 -9.711 -6.254 8.950 1.00 2.71 H new ATOM 0 HA PHE A 93 -7.521 -7.060 10.728 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -9.335 -4.658 10.568 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -8.515 -5.051 12.066 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -5.887 -5.766 11.556 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -8.274 -3.057 9.312 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -3.861 -4.664 10.726 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -6.246 -1.956 8.481 1.00 5.30 H new ATOM 0 HZ PHE A 93 -4.039 -2.722 9.239 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.972 -6.637 12.553 1.00 3.44 N ATOM 1530 CA GLU A 94 -10.873 -7.162 13.589 1.00 3.96 C ATOM 1531 C GLU A 94 -11.087 -6.065 14.613 1.00 3.75 C ATOM 1532 O GLU A 94 -12.160 -5.483 14.711 1.00 4.15 O ATOM 1533 CB GLU A 94 -10.246 -8.382 14.261 1.00 4.82 C ATOM 1534 CG GLU A 94 -11.083 -8.980 15.375 1.00 5.73 C ATOM 1535 CD GLU A 94 -10.359 -10.109 16.078 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -9.335 -9.839 16.739 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -10.789 -11.273 15.943 1.00 7.20 O ATOM 0 H GLU A 94 -9.776 -5.641 12.650 1.00 3.44 H new ATOM 0 HA GLU A 94 -11.822 -7.466 13.147 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -10.068 -9.147 13.505 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.273 -8.100 14.664 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -11.334 -8.204 16.098 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -12.023 -9.350 14.965 1.00 5.73 H new ATOM 1544 N THR A 95 -10.021 -5.761 15.341 1.00 3.56 N ATOM 1545 CA THR A 95 -10.039 -4.713 16.339 1.00 3.57 C ATOM 1546 C THR A 95 -8.650 -4.093 16.401 1.00 3.11 C ATOM 1547 O THR A 95 -8.251 -3.459 17.373 1.00 3.46 O ATOM 1548 CB THR A 95 -10.466 -5.294 17.688 1.00 4.37 C ATOM 1549 OG1 THR A 95 -10.799 -4.270 18.617 1.00 4.92 O ATOM 1550 CG2 THR A 95 -9.409 -6.157 18.296 1.00 4.79 C ATOM 0 H THR A 95 -9.123 -6.236 15.253 1.00 3.56 H new ATOM 0 HA THR A 95 -10.759 -3.937 16.079 1.00 3.57 H new ATOM 0 HB THR A 95 -11.345 -5.904 17.480 1.00 4.37 H new ATOM 0 HG1 THR A 95 -10.123 -3.561 18.579 1.00 4.92 H new ATOM 0 HG21 THR A 95 -9.761 -6.545 19.252 1.00 4.79 H new ATOM 0 HG22 THR A 95 -9.188 -6.988 17.626 1.00 4.79 H new ATOM 0 HG23 THR A 95 -8.505 -5.569 18.454 1.00 4.79 H new ATOM 1558 N SER A 96 -7.921 -4.271 15.310 1.00 2.83 N ATOM 1559 CA SER A 96 -6.561 -3.769 15.185 1.00 2.92 C ATOM 1560 C SER A 96 -6.544 -2.582 14.240 1.00 2.63 C ATOM 1561 O SER A 96 -5.703 -2.476 13.357 1.00 2.95 O ATOM 1562 CB SER A 96 -5.666 -4.875 14.641 1.00 3.49 C ATOM 1563 OG SER A 96 -6.319 -6.140 14.741 1.00 4.05 O ATOM 0 H SER A 96 -8.256 -4.768 14.485 1.00 2.83 H new ATOM 0 HA SER A 96 -6.194 -3.454 16.162 1.00 2.92 H new ATOM 0 HB2 SER A 96 -5.416 -4.670 13.600 1.00 3.49 H new ATOM 0 HB3 SER A 96 -4.728 -4.898 15.196 1.00 3.49 H new ATOM 0 HG SER A 96 -5.732 -6.840 14.386 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.441 -1.653 14.485 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.526 -0.426 13.715 1.00 2.71 C ATOM 1571 C GLU A 97 -6.596 0.600 14.366 1.00 2.41 C ATOM 1572 O GLU A 97 -6.780 1.811 14.258 1.00 2.64 O ATOM 1573 CB GLU A 97 -8.940 0.078 13.760 1.00 3.26 C ATOM 1574 CG GLU A 97 -9.267 1.120 12.702 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.730 1.503 12.672 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.274 1.902 13.726 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -11.341 1.401 11.592 1.00 4.86 O ATOM 0 H GLU A 97 -8.137 -1.725 15.227 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.237 -0.595 12.678 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.618 -0.767 13.643 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.130 0.505 14.745 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -8.668 2.013 12.884 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.979 0.737 11.723 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.604 0.072 15.033 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.614 0.889 15.722 1.00 1.95 C ATOM 1586 C TYR A 98 -3.576 1.407 14.750 1.00 1.56 C ATOM 1587 O TYR A 98 -3.197 2.577 14.813 1.00 1.45 O ATOM 1588 CB TYR A 98 -3.943 0.120 16.872 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.820 -0.109 18.091 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.847 -1.048 18.067 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.621 0.603 19.272 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -6.646 -1.267 19.181 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -5.413 0.382 20.383 1.00 4.46 C ATOM 1594 CZ TYR A 98 -6.419 -0.556 20.334 1.00 4.66 C ATOM 1595 OH TYR A 98 -7.214 -0.764 21.443 1.00 5.65 O ATOM 0 H TYR A 98 -5.451 -0.933 15.120 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.138 1.740 16.157 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.610 -0.847 16.496 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.052 0.665 17.182 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -6.025 -1.616 17.166 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -3.834 1.341 19.320 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -7.444 -1.994 19.141 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -5.243 0.945 21.289 1.00 4.46 H new ATOM 0 HH TYR A 98 -6.917 -0.181 22.172 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.137 0.566 13.824 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.163 0.994 12.841 1.00 1.34 C ATOM 1607 C VAL A 99 -2.851 1.783 11.756 1.00 1.17 C ATOM 1608 O VAL A 99 -2.240 2.604 11.081 1.00 1.04 O ATOM 1609 CB VAL A 99 -1.386 -0.200 12.221 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.480 -0.839 13.256 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -2.331 -1.232 11.626 1.00 1.76 C ATOM 0 H VAL A 99 -3.438 -0.405 13.736 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.433 1.622 13.352 1.00 1.34 H new ATOM 0 HB VAL A 99 -0.770 0.189 11.410 1.00 1.65 H new ATOM 0 HG11 VAL A 99 0.056 -1.673 12.804 1.00 1.91 H new ATOM 0 HG12 VAL A 99 0.236 -0.101 13.618 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -1.080 -1.202 14.090 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -1.753 -2.053 11.201 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -2.988 -1.616 12.406 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -2.931 -0.768 10.843 1.00 1.76 H new ATOM 1621 N ARG A 100 -4.145 1.526 11.619 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.977 2.193 10.620 1.00 1.42 C ATOM 1623 C ARG A 100 -4.864 3.714 10.723 1.00 1.31 C ATOM 1624 O ARG A 100 -4.914 4.412 9.710 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.439 1.772 10.776 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.399 2.547 9.894 1.00 2.37 C ATOM 1627 CD ARG A 100 -7.112 2.395 8.403 1.00 3.01 C ATOM 1628 NE ARG A 100 -7.240 1.017 7.935 1.00 3.48 N ATOM 1629 CZ ARG A 100 -7.230 0.660 6.645 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -7.362 1.570 5.687 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -7.252 -0.628 6.318 1.00 4.93 N ATOM 0 H ARG A 100 -4.649 0.851 12.195 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.617 1.890 9.637 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.527 0.710 10.547 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.734 1.899 11.817 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.417 2.213 10.096 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.352 3.603 10.159 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -7.797 3.029 7.840 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.103 2.752 8.195 1.00 3.01 H new ATOM 0 HE ARG A 100 -7.343 0.282 8.634 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -7.473 2.554 5.930 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -7.353 1.285 4.708 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -7.276 -1.339 7.049 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -7.245 -0.905 5.336 1.00 4.93 H new ATOM 1645 N LYS A 101 -4.703 4.228 11.938 1.00 1.34 N ATOM 1646 CA LYS A 101 -4.577 5.675 12.145 1.00 1.43 C ATOM 1647 C LYS A 101 -3.277 6.203 11.525 1.00 1.27 C ATOM 1648 O LYS A 101 -3.220 7.332 11.049 1.00 1.40 O ATOM 1649 CB LYS A 101 -4.672 6.006 13.634 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.104 6.183 14.113 1.00 2.35 C ATOM 1651 CD LYS A 101 -6.976 4.988 13.752 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.422 5.182 14.202 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.154 6.127 13.320 1.00 3.24 N ATOM 0 H LYS A 101 -4.656 3.672 12.792 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.402 6.177 11.639 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -4.198 5.210 14.208 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -4.112 6.920 13.834 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.110 6.324 15.194 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -6.525 7.086 13.672 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -6.949 4.832 12.674 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -6.569 4.089 14.215 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -8.933 4.219 14.206 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.437 5.555 15.226 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.145 6.193 13.628 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -8.711 7.067 13.375 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.119 5.784 12.339 1.00 3.24 H new ATOM 1667 N ALA A 102 -2.262 5.356 11.498 1.00 1.11 N ATOM 1668 CA ALA A 102 -0.973 5.711 10.890 1.00 1.11 C ATOM 1669 C ALA A 102 -0.893 5.167 9.473 1.00 0.99 C ATOM 1670 O ALA A 102 0.141 5.263 8.805 1.00 1.28 O ATOM 1671 CB ALA A 102 0.185 5.191 11.723 1.00 1.22 C ATOM 0 H ALA A 102 -2.297 4.414 11.888 1.00 1.11 H new ATOM 0 HA ALA A 102 -0.901 6.798 10.855 1.00 1.11 H new ATOM 0 HB1 ALA A 102 1.127 5.468 11.250 1.00 1.22 H new ATOM 0 HB2 ALA A 102 0.139 5.626 12.722 1.00 1.22 H new ATOM 0 HB3 ALA A 102 0.122 4.105 11.797 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.025 4.655 9.006 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.136 4.160 7.644 1.00 1.01 C ATOM 1679 C TRP A 103 -2.727 5.266 6.774 1.00 0.93 C ATOM 1680 O TRP A 103 -2.584 5.261 5.558 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.960 2.864 7.529 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.126 1.607 7.610 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.884 0.856 8.722 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.424 0.963 6.534 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -1.066 -0.209 8.405 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.771 -0.163 7.071 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.281 1.232 5.170 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.025 -1.012 6.286 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.506 0.383 4.391 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.135 -0.729 4.947 1.00 0.98 C ATOM 0 H TRP A 103 -2.881 4.573 9.555 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.137 3.896 7.299 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.706 2.846 8.323 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.501 2.870 6.583 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.275 1.064 9.707 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.735 -0.917 9.061 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.767 2.089 4.728 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.534 -1.860 6.721 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.396 0.585 3.336 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.725 -1.375 4.314 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.356 6.230 7.422 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.931 7.375 6.724 1.00 1.12 C ATOM 1703 C LEU A 104 -2.813 8.288 6.231 1.00 1.10 C ATOM 1704 O LEU A 104 -2.488 8.281 5.045 1.00 1.40 O ATOM 1705 CB LEU A 104 -4.888 8.138 7.637 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.363 7.718 7.555 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.546 6.260 7.947 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.210 8.625 8.420 1.00 2.27 C ATOM 0 H LEU A 104 -3.484 6.246 8.434 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.501 7.018 5.866 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -4.552 8.018 8.667 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -4.818 9.200 7.400 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.691 7.818 6.520 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.601 5.994 7.878 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.968 5.627 7.274 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -6.200 6.112 8.970 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -8.254 8.319 8.355 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -6.876 8.557 9.455 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -7.111 9.654 8.074 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.288 9.112 7.126 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.247 10.084 6.812 1.00 1.18 C ATOM 1722 C ARG A 105 -0.142 9.544 5.900 1.00 1.08 C ATOM 1723 O ARG A 105 0.253 10.222 4.956 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.606 10.544 8.131 1.00 1.38 C ATOM 1725 CG ARG A 105 0.417 11.644 7.942 1.00 2.01 C ATOM 1726 CD ARG A 105 1.202 11.918 9.213 1.00 2.29 C ATOM 1727 NE ARG A 105 0.356 12.239 10.367 1.00 2.86 N ATOM 1728 CZ ARG A 105 0.851 12.531 11.569 1.00 3.68 C ATOM 1729 NH1 ARG A 105 2.150 12.358 11.811 1.00 4.09 N ATOM 1730 NH2 ARG A 105 0.042 12.848 12.570 1.00 4.52 N ATOM 0 H ARG A 105 -2.576 9.126 8.104 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.728 10.899 6.271 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.388 10.895 8.805 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.129 9.691 8.613 1.00 1.38 H new ATOM 0 HG2 ARG A 105 1.105 11.365 7.144 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.087 12.557 7.624 1.00 2.01 H new ATOM 0 HD2 ARG A 105 1.810 11.045 9.450 1.00 2.29 H new ATOM 0 HD3 ARG A 105 1.889 12.746 9.035 1.00 2.29 H new ATOM 0 HE ARG A 105 -0.657 12.239 10.244 1.00 2.86 H new ATOM 0 HH11 ARG A 105 2.763 12.003 11.077 1.00 4.09 H new ATOM 0 HH12 ARG A 105 2.532 12.581 12.730 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -0.967 12.870 12.423 1.00 4.52 H new ATOM 0 HH22 ARG A 105 0.429 13.070 13.487 1.00 4.52 H new ATOM 1744 N ASP A 106 0.364 8.345 6.176 1.00 0.95 N ATOM 1745 CA ASP A 106 1.444 7.775 5.356 1.00 0.99 C ATOM 1746 C ASP A 106 1.001 7.533 3.919 1.00 0.96 C ATOM 1747 O ASP A 106 1.820 7.449 3.004 1.00 1.17 O ATOM 1748 CB ASP A 106 1.980 6.492 5.972 1.00 1.09 C ATOM 1749 CG ASP A 106 3.182 6.773 6.854 1.00 1.46 C ATOM 1750 OD1 ASP A 106 4.170 7.352 6.350 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.149 6.425 8.054 1.00 1.76 O ATOM 0 H ASP A 106 0.054 7.753 6.947 1.00 0.95 H new ATOM 0 HA ASP A 106 2.248 8.510 5.333 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.197 6.012 6.560 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.259 5.794 5.182 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.301 7.445 3.727 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.875 7.242 2.413 1.00 1.04 C ATOM 1758 C ILE A 107 -1.080 8.585 1.712 1.00 1.23 C ATOM 1759 O ILE A 107 -0.653 8.774 0.571 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.233 6.503 2.519 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.082 4.988 2.313 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.219 7.058 1.516 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.988 4.321 3.151 1.00 1.45 C ATOM 0 H ILE A 107 -0.989 7.512 4.477 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.184 6.632 1.831 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.609 6.669 3.529 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.034 4.510 2.542 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.876 4.800 1.259 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.167 6.527 1.605 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.378 8.119 1.711 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.824 6.929 0.508 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.963 3.253 2.933 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.022 4.764 2.908 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.199 4.470 4.210 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.740 9.514 2.403 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.028 10.834 1.856 1.00 1.52 C ATOM 1777 C ALA A 108 -0.764 11.663 1.693 1.00 1.59 C ATOM 1778 O ALA A 108 -0.672 12.519 0.807 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.012 11.570 2.750 1.00 1.62 C ATOM 0 H ALA A 108 -2.087 9.372 3.352 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.468 10.691 0.869 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.219 12.555 2.330 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.940 11.001 2.816 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.584 11.683 3.746 1.00 1.62 H new ATOM 1785 N GLU A 109 0.195 11.408 2.559 1.00 1.39 N ATOM 1786 CA GLU A 109 1.459 12.117 2.552 1.00 1.50 C ATOM 1787 C GLU A 109 2.511 11.278 3.248 1.00 1.43 C ATOM 1788 O GLU A 109 2.730 11.388 4.454 1.00 1.70 O ATOM 1789 CB GLU A 109 1.327 13.483 3.235 1.00 1.69 C ATOM 1790 CG GLU A 109 0.562 13.458 4.554 1.00 1.73 C ATOM 1791 CD GLU A 109 0.434 14.828 5.184 1.00 2.07 C ATOM 1792 OE1 GLU A 109 0.981 15.811 4.630 1.00 2.56 O ATOM 1793 OE2 GLU A 109 -0.213 14.945 6.243 1.00 2.40 O ATOM 0 H GLU A 109 0.120 10.701 3.290 1.00 1.39 H new ATOM 0 HA GLU A 109 1.759 12.290 1.518 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.325 13.883 3.416 1.00 1.69 H new ATOM 0 HB3 GLU A 109 0.827 14.170 2.552 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -0.433 13.047 4.384 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.068 12.789 5.250 1.00 1.73 H new ATOM 1800 N GLU A 110 3.144 10.435 2.458 1.00 1.49 N ATOM 1801 CA GLU A 110 4.176 9.526 2.929 1.00 1.63 C ATOM 1802 C GLU A 110 5.211 10.257 3.796 1.00 1.78 C ATOM 1803 O GLU A 110 5.545 11.421 3.552 1.00 2.20 O ATOM 1804 CB GLU A 110 4.887 8.908 1.723 1.00 2.09 C ATOM 1805 CG GLU A 110 5.490 9.957 0.793 1.00 2.83 C ATOM 1806 CD GLU A 110 6.158 9.379 -0.430 1.00 3.38 C ATOM 1807 OE1 GLU A 110 7.064 8.531 -0.282 1.00 3.86 O ATOM 1808 OE2 GLU A 110 5.795 9.790 -1.547 1.00 3.86 O ATOM 0 H GLU A 110 2.956 10.359 1.458 1.00 1.49 H new ATOM 0 HA GLU A 110 3.701 8.754 3.535 1.00 1.63 H new ATOM 0 HB2 GLU A 110 5.676 8.243 2.073 1.00 2.09 H new ATOM 0 HB3 GLU A 110 4.179 8.296 1.163 1.00 2.09 H new ATOM 0 HG2 GLU A 110 4.704 10.642 0.476 1.00 2.83 H new ATOM 0 HG3 GLU A 110 6.220 10.545 1.350 1.00 2.83 H new ATOM 1815 N GLN A 111 5.716 9.542 4.796 1.00 1.93 N ATOM 1816 CA GLN A 111 6.714 10.072 5.725 1.00 2.44 C ATOM 1817 C GLN A 111 7.475 8.928 6.370 1.00 2.84 C ATOM 1818 O GLN A 111 7.634 8.852 7.588 1.00 3.22 O ATOM 1819 CB GLN A 111 6.085 10.946 6.800 1.00 2.97 C ATOM 1820 CG GLN A 111 5.728 12.350 6.321 1.00 3.66 C ATOM 1821 CD GLN A 111 5.409 13.288 7.463 1.00 4.54 C ATOM 1822 OE1 GLN A 111 4.592 12.986 8.335 1.00 5.12 O ATOM 1823 NE2 GLN A 111 6.037 14.448 7.461 1.00 5.02 N ATOM 0 H GLN A 111 5.446 8.577 4.987 1.00 1.93 H new ATOM 0 HA GLN A 111 7.399 10.697 5.152 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.183 10.458 7.170 1.00 2.97 H new ATOM 0 HB3 GLN A 111 6.774 11.023 7.641 1.00 2.97 H new ATOM 0 HG2 GLN A 111 6.559 12.755 5.743 1.00 3.66 H new ATOM 0 HG3 GLN A 111 4.871 12.294 5.650 1.00 3.66 H new ATOM 0 HE21 GLN A 111 6.707 14.664 6.723 1.00 5.02 H new ATOM 0 HE22 GLN A 111 5.853 15.129 8.198 1.00 5.02 H new