USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 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 396 HIS : no HD1:sc= -2.62! C(o=-3.2!,f=-5.9!) USER MOD Set 1.2: A 399 LYS NZ :NH3+ 164:sc= -0.556! (180deg=-1.38!) USER MOD Set 2.1: A 386 THR OG1 : rot -150:sc= -2.43! USER MOD Set 2.2: A 389 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.25) USER MOD Set 3.1: A 343 GLN : amide:sc= -0.844 K(o=-0.72,f=-0.0085) USER MOD Set 3.2: A 350 TYR OH : rot -117:sc= 0.121 USER MOD Single : A 340 TYR OH : rot 120:sc= -0.0442 USER MOD Single : A 342 TYR OH : rot 112:sc= -0.546! USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0.162 USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 88:sc= 0.374 USER MOD Single : A 362 LYS NZ :NH3+ -142:sc= 0.351 (180deg=0.00978) USER MOD Single : A 370 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 378 ASN : amide:sc= 1.19 K(o=1.2,f=-0.14) USER MOD Single : A 379 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.1) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 387 TYR OH : rot -30:sc= -0.0525 USER MOD Single : A 390 MET CE :methyl -162:sc= -0.543 (180deg=-1.47) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 TYR OH : rot 70:sc= -0.405 USER MOD Single : A 398 TYR OH : rot -23:sc= 0.76 USER MOD Single : A 401 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 405 LYS NZ :NH3+ 178:sc= 3.96 (180deg=3.75) USER MOD Single : A 409 GLN : amide:sc= -3.55! K(o=-3.6!,f=-1.2) USER MOD Single : A 416 MET CE :methyl -143:sc= -0.174 (180deg=-0.703) USER MOD Single : A 417 LYS NZ :NH3+ -140:sc= 1.24 (180deg=0.801) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 423 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 424 SER OG : rot -96:sc= 1.3 USER MOD Single : A 427 THR OG1 : rot -43:sc= -0.321 USER MOD ----------------------------------------------------------------- ATOM 56 N ARG A 335 -8.139 -2.673 6.411 1.00 0.40 N ATOM 57 CA ARG A 335 -7.045 -1.863 5.901 1.00 0.32 C ATOM 58 C ARG A 335 -7.135 -1.723 4.397 1.00 0.28 C ATOM 59 O ARG A 335 -7.388 -2.696 3.685 1.00 0.42 O ATOM 60 CB ARG A 335 -5.687 -2.464 6.241 1.00 0.37 C ATOM 61 CG ARG A 335 -5.443 -2.660 7.717 1.00 0.56 C ATOM 62 CD ARG A 335 -3.956 -2.685 8.000 1.00 0.93 C ATOM 63 NE ARG A 335 -3.659 -2.902 9.409 1.00 1.32 N ATOM 64 CZ ARG A 335 -3.251 -1.946 10.241 1.00 2.05 C ATOM 65 NH1 ARG A 335 -3.203 -0.679 9.836 1.00 2.81 N ATOM 66 NH2 ARG A 335 -2.913 -2.255 11.486 1.00 2.51 N ATOM 0 HA ARG A 335 -7.135 -0.887 6.378 1.00 0.32 H new ATOM 0 HB2 ARG A 335 -5.594 -3.427 5.739 1.00 0.37 H new ATOM 0 HB3 ARG A 335 -4.907 -1.818 5.839 1.00 0.37 H new ATOM 0 HG2 ARG A 335 -5.915 -1.856 8.281 1.00 0.56 H new ATOM 0 HG3 ARG A 335 -5.900 -3.593 8.048 1.00 0.56 H new ATOM 0 HD2 ARG A 335 -3.490 -3.473 7.408 1.00 0.93 H new ATOM 0 HD3 ARG A 335 -3.513 -1.742 7.680 1.00 0.93 H new ATOM 0 HE ARG A 335 -3.770 -3.845 9.782 1.00 1.32 H new ATOM 0 HH11 ARG A 335 -3.480 -0.437 8.885 1.00 2.81 H new ATOM 0 HH12 ARG A 335 -2.890 0.050 10.477 1.00 2.81 H new ATOM 0 HH21 ARG A 335 -2.966 -3.223 11.804 1.00 2.51 H new ATOM 0 HH22 ARG A 335 -2.600 -1.525 12.126 1.00 2.51 H new ATOM 80 N LEU A 336 -6.933 -0.504 3.934 1.00 0.23 N ATOM 81 CA LEU A 336 -6.779 -0.235 2.517 1.00 0.28 C ATOM 82 C LEU A 336 -5.496 -0.873 2.034 1.00 0.14 C ATOM 83 O LEU A 336 -4.734 -1.405 2.833 1.00 0.20 O ATOM 84 CB LEU A 336 -6.712 1.272 2.251 1.00 0.48 C ATOM 85 CG LEU A 336 -8.021 2.051 2.363 1.00 0.39 C ATOM 86 CD1 LEU A 336 -8.422 2.568 1.000 1.00 0.33 C ATOM 87 CD2 LEU A 336 -9.120 1.191 2.935 1.00 0.67 C ATOM 0 H LEU A 336 -6.871 0.324 4.526 1.00 0.23 H new ATOM 0 HA LEU A 336 -7.639 -0.647 1.988 1.00 0.28 H new ATOM 0 HB2 LEU A 336 -5.997 1.708 2.948 1.00 0.48 H new ATOM 0 HB3 LEU A 336 -6.312 1.422 1.248 1.00 0.48 H new ATOM 0 HG LEU A 336 -7.865 2.891 3.040 1.00 0.39 H new ATOM 0 HD11 LEU A 336 -9.356 3.124 1.082 1.00 0.33 H new ATOM 0 HD12 LEU A 336 -7.642 3.225 0.616 1.00 0.33 H new ATOM 0 HD13 LEU A 336 -8.558 1.729 0.318 1.00 0.33 H new ATOM 0 HD21 LEU A 336 -10.039 1.773 3.003 1.00 0.67 H new ATOM 0 HD22 LEU A 336 -9.283 0.330 2.287 1.00 0.67 H new ATOM 0 HD23 LEU A 336 -8.834 0.848 3.929 1.00 0.67 H new ATOM 99 N LEU A 337 -5.225 -0.798 0.750 1.00 0.15 N ATOM 100 CA LEU A 337 -4.000 -1.374 0.237 1.00 0.12 C ATOM 101 C LEU A 337 -2.810 -0.645 0.852 1.00 0.11 C ATOM 102 O LEU A 337 -1.883 -1.273 1.357 1.00 0.12 O ATOM 103 CB LEU A 337 -3.997 -1.318 -1.294 1.00 0.14 C ATOM 104 CG LEU A 337 -2.816 -1.978 -1.997 1.00 0.14 C ATOM 105 CD1 LEU A 337 -1.693 -0.992 -2.142 1.00 0.14 C ATOM 106 CD2 LEU A 337 -2.344 -3.209 -1.241 1.00 0.15 C ATOM 0 H LEU A 337 -5.822 -0.353 0.053 1.00 0.15 H new ATOM 0 HA LEU A 337 -3.926 -2.425 0.515 1.00 0.12 H new ATOM 0 HB2 LEU A 337 -4.913 -1.786 -1.654 1.00 0.14 H new ATOM 0 HB3 LEU A 337 -4.033 -0.272 -1.597 1.00 0.14 H new ATOM 0 HG LEU A 337 -3.142 -2.299 -2.986 1.00 0.14 H new ATOM 0 HD11 LEU A 337 -0.852 -1.470 -2.645 1.00 0.14 H new ATOM 0 HD12 LEU A 337 -2.031 -0.139 -2.731 1.00 0.14 H new ATOM 0 HD13 LEU A 337 -1.379 -0.650 -1.156 1.00 0.14 H new ATOM 0 HD21 LEU A 337 -1.501 -3.658 -1.767 1.00 0.15 H new ATOM 0 HD22 LEU A 337 -2.034 -2.922 -0.236 1.00 0.15 H new ATOM 0 HD23 LEU A 337 -3.158 -3.931 -1.177 1.00 0.15 H new ATOM 118 N TRP A 338 -2.875 0.680 0.869 1.00 0.12 N ATOM 119 CA TRP A 338 -1.833 1.481 1.503 1.00 0.14 C ATOM 120 C TRP A 338 -1.864 1.313 3.026 1.00 0.14 C ATOM 121 O TRP A 338 -0.828 1.363 3.683 1.00 0.17 O ATOM 122 CB TRP A 338 -1.967 2.966 1.119 1.00 0.16 C ATOM 123 CG TRP A 338 -3.260 3.611 1.526 1.00 0.14 C ATOM 124 CD1 TRP A 338 -4.343 3.831 0.730 1.00 0.15 C ATOM 125 CD2 TRP A 338 -3.601 4.131 2.816 1.00 0.15 C ATOM 126 NE1 TRP A 338 -5.335 4.448 1.443 1.00 0.15 N ATOM 127 CE2 TRP A 338 -4.907 4.639 2.727 1.00 0.16 C ATOM 128 CE3 TRP A 338 -2.931 4.210 4.038 1.00 0.18 C ATOM 129 CZ2 TRP A 338 -5.556 5.218 3.810 1.00 0.19 C ATOM 130 CZ3 TRP A 338 -3.576 4.781 5.112 1.00 0.21 C ATOM 131 CH2 TRP A 338 -4.880 5.280 4.993 1.00 0.21 C ATOM 0 H TRP A 338 -3.633 1.221 0.454 1.00 0.12 H new ATOM 0 HA TRP A 338 -0.870 1.122 1.140 1.00 0.14 H new ATOM 0 HB2 TRP A 338 -1.144 3.519 1.572 1.00 0.16 H new ATOM 0 HB3 TRP A 338 -1.856 3.058 0.039 1.00 0.16 H new ATOM 0 HD1 TRP A 338 -4.409 3.558 -0.313 1.00 0.15 H new ATOM 0 HE1 TRP A 338 -6.246 4.721 1.076 1.00 0.15 H new ATOM 0 HE3 TRP A 338 -1.925 3.830 4.139 1.00 0.18 H new ATOM 0 HZ2 TRP A 338 -6.560 5.605 3.719 1.00 0.19 H new ATOM 0 HZ3 TRP A 338 -3.068 4.845 6.063 1.00 0.21 H new ATOM 0 HH2 TRP A 338 -5.359 5.722 5.854 1.00 0.21 H new ATOM 142 N ASP A 339 -3.056 1.099 3.576 1.00 0.14 N ATOM 143 CA ASP A 339 -3.216 0.933 5.023 1.00 0.17 C ATOM 144 C ASP A 339 -2.578 -0.380 5.447 1.00 0.16 C ATOM 145 O ASP A 339 -1.991 -0.501 6.524 1.00 0.23 O ATOM 146 CB ASP A 339 -4.702 0.942 5.398 1.00 0.23 C ATOM 147 CG ASP A 339 -4.947 1.235 6.868 1.00 0.34 C ATOM 148 OD1 ASP A 339 -4.509 0.431 7.714 1.00 0.86 O ATOM 149 OD2 ASP A 339 -5.546 2.283 7.184 1.00 1.15 O ATOM 0 H ASP A 339 -3.925 1.036 3.046 1.00 0.14 H new ATOM 0 HA ASP A 339 -2.727 1.760 5.538 1.00 0.17 H new ATOM 0 HB2 ASP A 339 -5.218 1.689 4.795 1.00 0.23 H new ATOM 0 HB3 ASP A 339 -5.139 -0.025 5.149 1.00 0.23 H new ATOM 154 N TYR A 340 -2.686 -1.349 4.559 1.00 0.11 N ATOM 155 CA TYR A 340 -2.147 -2.675 4.770 1.00 0.10 C ATOM 156 C TYR A 340 -0.623 -2.666 4.718 1.00 0.08 C ATOM 157 O TYR A 340 0.029 -3.282 5.561 1.00 0.09 O ATOM 158 CB TYR A 340 -2.700 -3.610 3.703 1.00 0.11 C ATOM 159 CG TYR A 340 -2.406 -5.047 3.990 1.00 0.12 C ATOM 160 CD1 TYR A 340 -2.747 -5.594 5.213 1.00 0.15 C ATOM 161 CD2 TYR A 340 -1.786 -5.850 3.053 1.00 0.12 C ATOM 162 CE1 TYR A 340 -2.479 -6.907 5.502 1.00 0.18 C ATOM 163 CE2 TYR A 340 -1.513 -7.173 3.328 1.00 0.14 C ATOM 164 CZ TYR A 340 -1.860 -7.700 4.559 1.00 0.16 C ATOM 165 OH TYR A 340 -1.582 -9.018 4.849 1.00 0.20 O ATOM 0 H TYR A 340 -3.156 -1.235 3.661 1.00 0.11 H new ATOM 0 HA TYR A 340 -2.443 -3.022 5.760 1.00 0.10 H new ATOM 0 HB2 TYR A 340 -3.779 -3.472 3.627 1.00 0.11 H new ATOM 0 HB3 TYR A 340 -2.276 -3.342 2.735 1.00 0.11 H new ATOM 0 HD1 TYR A 340 -3.233 -4.976 5.954 1.00 0.15 H new ATOM 0 HD2 TYR A 340 -1.512 -5.437 2.094 1.00 0.12 H new ATOM 0 HE1 TYR A 340 -2.751 -7.318 6.463 1.00 0.18 H new ATOM 0 HE2 TYR A 340 -1.031 -7.794 2.587 1.00 0.14 H new ATOM 0 HH TYR A 340 -2.051 -9.599 4.214 1.00 0.20 H new ATOM 175 N VAL A 341 -0.049 -1.960 3.740 1.00 0.08 N ATOM 176 CA VAL A 341 1.406 -1.932 3.590 1.00 0.07 C ATOM 177 C VAL A 341 2.060 -1.369 4.838 1.00 0.08 C ATOM 178 O VAL A 341 3.154 -1.766 5.188 1.00 0.08 O ATOM 179 CB VAL A 341 1.887 -1.127 2.353 1.00 0.08 C ATOM 180 CG1 VAL A 341 1.080 -1.483 1.125 1.00 0.07 C ATOM 181 CG2 VAL A 341 1.875 0.376 2.590 1.00 0.09 C ATOM 0 H VAL A 341 -0.561 -1.409 3.051 1.00 0.08 H new ATOM 0 HA VAL A 341 1.708 -2.968 3.437 1.00 0.07 H new ATOM 0 HB VAL A 341 2.925 -1.412 2.182 1.00 0.08 H new ATOM 0 HG11 VAL A 341 1.438 -0.904 0.274 1.00 0.07 H new ATOM 0 HG12 VAL A 341 1.190 -2.547 0.913 1.00 0.07 H new ATOM 0 HG13 VAL A 341 0.029 -1.255 1.302 1.00 0.07 H new ATOM 0 HG21 VAL A 341 2.221 0.889 1.692 1.00 0.09 H new ATOM 0 HG22 VAL A 341 0.861 0.699 2.825 1.00 0.09 H new ATOM 0 HG23 VAL A 341 2.535 0.618 3.423 1.00 0.09 H new ATOM 191 N TYR A 342 1.375 -0.449 5.504 1.00 0.08 N ATOM 192 CA TYR A 342 1.856 0.095 6.776 1.00 0.10 C ATOM 193 C TYR A 342 2.083 -1.010 7.804 1.00 0.11 C ATOM 194 O TYR A 342 3.083 -1.003 8.521 1.00 0.14 O ATOM 195 CB TYR A 342 0.874 1.113 7.361 1.00 0.11 C ATOM 196 CG TYR A 342 1.056 2.523 6.862 1.00 0.11 C ATOM 197 CD1 TYR A 342 2.242 3.205 7.093 1.00 0.14 C ATOM 198 CD2 TYR A 342 0.039 3.184 6.189 1.00 0.16 C ATOM 199 CE1 TYR A 342 2.412 4.505 6.667 1.00 0.16 C ATOM 200 CE2 TYR A 342 0.206 4.482 5.755 1.00 0.19 C ATOM 201 CZ TYR A 342 1.393 5.138 5.997 1.00 0.17 C ATOM 202 OH TYR A 342 1.557 6.435 5.575 1.00 0.21 O ATOM 0 H TYR A 342 0.486 -0.062 5.189 1.00 0.08 H new ATOM 0 HA TYR A 342 2.802 0.591 6.560 1.00 0.10 H new ATOM 0 HB2 TYR A 342 -0.142 0.790 7.133 1.00 0.11 H new ATOM 0 HB3 TYR A 342 0.973 1.111 8.446 1.00 0.11 H new ATOM 0 HD1 TYR A 342 3.046 2.709 7.616 1.00 0.14 H new ATOM 0 HD2 TYR A 342 -0.895 2.676 6.003 1.00 0.16 H new ATOM 0 HE1 TYR A 342 3.340 5.023 6.859 1.00 0.16 H new ATOM 0 HE2 TYR A 342 -0.592 4.983 5.227 1.00 0.19 H new ATOM 0 HH TYR A 342 1.600 6.458 4.596 1.00 0.21 H new ATOM 212 N GLN A 343 1.158 -1.964 7.869 1.00 0.12 N ATOM 213 CA GLN A 343 1.257 -3.043 8.839 1.00 0.18 C ATOM 214 C GLN A 343 2.408 -3.948 8.444 1.00 0.18 C ATOM 215 O GLN A 343 3.150 -4.448 9.288 1.00 0.25 O ATOM 216 CB GLN A 343 -0.071 -3.819 8.909 1.00 0.28 C ATOM 217 CG GLN A 343 -0.120 -5.117 8.111 1.00 0.55 C ATOM 218 CD GLN A 343 0.152 -6.362 8.945 1.00 0.99 C ATOM 219 OE1 GLN A 343 -0.362 -7.443 8.654 1.00 1.40 O ATOM 220 NE2 GLN A 343 0.961 -6.229 9.980 1.00 1.15 N ATOM 0 H GLN A 343 0.338 -2.009 7.264 1.00 0.12 H new ATOM 0 HA GLN A 343 1.450 -2.639 9.833 1.00 0.18 H new ATOM 0 HB2 GLN A 343 -0.282 -4.048 9.954 1.00 0.28 H new ATOM 0 HB3 GLN A 343 -0.871 -3.167 8.557 1.00 0.28 H new ATOM 0 HG2 GLN A 343 -1.101 -5.210 7.646 1.00 0.55 H new ATOM 0 HG3 GLN A 343 0.611 -5.065 7.304 1.00 0.55 H new ATOM 0 HE21 GLN A 343 1.370 -5.320 10.194 1.00 1.15 H new ATOM 0 HE22 GLN A 343 1.177 -7.036 10.566 1.00 1.15 H new ATOM 229 N LEU A 344 2.559 -4.114 7.142 1.00 0.15 N ATOM 230 CA LEU A 344 3.603 -4.946 6.583 1.00 0.16 C ATOM 231 C LEU A 344 4.961 -4.258 6.698 1.00 0.18 C ATOM 232 O LEU A 344 6.003 -4.900 6.792 1.00 0.27 O ATOM 233 CB LEU A 344 3.268 -5.213 5.121 1.00 0.13 C ATOM 234 CG LEU A 344 1.856 -5.740 4.878 1.00 0.12 C ATOM 235 CD1 LEU A 344 1.564 -5.787 3.400 1.00 0.10 C ATOM 236 CD2 LEU A 344 1.674 -7.114 5.484 1.00 0.18 C ATOM 0 H LEU A 344 1.959 -3.674 6.444 1.00 0.15 H new ATOM 0 HA LEU A 344 3.660 -5.885 7.133 1.00 0.16 H new ATOM 0 HB2 LEU A 344 3.399 -4.289 4.557 1.00 0.13 H new ATOM 0 HB3 LEU A 344 3.984 -5.933 4.724 1.00 0.13 H new ATOM 0 HG LEU A 344 1.155 -5.058 5.361 1.00 0.12 H new ATOM 0 HD11 LEU A 344 0.554 -6.165 3.240 1.00 0.10 H new ATOM 0 HD12 LEU A 344 1.647 -4.784 2.981 1.00 0.10 H new ATOM 0 HD13 LEU A 344 2.280 -6.446 2.909 1.00 0.10 H new ATOM 0 HD21 LEU A 344 0.659 -7.463 5.295 1.00 0.18 H new ATOM 0 HD22 LEU A 344 2.386 -7.807 5.035 1.00 0.18 H new ATOM 0 HD23 LEU A 344 1.846 -7.063 6.559 1.00 0.18 H new ATOM 248 N LEU A 345 4.908 -2.940 6.692 1.00 0.12 N ATOM 249 CA LEU A 345 6.088 -2.087 6.759 1.00 0.13 C ATOM 250 C LEU A 345 6.701 -2.110 8.150 1.00 0.19 C ATOM 251 O LEU A 345 7.921 -2.073 8.303 1.00 0.29 O ATOM 252 CB LEU A 345 5.702 -0.646 6.387 1.00 0.10 C ATOM 253 CG LEU A 345 6.143 -0.156 5.001 1.00 0.10 C ATOM 254 CD1 LEU A 345 6.432 -1.314 4.071 1.00 0.12 C ATOM 255 CD2 LEU A 345 5.084 0.754 4.389 1.00 0.10 C ATOM 0 H LEU A 345 4.032 -2.420 6.640 1.00 0.12 H new ATOM 0 HA LEU A 345 6.828 -2.466 6.054 1.00 0.13 H new ATOM 0 HB2 LEU A 345 4.618 -0.555 6.452 1.00 0.10 H new ATOM 0 HB3 LEU A 345 6.123 0.024 7.136 1.00 0.10 H new ATOM 0 HG LEU A 345 7.064 0.412 5.133 1.00 0.10 H new ATOM 0 HD11 LEU A 345 6.742 -0.931 3.099 1.00 0.12 H new ATOM 0 HD12 LEU A 345 7.230 -1.927 4.490 1.00 0.12 H new ATOM 0 HD13 LEU A 345 5.533 -1.919 3.953 1.00 0.12 H new ATOM 0 HD21 LEU A 345 5.417 1.090 3.407 1.00 0.10 H new ATOM 0 HD22 LEU A 345 4.148 0.205 4.287 1.00 0.10 H new ATOM 0 HD23 LEU A 345 4.929 1.618 5.035 1.00 0.10 H new ATOM 267 N SER A 346 5.847 -2.163 9.159 1.00 0.25 N ATOM 268 CA SER A 346 6.297 -2.121 10.538 1.00 0.33 C ATOM 269 C SER A 346 6.782 -3.496 10.995 1.00 0.30 C ATOM 270 O SER A 346 7.787 -3.606 11.703 1.00 0.53 O ATOM 271 CB SER A 346 5.161 -1.620 11.434 1.00 0.51 C ATOM 272 OG SER A 346 5.614 -1.345 12.749 1.00 1.43 O ATOM 0 H SER A 346 4.836 -2.235 9.047 1.00 0.25 H new ATOM 0 HA SER A 346 7.138 -1.432 10.614 1.00 0.33 H new ATOM 0 HB2 SER A 346 4.727 -0.718 11.002 1.00 0.51 H new ATOM 0 HB3 SER A 346 4.369 -2.368 11.471 1.00 0.51 H new ATOM 0 HG SER A 346 4.864 -1.026 13.293 1.00 1.43 H new ATOM 278 N ASP A 347 6.091 -4.544 10.565 1.00 0.32 N ATOM 279 CA ASP A 347 6.406 -5.893 11.017 1.00 0.32 C ATOM 280 C ASP A 347 7.412 -6.553 10.090 1.00 0.30 C ATOM 281 O ASP A 347 7.296 -6.492 8.868 1.00 0.30 O ATOM 282 CB ASP A 347 5.138 -6.734 11.109 1.00 0.35 C ATOM 283 CG ASP A 347 5.217 -7.767 12.212 1.00 0.49 C ATOM 284 OD1 ASP A 347 6.114 -8.633 12.172 1.00 0.58 O ATOM 285 OD2 ASP A 347 4.373 -7.719 13.128 1.00 0.67 O ATOM 0 H ASP A 347 5.313 -4.487 9.908 1.00 0.32 H new ATOM 0 HA ASP A 347 6.851 -5.823 12.010 1.00 0.32 H new ATOM 0 HB2 ASP A 347 4.283 -6.081 11.285 1.00 0.35 H new ATOM 0 HB3 ASP A 347 4.966 -7.235 10.156 1.00 0.35 H new ATOM 290 N SER A 348 8.376 -7.216 10.693 1.00 0.34 N ATOM 291 CA SER A 348 9.566 -7.664 9.999 1.00 0.35 C ATOM 292 C SER A 348 9.333 -8.863 9.093 1.00 0.31 C ATOM 293 O SER A 348 10.029 -9.031 8.093 1.00 0.32 O ATOM 294 CB SER A 348 10.618 -7.998 11.025 1.00 0.46 C ATOM 295 OG SER A 348 10.028 -8.232 12.296 1.00 1.53 O ATOM 0 H SER A 348 8.357 -7.461 11.683 1.00 0.34 H new ATOM 0 HA SER A 348 9.886 -6.852 9.346 1.00 0.35 H new ATOM 0 HB2 SER A 348 11.173 -8.881 10.709 1.00 0.46 H new ATOM 0 HB3 SER A 348 11.335 -7.180 11.097 1.00 0.46 H new ATOM 0 HG SER A 348 10.728 -8.449 12.947 1.00 1.53 H new ATOM 301 N ARG A 349 8.372 -9.701 9.440 1.00 0.33 N ATOM 302 CA ARG A 349 8.100 -10.906 8.656 1.00 0.35 C ATOM 303 C ARG A 349 7.747 -10.559 7.209 1.00 0.29 C ATOM 304 O ARG A 349 7.811 -11.410 6.323 1.00 0.34 O ATOM 305 CB ARG A 349 6.970 -11.727 9.274 1.00 0.42 C ATOM 306 CG ARG A 349 5.608 -11.085 9.134 1.00 0.55 C ATOM 307 CD ARG A 349 5.014 -10.763 10.482 1.00 0.59 C ATOM 308 NE ARG A 349 4.628 -11.960 11.219 1.00 1.23 N ATOM 309 CZ ARG A 349 4.576 -12.027 12.546 1.00 1.67 C ATOM 310 NH1 ARG A 349 4.919 -10.974 13.281 1.00 1.93 N ATOM 311 NH2 ARG A 349 4.182 -13.143 13.140 1.00 2.56 N ATOM 0 H ARG A 349 7.768 -9.576 10.252 1.00 0.33 H new ATOM 0 HA ARG A 349 9.012 -11.502 8.663 1.00 0.35 H new ATOM 0 HB2 ARG A 349 6.949 -12.711 8.805 1.00 0.42 H new ATOM 0 HB3 ARG A 349 7.182 -11.883 10.332 1.00 0.42 H new ATOM 0 HG2 ARG A 349 5.692 -10.172 8.544 1.00 0.55 H new ATOM 0 HG3 ARG A 349 4.942 -11.755 8.591 1.00 0.55 H new ATOM 0 HD2 ARG A 349 5.737 -10.196 11.068 1.00 0.59 H new ATOM 0 HD3 ARG A 349 4.141 -10.125 10.348 1.00 0.59 H new ATOM 0 HE ARG A 349 4.384 -12.795 10.686 1.00 1.23 H new ATOM 0 HH11 ARG A 349 5.223 -10.112 12.827 1.00 1.93 H new ATOM 0 HH12 ARG A 349 4.878 -11.027 14.299 1.00 1.93 H new ATOM 0 HH21 ARG A 349 3.918 -13.953 12.579 1.00 2.56 H new ATOM 0 HH22 ARG A 349 4.143 -13.192 14.158 1.00 2.56 H new ATOM 325 N TYR A 350 7.386 -9.304 6.973 1.00 0.22 N ATOM 326 CA TYR A 350 6.942 -8.882 5.663 1.00 0.17 C ATOM 327 C TYR A 350 8.014 -8.088 4.946 1.00 0.16 C ATOM 328 O TYR A 350 7.833 -7.719 3.791 1.00 0.15 O ATOM 329 CB TYR A 350 5.702 -8.011 5.768 1.00 0.17 C ATOM 330 CG TYR A 350 4.610 -8.565 6.633 1.00 0.20 C ATOM 331 CD1 TYR A 350 3.914 -9.704 6.267 1.00 0.24 C ATOM 332 CD2 TYR A 350 4.242 -7.916 7.795 1.00 0.23 C ATOM 333 CE1 TYR A 350 2.879 -10.179 7.031 1.00 0.29 C ATOM 334 CE2 TYR A 350 3.215 -8.384 8.576 1.00 0.28 C ATOM 335 CZ TYR A 350 2.528 -9.519 8.191 1.00 0.31 C ATOM 336 OH TYR A 350 1.485 -9.985 8.956 1.00 0.39 O ATOM 0 H TYR A 350 7.394 -8.565 7.676 1.00 0.22 H new ATOM 0 HA TYR A 350 6.719 -9.788 5.099 1.00 0.17 H new ATOM 0 HB2 TYR A 350 5.994 -7.035 6.157 1.00 0.17 H new ATOM 0 HB3 TYR A 350 5.304 -7.849 4.766 1.00 0.17 H new ATOM 0 HD1 TYR A 350 4.191 -10.228 5.364 1.00 0.24 H new ATOM 0 HD2 TYR A 350 4.772 -7.024 8.095 1.00 0.23 H new ATOM 0 HE1 TYR A 350 2.341 -11.065 6.727 1.00 0.29 H new ATOM 0 HE2 TYR A 350 2.946 -7.868 9.486 1.00 0.28 H new ATOM 0 HH TYR A 350 0.776 -9.309 8.989 1.00 0.39 H new ATOM 346 N GLU A 351 9.135 -7.834 5.614 1.00 0.18 N ATOM 347 CA GLU A 351 10.157 -6.954 5.051 1.00 0.21 C ATOM 348 C GLU A 351 10.821 -7.586 3.827 1.00 0.21 C ATOM 349 O GLU A 351 11.584 -6.941 3.108 1.00 0.24 O ATOM 350 CB GLU A 351 11.168 -6.524 6.122 1.00 0.28 C ATOM 351 CG GLU A 351 12.144 -7.589 6.571 1.00 0.48 C ATOM 352 CD GLU A 351 13.301 -7.811 5.613 1.00 0.99 C ATOM 353 OE1 GLU A 351 14.000 -6.830 5.285 1.00 1.05 O ATOM 354 OE2 GLU A 351 13.517 -8.964 5.179 1.00 1.78 O ATOM 0 H GLU A 351 9.358 -8.218 6.532 1.00 0.18 H new ATOM 0 HA GLU A 351 9.670 -6.044 4.701 1.00 0.21 H new ATOM 0 HB2 GLU A 351 11.736 -5.676 5.739 1.00 0.28 H new ATOM 0 HB3 GLU A 351 10.617 -6.172 6.994 1.00 0.28 H new ATOM 0 HG2 GLU A 351 12.542 -7.314 7.548 1.00 0.48 H new ATOM 0 HG3 GLU A 351 11.607 -8.529 6.699 1.00 0.48 H new ATOM 361 N ASN A 352 10.498 -8.849 3.589 1.00 0.19 N ATOM 362 CA ASN A 352 10.947 -9.549 2.394 1.00 0.21 C ATOM 363 C ASN A 352 9.981 -9.295 1.238 1.00 0.16 C ATOM 364 O ASN A 352 10.320 -9.493 0.079 1.00 0.18 O ATOM 365 CB ASN A 352 11.046 -11.047 2.668 1.00 0.27 C ATOM 366 CG ASN A 352 11.694 -11.819 1.533 1.00 1.03 C ATOM 367 OD1 ASN A 352 12.919 -11.941 1.471 1.00 1.83 O ATOM 368 ND2 ASN A 352 10.879 -12.365 0.642 1.00 1.62 N ATOM 0 H ASN A 352 9.922 -9.414 4.213 1.00 0.19 H new ATOM 0 HA ASN A 352 11.933 -9.173 2.120 1.00 0.21 H new ATOM 0 HB2 ASN A 352 11.619 -11.206 3.581 1.00 0.27 H new ATOM 0 HB3 ASN A 352 10.047 -11.445 2.846 1.00 0.27 H new ATOM 0 HD21 ASN A 352 11.260 -12.910 -0.131 1.00 1.62 H new ATOM 0 HD22 ASN A 352 9.870 -12.240 0.729 1.00 1.62 H new ATOM 375 N PHE A 353 8.769 -8.869 1.570 1.00 0.13 N ATOM 376 CA PHE A 353 7.760 -8.540 0.572 1.00 0.10 C ATOM 377 C PHE A 353 7.669 -7.030 0.372 1.00 0.08 C ATOM 378 O PHE A 353 7.330 -6.555 -0.707 1.00 0.07 O ATOM 379 CB PHE A 353 6.391 -9.066 1.005 1.00 0.09 C ATOM 380 CG PHE A 353 6.357 -10.537 1.296 1.00 0.12 C ATOM 381 CD1 PHE A 353 7.018 -11.436 0.483 1.00 0.17 C ATOM 382 CD2 PHE A 353 5.666 -11.014 2.392 1.00 0.13 C ATOM 383 CE1 PHE A 353 6.991 -12.787 0.755 1.00 0.19 C ATOM 384 CE2 PHE A 353 5.635 -12.364 2.675 1.00 0.17 C ATOM 385 CZ PHE A 353 6.297 -13.253 1.853 1.00 0.18 C ATOM 0 H PHE A 353 8.459 -8.742 2.533 1.00 0.13 H new ATOM 0 HA PHE A 353 8.054 -9.010 -0.366 1.00 0.10 H new ATOM 0 HB2 PHE A 353 6.072 -8.524 1.895 1.00 0.09 H new ATOM 0 HB3 PHE A 353 5.666 -8.846 0.221 1.00 0.09 H new ATOM 0 HD1 PHE A 353 7.563 -11.076 -0.377 1.00 0.17 H new ATOM 0 HD2 PHE A 353 5.143 -10.322 3.036 1.00 0.13 H new ATOM 0 HE1 PHE A 353 7.512 -13.479 0.110 1.00 0.19 H new ATOM 0 HE2 PHE A 353 5.094 -12.724 3.538 1.00 0.17 H new ATOM 0 HZ PHE A 353 6.272 -14.311 2.068 1.00 0.18 H new ATOM 395 N ILE A 354 7.991 -6.287 1.417 1.00 0.08 N ATOM 396 CA ILE A 354 7.857 -4.836 1.419 1.00 0.07 C ATOM 397 C ILE A 354 8.567 -4.287 2.647 1.00 0.08 C ATOM 398 O ILE A 354 8.659 -4.970 3.662 1.00 0.10 O ATOM 399 CB ILE A 354 6.368 -4.423 1.449 1.00 0.07 C ATOM 400 CG1 ILE A 354 6.180 -2.957 1.070 1.00 0.07 C ATOM 401 CG2 ILE A 354 5.775 -4.690 2.825 1.00 0.08 C ATOM 402 CD1 ILE A 354 4.731 -2.509 1.105 1.00 0.07 C ATOM 0 H ILE A 354 8.353 -6.671 2.290 1.00 0.08 H new ATOM 0 HA ILE A 354 8.303 -4.431 0.510 1.00 0.07 H new ATOM 0 HB ILE A 354 5.843 -5.026 0.708 1.00 0.07 H new ATOM 0 HG12 ILE A 354 6.762 -2.335 1.751 1.00 0.07 H new ATOM 0 HG13 ILE A 354 6.579 -2.794 0.069 1.00 0.07 H new ATOM 0 HG21 ILE A 354 4.726 -4.395 2.833 1.00 0.08 H new ATOM 0 HG22 ILE A 354 5.855 -5.752 3.056 1.00 0.08 H new ATOM 0 HG23 ILE A 354 6.319 -4.114 3.574 1.00 0.08 H new ATOM 0 HD11 ILE A 354 4.668 -1.457 0.825 1.00 0.07 H new ATOM 0 HD12 ILE A 354 4.148 -3.106 0.404 1.00 0.07 H new ATOM 0 HD13 ILE A 354 4.334 -2.641 2.111 1.00 0.07 H new ATOM 414 N ARG A 355 9.083 -3.076 2.568 1.00 0.09 N ATOM 415 CA ARG A 355 9.825 -2.521 3.692 1.00 0.11 C ATOM 416 C ARG A 355 9.991 -1.017 3.566 1.00 0.10 C ATOM 417 O ARG A 355 10.012 -0.472 2.464 1.00 0.14 O ATOM 418 CB ARG A 355 11.206 -3.168 3.774 1.00 0.16 C ATOM 419 CG ARG A 355 12.144 -2.693 2.678 1.00 0.22 C ATOM 420 CD ARG A 355 13.509 -3.318 2.814 1.00 0.25 C ATOM 421 NE ARG A 355 14.538 -2.511 2.175 1.00 0.98 N ATOM 422 CZ ARG A 355 15.753 -2.948 1.886 1.00 1.40 C ATOM 423 NH1 ARG A 355 16.070 -4.228 2.058 1.00 1.43 N ATOM 424 NH2 ARG A 355 16.647 -2.099 1.402 1.00 2.08 N ATOM 0 H ARG A 355 9.007 -2.464 1.755 1.00 0.09 H new ATOM 0 HA ARG A 355 9.255 -2.731 4.597 1.00 0.11 H new ATOM 0 HB2 ARG A 355 11.648 -2.948 4.745 1.00 0.16 H new ATOM 0 HB3 ARG A 355 11.099 -4.251 3.711 1.00 0.16 H new ATOM 0 HG2 ARG A 355 11.723 -2.942 1.704 1.00 0.22 H new ATOM 0 HG3 ARG A 355 12.233 -1.607 2.719 1.00 0.22 H new ATOM 0 HD2 ARG A 355 13.748 -3.443 3.870 1.00 0.25 H new ATOM 0 HD3 ARG A 355 13.499 -4.313 2.370 1.00 0.25 H new ATOM 0 HE ARG A 355 14.308 -1.547 1.935 1.00 0.98 H new ATOM 0 HH11 ARG A 355 15.374 -4.882 2.415 1.00 1.43 H new ATOM 0 HH12 ARG A 355 17.009 -4.556 1.832 1.00 1.43 H new ATOM 0 HH21 ARG A 355 16.395 -1.121 1.256 1.00 2.08 H new ATOM 0 HH22 ARG A 355 17.587 -2.423 1.175 1.00 2.08 H new ATOM 438 N TRP A 356 10.106 -0.356 4.706 1.00 0.10 N ATOM 439 CA TRP A 356 10.420 1.063 4.744 1.00 0.09 C ATOM 440 C TRP A 356 11.834 1.332 4.244 1.00 0.09 C ATOM 441 O TRP A 356 12.790 0.695 4.690 1.00 0.14 O ATOM 442 CB TRP A 356 10.337 1.599 6.165 1.00 0.10 C ATOM 443 CG TRP A 356 8.962 1.776 6.719 1.00 0.10 C ATOM 444 CD1 TRP A 356 8.463 1.213 7.857 1.00 0.12 C ATOM 445 CD2 TRP A 356 7.921 2.598 6.188 1.00 0.10 C ATOM 446 NE1 TRP A 356 7.182 1.652 8.077 1.00 0.12 N ATOM 447 CE2 TRP A 356 6.829 2.500 7.065 1.00 0.12 C ATOM 448 CE3 TRP A 356 7.808 3.410 5.062 1.00 0.11 C ATOM 449 CZ2 TRP A 356 5.643 3.187 6.851 1.00 0.13 C ATOM 450 CZ3 TRP A 356 6.632 4.091 4.852 1.00 0.12 C ATOM 451 CH2 TRP A 356 5.565 3.983 5.740 1.00 0.13 C ATOM 0 H TRP A 356 9.986 -0.783 5.624 1.00 0.10 H new ATOM 0 HA TRP A 356 9.692 1.558 4.102 1.00 0.09 H new ATOM 0 HB2 TRP A 356 10.887 0.923 6.820 1.00 0.10 H new ATOM 0 HB3 TRP A 356 10.848 2.561 6.199 1.00 0.10 H new ATOM 0 HD1 TRP A 356 8.998 0.523 8.492 1.00 0.12 H new ATOM 0 HE1 TRP A 356 6.591 1.389 8.865 1.00 0.12 H new ATOM 0 HE3 TRP A 356 8.629 3.503 4.367 1.00 0.11 H new ATOM 0 HZ2 TRP A 356 4.812 3.097 7.535 1.00 0.13 H new ATOM 0 HZ3 TRP A 356 6.534 4.722 3.981 1.00 0.12 H new ATOM 0 HH2 TRP A 356 4.658 4.538 5.549 1.00 0.13 H new ATOM 462 N GLU A 357 11.956 2.283 3.337 1.00 0.10 N ATOM 463 CA GLU A 357 13.254 2.816 2.958 1.00 0.12 C ATOM 464 C GLU A 357 13.486 4.113 3.716 1.00 0.14 C ATOM 465 O GLU A 357 14.604 4.438 4.118 1.00 0.21 O ATOM 466 CB GLU A 357 13.325 3.047 1.455 1.00 0.16 C ATOM 467 CG GLU A 357 13.439 1.764 0.655 1.00 0.25 C ATOM 468 CD GLU A 357 14.728 1.016 0.933 1.00 0.36 C ATOM 469 OE1 GLU A 357 15.744 1.302 0.270 1.00 0.78 O ATOM 470 OE2 GLU A 357 14.732 0.146 1.830 1.00 0.61 O ATOM 0 H GLU A 357 11.168 2.705 2.846 1.00 0.10 H new ATOM 0 HA GLU A 357 14.034 2.099 3.214 1.00 0.12 H new ATOM 0 HB2 GLU A 357 12.435 3.588 1.135 1.00 0.16 H new ATOM 0 HB3 GLU A 357 14.182 3.683 1.232 1.00 0.16 H new ATOM 0 HG2 GLU A 357 12.592 1.119 0.887 1.00 0.25 H new ATOM 0 HG3 GLU A 357 13.380 1.997 -0.408 1.00 0.25 H new ATOM 477 N ASP A 358 12.403 4.846 3.911 1.00 0.14 N ATOM 478 CA ASP A 358 12.390 5.989 4.807 1.00 0.16 C ATOM 479 C ASP A 358 11.104 5.969 5.602 1.00 0.16 C ATOM 480 O ASP A 358 10.100 6.516 5.166 1.00 0.20 O ATOM 481 CB ASP A 358 12.471 7.325 4.068 1.00 0.20 C ATOM 482 CG ASP A 358 13.188 8.369 4.899 1.00 0.92 C ATOM 483 OD1 ASP A 358 12.584 8.882 5.866 1.00 1.46 O ATOM 484 OD2 ASP A 358 14.359 8.678 4.596 1.00 1.33 O ATOM 0 H ASP A 358 11.509 4.666 3.453 1.00 0.14 H new ATOM 0 HA ASP A 358 13.269 5.907 5.447 1.00 0.16 H new ATOM 0 HB2 ASP A 358 12.994 7.189 3.121 1.00 0.20 H new ATOM 0 HB3 ASP A 358 11.466 7.673 3.830 1.00 0.20 H new ATOM 489 N LYS A 359 11.135 5.317 6.748 1.00 0.15 N ATOM 490 CA LYS A 359 9.961 5.180 7.600 1.00 0.17 C ATOM 491 C LYS A 359 9.354 6.531 7.943 1.00 0.19 C ATOM 492 O LYS A 359 8.134 6.703 7.923 1.00 0.23 O ATOM 493 CB LYS A 359 10.353 4.454 8.876 1.00 0.23 C ATOM 494 CG LYS A 359 9.191 4.205 9.819 1.00 0.29 C ATOM 495 CD LYS A 359 9.430 2.952 10.639 1.00 0.38 C ATOM 496 CE LYS A 359 8.206 2.547 11.441 1.00 0.91 C ATOM 497 NZ LYS A 359 8.007 3.396 12.643 1.00 1.50 N ATOM 0 H LYS A 359 11.972 4.866 7.118 1.00 0.15 H new ATOM 0 HA LYS A 359 9.209 4.609 7.056 1.00 0.17 H new ATOM 0 HB2 LYS A 359 10.808 3.499 8.615 1.00 0.23 H new ATOM 0 HB3 LYS A 359 11.113 5.037 9.396 1.00 0.23 H new ATOM 0 HG2 LYS A 359 9.063 5.061 10.481 1.00 0.29 H new ATOM 0 HG3 LYS A 359 8.268 4.103 9.249 1.00 0.29 H new ATOM 0 HD2 LYS A 359 9.714 2.135 9.976 1.00 0.38 H new ATOM 0 HD3 LYS A 359 10.267 3.118 11.317 1.00 0.38 H new ATOM 0 HE2 LYS A 359 7.322 2.609 10.806 1.00 0.91 H new ATOM 0 HE3 LYS A 359 8.305 1.506 11.748 1.00 0.91 H new ATOM 0 HZ1 LYS A 359 7.159 3.079 13.156 1.00 1.50 H new ATOM 0 HZ2 LYS A 359 8.837 3.318 13.265 1.00 1.50 H new ATOM 0 HZ3 LYS A 359 7.885 4.387 12.352 1.00 1.50 H new ATOM 511 N GLU A 360 10.212 7.485 8.244 1.00 0.21 N ATOM 512 CA GLU A 360 9.762 8.801 8.651 1.00 0.27 C ATOM 513 C GLU A 360 9.214 9.602 7.479 1.00 0.24 C ATOM 514 O GLU A 360 8.212 10.298 7.616 1.00 0.37 O ATOM 515 CB GLU A 360 10.888 9.543 9.340 1.00 0.41 C ATOM 516 CG GLU A 360 11.300 8.870 10.629 1.00 0.63 C ATOM 517 CD GLU A 360 10.239 8.993 11.698 1.00 1.75 C ATOM 518 OE1 GLU A 360 10.202 10.033 12.386 1.00 1.97 O ATOM 519 OE2 GLU A 360 9.443 8.047 11.862 1.00 2.67 O ATOM 0 H GLU A 360 11.225 7.373 8.214 1.00 0.21 H new ATOM 0 HA GLU A 360 8.941 8.673 9.356 1.00 0.27 H new ATOM 0 HB2 GLU A 360 11.746 9.603 8.671 1.00 0.41 H new ATOM 0 HB3 GLU A 360 10.575 10.566 9.548 1.00 0.41 H new ATOM 0 HG2 GLU A 360 11.502 7.816 10.439 1.00 0.63 H new ATOM 0 HG3 GLU A 360 12.229 9.313 10.988 1.00 0.63 H new ATOM 526 N SER A 361 9.864 9.487 6.331 1.00 0.19 N ATOM 527 CA SER A 361 9.405 10.140 5.111 1.00 0.21 C ATOM 528 C SER A 361 8.275 9.341 4.451 1.00 0.19 C ATOM 529 O SER A 361 7.675 9.782 3.466 1.00 0.24 O ATOM 530 CB SER A 361 10.587 10.294 4.151 1.00 0.26 C ATOM 531 OG SER A 361 11.517 11.243 4.635 1.00 0.31 O ATOM 0 H SER A 361 10.719 8.943 6.217 1.00 0.19 H new ATOM 0 HA SER A 361 9.008 11.124 5.361 1.00 0.21 H new ATOM 0 HB2 SER A 361 11.081 9.331 4.020 1.00 0.26 H new ATOM 0 HB3 SER A 361 10.225 10.603 3.170 1.00 0.26 H new ATOM 0 HG SER A 361 12.159 10.799 5.227 1.00 0.31 H new ATOM 537 N LYS A 362 7.998 8.171 5.023 1.00 0.15 N ATOM 538 CA LYS A 362 6.999 7.227 4.508 1.00 0.14 C ATOM 539 C LYS A 362 7.348 6.716 3.107 1.00 0.12 C ATOM 540 O LYS A 362 6.470 6.497 2.274 1.00 0.15 O ATOM 541 CB LYS A 362 5.583 7.814 4.534 1.00 0.20 C ATOM 542 CG LYS A 362 4.918 7.733 5.899 1.00 0.48 C ATOM 543 CD LYS A 362 5.620 8.633 6.894 1.00 0.48 C ATOM 544 CE LYS A 362 5.151 8.416 8.322 1.00 0.51 C ATOM 545 NZ LYS A 362 5.722 9.442 9.237 1.00 1.23 N ATOM 0 H LYS A 362 8.465 7.844 5.869 1.00 0.15 H new ATOM 0 HA LYS A 362 7.018 6.372 5.184 1.00 0.14 H new ATOM 0 HB2 LYS A 362 5.625 8.857 4.220 1.00 0.20 H new ATOM 0 HB3 LYS A 362 4.966 7.287 3.806 1.00 0.20 H new ATOM 0 HG2 LYS A 362 3.871 8.023 5.816 1.00 0.48 H new ATOM 0 HG3 LYS A 362 4.937 6.704 6.257 1.00 0.48 H new ATOM 0 HD2 LYS A 362 6.694 8.458 6.839 1.00 0.48 H new ATOM 0 HD3 LYS A 362 5.452 9.674 6.616 1.00 0.48 H new ATOM 0 HE2 LYS A 362 4.062 8.456 8.360 1.00 0.51 H new ATOM 0 HE3 LYS A 362 5.445 7.421 8.657 1.00 0.51 H new ATOM 0 HZ1 LYS A 362 5.961 9.000 10.148 1.00 1.23 H new ATOM 0 HZ2 LYS A 362 6.581 9.846 8.812 1.00 1.23 H new ATOM 0 HZ3 LYS A 362 5.024 10.197 9.391 1.00 1.23 H new ATOM 559 N ILE A 363 8.635 6.535 2.856 1.00 0.09 N ATOM 560 CA ILE A 363 9.114 5.869 1.660 1.00 0.09 C ATOM 561 C ILE A 363 9.278 4.384 1.934 1.00 0.08 C ATOM 562 O ILE A 363 9.894 4.001 2.926 1.00 0.10 O ATOM 563 CB ILE A 363 10.476 6.439 1.213 1.00 0.10 C ATOM 564 CG1 ILE A 363 10.331 7.823 0.595 1.00 0.16 C ATOM 565 CG2 ILE A 363 11.166 5.508 0.248 1.00 0.13 C ATOM 566 CD1 ILE A 363 9.828 8.836 1.534 1.00 0.46 C ATOM 0 H ILE A 363 9.378 6.848 3.480 1.00 0.09 H new ATOM 0 HA ILE A 363 8.383 6.034 0.868 1.00 0.09 H new ATOM 0 HB ILE A 363 11.092 6.531 2.108 1.00 0.10 H new ATOM 0 HG12 ILE A 363 11.300 8.144 0.211 1.00 0.16 H new ATOM 0 HG13 ILE A 363 9.655 7.762 -0.258 1.00 0.16 H new ATOM 0 HG21 ILE A 363 12.123 5.936 -0.049 1.00 0.13 H new ATOM 0 HG22 ILE A 363 11.333 4.544 0.729 1.00 0.13 H new ATOM 0 HG23 ILE A 363 10.541 5.370 -0.634 1.00 0.13 H new ATOM 0 HD11 ILE A 363 9.750 9.797 1.025 1.00 0.46 H new ATOM 0 HD12 ILE A 363 8.845 8.538 1.899 1.00 0.46 H new ATOM 0 HD13 ILE A 363 10.515 8.926 2.375 1.00 0.46 H new ATOM 578 N PHE A 364 8.754 3.554 1.056 1.00 0.09 N ATOM 579 CA PHE A 364 8.856 2.122 1.228 1.00 0.09 C ATOM 580 C PHE A 364 9.168 1.459 -0.110 1.00 0.10 C ATOM 581 O PHE A 364 8.777 1.951 -1.167 1.00 0.13 O ATOM 582 CB PHE A 364 7.558 1.569 1.828 1.00 0.09 C ATOM 583 CG PHE A 364 6.396 1.537 0.884 1.00 0.08 C ATOM 584 CD1 PHE A 364 6.175 0.438 0.077 1.00 0.12 C ATOM 585 CD2 PHE A 364 5.527 2.598 0.819 1.00 0.13 C ATOM 586 CE1 PHE A 364 5.097 0.400 -0.785 1.00 0.12 C ATOM 587 CE2 PHE A 364 4.445 2.574 -0.041 1.00 0.14 C ATOM 588 CZ PHE A 364 4.230 1.470 -0.846 1.00 0.08 C ATOM 0 H PHE A 364 8.254 3.847 0.217 1.00 0.09 H new ATOM 0 HA PHE A 364 9.670 1.899 1.918 1.00 0.09 H new ATOM 0 HB2 PHE A 364 7.743 0.557 2.189 1.00 0.09 H new ATOM 0 HB3 PHE A 364 7.288 2.173 2.694 1.00 0.09 H new ATOM 0 HD1 PHE A 364 6.853 -0.401 0.121 1.00 0.12 H new ATOM 0 HD2 PHE A 364 5.691 3.461 1.447 1.00 0.13 H new ATOM 0 HE1 PHE A 364 4.934 -0.466 -1.410 1.00 0.12 H new ATOM 0 HE2 PHE A 364 3.769 3.415 -0.084 1.00 0.14 H new ATOM 0 HZ PHE A 364 3.386 1.446 -1.520 1.00 0.08 H new ATOM 598 N ARG A 365 9.908 0.370 -0.061 1.00 0.10 N ATOM 599 CA ARG A 365 10.177 -0.427 -1.238 1.00 0.12 C ATOM 600 C ARG A 365 9.400 -1.728 -1.159 1.00 0.11 C ATOM 601 O ARG A 365 9.467 -2.424 -0.145 1.00 0.18 O ATOM 602 CB ARG A 365 11.669 -0.744 -1.313 1.00 0.17 C ATOM 603 CG ARG A 365 12.049 -1.624 -2.489 1.00 0.17 C ATOM 604 CD ARG A 365 12.684 -0.819 -3.608 1.00 0.31 C ATOM 605 NE ARG A 365 14.118 -1.085 -3.695 1.00 0.77 N ATOM 606 CZ ARG A 365 15.052 -0.433 -3.002 1.00 0.63 C ATOM 607 NH1 ARG A 365 14.722 0.591 -2.227 1.00 1.48 N ATOM 608 NH2 ARG A 365 16.319 -0.809 -3.091 1.00 0.99 N ATOM 0 H ARG A 365 10.338 0.014 0.793 1.00 0.10 H new ATOM 0 HA ARG A 365 9.874 0.131 -2.124 1.00 0.12 H new ATOM 0 HB2 ARG A 365 12.227 0.190 -1.375 1.00 0.17 H new ATOM 0 HB3 ARG A 365 11.973 -1.236 -0.389 1.00 0.17 H new ATOM 0 HG2 ARG A 365 12.743 -2.396 -2.157 1.00 0.17 H new ATOM 0 HG3 ARG A 365 11.161 -2.133 -2.865 1.00 0.17 H new ATOM 0 HD2 ARG A 365 12.206 -1.067 -4.556 1.00 0.31 H new ATOM 0 HD3 ARG A 365 12.517 0.244 -3.436 1.00 0.31 H new ATOM 0 HE ARG A 365 14.426 -1.821 -4.330 1.00 0.77 H new ATOM 0 HH11 ARG A 365 13.748 0.885 -2.158 1.00 1.48 H new ATOM 0 HH12 ARG A 365 15.442 1.085 -1.700 1.00 1.48 H new ATOM 0 HH21 ARG A 365 16.577 -1.595 -3.688 1.00 0.99 H new ATOM 0 HH22 ARG A 365 17.037 -0.313 -2.562 1.00 0.99 H new ATOM 622 N ILE A 366 8.650 -2.053 -2.198 1.00 0.07 N ATOM 623 CA ILE A 366 8.075 -3.366 -2.295 1.00 0.06 C ATOM 624 C ILE A 366 9.168 -4.337 -2.677 1.00 0.07 C ATOM 625 O ILE A 366 9.708 -4.310 -3.781 1.00 0.10 O ATOM 626 CB ILE A 366 6.898 -3.407 -3.281 1.00 0.06 C ATOM 627 CG1 ILE A 366 5.706 -2.679 -2.650 1.00 0.07 C ATOM 628 CG2 ILE A 366 6.541 -4.846 -3.643 1.00 0.07 C ATOM 629 CD1 ILE A 366 4.587 -2.395 -3.609 1.00 0.09 C ATOM 0 H ILE A 366 8.432 -1.428 -2.974 1.00 0.07 H new ATOM 0 HA ILE A 366 7.658 -3.652 -1.329 1.00 0.06 H new ATOM 0 HB ILE A 366 7.177 -2.906 -4.208 1.00 0.06 H new ATOM 0 HG12 ILE A 366 5.321 -3.280 -1.826 1.00 0.07 H new ATOM 0 HG13 ILE A 366 6.053 -1.738 -2.223 1.00 0.07 H new ATOM 0 HG21 ILE A 366 5.705 -4.849 -4.342 1.00 0.07 H new ATOM 0 HG22 ILE A 366 7.402 -5.329 -4.105 1.00 0.07 H new ATOM 0 HG23 ILE A 366 6.261 -5.389 -2.741 1.00 0.07 H new ATOM 0 HD11 ILE A 366 3.782 -1.879 -3.086 1.00 0.09 H new ATOM 0 HD12 ILE A 366 4.954 -1.767 -4.421 1.00 0.09 H new ATOM 0 HD13 ILE A 366 4.211 -3.333 -4.018 1.00 0.09 H new ATOM 641 N VAL A 367 9.519 -5.149 -1.721 1.00 0.07 N ATOM 642 CA VAL A 367 10.674 -6.014 -1.834 1.00 0.08 C ATOM 643 C VAL A 367 10.347 -7.262 -2.644 1.00 0.09 C ATOM 644 O VAL A 367 11.114 -7.667 -3.522 1.00 0.12 O ATOM 645 CB VAL A 367 11.187 -6.375 -0.434 1.00 0.09 C ATOM 646 CG1 VAL A 367 12.339 -7.349 -0.510 1.00 0.12 C ATOM 647 CG2 VAL A 367 11.598 -5.108 0.299 1.00 0.10 C ATOM 0 H VAL A 367 9.016 -5.235 -0.838 1.00 0.07 H new ATOM 0 HA VAL A 367 11.462 -5.483 -2.367 1.00 0.08 H new ATOM 0 HB VAL A 367 10.384 -6.862 0.119 1.00 0.09 H new ATOM 0 HG11 VAL A 367 12.682 -7.586 0.497 1.00 0.12 H new ATOM 0 HG12 VAL A 367 12.011 -8.262 -1.007 1.00 0.12 H new ATOM 0 HG13 VAL A 367 13.157 -6.902 -1.076 1.00 0.12 H new ATOM 0 HG21 VAL A 367 11.962 -5.365 1.294 1.00 0.10 H new ATOM 0 HG22 VAL A 367 12.388 -4.605 -0.258 1.00 0.10 H new ATOM 0 HG23 VAL A 367 10.738 -4.444 0.388 1.00 0.10 H new ATOM 657 N ASP A 368 9.202 -7.848 -2.354 1.00 0.08 N ATOM 658 CA ASP A 368 8.687 -8.962 -3.131 1.00 0.09 C ATOM 659 C ASP A 368 7.187 -8.802 -3.279 1.00 0.08 C ATOM 660 O ASP A 368 6.405 -9.230 -2.432 1.00 0.09 O ATOM 661 CB ASP A 368 9.026 -10.301 -2.490 1.00 0.12 C ATOM 662 CG ASP A 368 8.729 -11.484 -3.398 1.00 0.22 C ATOM 663 OD1 ASP A 368 7.534 -11.771 -3.631 1.00 0.45 O ATOM 664 OD2 ASP A 368 9.677 -12.129 -3.889 1.00 0.78 O ATOM 0 H ASP A 368 8.603 -7.568 -1.577 1.00 0.08 H new ATOM 0 HA ASP A 368 9.159 -8.954 -4.113 1.00 0.09 H new ATOM 0 HB2 ASP A 368 10.082 -10.312 -2.221 1.00 0.12 H new ATOM 0 HB3 ASP A 368 8.460 -10.409 -1.565 1.00 0.12 H new ATOM 669 N PRO A 369 6.791 -8.145 -4.363 1.00 0.09 N ATOM 670 CA PRO A 369 5.400 -7.799 -4.659 1.00 0.10 C ATOM 671 C PRO A 369 4.497 -9.014 -4.742 1.00 0.12 C ATOM 672 O PRO A 369 3.321 -8.950 -4.397 1.00 0.14 O ATOM 673 CB PRO A 369 5.493 -7.105 -6.022 1.00 0.12 C ATOM 674 CG PRO A 369 6.806 -7.516 -6.577 1.00 0.12 C ATOM 675 CD PRO A 369 7.702 -7.681 -5.401 1.00 0.10 C ATOM 0 HA PRO A 369 4.961 -7.181 -3.875 1.00 0.10 H new ATOM 0 HB2 PRO A 369 4.676 -7.410 -6.676 1.00 0.12 H new ATOM 0 HB3 PRO A 369 5.431 -6.022 -5.918 1.00 0.12 H new ATOM 0 HG2 PRO A 369 6.721 -8.446 -7.139 1.00 0.12 H new ATOM 0 HG3 PRO A 369 7.194 -6.764 -7.264 1.00 0.12 H new ATOM 0 HD2 PRO A 369 8.495 -8.403 -5.595 1.00 0.10 H new ATOM 0 HD3 PRO A 369 8.185 -6.743 -5.126 1.00 0.10 H new ATOM 683 N ASN A 370 5.056 -10.118 -5.198 1.00 0.13 N ATOM 684 CA ASN A 370 4.318 -11.363 -5.290 1.00 0.17 C ATOM 685 C ASN A 370 3.920 -11.809 -3.901 1.00 0.17 C ATOM 686 O ASN A 370 2.765 -12.140 -3.633 1.00 0.21 O ATOM 687 CB ASN A 370 5.194 -12.426 -5.923 1.00 0.21 C ATOM 688 CG ASN A 370 4.392 -13.558 -6.538 1.00 0.36 C ATOM 689 OD1 ASN A 370 4.091 -13.539 -7.732 1.00 0.62 O ATOM 690 ND2 ASN A 370 4.028 -14.542 -5.730 1.00 0.59 N ATOM 0 H ASN A 370 6.025 -10.178 -5.512 1.00 0.13 H new ATOM 0 HA ASN A 370 3.427 -11.214 -5.900 1.00 0.17 H new ATOM 0 HB2 ASN A 370 5.816 -11.968 -6.692 1.00 0.21 H new ATOM 0 HB3 ASN A 370 5.868 -12.832 -5.168 1.00 0.21 H new ATOM 0 HD21 ASN A 370 3.478 -15.321 -6.091 1.00 0.59 H new ATOM 0 HD22 ASN A 370 4.298 -14.521 -4.747 1.00 0.59 H new ATOM 697 N GLY A 371 4.904 -11.788 -3.019 1.00 0.16 N ATOM 698 CA GLY A 371 4.679 -12.127 -1.636 1.00 0.19 C ATOM 699 C GLY A 371 3.754 -11.143 -0.966 1.00 0.13 C ATOM 700 O GLY A 371 2.958 -11.506 -0.104 1.00 0.13 O ATOM 0 H GLY A 371 5.867 -11.538 -3.243 1.00 0.16 H new ATOM 0 HA2 GLY A 371 4.254 -13.129 -1.571 1.00 0.19 H new ATOM 0 HA3 GLY A 371 5.632 -12.150 -1.107 1.00 0.19 H new ATOM 704 N LEU A 372 3.841 -9.895 -1.397 1.00 0.10 N ATOM 705 CA LEU A 372 3.130 -8.815 -0.747 1.00 0.08 C ATOM 706 C LEU A 372 1.661 -8.878 -1.127 1.00 0.11 C ATOM 707 O LEU A 372 0.769 -8.701 -0.301 1.00 0.13 O ATOM 708 CB LEU A 372 3.731 -7.469 -1.166 1.00 0.08 C ATOM 709 CG LEU A 372 3.544 -6.324 -0.173 1.00 0.08 C ATOM 710 CD1 LEU A 372 2.104 -5.842 -0.139 1.00 0.10 C ATOM 711 CD2 LEU A 372 3.955 -6.784 1.207 1.00 0.09 C ATOM 0 H LEU A 372 4.401 -9.608 -2.199 1.00 0.10 H new ATOM 0 HA LEU A 372 3.223 -8.916 0.334 1.00 0.08 H new ATOM 0 HB2 LEU A 372 4.799 -7.606 -1.338 1.00 0.08 H new ATOM 0 HB3 LEU A 372 3.290 -7.175 -2.119 1.00 0.08 H new ATOM 0 HG LEU A 372 4.170 -5.492 -0.495 1.00 0.08 H new ATOM 0 HD11 LEU A 372 2.010 -5.027 0.579 1.00 0.10 H new ATOM 0 HD12 LEU A 372 1.815 -5.489 -1.129 1.00 0.10 H new ATOM 0 HD13 LEU A 372 1.452 -6.664 0.158 1.00 0.10 H new ATOM 0 HD21 LEU A 372 3.822 -5.968 1.917 1.00 0.09 H new ATOM 0 HD22 LEU A 372 3.337 -7.630 1.507 1.00 0.09 H new ATOM 0 HD23 LEU A 372 5.002 -7.086 1.193 1.00 0.09 H new ATOM 723 N ALA A 373 1.429 -9.144 -2.395 1.00 0.12 N ATOM 724 CA ALA A 373 0.088 -9.222 -2.931 1.00 0.15 C ATOM 725 C ALA A 373 -0.638 -10.442 -2.399 1.00 0.14 C ATOM 726 O ALA A 373 -1.858 -10.436 -2.245 1.00 0.16 O ATOM 727 CB ALA A 373 0.147 -9.266 -4.431 1.00 0.20 C ATOM 0 H ALA A 373 2.164 -9.312 -3.082 1.00 0.12 H new ATOM 0 HA ALA A 373 -0.465 -8.337 -2.616 1.00 0.15 H new ATOM 0 HB1 ALA A 373 -0.864 -9.325 -4.833 1.00 0.20 H new ATOM 0 HB2 ALA A 373 0.634 -8.364 -4.803 1.00 0.20 H new ATOM 0 HB3 ALA A 373 0.715 -10.141 -4.747 1.00 0.20 H new ATOM 733 N ARG A 374 0.119 -11.496 -2.129 1.00 0.14 N ATOM 734 CA ARG A 374 -0.447 -12.684 -1.525 1.00 0.17 C ATOM 735 C ARG A 374 -0.913 -12.359 -0.106 1.00 0.14 C ATOM 736 O ARG A 374 -1.886 -12.925 0.385 1.00 0.16 O ATOM 737 CB ARG A 374 0.570 -13.835 -1.550 1.00 0.24 C ATOM 738 CG ARG A 374 1.059 -14.278 -0.192 1.00 0.28 C ATOM 739 CD ARG A 374 1.787 -15.605 -0.284 1.00 0.47 C ATOM 740 NE ARG A 374 0.958 -16.633 -0.911 1.00 1.44 N ATOM 741 CZ ARG A 374 0.498 -17.712 -0.280 1.00 2.04 C ATOM 742 NH1 ARG A 374 0.790 -17.922 0.998 1.00 2.01 N ATOM 743 NH2 ARG A 374 -0.263 -18.583 -0.927 1.00 3.03 N ATOM 0 H ARG A 374 1.120 -11.549 -2.319 1.00 0.14 H new ATOM 0 HA ARG A 374 -1.314 -13.013 -2.098 1.00 0.17 H new ATOM 0 HB2 ARG A 374 0.118 -14.689 -2.054 1.00 0.24 H new ATOM 0 HB3 ARG A 374 1.429 -13.529 -2.148 1.00 0.24 H new ATOM 0 HG2 ARG A 374 1.725 -13.522 0.223 1.00 0.28 H new ATOM 0 HG3 ARG A 374 0.214 -14.369 0.491 1.00 0.28 H new ATOM 0 HD2 ARG A 374 2.705 -15.478 -0.858 1.00 0.47 H new ATOM 0 HD3 ARG A 374 2.078 -15.931 0.715 1.00 0.47 H new ATOM 0 HE ARG A 374 0.716 -16.516 -1.895 1.00 1.44 H new ATOM 0 HH11 ARG A 374 1.371 -17.254 1.505 1.00 2.01 H new ATOM 0 HH12 ARG A 374 0.433 -18.751 1.473 1.00 2.01 H new ATOM 0 HH21 ARG A 374 -0.496 -18.427 -1.908 1.00 3.03 H new ATOM 0 HH22 ARG A 374 -0.616 -19.410 -0.444 1.00 3.03 H new ATOM 757 N LEU A 375 -0.221 -11.420 0.533 1.00 0.13 N ATOM 758 CA LEU A 375 -0.656 -10.870 1.819 1.00 0.15 C ATOM 759 C LEU A 375 -1.954 -10.108 1.623 1.00 0.16 C ATOM 760 O LEU A 375 -2.904 -10.252 2.387 1.00 0.18 O ATOM 761 CB LEU A 375 0.388 -9.896 2.370 1.00 0.17 C ATOM 762 CG LEU A 375 1.514 -10.462 3.233 1.00 0.16 C ATOM 763 CD1 LEU A 375 1.903 -11.861 2.819 1.00 0.29 C ATOM 764 CD2 LEU A 375 2.714 -9.540 3.133 1.00 0.15 C ATOM 0 H LEU A 375 0.649 -11.020 0.181 1.00 0.13 H new ATOM 0 HA LEU A 375 -0.790 -11.695 2.519 1.00 0.15 H new ATOM 0 HB2 LEU A 375 0.843 -9.381 1.524 1.00 0.17 H new ATOM 0 HB3 LEU A 375 -0.136 -9.142 2.958 1.00 0.17 H new ATOM 0 HG LEU A 375 1.160 -10.521 4.262 1.00 0.16 H new ATOM 0 HD11 LEU A 375 2.707 -12.220 3.462 1.00 0.29 H new ATOM 0 HD12 LEU A 375 1.041 -12.521 2.913 1.00 0.29 H new ATOM 0 HD13 LEU A 375 2.243 -11.853 1.783 1.00 0.29 H new ATOM 0 HD21 LEU A 375 3.526 -9.932 3.745 1.00 0.15 H new ATOM 0 HD22 LEU A 375 3.039 -9.478 2.095 1.00 0.15 H new ATOM 0 HD23 LEU A 375 2.440 -8.546 3.488 1.00 0.15 H new ATOM 776 N TRP A 376 -1.963 -9.286 0.584 1.00 0.16 N ATOM 777 CA TRP A 376 -3.120 -8.484 0.224 1.00 0.18 C ATOM 778 C TRP A 376 -4.348 -9.373 0.031 1.00 0.20 C ATOM 779 O TRP A 376 -5.414 -9.104 0.585 1.00 0.25 O ATOM 780 CB TRP A 376 -2.803 -7.699 -1.046 1.00 0.19 C ATOM 781 CG TRP A 376 -3.812 -6.651 -1.409 1.00 0.18 C ATOM 782 CD1 TRP A 376 -4.227 -6.330 -2.667 1.00 0.20 C ATOM 783 CD2 TRP A 376 -4.517 -5.773 -0.519 1.00 0.18 C ATOM 784 NE1 TRP A 376 -5.147 -5.313 -2.618 1.00 0.21 N ATOM 785 CE2 TRP A 376 -5.340 -4.955 -1.314 1.00 0.21 C ATOM 786 CE3 TRP A 376 -4.534 -5.597 0.867 1.00 0.19 C ATOM 787 CZ2 TRP A 376 -6.167 -3.983 -0.772 1.00 0.24 C ATOM 788 CZ3 TRP A 376 -5.355 -4.625 1.402 1.00 0.22 C ATOM 789 CH2 TRP A 376 -6.161 -3.831 0.582 1.00 0.24 C ATOM 0 H TRP A 376 -1.163 -9.157 -0.035 1.00 0.16 H new ATOM 0 HA TRP A 376 -3.347 -7.783 1.028 1.00 0.18 H new ATOM 0 HB2 TRP A 376 -1.831 -7.221 -0.927 1.00 0.19 H new ATOM 0 HB3 TRP A 376 -2.714 -8.400 -1.876 1.00 0.19 H new ATOM 0 HD1 TRP A 376 -3.881 -6.807 -3.572 1.00 0.20 H new ATOM 0 HE1 TRP A 376 -5.611 -4.893 -3.424 1.00 0.21 H new ATOM 0 HE3 TRP A 376 -3.917 -6.210 1.507 1.00 0.19 H new ATOM 0 HZ2 TRP A 376 -6.794 -3.368 -1.401 1.00 0.24 H new ATOM 0 HZ3 TRP A 376 -5.375 -4.476 2.471 1.00 0.22 H new ATOM 0 HH2 TRP A 376 -6.793 -3.080 1.032 1.00 0.24 H new ATOM 800 N GLY A 377 -4.188 -10.443 -0.739 1.00 0.21 N ATOM 801 CA GLY A 377 -5.260 -11.404 -0.905 1.00 0.27 C ATOM 802 C GLY A 377 -5.608 -12.105 0.394 1.00 0.30 C ATOM 803 O GLY A 377 -6.777 -12.340 0.681 1.00 0.38 O ATOM 0 H GLY A 377 -3.334 -10.662 -1.252 1.00 0.21 H new ATOM 0 HA2 GLY A 377 -6.144 -10.896 -1.290 1.00 0.27 H new ATOM 0 HA3 GLY A 377 -4.969 -12.145 -1.649 1.00 0.27 H new ATOM 807 N ASN A 378 -4.585 -12.432 1.180 1.00 0.27 N ATOM 808 CA ASN A 378 -4.773 -13.047 2.496 1.00 0.30 C ATOM 809 C ASN A 378 -5.632 -12.161 3.397 1.00 0.30 C ATOM 810 O ASN A 378 -6.494 -12.644 4.132 1.00 0.35 O ATOM 811 CB ASN A 378 -3.420 -13.308 3.160 1.00 0.32 C ATOM 812 CG ASN A 378 -2.957 -14.746 3.040 1.00 0.38 C ATOM 813 OD1 ASN A 378 -3.322 -15.603 3.844 1.00 0.76 O ATOM 814 ND2 ASN A 378 -2.126 -15.011 2.051 1.00 0.42 N ATOM 0 H ASN A 378 -3.608 -12.281 0.927 1.00 0.27 H new ATOM 0 HA ASN A 378 -5.289 -13.996 2.353 1.00 0.30 H new ATOM 0 HB2 ASN A 378 -2.672 -12.655 2.711 1.00 0.32 H new ATOM 0 HB3 ASN A 378 -3.484 -13.042 4.215 1.00 0.32 H new ATOM 0 HD21 ASN A 378 -1.761 -15.956 1.931 1.00 0.42 H new ATOM 0 HD22 ASN A 378 -1.848 -14.271 1.406 1.00 0.42 H new ATOM 821 N HIS A 379 -5.390 -10.860 3.320 1.00 0.28 N ATOM 822 CA HIS A 379 -6.120 -9.879 4.113 1.00 0.30 C ATOM 823 C HIS A 379 -7.551 -9.709 3.607 1.00 0.32 C ATOM 824 O HIS A 379 -8.495 -9.648 4.397 1.00 0.38 O ATOM 825 CB HIS A 379 -5.373 -8.538 4.071 1.00 0.28 C ATOM 826 CG HIS A 379 -6.108 -7.382 4.686 1.00 0.32 C ATOM 827 ND1 HIS A 379 -6.115 -7.169 6.044 1.00 0.43 N ATOM 828 CD2 HIS A 379 -6.811 -6.394 4.080 1.00 0.31 C ATOM 829 CE1 HIS A 379 -6.816 -6.063 6.229 1.00 0.46 C ATOM 830 NE2 HIS A 379 -7.257 -5.558 5.068 1.00 0.38 N ATOM 0 H HIS A 379 -4.683 -10.454 2.707 1.00 0.28 H new ATOM 0 HA HIS A 379 -6.177 -10.234 5.142 1.00 0.30 H new ATOM 0 HB2 HIS A 379 -4.418 -8.655 4.583 1.00 0.28 H new ATOM 0 HB3 HIS A 379 -5.150 -8.296 3.032 1.00 0.28 H new ATOM 0 HD2 HIS A 379 -6.986 -6.287 3.020 1.00 0.31 H new ATOM 0 HE1 HIS A 379 -7.009 -5.621 7.195 1.00 0.46 H new ATOM 0 HE2 HIS A 379 -7.817 -4.714 4.945 1.00 0.38 H new ATOM 838 N LYS A 380 -7.713 -9.641 2.291 1.00 0.32 N ATOM 839 CA LYS A 380 -9.022 -9.382 1.706 1.00 0.36 C ATOM 840 C LYS A 380 -9.792 -10.675 1.452 1.00 0.41 C ATOM 841 O LYS A 380 -10.868 -10.657 0.858 1.00 0.45 O ATOM 842 CB LYS A 380 -8.885 -8.593 0.405 1.00 0.36 C ATOM 843 CG LYS A 380 -8.045 -7.334 0.547 1.00 0.38 C ATOM 844 CD LYS A 380 -8.439 -6.277 -0.470 1.00 0.63 C ATOM 845 CE LYS A 380 -8.348 -6.796 -1.892 1.00 0.33 C ATOM 846 NZ LYS A 380 -8.651 -5.730 -2.893 1.00 0.77 N ATOM 0 H LYS A 380 -6.960 -9.761 1.613 1.00 0.32 H new ATOM 0 HA LYS A 380 -9.586 -8.789 2.425 1.00 0.36 H new ATOM 0 HB2 LYS A 380 -8.439 -9.235 -0.355 1.00 0.36 H new ATOM 0 HB3 LYS A 380 -9.878 -8.320 0.048 1.00 0.36 H new ATOM 0 HG2 LYS A 380 -8.160 -6.931 1.553 1.00 0.38 H new ATOM 0 HG3 LYS A 380 -6.991 -7.584 0.422 1.00 0.38 H new ATOM 0 HD2 LYS A 380 -9.457 -5.943 -0.270 1.00 0.63 H new ATOM 0 HD3 LYS A 380 -7.791 -5.408 -0.359 1.00 0.63 H new ATOM 0 HE2 LYS A 380 -7.347 -7.189 -2.072 1.00 0.33 H new ATOM 0 HE3 LYS A 380 -9.044 -7.625 -2.022 1.00 0.33 H new ATOM 0 HZ1 LYS A 380 -8.578 -6.124 -3.853 1.00 0.77 H new ATOM 0 HZ2 LYS A 380 -9.615 -5.372 -2.738 1.00 0.77 H new ATOM 0 HZ3 LYS A 380 -7.971 -4.950 -2.787 1.00 0.77 H new ATOM 943 N THR A 386 -3.396 -10.332 -7.067 1.00 0.23 N ATOM 944 CA THR A 386 -2.020 -10.299 -7.509 1.00 0.24 C ATOM 945 C THR A 386 -1.421 -8.922 -7.304 1.00 0.16 C ATOM 946 O THR A 386 -2.114 -8.002 -6.856 1.00 0.18 O ATOM 947 CB THR A 386 -1.903 -10.698 -8.989 1.00 0.33 C ATOM 948 OG1 THR A 386 -2.519 -9.707 -9.816 1.00 0.34 O ATOM 949 CG2 THR A 386 -2.579 -12.033 -9.231 1.00 0.44 C ATOM 0 HA THR A 386 -1.466 -11.020 -6.908 1.00 0.24 H new ATOM 0 HB THR A 386 -0.845 -10.778 -9.239 1.00 0.33 H new ATOM 0 HG1 THR A 386 -2.869 -10.130 -10.628 1.00 0.34 H new ATOM 0 HG21 THR A 386 -2.488 -12.302 -10.283 1.00 0.44 H new ATOM 0 HG22 THR A 386 -2.103 -12.798 -8.618 1.00 0.44 H new ATOM 0 HG23 THR A 386 -3.634 -11.960 -8.965 1.00 0.44 H new ATOM 957 N TYR A 387 -0.146 -8.762 -7.632 1.00 0.16 N ATOM 958 CA TYR A 387 0.482 -7.459 -7.521 1.00 0.13 C ATOM 959 C TYR A 387 -0.120 -6.528 -8.555 1.00 0.14 C ATOM 960 O TYR A 387 -0.157 -5.317 -8.366 1.00 0.17 O ATOM 961 CB TYR A 387 1.992 -7.520 -7.701 1.00 0.15 C ATOM 962 CG TYR A 387 2.603 -6.165 -7.471 1.00 0.13 C ATOM 963 CD1 TYR A 387 2.536 -5.578 -6.215 1.00 0.12 C ATOM 964 CD2 TYR A 387 3.192 -5.444 -8.504 1.00 0.14 C ATOM 965 CE1 TYR A 387 3.041 -4.326 -5.993 1.00 0.12 C ATOM 966 CE2 TYR A 387 3.695 -4.179 -8.288 1.00 0.14 C ATOM 967 CZ TYR A 387 3.617 -3.623 -7.030 1.00 0.12 C ATOM 968 OH TYR A 387 4.115 -2.362 -6.815 1.00 0.13 O ATOM 0 H TYR A 387 0.463 -9.507 -7.971 1.00 0.16 H new ATOM 0 HA TYR A 387 0.296 -7.087 -6.514 1.00 0.13 H new ATOM 0 HB2 TYR A 387 2.419 -8.241 -7.004 1.00 0.15 H new ATOM 0 HB3 TYR A 387 2.231 -7.868 -8.706 1.00 0.15 H new ATOM 0 HD1 TYR A 387 2.078 -6.118 -5.400 1.00 0.12 H new ATOM 0 HD2 TYR A 387 3.256 -5.881 -9.489 1.00 0.14 H new ATOM 0 HE1 TYR A 387 2.989 -3.889 -5.007 1.00 0.12 H new ATOM 0 HE2 TYR A 387 4.147 -3.628 -9.099 1.00 0.14 H new ATOM 0 HH TYR A 387 3.603 -1.925 -6.102 1.00 0.13 H new ATOM 978 N GLU A 388 -0.599 -7.108 -9.646 1.00 0.17 N ATOM 979 CA GLU A 388 -1.332 -6.358 -10.647 1.00 0.24 C ATOM 980 C GLU A 388 -2.515 -5.652 -9.989 1.00 0.25 C ATOM 981 O GLU A 388 -2.719 -4.452 -10.174 1.00 0.31 O ATOM 982 CB GLU A 388 -1.811 -7.297 -11.753 1.00 0.30 C ATOM 983 CG GLU A 388 -2.773 -6.659 -12.733 1.00 0.44 C ATOM 984 CD GLU A 388 -3.229 -7.625 -13.802 1.00 1.53 C ATOM 985 OE1 GLU A 388 -4.032 -8.530 -13.491 1.00 2.21 O ATOM 986 OE2 GLU A 388 -2.782 -7.485 -14.961 1.00 1.96 O ATOM 0 H GLU A 388 -0.491 -8.100 -9.858 1.00 0.17 H new ATOM 0 HA GLU A 388 -0.679 -5.608 -11.093 1.00 0.24 H new ATOM 0 HB2 GLU A 388 -0.944 -7.668 -12.300 1.00 0.30 H new ATOM 0 HB3 GLU A 388 -2.294 -8.161 -11.297 1.00 0.30 H new ATOM 0 HG2 GLU A 388 -3.642 -6.282 -12.193 1.00 0.44 H new ATOM 0 HG3 GLU A 388 -2.293 -5.801 -13.203 1.00 0.44 H new ATOM 993 N LYS A 389 -3.264 -6.407 -9.187 1.00 0.23 N ATOM 994 CA LYS A 389 -4.407 -5.865 -8.457 1.00 0.28 C ATOM 995 C LYS A 389 -3.967 -4.792 -7.462 1.00 0.28 C ATOM 996 O LYS A 389 -4.628 -3.764 -7.310 1.00 0.40 O ATOM 997 CB LYS A 389 -5.154 -6.976 -7.718 1.00 0.32 C ATOM 998 CG LYS A 389 -6.062 -7.820 -8.601 1.00 0.45 C ATOM 999 CD LYS A 389 -5.288 -8.599 -9.650 1.00 0.33 C ATOM 1000 CE LYS A 389 -6.227 -9.320 -10.600 1.00 0.46 C ATOM 1001 NZ LYS A 389 -5.508 -9.900 -11.763 1.00 1.39 N ATOM 0 H LYS A 389 -3.098 -7.400 -9.026 1.00 0.23 H new ATOM 0 HA LYS A 389 -5.077 -5.410 -9.187 1.00 0.28 H new ATOM 0 HB2 LYS A 389 -4.426 -7.629 -7.238 1.00 0.32 H new ATOM 0 HB3 LYS A 389 -5.753 -6.529 -6.925 1.00 0.32 H new ATOM 0 HG2 LYS A 389 -6.626 -8.515 -7.979 1.00 0.45 H new ATOM 0 HG3 LYS A 389 -6.788 -7.173 -9.094 1.00 0.45 H new ATOM 0 HD2 LYS A 389 -4.648 -7.920 -10.213 1.00 0.33 H new ATOM 0 HD3 LYS A 389 -4.634 -9.322 -9.162 1.00 0.33 H new ATOM 0 HE2 LYS A 389 -6.746 -10.114 -10.063 1.00 0.46 H new ATOM 0 HE3 LYS A 389 -6.988 -8.624 -10.955 1.00 0.46 H new ATOM 0 HZ1 LYS A 389 -6.194 -10.324 -12.419 1.00 1.39 H new ATOM 0 HZ2 LYS A 389 -4.978 -9.151 -12.252 1.00 1.39 H new ATOM 0 HZ3 LYS A 389 -4.847 -10.632 -11.433 1.00 1.39 H new ATOM 1015 N MET A 390 -2.849 -5.041 -6.791 1.00 0.19 N ATOM 1016 CA MET A 390 -2.288 -4.085 -5.842 1.00 0.17 C ATOM 1017 C MET A 390 -1.831 -2.813 -6.552 1.00 0.16 C ATOM 1018 O MET A 390 -2.089 -1.701 -6.089 1.00 0.17 O ATOM 1019 CB MET A 390 -1.109 -4.717 -5.102 1.00 0.15 C ATOM 1020 CG MET A 390 -0.418 -3.760 -4.149 1.00 0.14 C ATOM 1021 SD MET A 390 0.914 -4.536 -3.219 1.00 0.18 S ATOM 1022 CE MET A 390 1.481 -3.145 -2.243 1.00 1.57 C ATOM 0 H MET A 390 -2.310 -5.902 -6.887 1.00 0.19 H new ATOM 0 HA MET A 390 -3.066 -3.818 -5.126 1.00 0.17 H new ATOM 0 HB2 MET A 390 -1.462 -5.584 -4.543 1.00 0.15 H new ATOM 0 HB3 MET A 390 -0.384 -5.081 -5.830 1.00 0.15 H new ATOM 0 HG2 MET A 390 -0.017 -2.919 -4.714 1.00 0.14 H new ATOM 0 HG3 MET A 390 -1.152 -3.355 -3.453 1.00 0.14 H new ATOM 0 HE1 MET A 390 2.480 -3.353 -1.859 1.00 1.57 H new ATOM 0 HE2 MET A 390 1.511 -2.251 -2.866 1.00 1.57 H new ATOM 0 HE3 MET A 390 0.798 -2.983 -1.409 1.00 1.57 H new ATOM 1032 N SER A 391 -1.150 -2.992 -7.678 1.00 0.15 N ATOM 1033 CA SER A 391 -0.663 -1.881 -8.481 1.00 0.17 C ATOM 1034 C SER A 391 -1.822 -0.968 -8.878 1.00 0.19 C ATOM 1035 O SER A 391 -1.693 0.249 -8.836 1.00 0.21 O ATOM 1036 CB SER A 391 0.053 -2.420 -9.726 1.00 0.23 C ATOM 1037 OG SER A 391 0.645 -1.383 -10.490 1.00 1.02 O ATOM 0 H SER A 391 -0.921 -3.911 -8.058 1.00 0.15 H new ATOM 0 HA SER A 391 0.045 -1.296 -7.894 1.00 0.17 H new ATOM 0 HB2 SER A 391 0.822 -3.131 -9.423 1.00 0.23 H new ATOM 0 HB3 SER A 391 -0.659 -2.966 -10.346 1.00 0.23 H new ATOM 0 HG SER A 391 1.092 -1.768 -11.273 1.00 1.02 H new ATOM 1043 N ARG A 392 -2.961 -1.568 -9.234 1.00 0.21 N ATOM 1044 CA ARG A 392 -4.169 -0.808 -9.567 1.00 0.26 C ATOM 1045 C ARG A 392 -4.495 0.178 -8.466 1.00 0.22 C ATOM 1046 O ARG A 392 -4.662 1.378 -8.705 1.00 0.30 O ATOM 1047 CB ARG A 392 -5.355 -1.744 -9.727 1.00 0.38 C ATOM 1048 CG ARG A 392 -5.152 -2.808 -10.771 1.00 1.12 C ATOM 1049 CD ARG A 392 -5.281 -2.249 -12.179 1.00 2.05 C ATOM 1050 NE ARG A 392 -6.561 -1.569 -12.387 1.00 2.61 N ATOM 1051 CZ ARG A 392 -7.395 -1.834 -13.395 1.00 3.35 C ATOM 1052 NH1 ARG A 392 -7.124 -2.813 -14.250 1.00 3.75 N ATOM 1053 NH2 ARG A 392 -8.510 -1.131 -13.531 1.00 4.06 N ATOM 0 H ARG A 392 -3.072 -2.580 -9.299 1.00 0.21 H new ATOM 0 HA ARG A 392 -3.980 -0.277 -10.500 1.00 0.26 H new ATOM 0 HB2 ARG A 392 -5.560 -2.222 -8.769 1.00 0.38 H new ATOM 0 HB3 ARG A 392 -6.237 -1.158 -9.986 1.00 0.38 H new ATOM 0 HG2 ARG A 392 -4.166 -3.256 -10.647 1.00 1.12 H new ATOM 0 HG3 ARG A 392 -5.884 -3.603 -10.627 1.00 1.12 H new ATOM 0 HD2 ARG A 392 -4.465 -1.551 -12.367 1.00 2.05 H new ATOM 0 HD3 ARG A 392 -5.180 -3.059 -12.901 1.00 2.05 H new ATOM 0 HE ARG A 392 -6.833 -0.847 -11.719 1.00 2.61 H new ATOM 0 HH11 ARG A 392 -6.275 -3.367 -14.138 1.00 3.75 H new ATOM 0 HH12 ARG A 392 -7.765 -3.011 -15.018 1.00 3.75 H new ATOM 0 HH21 ARG A 392 -8.729 -0.389 -12.866 1.00 4.06 H new ATOM 0 HH22 ARG A 392 -9.149 -1.332 -14.300 1.00 4.06 H new ATOM 1067 N ALA A 393 -4.598 -0.354 -7.259 1.00 0.19 N ATOM 1068 CA ALA A 393 -4.856 0.452 -6.080 1.00 0.17 C ATOM 1069 C ALA A 393 -3.812 1.555 -5.932 1.00 0.12 C ATOM 1070 O ALA A 393 -4.155 2.696 -5.638 1.00 0.14 O ATOM 1071 CB ALA A 393 -4.890 -0.423 -4.838 1.00 0.20 C ATOM 0 H ALA A 393 -4.505 -1.352 -7.071 1.00 0.19 H new ATOM 0 HA ALA A 393 -5.830 0.926 -6.198 1.00 0.17 H new ATOM 0 HB1 ALA A 393 -5.084 0.196 -3.962 1.00 0.20 H new ATOM 0 HB2 ALA A 393 -5.680 -1.167 -4.939 1.00 0.20 H new ATOM 0 HB3 ALA A 393 -3.930 -0.926 -4.721 1.00 0.20 H new ATOM 1077 N LEU A 394 -2.545 1.222 -6.183 1.00 0.13 N ATOM 1078 CA LEU A 394 -1.454 2.182 -6.036 1.00 0.10 C ATOM 1079 C LEU A 394 -1.622 3.314 -7.029 1.00 0.11 C ATOM 1080 O LEU A 394 -1.549 4.486 -6.671 1.00 0.12 O ATOM 1081 CB LEU A 394 -0.106 1.491 -6.259 1.00 0.11 C ATOM 1082 CG LEU A 394 0.253 0.443 -5.216 1.00 0.12 C ATOM 1083 CD1 LEU A 394 1.445 -0.376 -5.675 1.00 0.13 C ATOM 1084 CD2 LEU A 394 0.554 1.123 -3.900 1.00 0.13 C ATOM 0 H LEU A 394 -2.251 0.295 -6.489 1.00 0.13 H new ATOM 0 HA LEU A 394 -1.479 2.587 -5.025 1.00 0.10 H new ATOM 0 HB2 LEU A 394 -0.114 1.018 -7.241 1.00 0.11 H new ATOM 0 HB3 LEU A 394 0.677 2.249 -6.276 1.00 0.11 H new ATOM 0 HG LEU A 394 -0.592 -0.233 -5.084 1.00 0.12 H new ATOM 0 HD11 LEU A 394 1.688 -1.121 -4.917 1.00 0.13 H new ATOM 0 HD12 LEU A 394 1.203 -0.877 -6.612 1.00 0.13 H new ATOM 0 HD13 LEU A 394 2.301 0.281 -5.826 1.00 0.13 H new ATOM 0 HD21 LEU A 394 0.811 0.372 -3.153 1.00 0.13 H new ATOM 0 HD22 LEU A 394 1.391 1.809 -4.028 1.00 0.13 H new ATOM 0 HD23 LEU A 394 -0.323 1.679 -3.569 1.00 0.13 H new ATOM 1096 N ARG A 395 -1.883 2.943 -8.269 1.00 0.12 N ATOM 1097 CA ARG A 395 -2.061 3.898 -9.352 1.00 0.14 C ATOM 1098 C ARG A 395 -3.185 4.874 -9.038 1.00 0.14 C ATOM 1099 O ARG A 395 -3.145 6.035 -9.444 1.00 0.19 O ATOM 1100 CB ARG A 395 -2.362 3.149 -10.646 1.00 0.18 C ATOM 1101 CG ARG A 395 -1.295 2.134 -10.999 1.00 0.33 C ATOM 1102 CD ARG A 395 -0.083 2.785 -11.640 1.00 0.52 C ATOM 1103 NE ARG A 395 -0.387 3.347 -12.953 1.00 1.30 N ATOM 1104 CZ ARG A 395 0.301 3.056 -14.058 1.00 1.72 C ATOM 1105 NH1 ARG A 395 1.300 2.181 -14.012 1.00 1.66 N ATOM 1106 NH2 ARG A 395 -0.018 3.630 -15.210 1.00 2.64 N ATOM 0 H ARG A 395 -1.978 1.969 -8.556 1.00 0.12 H new ATOM 0 HA ARG A 395 -1.141 4.470 -9.468 1.00 0.14 H new ATOM 0 HB2 ARG A 395 -3.322 2.642 -10.552 1.00 0.18 H new ATOM 0 HB3 ARG A 395 -2.459 3.866 -11.461 1.00 0.18 H new ATOM 0 HG2 ARG A 395 -0.988 1.603 -10.098 1.00 0.33 H new ATOM 0 HG3 ARG A 395 -1.711 1.392 -11.680 1.00 0.33 H new ATOM 0 HD2 ARG A 395 0.291 3.574 -10.987 1.00 0.52 H new ATOM 0 HD3 ARG A 395 0.714 2.048 -11.738 1.00 0.52 H new ATOM 0 HE ARG A 395 -1.169 3.998 -13.029 1.00 1.30 H new ATOM 0 HH11 ARG A 395 1.543 1.730 -13.130 1.00 1.66 H new ATOM 0 HH12 ARG A 395 1.824 1.961 -14.859 1.00 1.66 H new ATOM 0 HH21 ARG A 395 -0.790 4.295 -15.252 1.00 2.64 H new ATOM 0 HH22 ARG A 395 0.509 3.407 -16.054 1.00 2.64 H new ATOM 1120 N HIS A 396 -4.192 4.400 -8.317 1.00 0.12 N ATOM 1121 CA HIS A 396 -5.299 5.252 -7.912 1.00 0.13 C ATOM 1122 C HIS A 396 -4.873 6.139 -6.746 1.00 0.11 C ATOM 1123 O HIS A 396 -5.242 7.311 -6.678 1.00 0.13 O ATOM 1124 CB HIS A 396 -6.521 4.412 -7.536 1.00 0.14 C ATOM 1125 CG HIS A 396 -7.818 5.120 -7.782 1.00 0.18 C ATOM 1126 ND1 HIS A 396 -7.976 5.968 -8.850 1.00 0.31 N ATOM 1127 CD2 HIS A 396 -8.976 5.062 -7.088 1.00 0.20 C ATOM 1128 CE1 HIS A 396 -9.221 6.405 -8.780 1.00 0.34 C ATOM 1129 NE2 HIS A 396 -9.870 5.883 -7.729 1.00 0.26 N ATOM 0 H HIS A 396 -4.264 3.433 -8.002 1.00 0.12 H new ATOM 0 HA HIS A 396 -5.577 5.888 -8.753 1.00 0.13 H new ATOM 0 HB2 HIS A 396 -6.506 3.484 -8.107 1.00 0.14 H new ATOM 0 HB3 HIS A 396 -6.457 4.139 -6.483 1.00 0.14 H new ATOM 0 HD2 HIS A 396 -9.163 4.480 -6.198 1.00 0.20 H new ATOM 0 HE1 HIS A 396 -9.661 7.097 -9.482 1.00 0.34 H new ATOM 0 HE2 HIS A 396 -10.837 6.061 -7.459 1.00 0.26 H new ATOM 1137 N TYR A 397 -4.056 5.579 -5.857 1.00 0.10 N ATOM 1138 CA TYR A 397 -3.583 6.293 -4.672 1.00 0.10 C ATOM 1139 C TYR A 397 -2.761 7.518 -5.042 1.00 0.09 C ATOM 1140 O TYR A 397 -2.752 8.507 -4.312 1.00 0.11 O ATOM 1141 CB TYR A 397 -2.745 5.369 -3.781 1.00 0.12 C ATOM 1142 CG TYR A 397 -3.546 4.262 -3.163 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -4.925 4.345 -3.108 1.00 0.17 C ATOM 1144 CD2 TYR A 397 -2.929 3.134 -2.650 1.00 0.19 C ATOM 1145 CE1 TYR A 397 -5.678 3.338 -2.561 1.00 0.21 C ATOM 1146 CE2 TYR A 397 -3.677 2.113 -2.096 1.00 0.24 C ATOM 1147 CZ TYR A 397 -5.055 2.221 -2.053 1.00 0.24 C ATOM 1148 OH TYR A 397 -5.809 1.214 -1.496 1.00 0.30 O ATOM 0 H TYR A 397 -3.705 4.625 -5.936 1.00 0.10 H new ATOM 0 HA TYR A 397 -4.466 6.623 -4.125 1.00 0.10 H new ATOM 0 HB2 TYR A 397 -1.937 4.938 -4.373 1.00 0.12 H new ATOM 0 HB3 TYR A 397 -2.281 5.959 -2.990 1.00 0.12 H new ATOM 0 HD1 TYR A 397 -5.419 5.220 -3.504 1.00 0.17 H new ATOM 0 HD2 TYR A 397 -1.853 3.051 -2.683 1.00 0.19 H new ATOM 0 HE1 TYR A 397 -6.754 3.421 -2.529 1.00 0.21 H new ATOM 0 HE2 TYR A 397 -3.188 1.236 -1.699 1.00 0.24 H new ATOM 0 HH TYR A 397 -6.311 0.753 -2.200 1.00 0.30 H new ATOM 1158 N TYR A 398 -2.072 7.446 -6.173 1.00 0.10 N ATOM 1159 CA TYR A 398 -1.196 8.531 -6.594 1.00 0.12 C ATOM 1160 C TYR A 398 -1.986 9.820 -6.791 1.00 0.14 C ATOM 1161 O TYR A 398 -1.635 10.865 -6.243 1.00 0.17 O ATOM 1162 CB TYR A 398 -0.467 8.178 -7.897 1.00 0.14 C ATOM 1163 CG TYR A 398 0.306 6.868 -7.881 1.00 0.12 C ATOM 1164 CD1 TYR A 398 0.813 6.323 -6.700 1.00 0.11 C ATOM 1165 CD2 TYR A 398 0.534 6.175 -9.065 1.00 0.15 C ATOM 1166 CE1 TYR A 398 1.514 5.131 -6.706 1.00 0.12 C ATOM 1167 CE2 TYR A 398 1.234 4.989 -9.076 1.00 0.16 C ATOM 1168 CZ TYR A 398 1.720 4.470 -7.900 1.00 0.14 C ATOM 1169 OH TYR A 398 2.414 3.286 -7.919 1.00 0.18 O ATOM 0 H TYR A 398 -2.102 6.652 -6.813 1.00 0.10 H new ATOM 0 HA TYR A 398 -0.459 8.679 -5.805 1.00 0.12 H new ATOM 0 HB2 TYR A 398 -1.200 8.138 -8.703 1.00 0.14 H new ATOM 0 HB3 TYR A 398 0.225 8.985 -8.136 1.00 0.14 H new ATOM 0 HD1 TYR A 398 0.655 6.841 -5.766 1.00 0.11 H new ATOM 0 HD2 TYR A 398 0.155 6.575 -9.994 1.00 0.15 H new ATOM 0 HE1 TYR A 398 1.897 4.720 -5.784 1.00 0.12 H new ATOM 0 HE2 TYR A 398 1.401 4.468 -10.007 1.00 0.16 H new ATOM 0 HH TYR A 398 2.992 3.233 -7.129 1.00 0.18 H new ATOM 1179 N LYS A 399 -3.061 9.735 -7.568 1.00 0.15 N ATOM 1180 CA LYS A 399 -3.897 10.898 -7.850 1.00 0.19 C ATOM 1181 C LYS A 399 -4.563 11.413 -6.589 1.00 0.19 C ATOM 1182 O LYS A 399 -4.770 12.613 -6.422 1.00 0.23 O ATOM 1183 CB LYS A 399 -4.980 10.563 -8.866 1.00 0.20 C ATOM 1184 CG LYS A 399 -4.466 10.340 -10.280 1.00 0.23 C ATOM 1185 CD LYS A 399 -4.276 8.863 -10.578 1.00 0.27 C ATOM 1186 CE LYS A 399 -5.595 8.109 -10.490 1.00 0.32 C ATOM 1187 NZ LYS A 399 -5.446 6.688 -10.896 1.00 0.71 N ATOM 0 H LYS A 399 -3.374 8.873 -8.014 1.00 0.15 H new ATOM 0 HA LYS A 399 -3.240 11.667 -8.256 1.00 0.19 H new ATOM 0 HB2 LYS A 399 -5.505 9.666 -8.537 1.00 0.20 H new ATOM 0 HB3 LYS A 399 -5.710 11.372 -8.881 1.00 0.20 H new ATOM 0 HG2 LYS A 399 -5.168 10.769 -10.995 1.00 0.23 H new ATOM 0 HG3 LYS A 399 -3.519 10.863 -10.410 1.00 0.23 H new ATOM 0 HD2 LYS A 399 -3.851 8.742 -11.574 1.00 0.27 H new ATOM 0 HD3 LYS A 399 -3.562 8.436 -9.873 1.00 0.27 H new ATOM 0 HE2 LYS A 399 -5.974 8.158 -9.469 1.00 0.32 H new ATOM 0 HE3 LYS A 399 -6.334 8.594 -11.128 1.00 0.32 H new ATOM 0 HZ1 LYS A 399 -6.273 6.146 -10.573 1.00 0.71 H new ATOM 0 HZ2 LYS A 399 -5.376 6.628 -11.932 1.00 0.71 H new ATOM 0 HZ3 LYS A 399 -4.585 6.293 -10.467 1.00 0.71 H new ATOM 1201 N LEU A 400 -4.895 10.495 -5.702 1.00 0.17 N ATOM 1202 CA LEU A 400 -5.613 10.831 -4.491 1.00 0.18 C ATOM 1203 C LEU A 400 -4.655 11.265 -3.391 1.00 0.18 C ATOM 1204 O LEU A 400 -5.001 11.263 -2.212 1.00 0.21 O ATOM 1205 CB LEU A 400 -6.456 9.635 -4.081 1.00 0.18 C ATOM 1206 CG LEU A 400 -7.311 9.091 -5.223 1.00 0.19 C ATOM 1207 CD1 LEU A 400 -8.014 7.817 -4.818 1.00 0.20 C ATOM 1208 CD2 LEU A 400 -8.309 10.138 -5.684 1.00 0.21 C ATOM 0 H LEU A 400 -4.676 9.504 -5.800 1.00 0.17 H new ATOM 0 HA LEU A 400 -6.273 11.680 -4.671 1.00 0.18 H new ATOM 0 HB2 LEU A 400 -5.801 8.844 -3.715 1.00 0.18 H new ATOM 0 HB3 LEU A 400 -7.104 9.921 -3.253 1.00 0.18 H new ATOM 0 HG LEU A 400 -6.652 8.854 -6.058 1.00 0.19 H new ATOM 0 HD11 LEU A 400 -8.615 7.453 -5.651 1.00 0.20 H new ATOM 0 HD12 LEU A 400 -7.274 7.063 -4.548 1.00 0.20 H new ATOM 0 HD13 LEU A 400 -8.660 8.014 -3.963 1.00 0.20 H new ATOM 0 HD21 LEU A 400 -8.910 9.734 -6.498 1.00 0.21 H new ATOM 0 HD22 LEU A 400 -8.960 10.411 -4.853 1.00 0.21 H new ATOM 0 HD23 LEU A 400 -7.774 11.022 -6.032 1.00 0.21 H new ATOM 1220 N ASN A 401 -3.447 11.640 -3.808 1.00 0.18 N ATOM 1221 CA ASN A 401 -2.442 12.223 -2.914 1.00 0.20 C ATOM 1222 C ASN A 401 -2.074 11.280 -1.777 1.00 0.17 C ATOM 1223 O ASN A 401 -1.732 11.714 -0.679 1.00 0.22 O ATOM 1224 CB ASN A 401 -2.945 13.546 -2.338 1.00 0.27 C ATOM 1225 CG ASN A 401 -2.213 14.743 -2.890 1.00 0.60 C ATOM 1226 OD1 ASN A 401 -1.150 15.122 -2.400 1.00 1.08 O ATOM 1227 ND2 ASN A 401 -2.793 15.369 -3.896 1.00 1.21 N ATOM 0 H ASN A 401 -3.135 11.549 -4.775 1.00 0.18 H new ATOM 0 HA ASN A 401 -1.546 12.398 -3.510 1.00 0.20 H new ATOM 0 HB2 ASN A 401 -4.009 13.648 -2.551 1.00 0.27 H new ATOM 0 HB3 ASN A 401 -2.837 13.529 -1.254 1.00 0.27 H new ATOM 0 HD21 ASN A 401 -2.360 16.201 -4.297 1.00 1.21 H new ATOM 0 HD22 ASN A 401 -3.675 15.021 -4.273 1.00 1.21 H new ATOM 1234 N ILE A 402 -2.143 9.993 -2.047 1.00 0.11 N ATOM 1235 CA ILE A 402 -1.891 8.987 -1.040 1.00 0.10 C ATOM 1236 C ILE A 402 -0.466 8.480 -1.120 1.00 0.09 C ATOM 1237 O ILE A 402 0.335 8.682 -0.211 1.00 0.13 O ATOM 1238 CB ILE A 402 -2.875 7.832 -1.243 1.00 0.10 C ATOM 1239 CG1 ILE A 402 -4.287 8.376 -1.132 1.00 0.14 C ATOM 1240 CG2 ILE A 402 -2.651 6.716 -0.241 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.331 7.417 -1.603 1.00 0.13 C ATOM 0 H ILE A 402 -2.374 9.617 -2.967 1.00 0.11 H new ATOM 0 HA ILE A 402 -2.030 9.427 -0.053 1.00 0.10 H new ATOM 0 HB ILE A 402 -2.715 7.402 -2.232 1.00 0.10 H new ATOM 0 HG12 ILE A 402 -4.487 8.638 -0.093 1.00 0.14 H new ATOM 0 HG13 ILE A 402 -4.361 9.296 -1.712 1.00 0.14 H new ATOM 0 HG21 ILE A 402 -3.370 5.917 -0.420 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -1.639 6.326 -0.351 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -2.783 7.103 0.770 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -6.316 7.870 -1.496 1.00 0.13 H new ATOM 0 HD12 ILE A 402 -5.156 7.174 -2.651 1.00 0.13 H new ATOM 0 HD13 ILE A 402 -5.284 6.506 -1.007 1.00 0.13 H new ATOM 1253 N ILE A 403 -0.157 7.822 -2.216 1.00 0.07 N ATOM 1254 CA ILE A 403 1.178 7.334 -2.460 1.00 0.07 C ATOM 1255 C ILE A 403 1.671 7.924 -3.766 1.00 0.08 C ATOM 1256 O ILE A 403 0.868 8.332 -4.596 1.00 0.10 O ATOM 1257 CB ILE A 403 1.220 5.789 -2.529 1.00 0.09 C ATOM 1258 CG1 ILE A 403 0.672 5.169 -1.248 1.00 0.09 C ATOM 1259 CG2 ILE A 403 2.637 5.298 -2.778 1.00 0.14 C ATOM 1260 CD1 ILE A 403 0.703 3.659 -1.272 1.00 0.11 C ATOM 0 H ILE A 403 -0.823 7.612 -2.959 1.00 0.07 H new ATOM 0 HA ILE A 403 1.821 7.638 -1.634 1.00 0.07 H new ATOM 0 HB ILE A 403 0.589 5.478 -3.362 1.00 0.09 H new ATOM 0 HG12 ILE A 403 1.253 5.527 -0.398 1.00 0.09 H new ATOM 0 HG13 ILE A 403 -0.354 5.505 -1.096 1.00 0.09 H new ATOM 0 HG21 ILE A 403 2.642 4.209 -2.823 1.00 0.14 H new ATOM 0 HG22 ILE A 403 3.001 5.702 -3.723 1.00 0.14 H new ATOM 0 HG23 ILE A 403 3.285 5.631 -1.967 1.00 0.14 H new ATOM 0 HD11 ILE A 403 0.301 3.272 -0.335 1.00 0.11 H new ATOM 0 HD12 ILE A 403 0.099 3.296 -2.103 1.00 0.11 H new ATOM 0 HD13 ILE A 403 1.731 3.318 -1.394 1.00 0.11 H new ATOM 1272 N ARG A 404 2.971 8.021 -3.930 1.00 0.10 N ATOM 1273 CA ARG A 404 3.533 8.472 -5.186 1.00 0.13 C ATOM 1274 C ARG A 404 4.585 7.496 -5.668 1.00 0.14 C ATOM 1275 O ARG A 404 5.122 6.698 -4.895 1.00 0.16 O ATOM 1276 CB ARG A 404 4.143 9.869 -5.048 1.00 0.17 C ATOM 1277 CG ARG A 404 5.648 9.872 -4.874 1.00 0.25 C ATOM 1278 CD ARG A 404 6.203 11.285 -4.834 1.00 0.36 C ATOM 1279 NE ARG A 404 7.657 11.314 -5.008 1.00 1.14 N ATOM 1280 CZ ARG A 404 8.307 12.264 -5.682 1.00 1.56 C ATOM 1281 NH1 ARG A 404 7.647 13.299 -6.187 1.00 1.63 N ATOM 1282 NH2 ARG A 404 9.621 12.186 -5.841 1.00 2.39 N ATOM 0 H ARG A 404 3.659 7.795 -3.212 1.00 0.10 H new ATOM 0 HA ARG A 404 2.726 8.522 -5.917 1.00 0.13 H new ATOM 0 HB2 ARG A 404 3.889 10.454 -5.932 1.00 0.17 H new ATOM 0 HB3 ARG A 404 3.688 10.370 -4.193 1.00 0.17 H new ATOM 0 HG2 ARG A 404 5.909 9.352 -3.953 1.00 0.25 H new ATOM 0 HG3 ARG A 404 6.111 9.322 -5.693 1.00 0.25 H new ATOM 0 HD2 ARG A 404 5.733 11.880 -5.617 1.00 0.36 H new ATOM 0 HD3 ARG A 404 5.943 11.749 -3.882 1.00 0.36 H new ATOM 0 HE ARG A 404 8.205 10.563 -4.589 1.00 1.14 H new ATOM 0 HH11 ARG A 404 6.637 13.371 -6.061 1.00 1.63 H new ATOM 0 HH12 ARG A 404 8.149 14.022 -6.701 1.00 1.63 H new ATOM 0 HH21 ARG A 404 10.136 11.399 -5.448 1.00 2.39 H new ATOM 0 HH22 ARG A 404 10.116 12.913 -6.357 1.00 2.39 H new ATOM 1296 N LYS A 405 4.880 7.583 -6.944 1.00 0.17 N ATOM 1297 CA LYS A 405 5.872 6.742 -7.558 1.00 0.19 C ATOM 1298 C LYS A 405 7.134 7.549 -7.793 1.00 0.22 C ATOM 1299 O LYS A 405 7.084 8.668 -8.311 1.00 0.27 O ATOM 1300 CB LYS A 405 5.330 6.194 -8.868 1.00 0.22 C ATOM 1301 CG LYS A 405 6.152 5.044 -9.394 1.00 0.34 C ATOM 1302 CD LYS A 405 6.322 3.979 -8.335 1.00 0.29 C ATOM 1303 CE LYS A 405 7.193 2.848 -8.822 1.00 0.23 C ATOM 1304 NZ LYS A 405 7.732 2.050 -7.710 1.00 1.08 N ATOM 0 H LYS A 405 4.436 8.241 -7.584 1.00 0.17 H new ATOM 0 HA LYS A 405 6.109 5.903 -6.904 1.00 0.19 H new ATOM 0 HB2 LYS A 405 4.301 5.865 -8.723 1.00 0.22 H new ATOM 0 HB3 LYS A 405 5.308 6.991 -9.611 1.00 0.22 H new ATOM 0 HG2 LYS A 405 5.668 4.616 -10.272 1.00 0.34 H new ATOM 0 HG3 LYS A 405 7.130 5.406 -9.713 1.00 0.34 H new ATOM 0 HD2 LYS A 405 6.763 4.420 -7.441 1.00 0.29 H new ATOM 0 HD3 LYS A 405 5.345 3.590 -8.049 1.00 0.29 H new ATOM 0 HE2 LYS A 405 6.614 2.204 -9.484 1.00 0.23 H new ATOM 0 HE3 LYS A 405 8.016 3.252 -9.411 1.00 0.23 H new ATOM 0 HZ1 LYS A 405 8.297 1.263 -8.089 1.00 1.08 H new ATOM 0 HZ2 LYS A 405 8.333 2.651 -7.111 1.00 1.08 H new ATOM 0 HZ3 LYS A 405 6.947 1.671 -7.143 1.00 1.08 H new ATOM 1318 N GLU A 406 8.257 6.988 -7.394 1.00 0.23 N ATOM 1319 CA GLU A 406 9.521 7.684 -7.472 1.00 0.28 C ATOM 1320 C GLU A 406 10.057 7.732 -8.893 1.00 0.34 C ATOM 1321 O GLU A 406 9.598 7.016 -9.781 1.00 0.43 O ATOM 1322 CB GLU A 406 10.545 7.026 -6.551 1.00 0.29 C ATOM 1323 CG GLU A 406 10.329 5.548 -6.344 1.00 0.63 C ATOM 1324 CD GLU A 406 10.411 4.713 -7.610 1.00 1.77 C ATOM 1325 OE1 GLU A 406 11.024 5.179 -8.593 1.00 2.32 O ATOM 1326 OE2 GLU A 406 9.846 3.611 -7.642 1.00 2.42 O ATOM 0 H GLU A 406 8.318 6.045 -7.010 1.00 0.23 H new ATOM 0 HA GLU A 406 9.348 8.710 -7.148 1.00 0.28 H new ATOM 0 HB2 GLU A 406 11.542 7.182 -6.964 1.00 0.29 H new ATOM 0 HB3 GLU A 406 10.519 7.525 -5.582 1.00 0.29 H new ATOM 0 HG2 GLU A 406 11.071 5.182 -5.634 1.00 0.63 H new ATOM 0 HG3 GLU A 406 9.350 5.398 -5.888 1.00 0.63 H new ATOM 1333 N PRO A 407 10.974 8.660 -9.121 1.00 0.41 N ATOM 1334 CA PRO A 407 11.759 8.723 -10.333 1.00 0.51 C ATOM 1335 C PRO A 407 12.850 7.646 -10.383 1.00 0.52 C ATOM 1336 O PRO A 407 13.796 7.683 -9.593 1.00 0.54 O ATOM 1337 CB PRO A 407 12.372 10.123 -10.307 1.00 0.61 C ATOM 1338 CG PRO A 407 12.217 10.641 -8.918 1.00 0.58 C ATOM 1339 CD PRO A 407 11.341 9.689 -8.158 1.00 0.45 C ATOM 0 HA PRO A 407 11.148 8.540 -11.217 1.00 0.51 H new ATOM 0 HB2 PRO A 407 13.424 10.089 -10.591 1.00 0.61 H new ATOM 0 HB3 PRO A 407 11.871 10.777 -11.021 1.00 0.61 H new ATOM 0 HG2 PRO A 407 13.190 10.731 -8.435 1.00 0.58 H new ATOM 0 HG3 PRO A 407 11.775 11.637 -8.931 1.00 0.58 H new ATOM 0 HD2 PRO A 407 11.870 9.261 -7.306 1.00 0.45 H new ATOM 0 HD3 PRO A 407 10.459 10.194 -7.765 1.00 0.45 H new ATOM 1347 N GLY A 408 12.715 6.684 -11.286 1.00 0.54 N ATOM 1348 CA GLY A 408 13.849 5.834 -11.629 1.00 0.58 C ATOM 1349 C GLY A 408 13.940 4.507 -10.882 1.00 0.58 C ATOM 1350 O GLY A 408 14.642 3.603 -11.340 1.00 0.86 O ATOM 0 H GLY A 408 11.851 6.474 -11.786 1.00 0.54 H new ATOM 0 HA2 GLY A 408 13.810 5.625 -12.698 1.00 0.58 H new ATOM 0 HA3 GLY A 408 14.766 6.394 -11.447 1.00 0.58 H new ATOM 1354 N GLN A 409 13.268 4.357 -9.747 1.00 0.47 N ATOM 1355 CA GLN A 409 13.362 3.105 -9.000 1.00 0.51 C ATOM 1356 C GLN A 409 12.353 2.088 -9.526 1.00 0.48 C ATOM 1357 O GLN A 409 11.660 2.329 -10.517 1.00 0.61 O ATOM 1358 CB GLN A 409 13.155 3.296 -7.496 1.00 0.63 C ATOM 1359 CG GLN A 409 14.048 4.345 -6.860 1.00 0.45 C ATOM 1360 CD GLN A 409 14.445 3.972 -5.444 1.00 0.71 C ATOM 1361 OE1 GLN A 409 14.675 4.835 -4.600 1.00 1.64 O ATOM 1362 NE2 GLN A 409 14.528 2.675 -5.174 1.00 0.45 N ATOM 0 H GLN A 409 12.665 5.067 -9.330 1.00 0.47 H new ATOM 0 HA GLN A 409 14.376 2.734 -9.149 1.00 0.51 H new ATOM 0 HB2 GLN A 409 12.115 3.568 -7.318 1.00 0.63 H new ATOM 0 HB3 GLN A 409 13.325 2.343 -6.996 1.00 0.63 H new ATOM 0 HG2 GLN A 409 14.945 4.473 -7.466 1.00 0.45 H new ATOM 0 HG3 GLN A 409 13.530 5.304 -6.850 1.00 0.45 H new ATOM 0 HE21 GLN A 409 14.329 1.989 -5.902 1.00 0.45 H new ATOM 0 HE22 GLN A 409 14.790 2.365 -4.239 1.00 0.45 H new ATOM 1371 N ARG A 410 12.271 0.955 -8.854 1.00 0.41 N ATOM 1372 CA ARG A 410 11.417 -0.135 -9.291 1.00 0.39 C ATOM 1373 C ARG A 410 10.154 -0.227 -8.461 1.00 0.31 C ATOM 1374 O ARG A 410 9.079 0.166 -8.904 1.00 0.42 O ATOM 1375 CB ARG A 410 12.197 -1.454 -9.243 1.00 0.47 C ATOM 1376 CG ARG A 410 13.228 -1.512 -8.125 1.00 0.86 C ATOM 1377 CD ARG A 410 14.587 -1.024 -8.603 1.00 1.11 C ATOM 1378 NE ARG A 410 15.489 -0.713 -7.491 1.00 1.27 N ATOM 1379 CZ ARG A 410 16.806 -0.526 -7.628 1.00 2.04 C ATOM 1380 NH1 ARG A 410 17.395 -0.759 -8.795 1.00 2.65 N ATOM 1381 NH2 ARG A 410 17.538 -0.135 -6.588 1.00 2.43 N ATOM 0 H ARG A 410 12.790 0.764 -7.997 1.00 0.41 H new ATOM 0 HA ARG A 410 11.111 0.064 -10.318 1.00 0.39 H new ATOM 0 HB2 ARG A 410 11.494 -2.278 -9.121 1.00 0.47 H new ATOM 0 HB3 ARG A 410 12.700 -1.604 -10.198 1.00 0.47 H new ATOM 0 HG2 ARG A 410 12.894 -0.901 -7.287 1.00 0.86 H new ATOM 0 HG3 ARG A 410 13.314 -2.535 -7.759 1.00 0.86 H new ATOM 0 HD2 ARG A 410 15.043 -1.786 -9.235 1.00 1.11 H new ATOM 0 HD3 ARG A 410 14.455 -0.135 -9.220 1.00 1.11 H new ATOM 0 HE ARG A 410 15.088 -0.634 -6.556 1.00 1.27 H new ATOM 0 HH11 ARG A 410 16.843 -1.081 -9.590 1.00 2.65 H new ATOM 0 HH12 ARG A 410 18.400 -0.616 -8.897 1.00 2.65 H new ATOM 0 HH21 ARG A 410 17.095 0.023 -5.683 1.00 2.43 H new ATOM 0 HH22 ARG A 410 18.542 0.007 -6.696 1.00 2.43 H new ATOM 1395 N LEU A 411 10.276 -0.746 -7.265 1.00 0.21 N ATOM 1396 CA LEU A 411 9.136 -0.917 -6.397 1.00 0.14 C ATOM 1397 C LEU A 411 9.199 0.028 -5.222 1.00 0.11 C ATOM 1398 O LEU A 411 8.739 -0.279 -4.130 1.00 0.12 O ATOM 1399 CB LEU A 411 9.049 -2.365 -5.968 1.00 0.11 C ATOM 1400 CG LEU A 411 8.641 -3.294 -7.103 1.00 0.11 C ATOM 1401 CD1 LEU A 411 8.814 -4.740 -6.706 1.00 0.15 C ATOM 1402 CD2 LEU A 411 7.208 -3.002 -7.496 1.00 0.16 C ATOM 0 H LEU A 411 11.161 -1.060 -6.867 1.00 0.21 H new ATOM 0 HA LEU A 411 8.224 -0.667 -6.939 1.00 0.14 H new ATOM 0 HB2 LEU A 411 10.015 -2.681 -5.575 1.00 0.11 H new ATOM 0 HB3 LEU A 411 8.329 -2.455 -5.154 1.00 0.11 H new ATOM 0 HG LEU A 411 9.288 -3.116 -7.962 1.00 0.11 H new ATOM 0 HD11 LEU A 411 8.516 -5.383 -7.534 1.00 0.15 H new ATOM 0 HD12 LEU A 411 9.859 -4.927 -6.460 1.00 0.15 H new ATOM 0 HD13 LEU A 411 8.192 -4.956 -5.837 1.00 0.15 H new ATOM 0 HD21 LEU A 411 6.911 -3.665 -8.309 1.00 0.16 H new ATOM 0 HD22 LEU A 411 6.555 -3.165 -6.638 1.00 0.16 H new ATOM 0 HD23 LEU A 411 7.125 -1.966 -7.824 1.00 0.16 H new ATOM 1414 N LEU A 412 9.784 1.181 -5.455 1.00 0.13 N ATOM 1415 CA LEU A 412 9.861 2.202 -4.430 1.00 0.11 C ATOM 1416 C LEU A 412 8.596 3.046 -4.499 1.00 0.10 C ATOM 1417 O LEU A 412 8.181 3.463 -5.572 1.00 0.11 O ATOM 1418 CB LEU A 412 11.091 3.072 -4.674 1.00 0.13 C ATOM 1419 CG LEU A 412 11.638 3.891 -3.495 1.00 0.13 C ATOM 1420 CD1 LEU A 412 10.555 4.658 -2.749 1.00 0.13 C ATOM 1421 CD2 LEU A 412 12.400 2.984 -2.560 1.00 0.16 C ATOM 0 H LEU A 412 10.214 1.437 -6.344 1.00 0.13 H new ATOM 0 HA LEU A 412 9.946 1.748 -3.443 1.00 0.11 H new ATOM 0 HB2 LEU A 412 11.892 2.425 -5.032 1.00 0.13 H new ATOM 0 HB3 LEU A 412 10.855 3.765 -5.482 1.00 0.13 H new ATOM 0 HG LEU A 412 12.311 4.645 -3.904 1.00 0.13 H new ATOM 0 HD11 LEU A 412 11.005 5.216 -1.928 1.00 0.13 H new ATOM 0 HD12 LEU A 412 10.063 5.350 -3.432 1.00 0.13 H new ATOM 0 HD13 LEU A 412 9.821 3.957 -2.352 1.00 0.13 H new ATOM 0 HD21 LEU A 412 12.788 3.566 -1.724 1.00 0.16 H new ATOM 0 HD22 LEU A 412 11.734 2.207 -2.184 1.00 0.16 H new ATOM 0 HD23 LEU A 412 13.229 2.523 -3.096 1.00 0.16 H new ATOM 1433 N PHE A 413 7.970 3.284 -3.376 1.00 0.10 N ATOM 1434 CA PHE A 413 6.803 4.133 -3.350 1.00 0.11 C ATOM 1435 C PHE A 413 6.894 5.042 -2.147 1.00 0.12 C ATOM 1436 O PHE A 413 7.338 4.626 -1.078 1.00 0.19 O ATOM 1437 CB PHE A 413 5.518 3.309 -3.298 1.00 0.12 C ATOM 1438 CG PHE A 413 5.382 2.335 -4.429 1.00 0.10 C ATOM 1439 CD1 PHE A 413 4.778 2.701 -5.619 1.00 0.10 C ATOM 1440 CD2 PHE A 413 5.871 1.053 -4.301 1.00 0.11 C ATOM 1441 CE1 PHE A 413 4.669 1.798 -6.657 1.00 0.11 C ATOM 1442 CE2 PHE A 413 5.764 0.146 -5.334 1.00 0.11 C ATOM 1443 CZ PHE A 413 5.162 0.521 -6.515 1.00 0.11 C ATOM 0 H PHE A 413 8.245 2.905 -2.470 1.00 0.10 H new ATOM 0 HA PHE A 413 6.772 4.725 -4.265 1.00 0.11 H new ATOM 0 HB2 PHE A 413 5.484 2.764 -2.355 1.00 0.12 H new ATOM 0 HB3 PHE A 413 4.663 3.985 -3.307 1.00 0.12 H new ATOM 0 HD1 PHE A 413 4.389 3.702 -5.736 1.00 0.10 H new ATOM 0 HD2 PHE A 413 6.345 0.754 -3.378 1.00 0.11 H new ATOM 0 HE1 PHE A 413 4.196 2.094 -7.582 1.00 0.11 H new ATOM 0 HE2 PHE A 413 6.151 -0.856 -5.218 1.00 0.11 H new ATOM 0 HZ PHE A 413 5.077 -0.185 -7.327 1.00 0.11 H new ATOM 1453 N ARG A 414 6.506 6.279 -2.321 1.00 0.10 N ATOM 1454 CA ARG A 414 6.563 7.232 -1.241 1.00 0.12 C ATOM 1455 C ARG A 414 5.166 7.701 -0.901 1.00 0.11 C ATOM 1456 O ARG A 414 4.425 8.141 -1.774 1.00 0.15 O ATOM 1457 CB ARG A 414 7.481 8.403 -1.611 1.00 0.20 C ATOM 1458 CG ARG A 414 6.881 9.767 -1.347 1.00 0.35 C ATOM 1459 CD ARG A 414 7.938 10.779 -0.974 1.00 0.37 C ATOM 1460 NE ARG A 414 7.962 11.004 0.465 1.00 1.21 N ATOM 1461 CZ ARG A 414 8.238 12.171 1.041 1.00 1.46 C ATOM 1462 NH1 ARG A 414 8.555 13.227 0.302 1.00 1.06 N ATOM 1463 NH2 ARG A 414 8.195 12.276 2.361 1.00 2.58 N ATOM 0 H ARG A 414 6.147 6.651 -3.200 1.00 0.10 H new ATOM 0 HA ARG A 414 6.984 6.755 -0.356 1.00 0.12 H new ATOM 0 HB2 ARG A 414 8.411 8.313 -1.050 1.00 0.20 H new ATOM 0 HB3 ARG A 414 7.738 8.329 -2.668 1.00 0.20 H new ATOM 0 HG2 ARG A 414 6.348 10.108 -2.234 1.00 0.35 H new ATOM 0 HG3 ARG A 414 6.148 9.693 -0.543 1.00 0.35 H new ATOM 0 HD2 ARG A 414 8.915 10.429 -1.307 1.00 0.37 H new ATOM 0 HD3 ARG A 414 7.744 11.720 -1.489 1.00 0.37 H new ATOM 0 HE ARG A 414 7.753 10.212 1.073 1.00 1.21 H new ATOM 0 HH11 ARG A 414 8.588 13.147 -0.714 1.00 1.06 H new ATOM 0 HH12 ARG A 414 8.765 14.119 0.750 1.00 1.06 H new ATOM 0 HH21 ARG A 414 7.951 11.465 2.929 1.00 2.58 H new ATOM 0 HH22 ARG A 414 8.406 13.168 2.809 1.00 2.58 H new ATOM 1477 N PHE A 415 4.794 7.567 0.356 1.00 0.10 N ATOM 1478 CA PHE A 415 3.516 8.073 0.812 1.00 0.09 C ATOM 1479 C PHE A 415 3.505 9.590 0.719 1.00 0.11 C ATOM 1480 O PHE A 415 4.211 10.279 1.459 1.00 0.14 O ATOM 1481 CB PHE A 415 3.233 7.639 2.251 1.00 0.10 C ATOM 1482 CG PHE A 415 2.553 6.315 2.393 1.00 0.10 C ATOM 1483 CD1 PHE A 415 1.168 6.229 2.372 1.00 0.11 C ATOM 1484 CD2 PHE A 415 3.290 5.161 2.574 1.00 0.10 C ATOM 1485 CE1 PHE A 415 0.536 5.013 2.523 1.00 0.13 C ATOM 1486 CE2 PHE A 415 2.672 3.944 2.723 1.00 0.11 C ATOM 1487 CZ PHE A 415 1.290 3.865 2.697 1.00 0.12 C ATOM 0 H PHE A 415 5.356 7.114 1.077 1.00 0.10 H new ATOM 0 HA PHE A 415 2.735 7.660 0.173 1.00 0.09 H new ATOM 0 HB2 PHE A 415 4.176 7.606 2.796 1.00 0.10 H new ATOM 0 HB3 PHE A 415 2.616 8.400 2.729 1.00 0.10 H new ATOM 0 HD1 PHE A 415 0.579 7.124 2.236 1.00 0.11 H new ATOM 0 HD2 PHE A 415 4.368 5.217 2.599 1.00 0.10 H new ATOM 0 HE1 PHE A 415 -0.542 4.956 2.506 1.00 0.13 H new ATOM 0 HE2 PHE A 415 3.263 3.050 2.860 1.00 0.11 H new ATOM 0 HZ PHE A 415 0.801 2.909 2.812 1.00 0.12 H new ATOM 1497 N MET A 416 2.726 10.088 -0.229 1.00 0.11 N ATOM 1498 CA MET A 416 2.532 11.519 -0.417 1.00 0.15 C ATOM 1499 C MET A 416 2.024 12.156 0.863 1.00 0.17 C ATOM 1500 O MET A 416 2.345 13.303 1.181 1.00 0.23 O ATOM 1501 CB MET A 416 1.522 11.760 -1.535 1.00 0.15 C ATOM 1502 CG MET A 416 2.067 11.530 -2.924 1.00 0.24 C ATOM 1503 SD MET A 416 3.415 12.660 -3.333 1.00 1.41 S ATOM 1504 CE MET A 416 2.588 14.245 -3.200 1.00 1.47 C ATOM 0 H MET A 416 2.209 9.510 -0.892 1.00 0.11 H new ATOM 0 HA MET A 416 3.489 11.968 -0.683 1.00 0.15 H new ATOM 0 HB2 MET A 416 0.664 11.106 -1.381 1.00 0.15 H new ATOM 0 HB3 MET A 416 1.158 12.785 -1.465 1.00 0.15 H new ATOM 0 HG2 MET A 416 2.421 10.502 -3.007 1.00 0.24 H new ATOM 0 HG3 MET A 416 1.263 11.650 -3.651 1.00 0.24 H new ATOM 0 HE1 MET A 416 2.963 14.917 -3.972 1.00 1.47 H new ATOM 0 HE2 MET A 416 1.514 14.107 -3.329 1.00 1.47 H new ATOM 0 HE3 MET A 416 2.783 14.676 -2.218 1.00 1.47 H new ATOM 1514 N LYS A 417 1.225 11.395 1.586 1.00 0.16 N ATOM 1515 CA LYS A 417 0.654 11.837 2.836 1.00 0.21 C ATOM 1516 C LYS A 417 0.624 10.689 3.814 1.00 0.21 C ATOM 1517 O LYS A 417 0.868 9.539 3.450 1.00 0.22 O ATOM 1518 CB LYS A 417 -0.771 12.337 2.633 1.00 0.29 C ATOM 1519 CG LYS A 417 -0.879 13.609 1.827 1.00 0.57 C ATOM 1520 CD LYS A 417 -2.291 14.149 1.871 1.00 0.54 C ATOM 1521 CE LYS A 417 -2.413 15.459 1.111 1.00 0.84 C ATOM 1522 NZ LYS A 417 -1.480 16.493 1.636 1.00 1.36 N ATOM 0 H LYS A 417 0.955 10.449 1.318 1.00 0.16 H new ATOM 0 HA LYS A 417 1.269 12.650 3.222 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -1.349 11.557 2.137 1.00 0.29 H new ATOM 0 HB3 LYS A 417 -1.228 12.500 3.609 1.00 0.29 H new ATOM 0 HG2 LYS A 417 -0.187 14.354 2.219 1.00 0.57 H new ATOM 0 HG3 LYS A 417 -0.589 13.417 0.794 1.00 0.57 H new ATOM 0 HD2 LYS A 417 -2.975 13.415 1.445 1.00 0.54 H new ATOM 0 HD3 LYS A 417 -2.591 14.300 2.908 1.00 0.54 H new ATOM 0 HE2 LYS A 417 -2.207 15.287 0.055 1.00 0.84 H new ATOM 0 HE3 LYS A 417 -3.437 15.825 1.180 1.00 0.84 H new ATOM 0 HZ1 LYS A 417 -1.959 17.416 1.652 1.00 1.36 H new ATOM 0 HZ2 LYS A 417 -1.186 16.238 2.601 1.00 1.36 H new ATOM 0 HZ3 LYS A 417 -0.642 16.548 1.022 1.00 1.36 H new ATOM 1536 N THR A 418 0.327 11.011 5.048 1.00 0.24 N ATOM 1537 CA THR A 418 0.115 10.015 6.060 1.00 0.24 C ATOM 1538 C THR A 418 -1.374 9.789 6.254 1.00 0.26 C ATOM 1539 O THR A 418 -2.173 10.667 5.924 1.00 0.28 O ATOM 1540 CB THR A 418 0.778 10.451 7.364 1.00 0.26 C ATOM 1541 OG1 THR A 418 0.485 11.832 7.620 1.00 0.35 O ATOM 1542 CG2 THR A 418 2.272 10.250 7.249 1.00 0.22 C ATOM 0 H THR A 418 0.226 11.972 5.376 1.00 0.24 H new ATOM 0 HA THR A 418 0.567 9.074 5.746 1.00 0.24 H new ATOM 0 HB THR A 418 0.394 9.853 8.190 1.00 0.26 H new ATOM 0 HG1 THR A 418 0.911 12.107 8.459 1.00 0.35 H new ATOM 0 HG21 THR A 418 2.753 10.559 8.177 1.00 0.22 H new ATOM 0 HG22 THR A 418 2.484 9.197 7.064 1.00 0.22 H new ATOM 0 HG23 THR A 418 2.657 10.849 6.424 1.00 0.22 H new ATOM 1550 N PRO A 419 -1.769 8.614 6.765 1.00 0.25 N ATOM 1551 CA PRO A 419 -3.178 8.201 6.851 1.00 0.28 C ATOM 1552 C PRO A 419 -4.114 9.295 7.362 1.00 0.31 C ATOM 1553 O PRO A 419 -5.230 9.440 6.863 1.00 0.33 O ATOM 1554 CB PRO A 419 -3.114 7.024 7.819 1.00 0.29 C ATOM 1555 CG PRO A 419 -1.791 6.415 7.527 1.00 0.27 C ATOM 1556 CD PRO A 419 -0.870 7.578 7.309 1.00 0.25 C ATOM 0 HA PRO A 419 -3.594 7.959 5.873 1.00 0.28 H new ATOM 0 HB2 PRO A 419 -3.186 7.351 8.856 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -3.928 6.319 7.650 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -1.452 5.792 8.355 1.00 0.27 H new ATOM 0 HG3 PRO A 419 -1.836 5.776 6.645 1.00 0.27 H new ATOM 0 HD2 PRO A 419 -0.399 7.899 8.238 1.00 0.25 H new ATOM 0 HD3 PRO A 419 -0.068 7.333 6.613 1.00 0.25 H new ATOM 1564 N ASP A 420 -3.646 10.085 8.320 1.00 0.35 N ATOM 1565 CA ASP A 420 -4.453 11.169 8.880 1.00 0.42 C ATOM 1566 C ASP A 420 -4.818 12.193 7.805 1.00 0.43 C ATOM 1567 O ASP A 420 -5.977 12.592 7.680 1.00 0.48 O ATOM 1568 CB ASP A 420 -3.712 11.859 10.025 1.00 0.49 C ATOM 1569 CG ASP A 420 -4.533 12.962 10.661 1.00 0.62 C ATOM 1570 OD1 ASP A 420 -5.432 12.646 11.469 1.00 0.74 O ATOM 1571 OD2 ASP A 420 -4.277 14.150 10.364 1.00 0.72 O ATOM 0 H ASP A 420 -2.715 9.998 8.727 1.00 0.35 H new ATOM 0 HA ASP A 420 -5.372 10.731 9.268 1.00 0.42 H new ATOM 0 HB2 ASP A 420 -3.451 11.120 10.783 1.00 0.49 H new ATOM 0 HB3 ASP A 420 -2.777 12.275 9.651 1.00 0.49 H new ATOM 1576 N GLU A 421 -3.830 12.601 7.017 1.00 0.42 N ATOM 1577 CA GLU A 421 -4.057 13.543 5.931 1.00 0.45 C ATOM 1578 C GLU A 421 -4.790 12.880 4.777 1.00 0.42 C ATOM 1579 O GLU A 421 -5.558 13.520 4.066 1.00 0.49 O ATOM 1580 CB GLU A 421 -2.739 14.110 5.415 1.00 0.49 C ATOM 1581 CG GLU A 421 -2.277 15.358 6.135 1.00 0.81 C ATOM 1582 CD GLU A 421 -1.149 16.042 5.399 1.00 1.60 C ATOM 1583 OE1 GLU A 421 -1.390 16.569 4.292 1.00 2.21 O ATOM 1584 OE2 GLU A 421 -0.014 16.046 5.912 1.00 2.17 O ATOM 0 H GLU A 421 -2.862 12.293 7.111 1.00 0.42 H new ATOM 0 HA GLU A 421 -4.668 14.352 6.331 1.00 0.45 H new ATOM 0 HB2 GLU A 421 -1.967 13.345 5.505 1.00 0.49 H new ATOM 0 HB3 GLU A 421 -2.843 14.334 4.353 1.00 0.49 H new ATOM 0 HG2 GLU A 421 -3.114 16.048 6.241 1.00 0.81 H new ATOM 0 HG3 GLU A 421 -1.950 15.097 7.142 1.00 0.81 H new ATOM 1591 N ILE A 422 -4.543 11.596 4.591 1.00 0.34 N ATOM 1592 CA ILE A 422 -5.141 10.857 3.493 1.00 0.33 C ATOM 1593 C ILE A 422 -6.636 10.628 3.722 1.00 0.36 C ATOM 1594 O ILE A 422 -7.435 10.636 2.781 1.00 0.39 O ATOM 1595 CB ILE A 422 -4.435 9.505 3.305 1.00 0.29 C ATOM 1596 CG1 ILE A 422 -2.943 9.718 3.052 1.00 0.27 C ATOM 1597 CG2 ILE A 422 -5.064 8.739 2.163 1.00 0.32 C ATOM 1598 CD1 ILE A 422 -2.188 8.437 2.769 1.00 0.27 C ATOM 0 H ILE A 422 -3.930 11.041 5.188 1.00 0.34 H new ATOM 0 HA ILE A 422 -5.019 11.457 2.591 1.00 0.33 H new ATOM 0 HB ILE A 422 -4.550 8.919 4.217 1.00 0.29 H new ATOM 0 HG12 ILE A 422 -2.819 10.397 2.208 1.00 0.27 H new ATOM 0 HG13 ILE A 422 -2.502 10.206 3.921 1.00 0.27 H new ATOM 0 HG21 ILE A 422 -4.554 7.783 2.041 1.00 0.32 H new ATOM 0 HG22 ILE A 422 -6.118 8.563 2.380 1.00 0.32 H new ATOM 0 HG23 ILE A 422 -4.974 9.318 1.244 1.00 0.32 H new ATOM 0 HD11 ILE A 422 -1.136 8.665 2.599 1.00 0.27 H new ATOM 0 HD12 ILE A 422 -2.281 7.764 3.622 1.00 0.27 H new ATOM 0 HD13 ILE A 422 -2.603 7.958 1.882 1.00 0.27 H new ATOM 1610 N MET A 423 -7.015 10.448 4.978 1.00 0.42 N ATOM 1611 CA MET A 423 -8.398 10.189 5.332 1.00 0.51 C ATOM 1612 C MET A 423 -9.223 11.464 5.356 1.00 0.58 C ATOM 1613 O MET A 423 -10.367 11.471 5.802 1.00 0.71 O ATOM 1614 CB MET A 423 -8.489 9.460 6.665 1.00 0.58 C ATOM 1615 CG MET A 423 -7.994 8.039 6.566 1.00 0.58 C ATOM 1616 SD MET A 423 -8.674 6.964 7.845 1.00 0.90 S ATOM 1617 CE MET A 423 -7.928 5.401 7.386 1.00 2.01 C ATOM 0 H MET A 423 -6.377 10.477 5.773 1.00 0.42 H new ATOM 0 HA MET A 423 -8.816 9.545 4.558 1.00 0.51 H new ATOM 0 HB2 MET A 423 -7.904 9.996 7.412 1.00 0.58 H new ATOM 0 HB3 MET A 423 -9.523 9.461 7.009 1.00 0.58 H new ATOM 0 HG2 MET A 423 -8.253 7.637 5.586 1.00 0.58 H new ATOM 0 HG3 MET A 423 -6.906 8.034 6.635 1.00 0.58 H new ATOM 0 HE1 MET A 423 -8.249 4.626 8.082 1.00 2.01 H new ATOM 0 HE2 MET A 423 -8.238 5.133 6.376 1.00 2.01 H new ATOM 0 HE3 MET A 423 -6.842 5.492 7.420 1.00 2.01 H new ATOM 1627 N SER A 424 -8.628 12.534 4.866 1.00 0.59 N ATOM 1628 CA SER A 424 -9.307 13.823 4.764 1.00 0.72 C ATOM 1629 C SER A 424 -10.516 13.722 3.836 1.00 0.67 C ATOM 1630 O SER A 424 -11.445 14.526 3.911 1.00 1.09 O ATOM 1631 CB SER A 424 -8.341 14.886 4.236 1.00 0.92 C ATOM 1632 OG SER A 424 -7.759 14.476 3.008 1.00 1.57 O ATOM 0 H SER A 424 -7.666 12.541 4.528 1.00 0.59 H new ATOM 0 HA SER A 424 -9.650 14.109 5.758 1.00 0.72 H new ATOM 0 HB2 SER A 424 -8.872 15.828 4.095 1.00 0.92 H new ATOM 0 HB3 SER A 424 -7.557 15.069 4.971 1.00 0.92 H new ATOM 0 HG SER A 424 -6.883 14.071 3.180 1.00 1.57 H new ATOM 1638 N GLY A 425 -10.490 12.717 2.971 1.00 0.43 N ATOM 1639 CA GLY A 425 -11.551 12.528 2.007 1.00 0.42 C ATOM 1640 C GLY A 425 -11.037 11.863 0.751 1.00 0.37 C ATOM 1641 O GLY A 425 -11.815 11.361 -0.061 1.00 0.50 O ATOM 0 H GLY A 425 -9.744 12.024 2.922 1.00 0.43 H new ATOM 0 HA2 GLY A 425 -12.341 11.919 2.447 1.00 0.42 H new ATOM 0 HA3 GLY A 425 -11.994 13.492 1.756 1.00 0.42 H new ATOM 1645 N ARG A 426 -9.715 11.855 0.598 1.00 0.38 N ATOM 1646 CA ARG A 426 -9.069 11.256 -0.563 1.00 0.36 C ATOM 1647 C ARG A 426 -9.404 9.770 -0.666 1.00 0.33 C ATOM 1648 O ARG A 426 -9.890 9.297 -1.691 1.00 0.34 O ATOM 1649 CB ARG A 426 -7.552 11.448 -0.471 1.00 0.39 C ATOM 1650 CG ARG A 426 -7.112 12.887 -0.294 1.00 0.56 C ATOM 1651 CD ARG A 426 -7.307 13.680 -1.566 1.00 0.92 C ATOM 1652 NE ARG A 426 -8.707 14.055 -1.765 1.00 1.37 N ATOM 1653 CZ ARG A 426 -9.312 14.120 -2.950 1.00 2.06 C ATOM 1654 NH1 ARG A 426 -8.621 13.933 -4.070 1.00 2.63 N ATOM 1655 NH2 ARG A 426 -10.606 14.413 -3.012 1.00 2.67 N ATOM 0 H ARG A 426 -9.066 12.261 1.272 1.00 0.38 H new ATOM 0 HA ARG A 426 -9.441 11.752 -1.459 1.00 0.36 H new ATOM 0 HB2 ARG A 426 -7.174 10.860 0.365 1.00 0.39 H new ATOM 0 HB3 ARG A 426 -7.092 11.049 -1.375 1.00 0.39 H new ATOM 0 HG2 ARG A 426 -7.680 13.347 0.515 1.00 0.56 H new ATOM 0 HG3 ARG A 426 -6.062 12.916 -0.002 1.00 0.56 H new ATOM 0 HD2 ARG A 426 -6.692 14.579 -1.531 1.00 0.92 H new ATOM 0 HD3 ARG A 426 -6.964 13.092 -2.417 1.00 0.92 H new ATOM 0 HE ARG A 426 -9.259 14.283 -0.938 1.00 1.37 H new ATOM 0 HH11 ARG A 426 -7.621 13.738 -4.026 1.00 2.63 H new ATOM 0 HH12 ARG A 426 -9.091 13.984 -4.974 1.00 2.63 H new ATOM 0 HH21 ARG A 426 -11.131 14.587 -2.155 1.00 2.67 H new ATOM 0 HH22 ARG A 426 -11.075 14.464 -3.917 1.00 2.67 H new ATOM 1669 N THR A 427 -9.158 9.041 0.410 1.00 0.33 N ATOM 1670 CA THR A 427 -9.417 7.609 0.432 1.00 0.37 C ATOM 1671 C THR A 427 -10.695 7.286 1.205 1.00 0.43 C ATOM 1672 O THR A 427 -10.931 6.142 1.596 1.00 0.58 O ATOM 1673 CB THR A 427 -8.212 6.845 1.022 1.00 0.63 C ATOM 1674 OG1 THR A 427 -8.446 5.444 1.003 1.00 1.24 O ATOM 1675 CG2 THR A 427 -7.924 7.275 2.437 1.00 0.41 C ATOM 0 H THR A 427 -8.779 9.416 1.280 1.00 0.33 H new ATOM 0 HA THR A 427 -9.561 7.281 -0.598 1.00 0.37 H new ATOM 0 HB THR A 427 -7.349 7.081 0.400 1.00 0.63 H new ATOM 0 HG1 THR A 427 -9.362 5.261 1.300 1.00 1.24 H new ATOM 0 HG21 THR A 427 -7.070 6.717 2.820 1.00 0.41 H new ATOM 0 HG22 THR A 427 -7.698 8.341 2.454 1.00 0.41 H new ATOM 0 HG23 THR A 427 -8.796 7.079 3.061 1.00 0.41 H new ATOM 1683 N ASP A 428 -11.527 8.302 1.398 1.00 0.45 N ATOM 1684 CA ASP A 428 -12.843 8.117 2.009 1.00 0.62 C ATOM 1685 C ASP A 428 -13.693 7.223 1.120 1.00 0.61 C ATOM 1686 O ASP A 428 -14.403 6.333 1.586 1.00 0.78 O ATOM 1687 CB ASP A 428 -13.523 9.480 2.200 1.00 0.74 C ATOM 1688 CG ASP A 428 -15.022 9.379 2.428 1.00 1.27 C ATOM 1689 OD1 ASP A 428 -15.777 9.275 1.441 1.00 1.75 O ATOM 1690 OD2 ASP A 428 -15.447 9.381 3.604 1.00 1.63 O ATOM 0 H ASP A 428 -11.316 9.266 1.140 1.00 0.45 H new ATOM 0 HA ASP A 428 -12.729 7.643 2.984 1.00 0.62 H new ATOM 0 HB2 ASP A 428 -13.067 9.989 3.049 1.00 0.74 H new ATOM 0 HB3 ASP A 428 -13.337 10.097 1.321 1.00 0.74 H new ATOM 1695 N ARG A 429 -13.586 7.466 -0.174 1.00 0.54 N ATOM 1696 CA ARG A 429 -14.339 6.721 -1.170 1.00 0.65 C ATOM 1697 C ARG A 429 -13.676 5.387 -1.434 1.00 0.55 C ATOM 1698 O ARG A 429 -14.335 4.361 -1.555 1.00 0.66 O ATOM 1699 CB ARG A 429 -14.399 7.529 -2.458 1.00 0.81 C ATOM 1700 CG ARG A 429 -14.566 9.009 -2.200 1.00 0.98 C ATOM 1701 CD ARG A 429 -14.475 9.832 -3.473 1.00 1.12 C ATOM 1702 NE ARG A 429 -15.500 9.474 -4.447 1.00 1.64 N ATOM 1703 CZ ARG A 429 -16.516 10.269 -4.772 1.00 2.03 C ATOM 1704 NH1 ARG A 429 -16.666 11.443 -4.164 1.00 2.00 N ATOM 1705 NH2 ARG A 429 -17.384 9.893 -5.699 1.00 3.05 N ATOM 0 H ARG A 429 -12.976 8.184 -0.565 1.00 0.54 H new ATOM 0 HA ARG A 429 -15.349 6.543 -0.800 1.00 0.65 H new ATOM 0 HB2 ARG A 429 -13.487 7.363 -3.031 1.00 0.81 H new ATOM 0 HB3 ARG A 429 -15.228 7.173 -3.069 1.00 0.81 H new ATOM 0 HG2 ARG A 429 -15.531 9.186 -1.725 1.00 0.98 H new ATOM 0 HG3 ARG A 429 -13.800 9.342 -1.500 1.00 0.98 H new ATOM 0 HD2 ARG A 429 -14.568 10.889 -3.225 1.00 1.12 H new ATOM 0 HD3 ARG A 429 -13.490 9.695 -3.920 1.00 1.12 H new ATOM 0 HE ARG A 429 -15.434 8.564 -4.904 1.00 1.64 H new ATOM 0 HH11 ARG A 429 -16.001 11.735 -3.447 1.00 2.00 H new ATOM 0 HH12 ARG A 429 -17.446 12.051 -4.415 1.00 2.00 H new ATOM 0 HH21 ARG A 429 -17.274 8.992 -6.165 1.00 3.05 H new ATOM 0 HH22 ARG A 429 -18.162 10.504 -5.947 1.00 3.05 H new ATOM 1719 N LEU A 430 -12.357 5.426 -1.463 1.00 0.42 N ATOM 1720 CA LEU A 430 -11.522 4.286 -1.824 1.00 0.36 C ATOM 1721 C LEU A 430 -11.863 3.025 -1.051 1.00 0.39 C ATOM 1722 O LEU A 430 -11.793 1.916 -1.584 1.00 0.45 O ATOM 1723 CB LEU A 430 -10.086 4.639 -1.544 1.00 0.31 C ATOM 1724 CG LEU A 430 -9.352 5.320 -2.672 1.00 0.28 C ATOM 1725 CD1 LEU A 430 -8.044 5.814 -2.137 1.00 0.64 C ATOM 1726 CD2 LEU A 430 -9.123 4.358 -3.826 1.00 0.56 C ATOM 0 H LEU A 430 -11.822 6.264 -1.233 1.00 0.42 H new ATOM 0 HA LEU A 430 -11.698 4.078 -2.880 1.00 0.36 H new ATOM 0 HB2 LEU A 430 -10.054 5.288 -0.669 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -9.550 3.726 -1.284 1.00 0.31 H new ATOM 0 HG LEU A 430 -9.945 6.152 -3.053 1.00 0.28 H new ATOM 0 HD11 LEU A 430 -7.490 6.312 -2.933 1.00 0.64 H new ATOM 0 HD12 LEU A 430 -8.226 6.519 -1.325 1.00 0.64 H new ATOM 0 HD13 LEU A 430 -7.462 4.971 -1.763 1.00 0.64 H new ATOM 0 HD21 LEU A 430 -8.592 4.871 -4.628 1.00 0.56 H new ATOM 0 HD22 LEU A 430 -8.529 3.511 -3.482 1.00 0.56 H new ATOM 0 HD23 LEU A 430 -10.083 4.000 -4.198 1.00 0.56 H new