USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ -156:sc= 0.335 (180deg=0) USER MOD Set 1.2: A 53 SER OG : rot -160:sc= 0.667 USER MOD Set 1.3: A 68 SER OG : rot 79:sc= 0.37 USER MOD Set 2.1: A 50 ASN : amide:sc= -3.11! C(o=-1.9!,f=-3.6!) USER MOD Set 2.2: A 72 SER OG : rot -22:sc= 1.2 USER MOD Single : A 27 CYS SG : rot 43:sc= -0.0314 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.0982 (180deg=-0.392) USER MOD Single : A 41 GLN : amide:sc= -0.528! C(o=-0.53!,f=-4.4!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.044) USER MOD Single : A 57 SER OG : rot 180:sc= -0.122 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.101 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.0454 (180deg=-0.322) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.02 F(o=-3.6!,f=-1) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.000202 USER MOD Single : A 91 ASN :FLIP amide:sc= -1.52 F(o=-3.1!,f=-1.5) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 107 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.626 K(o=0.63,f=-0.59) USER MOD Single : A 115 HIS : no HD1:sc= -1! C(o=-1!,f=-6.6!) USER MOD Single : A 116 LYS NZ :NH3+ -118:sc= 0.927 (180deg=-0.0727) USER MOD Single : A 117 THR OG1 : rot 45:sc= 0.75 USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 25 3.869 -1.166 -1.935 1.00 24.31 N ATOM 20 CA GLU A 25 5.016 -2.041 -2.146 1.00 51.33 C ATOM 21 C GLU A 25 6.081 -1.321 -2.969 1.00 43.05 C ATOM 22 O GLU A 25 7.232 -1.201 -2.552 1.00 75.23 O ATOM 23 CB GLU A 25 4.586 -3.327 -2.858 1.00 53.02 C ATOM 24 CG GLU A 25 3.239 -3.875 -2.399 1.00 14.03 C ATOM 25 CD GLU A 25 3.178 -4.166 -0.913 1.00 41.34 C ATOM 26 OE1 GLU A 25 3.637 -5.248 -0.501 1.00 15.01 O ATOM 27 OE2 GLU A 25 2.636 -3.334 -0.159 1.00 41.05 O ATOM 0 HA GLU A 25 5.434 -2.304 -1.174 1.00 51.33 H new ATOM 0 HB2 GLU A 25 4.542 -3.138 -3.931 1.00 53.02 H new ATOM 0 HB3 GLU A 25 5.349 -4.089 -2.700 1.00 53.02 H new ATOM 0 HG2 GLU A 25 2.459 -3.158 -2.653 1.00 14.03 H new ATOM 0 HG3 GLU A 25 3.022 -4.790 -2.949 1.00 14.03 H new ATOM 34 N ARG A 26 5.679 -0.831 -4.132 1.00 61.24 N ATOM 35 CA ARG A 26 6.578 -0.096 -5.013 1.00 24.35 C ATOM 36 C ARG A 26 6.024 1.297 -5.281 1.00 72.14 C ATOM 37 O ARG A 26 4.824 1.459 -5.495 1.00 2.23 O ATOM 38 CB ARG A 26 6.758 -0.836 -6.346 1.00 13.43 C ATOM 39 CG ARG A 26 7.586 -0.061 -7.363 1.00 12.24 C ATOM 40 CD ARG A 26 9.078 -0.332 -7.221 1.00 4.51 C ATOM 41 NE ARG A 26 9.881 0.863 -7.484 1.00 11.44 N ATOM 42 CZ ARG A 26 10.535 1.102 -8.621 1.00 2.00 C ATOM 43 NH1 ARG A 26 10.472 0.239 -9.633 1.00 54.21 N ATOM 44 NH2 ARG A 26 11.255 2.210 -8.744 1.00 23.11 N ATOM 0 H ARG A 26 4.729 -0.930 -4.491 1.00 61.24 H new ATOM 0 HA ARG A 26 7.547 -0.016 -4.520 1.00 24.35 H new ATOM 0 HB2 ARG A 26 7.235 -1.798 -6.157 1.00 13.43 H new ATOM 0 HB3 ARG A 26 5.777 -1.045 -6.772 1.00 13.43 H new ATOM 0 HG2 ARG A 26 7.265 -0.329 -8.370 1.00 12.24 H new ATOM 0 HG3 ARG A 26 7.400 1.006 -7.242 1.00 12.24 H new ATOM 0 HD2 ARG A 26 9.286 -0.694 -6.214 1.00 4.51 H new ATOM 0 HD3 ARG A 26 9.370 -1.124 -7.911 1.00 4.51 H new ATOM 0 HE ARG A 26 9.945 1.563 -6.745 1.00 11.44 H new ATOM 0 HH11 ARG A 26 9.920 -0.614 -9.542 1.00 54.21 H new ATOM 0 HH12 ARG A 26 10.976 0.431 -10.499 1.00 54.21 H new ATOM 0 HH21 ARG A 26 11.306 2.874 -7.971 1.00 23.11 H new ATOM 0 HH22 ARG A 26 11.757 2.398 -9.612 1.00 23.11 H new ATOM 58 N CYS A 27 6.896 2.290 -5.255 1.00 2.13 N ATOM 59 CA CYS A 27 6.524 3.648 -5.614 1.00 24.23 C ATOM 60 C CYS A 27 7.707 4.352 -6.269 1.00 72.53 C ATOM 61 O CYS A 27 8.710 4.647 -5.617 1.00 13.23 O ATOM 62 CB CYS A 27 6.043 4.416 -4.379 1.00 62.23 C ATOM 63 SG CYS A 27 7.138 4.291 -2.946 1.00 31.21 S ATOM 0 H CYS A 27 7.874 2.180 -4.987 1.00 2.13 H new ATOM 0 HA CYS A 27 5.701 3.615 -6.328 1.00 24.23 H new ATOM 0 HB2 CYS A 27 5.928 5.467 -4.642 1.00 62.23 H new ATOM 0 HB3 CYS A 27 5.056 4.048 -4.099 1.00 62.23 H new ATOM 0 HG CYS A 27 8.373 4.417 -3.331 1.00 31.21 H new ATOM 69 N GLY A 28 7.608 4.588 -7.568 1.00 62.11 N ATOM 70 CA GLY A 28 8.700 5.216 -8.285 1.00 35.11 C ATOM 71 C GLY A 28 8.305 5.630 -9.683 1.00 61.32 C ATOM 72 O GLY A 28 7.216 5.303 -10.140 1.00 2.45 O ATOM 0 H GLY A 28 6.794 4.357 -8.138 1.00 62.11 H new ATOM 0 HA2 GLY A 28 9.039 6.092 -7.731 1.00 35.11 H new ATOM 0 HA3 GLY A 28 9.542 4.526 -8.337 1.00 35.11 H new ATOM 76 N VAL A 29 9.183 6.346 -10.365 1.00 2.13 N ATOM 77 CA VAL A 29 8.892 6.807 -11.714 1.00 35.32 C ATOM 78 C VAL A 29 9.330 5.801 -12.767 1.00 44.52 C ATOM 79 O VAL A 29 10.275 5.033 -12.570 1.00 54.14 O ATOM 80 CB VAL A 29 9.545 8.171 -12.021 1.00 11.30 C ATOM 81 CG1 VAL A 29 8.680 9.306 -11.498 1.00 5.52 C ATOM 82 CG2 VAL A 29 10.946 8.245 -11.432 1.00 63.44 C ATOM 0 H VAL A 29 10.099 6.620 -10.010 1.00 2.13 H new ATOM 0 HA VAL A 29 7.809 6.919 -11.757 1.00 35.32 H new ATOM 0 HB VAL A 29 9.628 8.274 -13.103 1.00 11.30 H new ATOM 0 HG11 VAL A 29 9.156 10.260 -11.724 1.00 5.52 H new ATOM 0 HG12 VAL A 29 7.701 9.267 -11.976 1.00 5.52 H new ATOM 0 HG13 VAL A 29 8.561 9.206 -10.419 1.00 5.52 H new ATOM 0 HG21 VAL A 29 11.386 9.215 -11.661 1.00 63.44 H new ATOM 0 HG22 VAL A 29 10.893 8.117 -10.351 1.00 63.44 H new ATOM 0 HG23 VAL A 29 11.563 7.456 -11.861 1.00 63.44 H new ATOM 92 N LEU A 30 8.615 5.807 -13.876 1.00 3.41 N ATOM 93 CA LEU A 30 8.937 4.973 -15.016 1.00 2.54 C ATOM 94 C LEU A 30 9.072 5.841 -16.259 1.00 41.24 C ATOM 95 O LEU A 30 8.147 6.581 -16.611 1.00 64.31 O ATOM 96 CB LEU A 30 7.847 3.919 -15.223 1.00 5.32 C ATOM 97 CG LEU A 30 8.067 2.973 -16.405 1.00 45.24 C ATOM 98 CD1 LEU A 30 9.309 2.120 -16.188 1.00 0.21 C ATOM 99 CD2 LEU A 30 6.844 2.094 -16.613 1.00 41.35 C ATOM 0 H LEU A 30 7.791 6.393 -14.011 1.00 3.41 H new ATOM 0 HA LEU A 30 9.882 4.462 -14.832 1.00 2.54 H new ATOM 0 HB2 LEU A 30 7.763 3.324 -14.314 1.00 5.32 H new ATOM 0 HB3 LEU A 30 6.893 4.429 -15.360 1.00 5.32 H new ATOM 0 HG LEU A 30 8.220 3.573 -17.302 1.00 45.24 H new ATOM 0 HD11 LEU A 30 9.447 1.455 -17.040 1.00 0.21 H new ATOM 0 HD12 LEU A 30 10.181 2.766 -16.087 1.00 0.21 H new ATOM 0 HD13 LEU A 30 9.190 1.528 -15.281 1.00 0.21 H new ATOM 0 HD21 LEU A 30 7.015 1.426 -17.457 1.00 41.35 H new ATOM 0 HD22 LEU A 30 6.663 1.504 -15.715 1.00 41.35 H new ATOM 0 HD23 LEU A 30 5.976 2.721 -16.816 1.00 41.35 H new ATOM 111 N SER A 31 10.227 5.767 -16.904 1.00 12.25 N ATOM 112 CA SER A 31 10.476 6.535 -18.111 1.00 13.33 C ATOM 113 C SER A 31 10.004 5.766 -19.343 1.00 60.33 C ATOM 114 O SER A 31 10.634 4.793 -19.765 1.00 22.13 O ATOM 115 CB SER A 31 11.965 6.861 -18.231 1.00 21.20 C ATOM 116 OG SER A 31 12.437 7.532 -17.073 1.00 62.33 O ATOM 0 H SER A 31 11.008 5.180 -16.609 1.00 12.25 H new ATOM 0 HA SER A 31 9.915 7.467 -18.049 1.00 13.33 H new ATOM 0 HB2 SER A 31 12.531 5.941 -18.378 1.00 21.20 H new ATOM 0 HB3 SER A 31 12.134 7.483 -19.110 1.00 21.20 H new ATOM 0 HG SER A 31 13.392 7.727 -17.175 1.00 62.33 H new ATOM 122 N LYS A 32 8.882 6.195 -19.899 1.00 62.33 N ATOM 123 CA LYS A 32 8.337 5.582 -21.098 1.00 61.13 C ATOM 124 C LYS A 32 7.977 6.662 -22.104 1.00 0.42 C ATOM 125 O LYS A 32 7.243 7.595 -21.783 1.00 43.54 O ATOM 126 CB LYS A 32 7.107 4.732 -20.751 1.00 14.14 C ATOM 127 CG LYS A 32 6.412 4.120 -21.961 1.00 2.44 C ATOM 128 CD LYS A 32 7.377 3.326 -22.829 1.00 62.44 C ATOM 129 CE LYS A 32 6.677 2.700 -24.024 1.00 4.13 C ATOM 130 NZ LYS A 32 5.831 3.679 -24.759 1.00 3.20 N ATOM 0 H LYS A 32 8.328 6.971 -19.535 1.00 62.33 H new ATOM 0 HA LYS A 32 9.088 4.926 -21.539 1.00 61.13 H new ATOM 0 HB2 LYS A 32 7.411 3.931 -20.076 1.00 14.14 H new ATOM 0 HB3 LYS A 32 6.392 5.351 -20.209 1.00 14.14 H new ATOM 0 HG2 LYS A 32 5.606 3.468 -21.625 1.00 2.44 H new ATOM 0 HG3 LYS A 32 5.956 4.911 -22.556 1.00 2.44 H new ATOM 0 HD2 LYS A 32 8.175 3.981 -23.178 1.00 62.44 H new ATOM 0 HD3 LYS A 32 7.845 2.544 -22.231 1.00 62.44 H new ATOM 0 HE2 LYS A 32 7.422 2.285 -24.703 1.00 4.13 H new ATOM 0 HE3 LYS A 32 6.057 1.870 -23.685 1.00 4.13 H new ATOM 0 HZ1 LYS A 32 5.567 3.284 -25.684 1.00 3.20 H new ATOM 0 HZ2 LYS A 32 4.971 3.877 -24.208 1.00 3.20 H new ATOM 0 HZ3 LYS A 32 6.363 4.561 -24.899 1.00 3.20 H new ATOM 285 N GLN A 41 8.070 10.227 -21.239 1.00 0.34 N ATOM 286 CA GLN A 41 7.411 10.809 -20.090 1.00 52.42 C ATOM 287 C GLN A 41 7.731 9.989 -18.857 1.00 44.31 C ATOM 288 O GLN A 41 7.907 8.769 -18.934 1.00 31.54 O ATOM 289 CB GLN A 41 5.896 10.900 -20.287 1.00 51.44 C ATOM 290 CG GLN A 41 5.195 9.554 -20.344 1.00 40.54 C ATOM 291 CD GLN A 41 3.687 9.680 -20.268 1.00 13.44 C ATOM 292 OE1 GLN A 41 2.958 8.870 -20.832 1.00 11.02 O ATOM 293 NE2 GLN A 41 3.209 10.687 -19.552 1.00 21.54 N ATOM 0 HA GLN A 41 7.783 11.826 -19.965 1.00 52.42 H new ATOM 0 HB2 GLN A 41 5.469 11.485 -19.473 1.00 51.44 H new ATOM 0 HB3 GLN A 41 5.693 11.443 -21.210 1.00 51.44 H new ATOM 0 HG2 GLN A 41 5.467 9.045 -21.269 1.00 40.54 H new ATOM 0 HG3 GLN A 41 5.546 8.930 -19.522 1.00 40.54 H new ATOM 0 HE21 GLN A 41 3.849 11.339 -19.098 1.00 21.54 H new ATOM 0 HE22 GLN A 41 2.201 10.810 -19.454 1.00 21.54 H new ATOM 302 N ASP A 42 7.827 10.666 -17.735 1.00 23.30 N ATOM 303 CA ASP A 42 8.100 10.008 -16.472 1.00 34.44 C ATOM 304 C ASP A 42 6.819 9.915 -15.660 1.00 61.32 C ATOM 305 O ASP A 42 6.269 10.918 -15.209 1.00 42.42 O ATOM 306 CB ASP A 42 9.217 10.720 -15.687 1.00 40.22 C ATOM 307 CG ASP A 42 8.906 12.162 -15.319 1.00 3.12 C ATOM 308 OD1 ASP A 42 8.470 12.936 -16.201 1.00 54.31 O ATOM 309 OD2 ASP A 42 9.146 12.545 -14.154 1.00 72.12 O ATOM 0 H ASP A 42 7.720 11.678 -17.669 1.00 23.30 H new ATOM 0 HA ASP A 42 8.461 9.000 -16.676 1.00 34.44 H new ATOM 0 HB2 ASP A 42 9.416 10.160 -14.773 1.00 40.22 H new ATOM 0 HB3 ASP A 42 10.131 10.698 -16.280 1.00 40.22 H new ATOM 314 N ARG A 43 6.332 8.697 -15.514 1.00 23.12 N ATOM 315 CA ARG A 43 5.067 8.455 -14.842 1.00 3.51 C ATOM 316 C ARG A 43 5.315 7.810 -13.496 1.00 44.14 C ATOM 317 O ARG A 43 6.259 7.039 -13.341 1.00 40.53 O ATOM 318 CB ARG A 43 4.161 7.567 -15.702 1.00 0.44 C ATOM 319 CG ARG A 43 4.819 6.269 -16.152 1.00 24.11 C ATOM 320 CD ARG A 43 3.895 5.441 -17.031 1.00 55.11 C ATOM 321 NE ARG A 43 3.554 6.124 -18.279 1.00 3.32 N ATOM 322 CZ ARG A 43 2.937 5.537 -19.307 1.00 20.13 C ATOM 323 NH1 ARG A 43 2.594 4.255 -19.246 1.00 0.43 N ATOM 324 NH2 ARG A 43 2.656 6.232 -20.401 1.00 14.11 N ATOM 0 H ARG A 43 6.796 7.854 -15.854 1.00 23.12 H new ATOM 0 HA ARG A 43 4.563 9.409 -14.690 1.00 3.51 H new ATOM 0 HB2 ARG A 43 3.259 7.329 -15.137 1.00 0.44 H new ATOM 0 HB3 ARG A 43 3.847 8.128 -16.582 1.00 0.44 H new ATOM 0 HG2 ARG A 43 5.734 6.496 -16.699 1.00 24.11 H new ATOM 0 HG3 ARG A 43 5.107 5.686 -15.277 1.00 24.11 H new ATOM 0 HD2 ARG A 43 4.373 4.488 -17.260 1.00 55.11 H new ATOM 0 HD3 ARG A 43 2.981 5.215 -16.482 1.00 55.11 H new ATOM 0 HE ARG A 43 3.803 7.109 -18.369 1.00 3.32 H new ATOM 0 HH11 ARG A 43 2.802 3.711 -18.409 1.00 0.43 H new ATOM 0 HH12 ARG A 43 2.123 3.815 -20.036 1.00 0.43 H new ATOM 0 HH21 ARG A 43 2.911 7.218 -20.459 1.00 14.11 H new ATOM 0 HH22 ARG A 43 2.185 5.781 -21.185 1.00 14.11 H new ATOM 338 N TRP A 44 4.473 8.116 -12.528 1.00 74.45 N ATOM 339 CA TRP A 44 4.675 7.608 -11.181 1.00 41.22 C ATOM 340 C TRP A 44 3.885 6.326 -10.986 1.00 44.44 C ATOM 341 O TRP A 44 2.662 6.341 -10.986 1.00 11.40 O ATOM 342 CB TRP A 44 4.266 8.654 -10.142 1.00 55.03 C ATOM 343 CG TRP A 44 4.550 8.232 -8.733 1.00 65.24 C ATOM 344 CD1 TRP A 44 3.675 7.669 -7.852 1.00 63.13 C ATOM 345 CD2 TRP A 44 5.801 8.331 -8.048 1.00 4.05 C ATOM 346 NE1 TRP A 44 4.302 7.424 -6.657 1.00 42.21 N ATOM 347 CE2 TRP A 44 5.607 7.819 -6.753 1.00 51.44 C ATOM 348 CE3 TRP A 44 7.067 8.806 -8.402 1.00 34.14 C ATOM 349 CZ2 TRP A 44 6.631 7.765 -5.813 1.00 64.21 C ATOM 350 CZ3 TRP A 44 8.082 8.752 -7.469 1.00 43.13 C ATOM 351 CH2 TRP A 44 7.860 8.235 -6.187 1.00 3.44 C ATOM 0 H TRP A 44 3.650 8.707 -12.645 1.00 74.45 H new ATOM 0 HA TRP A 44 5.735 7.392 -11.045 1.00 41.22 H new ATOM 0 HB2 TRP A 44 4.793 9.586 -10.348 1.00 55.03 H new ATOM 0 HB3 TRP A 44 3.201 8.861 -10.244 1.00 55.03 H new ATOM 0 HD1 TRP A 44 2.639 7.448 -8.064 1.00 63.13 H new ATOM 0 HE1 TRP A 44 3.866 7.014 -5.831 1.00 42.21 H new ATOM 0 HE3 TRP A 44 7.247 9.208 -9.388 1.00 34.14 H new ATOM 0 HZ2 TRP A 44 6.462 7.366 -4.824 1.00 64.21 H new ATOM 0 HZ3 TRP A 44 9.065 9.115 -7.732 1.00 43.13 H new ATOM 0 HH2 TRP A 44 8.675 8.207 -5.479 1.00 3.44 H new ATOM 362 N VAL A 45 4.587 5.222 -10.821 1.00 42.23 N ATOM 363 CA VAL A 45 3.945 3.927 -10.709 1.00 74.22 C ATOM 364 C VAL A 45 3.963 3.442 -9.267 1.00 53.11 C ATOM 365 O VAL A 45 4.942 3.633 -8.533 1.00 2.01 O ATOM 366 CB VAL A 45 4.592 2.866 -11.635 1.00 3.43 C ATOM 367 CG1 VAL A 45 4.546 3.325 -13.084 1.00 12.22 C ATOM 368 CG2 VAL A 45 6.024 2.557 -11.217 1.00 14.44 C ATOM 0 H VAL A 45 5.605 5.196 -10.761 1.00 42.23 H new ATOM 0 HA VAL A 45 2.912 4.057 -11.032 1.00 74.22 H new ATOM 0 HB VAL A 45 4.014 1.947 -11.540 1.00 3.43 H new ATOM 0 HG11 VAL A 45 5.005 2.568 -13.720 1.00 12.22 H new ATOM 0 HG12 VAL A 45 3.509 3.473 -13.386 1.00 12.22 H new ATOM 0 HG13 VAL A 45 5.091 4.263 -13.186 1.00 12.22 H new ATOM 0 HG21 VAL A 45 6.446 1.809 -11.889 1.00 14.44 H new ATOM 0 HG22 VAL A 45 6.622 3.467 -11.266 1.00 14.44 H new ATOM 0 HG23 VAL A 45 6.030 2.173 -10.197 1.00 14.44 H new ATOM 378 N VAL A 46 2.860 2.836 -8.869 1.00 33.33 N ATOM 379 CA VAL A 46 2.681 2.341 -7.521 1.00 33.10 C ATOM 380 C VAL A 46 2.142 0.914 -7.541 1.00 31.10 C ATOM 381 O VAL A 46 1.049 0.656 -8.044 1.00 1.31 O ATOM 382 CB VAL A 46 1.717 3.242 -6.720 1.00 62.34 C ATOM 383 CG1 VAL A 46 1.229 2.534 -5.468 1.00 12.24 C ATOM 384 CG2 VAL A 46 2.389 4.556 -6.357 1.00 4.23 C ATOM 0 H VAL A 46 2.058 2.673 -9.478 1.00 33.33 H new ATOM 0 HA VAL A 46 3.657 2.352 -7.035 1.00 33.10 H new ATOM 0 HB VAL A 46 0.854 3.457 -7.350 1.00 62.34 H new ATOM 0 HG11 VAL A 46 0.551 3.189 -4.920 1.00 12.24 H new ATOM 0 HG12 VAL A 46 0.704 1.621 -5.748 1.00 12.24 H new ATOM 0 HG13 VAL A 46 2.081 2.284 -4.836 1.00 12.24 H new ATOM 0 HG21 VAL A 46 1.693 5.177 -5.793 1.00 4.23 H new ATOM 0 HG22 VAL A 46 3.272 4.357 -5.750 1.00 4.23 H new ATOM 0 HG23 VAL A 46 2.684 5.077 -7.268 1.00 4.23 H new ATOM 394 N LEU A 47 2.924 -0.002 -6.998 1.00 32.25 N ATOM 395 CA LEU A 47 2.524 -1.395 -6.884 1.00 24.22 C ATOM 396 C LEU A 47 2.119 -1.659 -5.442 1.00 44.02 C ATOM 397 O LEU A 47 2.870 -1.334 -4.523 1.00 23.31 O ATOM 398 CB LEU A 47 3.696 -2.306 -7.308 1.00 54.23 C ATOM 399 CG LEU A 47 3.396 -3.808 -7.496 1.00 5.04 C ATOM 400 CD1 LEU A 47 3.202 -4.518 -6.165 1.00 0.04 C ATOM 401 CD2 LEU A 47 2.177 -4.007 -8.378 1.00 13.53 C ATOM 0 H LEU A 47 3.852 0.197 -6.624 1.00 32.25 H new ATOM 0 HA LEU A 47 1.679 -1.609 -7.539 1.00 24.22 H new ATOM 0 HB2 LEU A 47 4.098 -1.923 -8.246 1.00 54.23 H new ATOM 0 HB3 LEU A 47 4.484 -2.211 -6.561 1.00 54.23 H new ATOM 0 HG LEU A 47 4.263 -4.250 -7.986 1.00 5.04 H new ATOM 0 HD11 LEU A 47 2.993 -5.573 -6.342 1.00 0.04 H new ATOM 0 HD12 LEU A 47 4.108 -4.423 -5.567 1.00 0.04 H new ATOM 0 HD13 LEU A 47 2.366 -4.067 -5.631 1.00 0.04 H new ATOM 0 HD21 LEU A 47 1.984 -5.073 -8.497 1.00 13.53 H new ATOM 0 HD22 LEU A 47 1.312 -3.531 -7.916 1.00 13.53 H new ATOM 0 HD23 LEU A 47 2.358 -3.560 -9.355 1.00 13.53 H new ATOM 413 N LYS A 48 0.930 -2.208 -5.242 1.00 24.25 N ATOM 414 CA LYS A 48 0.464 -2.564 -3.907 1.00 14.51 C ATOM 415 C LYS A 48 -0.815 -3.362 -4.007 1.00 1.00 C ATOM 416 O LYS A 48 -1.490 -3.322 -5.034 1.00 53.35 O ATOM 417 CB LYS A 48 0.250 -1.332 -3.032 1.00 13.32 C ATOM 418 CG LYS A 48 -1.082 -0.659 -3.243 1.00 60.41 C ATOM 419 CD LYS A 48 -1.139 0.111 -4.551 1.00 40.23 C ATOM 420 CE LYS A 48 -2.515 0.722 -4.766 1.00 13.05 C ATOM 421 NZ LYS A 48 -2.571 1.584 -5.980 1.00 33.44 N ATOM 0 H LYS A 48 0.267 -2.418 -5.989 1.00 24.25 H new ATOM 0 HA LYS A 48 1.237 -3.170 -3.434 1.00 14.51 H new ATOM 0 HB2 LYS A 48 0.338 -1.622 -1.985 1.00 13.32 H new ATOM 0 HB3 LYS A 48 1.045 -0.614 -3.232 1.00 13.32 H new ATOM 0 HG2 LYS A 48 -1.872 -1.410 -3.232 1.00 60.41 H new ATOM 0 HG3 LYS A 48 -1.278 0.022 -2.415 1.00 60.41 H new ATOM 0 HD2 LYS A 48 -0.385 0.898 -4.547 1.00 40.23 H new ATOM 0 HD3 LYS A 48 -0.900 -0.555 -5.380 1.00 40.23 H new ATOM 0 HE2 LYS A 48 -3.253 -0.075 -4.855 1.00 13.05 H new ATOM 0 HE3 LYS A 48 -2.788 1.313 -3.892 1.00 13.05 H new ATOM 0 HZ1 LYS A 48 -3.341 2.276 -5.879 1.00 33.44 H new ATOM 0 HZ2 LYS A 48 -1.667 2.086 -6.092 1.00 33.44 H new ATOM 0 HZ3 LYS A 48 -2.744 0.993 -6.818 1.00 33.44 H new ATOM 435 N ASN A 49 -1.160 -4.063 -2.934 1.00 52.44 N ATOM 436 CA ASN A 49 -2.218 -5.055 -2.997 1.00 1.44 C ATOM 437 C ASN A 49 -1.881 -5.997 -4.143 1.00 23.14 C ATOM 438 O ASN A 49 -0.707 -6.230 -4.433 1.00 62.41 O ATOM 439 CB ASN A 49 -3.583 -4.387 -3.222 1.00 4.30 C ATOM 440 CG ASN A 49 -3.914 -3.352 -2.162 1.00 51.55 C ATOM 441 OD1 ASN A 49 -3.517 -3.478 -1.004 1.00 41.12 O ATOM 442 ND2 ASN A 49 -4.629 -2.313 -2.556 1.00 74.12 N ATOM 0 H ASN A 49 -0.724 -3.962 -2.017 1.00 52.44 H new ATOM 0 HA ASN A 49 -2.286 -5.603 -2.057 1.00 1.44 H new ATOM 0 HB2 ASN A 49 -3.592 -3.912 -4.203 1.00 4.30 H new ATOM 0 HB3 ASN A 49 -4.359 -5.152 -3.231 1.00 4.30 H new ATOM 0 HD21 ASN A 49 -4.871 -1.578 -1.891 1.00 74.12 H new ATOM 0 HD22 ASN A 49 -4.939 -2.245 -3.525 1.00 74.12 H new ATOM 449 N ASN A 50 -2.871 -6.536 -4.805 1.00 14.15 N ATOM 450 CA ASN A 50 -2.600 -7.290 -6.010 1.00 41.13 C ATOM 451 C ASN A 50 -2.849 -6.401 -7.222 1.00 13.00 C ATOM 452 O ASN A 50 -3.270 -6.870 -8.281 1.00 41.22 O ATOM 453 CB ASN A 50 -3.468 -8.544 -6.070 1.00 40.34 C ATOM 454 CG ASN A 50 -2.922 -9.590 -7.029 1.00 14.03 C ATOM 455 OD1 ASN A 50 -3.684 -10.336 -7.643 1.00 14.43 O ATOM 456 ND2 ASN A 50 -1.599 -9.672 -7.152 1.00 33.41 N ATOM 0 H ASN A 50 -3.854 -6.472 -4.541 1.00 14.15 H new ATOM 0 HA ASN A 50 -1.558 -7.611 -6.008 1.00 41.13 H new ATOM 0 HB2 ASN A 50 -3.544 -8.976 -5.072 1.00 40.34 H new ATOM 0 HB3 ASN A 50 -4.477 -8.268 -6.376 1.00 40.34 H new ATOM 0 HD21 ASN A 50 -1.187 -10.370 -7.771 1.00 33.41 H new ATOM 0 HD22 ASN A 50 -0.998 -9.037 -6.627 1.00 33.41 H new ATOM 463 N ALA A 51 -2.560 -5.110 -7.073 1.00 2.21 N ATOM 464 CA ALA A 51 -2.850 -4.153 -8.128 1.00 12.25 C ATOM 465 C ALA A 51 -1.656 -3.251 -8.420 1.00 52.22 C ATOM 466 O ALA A 51 -0.796 -3.024 -7.565 1.00 71.43 O ATOM 467 CB ALA A 51 -4.060 -3.314 -7.758 1.00 52.42 C ATOM 0 H ALA A 51 -2.130 -4.709 -6.239 1.00 2.21 H new ATOM 0 HA ALA A 51 -3.066 -4.719 -9.034 1.00 12.25 H new ATOM 0 HB1 ALA A 51 -4.266 -2.601 -8.556 1.00 52.42 H new ATOM 0 HB2 ALA A 51 -4.924 -3.963 -7.619 1.00 52.42 H new ATOM 0 HB3 ALA A 51 -3.859 -2.774 -6.833 1.00 52.42 H new ATOM 473 N LEU A 52 -1.610 -2.744 -9.637 1.00 2.04 N ATOM 474 CA LEU A 52 -0.576 -1.813 -10.039 1.00 32.32 C ATOM 475 C LEU A 52 -1.219 -0.575 -10.626 1.00 35.32 C ATOM 476 O LEU A 52 -2.118 -0.672 -11.459 1.00 1.24 O ATOM 477 CB LEU A 52 0.363 -2.450 -11.060 1.00 21.20 C ATOM 478 CG LEU A 52 1.454 -1.529 -11.608 1.00 3.00 C ATOM 479 CD1 LEU A 52 2.352 -1.015 -10.494 1.00 74.12 C ATOM 480 CD2 LEU A 52 2.275 -2.258 -12.649 1.00 63.23 C ATOM 0 H LEU A 52 -2.284 -2.965 -10.370 1.00 2.04 H new ATOM 0 HA LEU A 52 0.013 -1.541 -9.163 1.00 32.32 H new ATOM 0 HB2 LEU A 52 0.839 -3.316 -10.601 1.00 21.20 H new ATOM 0 HB3 LEU A 52 -0.232 -2.819 -11.896 1.00 21.20 H new ATOM 0 HG LEU A 52 0.970 -0.670 -12.072 1.00 3.00 H new ATOM 0 HD11 LEU A 52 3.117 -0.363 -10.915 1.00 74.12 H new ATOM 0 HD12 LEU A 52 1.755 -0.455 -9.774 1.00 74.12 H new ATOM 0 HD13 LEU A 52 2.829 -1.858 -9.993 1.00 74.12 H new ATOM 0 HD21 LEU A 52 3.049 -1.593 -13.033 1.00 63.23 H new ATOM 0 HD22 LEU A 52 2.740 -3.134 -12.197 1.00 63.23 H new ATOM 0 HD23 LEU A 52 1.628 -2.572 -13.468 1.00 63.23 H new ATOM 492 N SER A 53 -0.757 0.580 -10.194 1.00 1.24 N ATOM 493 CA SER A 53 -1.343 1.835 -10.622 1.00 31.11 C ATOM 494 C SER A 53 -0.247 2.795 -11.063 1.00 44.34 C ATOM 495 O SER A 53 0.923 2.572 -10.773 1.00 71.45 O ATOM 496 CB SER A 53 -2.148 2.451 -9.472 1.00 63.13 C ATOM 497 OG SER A 53 -2.961 1.476 -8.833 1.00 62.54 O ATOM 0 H SER A 53 0.024 0.677 -9.545 1.00 1.24 H new ATOM 0 HA SER A 53 -2.010 1.649 -11.464 1.00 31.11 H new ATOM 0 HB2 SER A 53 -1.467 2.894 -8.745 1.00 63.13 H new ATOM 0 HB3 SER A 53 -2.775 3.257 -9.854 1.00 63.13 H new ATOM 0 HG SER A 53 -3.679 1.923 -8.338 1.00 62.54 H new ATOM 503 N TYR A 54 -0.613 3.839 -11.789 1.00 2.41 N ATOM 504 CA TYR A 54 0.335 4.893 -12.106 1.00 2.40 C ATOM 505 C TYR A 54 -0.380 6.233 -12.198 1.00 34.34 C ATOM 506 O TYR A 54 -1.587 6.294 -12.442 1.00 1.04 O ATOM 507 CB TYR A 54 1.119 4.584 -13.395 1.00 31.40 C ATOM 508 CG TYR A 54 0.493 5.083 -14.680 1.00 33.32 C ATOM 509 CD1 TYR A 54 -0.408 4.304 -15.389 1.00 53.32 C ATOM 510 CD2 TYR A 54 0.828 6.329 -15.192 1.00 63.31 C ATOM 511 CE1 TYR A 54 -0.960 4.752 -16.573 1.00 74.44 C ATOM 512 CE2 TYR A 54 0.278 6.788 -16.370 1.00 73.34 C ATOM 513 CZ TYR A 54 -0.615 5.995 -17.060 1.00 63.43 C ATOM 514 OH TYR A 54 -1.163 6.447 -18.238 1.00 11.22 O ATOM 0 H TYR A 54 -1.550 3.978 -12.166 1.00 2.41 H new ATOM 0 HA TYR A 54 1.065 4.947 -11.298 1.00 2.40 H new ATOM 0 HB2 TYR A 54 2.115 5.018 -13.305 1.00 31.40 H new ATOM 0 HB3 TYR A 54 1.247 3.504 -13.470 1.00 31.40 H new ATOM 0 HD1 TYR A 54 -0.683 3.331 -15.009 1.00 53.32 H new ATOM 0 HD2 TYR A 54 1.532 6.950 -14.658 1.00 63.31 H new ATOM 0 HE1 TYR A 54 -1.659 4.132 -17.115 1.00 74.44 H new ATOM 0 HE2 TYR A 54 0.545 7.763 -16.750 1.00 73.34 H new ATOM 0 HH TYR A 54 -0.816 7.341 -18.439 1.00 11.22 H new ATOM 524 N TYR A 55 0.376 7.294 -11.986 1.00 74.22 N ATOM 525 CA TYR A 55 -0.150 8.640 -11.928 1.00 0.04 C ATOM 526 C TYR A 55 0.704 9.541 -12.803 1.00 75.15 C ATOM 527 O TYR A 55 1.780 9.135 -13.252 1.00 4.24 O ATOM 528 CB TYR A 55 -0.127 9.150 -10.483 1.00 3.52 C ATOM 529 CG TYR A 55 -0.641 8.144 -9.475 1.00 51.32 C ATOM 530 CD1 TYR A 55 -1.989 8.077 -9.156 1.00 14.04 C ATOM 531 CD2 TYR A 55 0.225 7.258 -8.843 1.00 12.02 C ATOM 532 CE1 TYR A 55 -2.463 7.160 -8.239 1.00 40.24 C ATOM 533 CE2 TYR A 55 -0.242 6.338 -7.924 1.00 4.22 C ATOM 534 CZ TYR A 55 -1.587 6.293 -7.626 1.00 3.54 C ATOM 535 OH TYR A 55 -2.058 5.380 -6.711 1.00 74.13 O ATOM 0 H TYR A 55 1.385 7.242 -11.848 1.00 74.22 H new ATOM 0 HA TYR A 55 -1.180 8.645 -12.285 1.00 0.04 H new ATOM 0 HB2 TYR A 55 0.894 9.425 -10.220 1.00 3.52 H new ATOM 0 HB3 TYR A 55 -0.728 10.057 -10.417 1.00 3.52 H new ATOM 0 HD1 TYR A 55 -2.681 8.755 -9.634 1.00 14.04 H new ATOM 0 HD2 TYR A 55 1.279 7.290 -9.074 1.00 12.02 H new ATOM 0 HE1 TYR A 55 -3.516 7.123 -8.004 1.00 40.24 H new ATOM 0 HE2 TYR A 55 0.444 5.657 -7.441 1.00 4.22 H new ATOM 0 HH TYR A 55 -1.312 4.842 -6.372 1.00 74.13 H new ATOM 545 N LYS A 56 0.231 10.752 -13.041 1.00 54.41 N ATOM 546 CA LYS A 56 0.974 11.714 -13.845 1.00 73.41 C ATOM 547 C LYS A 56 2.302 12.072 -13.188 1.00 44.45 C ATOM 548 O LYS A 56 3.325 12.179 -13.860 1.00 64.11 O ATOM 549 CB LYS A 56 0.148 12.981 -14.067 1.00 40.05 C ATOM 550 CG LYS A 56 -1.029 12.797 -15.011 1.00 41.45 C ATOM 551 CD LYS A 56 -0.574 12.360 -16.399 1.00 22.11 C ATOM 552 CE LYS A 56 0.396 13.357 -17.024 1.00 64.12 C ATOM 553 NZ LYS A 56 -0.217 14.697 -17.215 1.00 1.13 N ATOM 0 H LYS A 56 -0.663 11.095 -12.690 1.00 54.41 H new ATOM 0 HA LYS A 56 1.180 11.249 -14.809 1.00 73.41 H new ATOM 0 HB2 LYS A 56 -0.224 13.333 -13.105 1.00 40.05 H new ATOM 0 HB3 LYS A 56 0.798 13.761 -14.462 1.00 40.05 H new ATOM 0 HG2 LYS A 56 -1.712 12.053 -14.601 1.00 41.45 H new ATOM 0 HG3 LYS A 56 -1.584 13.732 -15.087 1.00 41.45 H new ATOM 0 HD2 LYS A 56 -0.096 11.383 -16.333 1.00 22.11 H new ATOM 0 HD3 LYS A 56 -1.444 12.246 -17.046 1.00 22.11 H new ATOM 0 HE2 LYS A 56 1.277 13.450 -16.389 1.00 64.12 H new ATOM 0 HE3 LYS A 56 0.736 12.975 -17.987 1.00 64.12 H new ATOM 0 HZ1 LYS A 56 0.450 15.315 -17.719 1.00 1.13 H new ATOM 0 HZ2 LYS A 56 -1.090 14.603 -17.772 1.00 1.13 H new ATOM 0 HZ3 LYS A 56 -0.441 15.112 -16.288 1.00 1.13 H new ATOM 567 N SER A 57 2.280 12.260 -11.875 1.00 23.22 N ATOM 568 CA SER A 57 3.484 12.598 -11.129 1.00 32.31 C ATOM 569 C SER A 57 3.360 12.103 -9.688 1.00 43.24 C ATOM 570 O SER A 57 2.318 11.561 -9.307 1.00 12.41 O ATOM 571 CB SER A 57 3.723 14.110 -11.167 1.00 40.35 C ATOM 572 OG SER A 57 3.772 14.585 -12.503 1.00 2.04 O ATOM 0 H SER A 57 1.439 12.184 -11.304 1.00 23.22 H new ATOM 0 HA SER A 57 4.340 12.107 -11.591 1.00 32.31 H new ATOM 0 HB2 SER A 57 2.927 14.621 -10.625 1.00 40.35 H new ATOM 0 HB3 SER A 57 4.658 14.347 -10.659 1.00 40.35 H new ATOM 0 HG SER A 57 3.924 15.553 -12.501 1.00 2.04 H new ATOM 578 N GLU A 58 4.409 12.310 -8.895 1.00 73.52 N ATOM 579 CA GLU A 58 4.483 11.761 -7.539 1.00 74.22 C ATOM 580 C GLU A 58 3.405 12.331 -6.620 1.00 12.14 C ATOM 581 O GLU A 58 2.996 11.676 -5.658 1.00 62.22 O ATOM 582 CB GLU A 58 5.857 12.024 -6.925 1.00 71.22 C ATOM 583 CG GLU A 58 5.975 11.520 -5.498 1.00 3.24 C ATOM 584 CD GLU A 58 7.318 11.839 -4.872 1.00 31.43 C ATOM 585 OE1 GLU A 58 8.300 11.117 -5.141 1.00 12.20 O ATOM 586 OE2 GLU A 58 7.402 12.822 -4.108 1.00 42.21 O ATOM 0 H GLU A 58 5.225 12.857 -9.169 1.00 73.52 H new ATOM 0 HA GLU A 58 4.316 10.688 -7.630 1.00 74.22 H new ATOM 0 HB2 GLU A 58 6.621 11.545 -7.538 1.00 71.22 H new ATOM 0 HB3 GLU A 58 6.058 13.095 -6.944 1.00 71.22 H new ATOM 0 HG2 GLU A 58 5.183 11.963 -4.894 1.00 3.24 H new ATOM 0 HG3 GLU A 58 5.820 10.441 -5.484 1.00 3.24 H new ATOM 593 N ASP A 59 2.959 13.553 -6.900 1.00 75.24 N ATOM 594 CA ASP A 59 1.902 14.178 -6.104 1.00 35.42 C ATOM 595 C ASP A 59 0.691 13.260 -6.013 1.00 61.32 C ATOM 596 O ASP A 59 0.048 13.195 -4.974 1.00 43.05 O ATOM 597 CB ASP A 59 1.491 15.521 -6.702 1.00 74.11 C ATOM 598 CG ASP A 59 0.387 16.191 -5.909 1.00 22.44 C ATOM 599 OD1 ASP A 59 0.683 16.750 -4.829 1.00 33.33 O ATOM 600 OD2 ASP A 59 -0.777 16.164 -6.357 1.00 71.41 O ATOM 0 H ASP A 59 3.309 14.128 -7.666 1.00 75.24 H new ATOM 0 HA ASP A 59 2.294 14.350 -5.102 1.00 35.42 H new ATOM 0 HB2 ASP A 59 2.359 16.180 -6.740 1.00 74.11 H new ATOM 0 HB3 ASP A 59 1.158 15.372 -7.729 1.00 74.11 H new ATOM 605 N GLU A 60 0.457 12.533 -7.117 1.00 62.32 N ATOM 606 CA GLU A 60 -0.602 11.528 -7.296 1.00 33.43 C ATOM 607 C GLU A 60 -2.040 11.952 -6.921 1.00 2.12 C ATOM 608 O GLU A 60 -2.967 11.659 -7.677 1.00 73.53 O ATOM 609 CB GLU A 60 -0.200 10.185 -6.656 1.00 4.21 C ATOM 610 CG GLU A 60 0.118 10.200 -5.163 1.00 14.03 C ATOM 611 CD GLU A 60 -1.120 10.161 -4.284 1.00 24.22 C ATOM 612 OE1 GLU A 60 -1.980 9.280 -4.500 1.00 5.51 O ATOM 613 OE2 GLU A 60 -1.230 10.997 -3.360 1.00 53.12 O ATOM 0 H GLU A 60 1.032 12.636 -7.953 1.00 62.32 H new ATOM 0 HA GLU A 60 -0.672 11.409 -8.377 1.00 33.43 H new ATOM 0 HB2 GLU A 60 -1.009 9.474 -6.824 1.00 4.21 H new ATOM 0 HB3 GLU A 60 0.674 9.805 -7.185 1.00 4.21 H new ATOM 0 HG2 GLU A 60 0.751 9.345 -4.925 1.00 14.03 H new ATOM 0 HG3 GLU A 60 0.692 11.097 -4.930 1.00 14.03 H new ATOM 620 N THR A 61 -2.233 12.641 -5.807 1.00 52.43 N ATOM 621 CA THR A 61 -3.566 12.970 -5.312 1.00 60.15 C ATOM 622 C THR A 61 -4.417 13.705 -6.354 1.00 75.13 C ATOM 623 O THR A 61 -5.532 13.280 -6.657 1.00 25.23 O ATOM 624 CB THR A 61 -3.496 13.788 -3.997 1.00 35.11 C ATOM 625 OG1 THR A 61 -4.802 14.240 -3.614 1.00 34.10 O ATOM 626 CG2 THR A 61 -2.562 14.977 -4.124 1.00 2.35 C ATOM 0 H THR A 61 -1.474 12.988 -5.220 1.00 52.43 H new ATOM 0 HA THR A 61 -4.057 12.019 -5.104 1.00 60.15 H new ATOM 0 HB THR A 61 -3.102 13.126 -3.226 1.00 35.11 H new ATOM 0 HG1 THR A 61 -4.739 14.753 -2.781 1.00 34.10 H new ATOM 0 HG21 THR A 61 -2.540 15.525 -3.182 1.00 2.35 H new ATOM 0 HG22 THR A 61 -1.558 14.627 -4.364 1.00 2.35 H new ATOM 0 HG23 THR A 61 -2.916 15.635 -4.918 1.00 2.35 H new ATOM 634 N GLU A 62 -3.895 14.781 -6.928 1.00 55.02 N ATOM 635 CA GLU A 62 -4.672 15.556 -7.890 1.00 0.25 C ATOM 636 C GLU A 62 -4.457 15.046 -9.309 1.00 11.11 C ATOM 637 O GLU A 62 -4.989 15.606 -10.268 1.00 11.24 O ATOM 638 CB GLU A 62 -4.320 17.040 -7.826 1.00 31.30 C ATOM 639 CG GLU A 62 -2.932 17.371 -8.343 1.00 52.43 C ATOM 640 CD GLU A 62 -2.765 18.848 -8.606 1.00 72.43 C ATOM 641 OE1 GLU A 62 -2.381 19.584 -7.677 1.00 53.34 O ATOM 642 OE2 GLU A 62 -3.041 19.283 -9.743 1.00 40.11 O ATOM 0 H GLU A 62 -2.955 15.133 -6.750 1.00 55.02 H new ATOM 0 HA GLU A 62 -5.721 15.433 -7.622 1.00 0.25 H new ATOM 0 HB2 GLU A 62 -5.054 17.602 -8.403 1.00 31.30 H new ATOM 0 HB3 GLU A 62 -4.401 17.377 -6.793 1.00 31.30 H new ATOM 0 HG2 GLU A 62 -2.187 17.045 -7.617 1.00 52.43 H new ATOM 0 HG3 GLU A 62 -2.745 16.816 -9.262 1.00 52.43 H new ATOM 649 N TYR A 63 -3.673 13.993 -9.445 1.00 25.44 N ATOM 650 CA TYR A 63 -3.397 13.431 -10.754 1.00 63.54 C ATOM 651 C TYR A 63 -4.275 12.220 -11.014 1.00 42.15 C ATOM 652 O TYR A 63 -4.631 11.938 -12.157 1.00 54.03 O ATOM 653 CB TYR A 63 -1.918 13.070 -10.882 1.00 40.12 C ATOM 654 CG TYR A 63 -1.012 14.279 -10.892 1.00 12.50 C ATOM 655 CD1 TYR A 63 -1.196 15.299 -11.818 1.00 52.21 C ATOM 656 CD2 TYR A 63 0.029 14.403 -9.985 1.00 42.32 C ATOM 657 CE1 TYR A 63 -0.369 16.405 -11.839 1.00 51.15 C ATOM 658 CE2 TYR A 63 0.860 15.508 -9.998 1.00 2.15 C ATOM 659 CZ TYR A 63 0.658 16.504 -10.928 1.00 51.02 C ATOM 660 OH TYR A 63 1.487 17.603 -10.950 1.00 61.24 O ATOM 0 H TYR A 63 -3.218 13.511 -8.669 1.00 25.44 H new ATOM 0 HA TYR A 63 -3.629 14.184 -11.507 1.00 63.54 H new ATOM 0 HB2 TYR A 63 -1.636 12.419 -10.055 1.00 40.12 H new ATOM 0 HB3 TYR A 63 -1.767 12.502 -11.800 1.00 40.12 H new ATOM 0 HD1 TYR A 63 -2.001 15.225 -12.535 1.00 52.21 H new ATOM 0 HD2 TYR A 63 0.194 13.623 -9.256 1.00 42.32 H new ATOM 0 HE1 TYR A 63 -0.527 17.188 -12.566 1.00 51.15 H new ATOM 0 HE2 TYR A 63 1.664 15.590 -9.282 1.00 2.15 H new ATOM 0 HH TYR A 63 2.159 17.520 -10.242 1.00 61.24 H new ATOM 670 N GLY A 64 -4.618 11.512 -9.944 1.00 43.23 N ATOM 671 CA GLY A 64 -5.497 10.367 -10.054 1.00 63.34 C ATOM 672 C GLY A 64 -4.807 9.163 -10.663 1.00 40.24 C ATOM 673 O GLY A 64 -3.816 9.303 -11.387 1.00 44.44 O ATOM 0 H GLY A 64 -4.299 11.714 -8.996 1.00 43.23 H new ATOM 0 HA2 GLY A 64 -5.873 10.105 -9.065 1.00 63.34 H new ATOM 0 HA3 GLY A 64 -6.361 10.633 -10.663 1.00 63.34 H new ATOM 677 N CYS A 65 -5.310 7.975 -10.359 1.00 35.10 N ATOM 678 CA CYS A 65 -4.785 6.761 -10.953 1.00 52.31 C ATOM 679 C CYS A 65 -5.102 6.730 -12.443 1.00 44.21 C ATOM 680 O CYS A 65 -6.233 6.470 -12.855 1.00 71.23 O ATOM 681 CB CYS A 65 -5.340 5.525 -10.236 1.00 21.51 C ATOM 682 SG CYS A 65 -7.111 5.605 -9.870 1.00 53.34 S ATOM 0 H CYS A 65 -6.079 7.829 -9.705 1.00 35.10 H new ATOM 0 HA CYS A 65 -3.701 6.749 -10.836 1.00 52.31 H new ATOM 0 HB2 CYS A 65 -5.148 4.646 -10.852 1.00 21.51 H new ATOM 0 HB3 CYS A 65 -4.794 5.386 -9.303 1.00 21.51 H new ATOM 0 HG CYS A 65 -7.479 4.514 -9.267 1.00 53.34 H new ATOM 688 N ARG A 66 -4.091 7.029 -13.239 1.00 2.45 N ATOM 689 CA ARG A 66 -4.236 7.138 -14.681 1.00 72.12 C ATOM 690 C ARG A 66 -4.286 5.764 -15.322 1.00 43.14 C ATOM 691 O ARG A 66 -4.748 5.600 -16.449 1.00 40.42 O ATOM 692 CB ARG A 66 -3.082 7.961 -15.241 1.00 12.21 C ATOM 693 CG ARG A 66 -3.145 9.407 -14.800 1.00 20.40 C ATOM 694 CD ARG A 66 -4.416 10.050 -15.327 1.00 15.10 C ATOM 695 NE ARG A 66 -4.589 11.425 -14.880 1.00 40.03 N ATOM 696 CZ ARG A 66 -4.992 12.407 -15.678 1.00 51.52 C ATOM 697 NH1 ARG A 66 -5.243 12.160 -16.960 1.00 74.13 N ATOM 698 NH2 ARG A 66 -5.173 13.626 -15.194 1.00 64.24 N ATOM 0 H ARG A 66 -3.144 7.204 -12.904 1.00 2.45 H new ATOM 0 HA ARG A 66 -5.175 7.640 -14.912 1.00 72.12 H new ATOM 0 HB2 ARG A 66 -2.137 7.525 -14.918 1.00 12.21 H new ATOM 0 HB3 ARG A 66 -3.099 7.914 -16.330 1.00 12.21 H new ATOM 0 HG2 ARG A 66 -3.121 9.466 -13.712 1.00 20.40 H new ATOM 0 HG3 ARG A 66 -2.273 9.948 -15.168 1.00 20.40 H new ATOM 0 HD2 ARG A 66 -4.402 10.028 -16.417 1.00 15.10 H new ATOM 0 HD3 ARG A 66 -5.274 9.460 -15.007 1.00 15.10 H new ATOM 0 HE ARG A 66 -4.390 11.645 -13.904 1.00 40.03 H new ATOM 0 HH11 ARG A 66 -5.126 11.217 -17.330 1.00 74.13 H new ATOM 0 HH12 ARG A 66 -5.553 12.914 -17.573 1.00 74.13 H new ATOM 0 HH21 ARG A 66 -5.003 13.813 -14.206 1.00 64.24 H new ATOM 0 HH22 ARG A 66 -5.483 14.378 -15.809 1.00 64.24 H new ATOM 712 N GLY A 67 -3.803 4.789 -14.584 1.00 62.32 N ATOM 713 CA GLY A 67 -3.870 3.417 -15.011 1.00 12.02 C ATOM 714 C GLY A 67 -3.766 2.500 -13.826 1.00 25.22 C ATOM 715 O GLY A 67 -2.884 2.675 -12.989 1.00 3.41 O ATOM 0 H GLY A 67 -3.356 4.928 -13.678 1.00 62.32 H new ATOM 0 HA2 GLY A 67 -4.807 3.238 -15.538 1.00 12.02 H new ATOM 0 HA3 GLY A 67 -3.064 3.207 -15.714 1.00 12.02 H new ATOM 719 N SER A 68 -4.683 1.562 -13.725 1.00 3.24 N ATOM 720 CA SER A 68 -4.682 0.624 -12.619 1.00 25.40 C ATOM 721 C SER A 68 -5.083 -0.755 -13.117 1.00 61.44 C ATOM 722 O SER A 68 -6.129 -0.921 -13.747 1.00 52.34 O ATOM 723 CB SER A 68 -5.629 1.101 -11.512 1.00 73.21 C ATOM 724 OG SER A 68 -5.401 0.398 -10.300 1.00 51.45 O ATOM 0 H SER A 68 -5.440 1.427 -14.395 1.00 3.24 H new ATOM 0 HA SER A 68 -3.677 0.566 -12.200 1.00 25.40 H new ATOM 0 HB2 SER A 68 -5.490 2.169 -11.347 1.00 73.21 H new ATOM 0 HB3 SER A 68 -6.662 0.959 -11.828 1.00 73.21 H new ATOM 0 HG SER A 68 -4.610 0.765 -9.852 1.00 51.45 H new ATOM 730 N ILE A 69 -4.238 -1.735 -12.857 1.00 41.44 N ATOM 731 CA ILE A 69 -4.464 -3.081 -13.347 1.00 4.10 C ATOM 732 C ILE A 69 -4.401 -4.098 -12.218 1.00 22.51 C ATOM 733 O ILE A 69 -3.739 -3.876 -11.205 1.00 5.40 O ATOM 734 CB ILE A 69 -3.434 -3.464 -14.429 1.00 1.01 C ATOM 735 CG1 ILE A 69 -2.001 -3.281 -13.911 1.00 44.23 C ATOM 736 CG2 ILE A 69 -3.665 -2.645 -15.691 1.00 3.31 C ATOM 737 CD1 ILE A 69 -0.941 -3.779 -14.872 1.00 35.24 C ATOM 0 H ILE A 69 -3.386 -1.623 -12.307 1.00 41.44 H new ATOM 0 HA ILE A 69 -5.462 -3.094 -13.784 1.00 4.10 H new ATOM 0 HB ILE A 69 -3.567 -4.518 -14.673 1.00 1.01 H new ATOM 0 HG12 ILE A 69 -1.829 -2.224 -13.709 1.00 44.23 H new ATOM 0 HG13 ILE A 69 -1.896 -3.808 -12.963 1.00 44.23 H new ATOM 0 HG21 ILE A 69 -2.931 -2.926 -16.446 1.00 3.31 H new ATOM 0 HG22 ILE A 69 -4.668 -2.837 -16.071 1.00 3.31 H new ATOM 0 HG23 ILE A 69 -3.561 -1.585 -15.461 1.00 3.31 H new ATOM 0 HD11 ILE A 69 0.047 -3.617 -14.440 1.00 35.24 H new ATOM 0 HD12 ILE A 69 -1.087 -4.843 -15.055 1.00 35.24 H new ATOM 0 HD13 ILE A 69 -1.019 -3.235 -15.813 1.00 35.24 H new ATOM 749 N CYS A 70 -5.088 -5.215 -12.405 1.00 5.01 N ATOM 750 CA CYS A 70 -5.099 -6.281 -11.419 1.00 0.43 C ATOM 751 C CYS A 70 -4.104 -7.366 -11.812 1.00 2.02 C ATOM 752 O CYS A 70 -4.192 -7.937 -12.900 1.00 43.14 O ATOM 753 CB CYS A 70 -6.504 -6.867 -11.295 1.00 75.42 C ATOM 754 SG CYS A 70 -7.770 -5.650 -10.865 1.00 3.52 S ATOM 0 H CYS A 70 -5.648 -5.406 -13.236 1.00 5.01 H new ATOM 0 HA CYS A 70 -4.806 -5.872 -10.452 1.00 0.43 H new ATOM 0 HB2 CYS A 70 -6.774 -7.340 -12.239 1.00 75.42 H new ATOM 0 HB3 CYS A 70 -6.495 -7.650 -10.537 1.00 75.42 H new ATOM 0 HG CYS A 70 -8.927 -6.237 -10.784 1.00 3.52 H new ATOM 760 N LEU A 71 -3.173 -7.657 -10.914 1.00 51.43 N ATOM 761 CA LEU A 71 -2.093 -8.604 -11.187 1.00 73.23 C ATOM 762 C LEU A 71 -2.578 -10.049 -11.144 1.00 41.35 C ATOM 763 O LEU A 71 -1.799 -10.978 -11.345 1.00 44.12 O ATOM 764 CB LEU A 71 -0.950 -8.409 -10.186 1.00 53.01 C ATOM 765 CG LEU A 71 0.064 -7.311 -10.536 1.00 31.31 C ATOM 766 CD1 LEU A 71 0.681 -7.564 -11.902 1.00 52.03 C ATOM 767 CD2 LEU A 71 -0.588 -5.939 -10.495 1.00 74.14 C ATOM 0 H LEU A 71 -3.142 -7.248 -9.980 1.00 51.43 H new ATOM 0 HA LEU A 71 -1.732 -8.403 -12.196 1.00 73.23 H new ATOM 0 HB2 LEU A 71 -1.381 -8.182 -9.211 1.00 53.01 H new ATOM 0 HB3 LEU A 71 -0.415 -9.353 -10.086 1.00 53.01 H new ATOM 0 HG LEU A 71 0.857 -7.336 -9.789 1.00 31.31 H new ATOM 0 HD11 LEU A 71 1.397 -6.774 -12.130 1.00 52.03 H new ATOM 0 HD12 LEU A 71 1.192 -8.527 -11.898 1.00 52.03 H new ATOM 0 HD13 LEU A 71 -0.103 -7.573 -12.659 1.00 52.03 H new ATOM 0 HD21 LEU A 71 0.150 -5.178 -10.746 1.00 74.14 H new ATOM 0 HD22 LEU A 71 -1.406 -5.903 -11.215 1.00 74.14 H new ATOM 0 HD23 LEU A 71 -0.977 -5.751 -9.494 1.00 74.14 H new ATOM 779 N SER A 72 -3.863 -10.231 -10.887 1.00 0.35 N ATOM 780 CA SER A 72 -4.454 -11.557 -10.855 1.00 42.12 C ATOM 781 C SER A 72 -4.477 -12.169 -12.257 1.00 72.14 C ATOM 782 O SER A 72 -4.254 -13.367 -12.427 1.00 1.02 O ATOM 783 CB SER A 72 -5.870 -11.476 -10.288 1.00 2.43 C ATOM 784 OG SER A 72 -5.887 -10.729 -9.081 1.00 73.13 O ATOM 0 H SER A 72 -4.518 -9.473 -10.697 1.00 0.35 H new ATOM 0 HA SER A 72 -3.849 -12.197 -10.213 1.00 42.12 H new ATOM 0 HB2 SER A 72 -6.533 -11.011 -11.018 1.00 2.43 H new ATOM 0 HB3 SER A 72 -6.251 -12.481 -10.105 1.00 2.43 H new ATOM 0 HG SER A 72 -4.990 -10.726 -8.686 1.00 73.13 H new ATOM 790 N LYS A 73 -4.737 -11.334 -13.258 1.00 12.34 N ATOM 791 CA LYS A 73 -4.802 -11.792 -14.640 1.00 73.51 C ATOM 792 C LYS A 73 -3.731 -11.120 -15.493 1.00 63.14 C ATOM 793 O LYS A 73 -3.786 -11.165 -16.721 1.00 42.01 O ATOM 794 CB LYS A 73 -6.184 -11.500 -15.221 1.00 64.35 C ATOM 795 CG LYS A 73 -6.587 -10.039 -15.119 1.00 1.14 C ATOM 796 CD LYS A 73 -7.829 -9.870 -14.266 1.00 3.11 C ATOM 797 CE LYS A 73 -9.064 -10.447 -14.951 1.00 42.01 C ATOM 798 NZ LYS A 73 -9.374 -9.735 -16.222 1.00 51.52 N ATOM 0 H LYS A 73 -4.906 -10.335 -13.137 1.00 12.34 H new ATOM 0 HA LYS A 73 -4.622 -12.867 -14.650 1.00 73.51 H new ATOM 0 HB2 LYS A 73 -6.200 -11.801 -16.268 1.00 64.35 H new ATOM 0 HB3 LYS A 73 -6.924 -12.110 -14.703 1.00 64.35 H new ATOM 0 HG2 LYS A 73 -5.767 -9.462 -14.691 1.00 1.14 H new ATOM 0 HG3 LYS A 73 -6.771 -9.639 -16.116 1.00 1.14 H new ATOM 0 HD2 LYS A 73 -7.681 -10.363 -13.305 1.00 3.11 H new ATOM 0 HD3 LYS A 73 -7.988 -8.812 -14.060 1.00 3.11 H new ATOM 0 HE2 LYS A 73 -8.905 -11.505 -15.157 1.00 42.01 H new ATOM 0 HE3 LYS A 73 -9.919 -10.378 -14.278 1.00 42.01 H new ATOM 0 HZ1 LYS A 73 -10.351 -9.945 -16.508 1.00 51.52 H new ATOM 0 HZ2 LYS A 73 -9.268 -8.710 -16.081 1.00 51.52 H new ATOM 0 HZ3 LYS A 73 -8.720 -10.052 -16.966 1.00 51.52 H new ATOM 812 N ALA A 74 -2.759 -10.502 -14.842 1.00 0.10 N ATOM 813 CA ALA A 74 -1.705 -9.805 -15.556 1.00 34.32 C ATOM 814 C ALA A 74 -0.538 -10.738 -15.838 1.00 55.12 C ATOM 815 O ALA A 74 0.003 -11.369 -14.929 1.00 45.02 O ATOM 816 CB ALA A 74 -1.243 -8.591 -14.772 1.00 61.33 C ATOM 0 H ALA A 74 -2.679 -10.469 -13.826 1.00 0.10 H new ATOM 0 HA ALA A 74 -2.106 -9.464 -16.511 1.00 34.32 H new ATOM 0 HB1 ALA A 74 -0.453 -8.081 -15.323 1.00 61.33 H new ATOM 0 HB2 ALA A 74 -2.082 -7.910 -14.628 1.00 61.33 H new ATOM 0 HB3 ALA A 74 -0.862 -8.908 -13.801 1.00 61.33 H new ATOM 822 N VAL A 75 -0.163 -10.828 -17.101 1.00 72.21 N ATOM 823 CA VAL A 75 0.931 -11.686 -17.514 1.00 12.15 C ATOM 824 C VAL A 75 2.251 -10.928 -17.460 1.00 22.23 C ATOM 825 O VAL A 75 2.443 -9.933 -18.170 1.00 31.32 O ATOM 826 CB VAL A 75 0.719 -12.233 -18.942 1.00 4.04 C ATOM 827 CG1 VAL A 75 1.834 -13.200 -19.319 1.00 22.21 C ATOM 828 CG2 VAL A 75 -0.639 -12.911 -19.062 1.00 2.24 C ATOM 0 H VAL A 75 -0.604 -10.313 -17.863 1.00 72.21 H new ATOM 0 HA VAL A 75 0.960 -12.527 -16.822 1.00 12.15 H new ATOM 0 HB VAL A 75 0.745 -11.392 -19.635 1.00 4.04 H new ATOM 0 HG11 VAL A 75 1.665 -13.574 -20.329 1.00 22.21 H new ATOM 0 HG12 VAL A 75 2.793 -12.683 -19.279 1.00 22.21 H new ATOM 0 HG13 VAL A 75 1.843 -14.036 -18.620 1.00 22.21 H new ATOM 0 HG21 VAL A 75 -0.768 -13.289 -20.076 1.00 2.24 H new ATOM 0 HG22 VAL A 75 -0.696 -13.739 -18.356 1.00 2.24 H new ATOM 0 HG23 VAL A 75 -1.426 -12.190 -18.840 1.00 2.24 H new ATOM 838 N ILE A 76 3.145 -11.389 -16.601 1.00 41.52 N ATOM 839 CA ILE A 76 4.471 -10.806 -16.486 1.00 42.51 C ATOM 840 C ILE A 76 5.387 -11.383 -17.557 1.00 62.24 C ATOM 841 O ILE A 76 5.859 -12.512 -17.441 1.00 74.33 O ATOM 842 CB ILE A 76 5.093 -11.073 -15.101 1.00 53.52 C ATOM 843 CG1 ILE A 76 4.138 -10.633 -13.990 1.00 31.21 C ATOM 844 CG2 ILE A 76 6.429 -10.351 -14.971 1.00 0.50 C ATOM 845 CD1 ILE A 76 4.622 -10.996 -12.602 1.00 41.14 C ATOM 0 H ILE A 76 2.974 -12.171 -15.969 1.00 41.52 H new ATOM 0 HA ILE A 76 4.367 -9.729 -16.617 1.00 42.51 H new ATOM 0 HB ILE A 76 5.266 -12.144 -15.001 1.00 53.52 H new ATOM 0 HG12 ILE A 76 3.999 -9.553 -14.047 1.00 31.21 H new ATOM 0 HG13 ILE A 76 3.163 -11.090 -14.158 1.00 31.21 H new ATOM 0 HG21 ILE A 76 6.856 -10.549 -13.988 1.00 0.50 H new ATOM 0 HG22 ILE A 76 7.112 -10.708 -15.742 1.00 0.50 H new ATOM 0 HG23 ILE A 76 6.276 -9.278 -15.091 1.00 0.50 H new ATOM 0 HD11 ILE A 76 3.897 -10.655 -11.863 1.00 41.14 H new ATOM 0 HD12 ILE A 76 4.734 -12.078 -12.527 1.00 41.14 H new ATOM 0 HD13 ILE A 76 5.583 -10.518 -12.415 1.00 41.14 H new ATOM 857 N THR A 77 5.606 -10.623 -18.609 1.00 32.23 N ATOM 858 CA THR A 77 6.464 -11.053 -19.694 1.00 54.03 C ATOM 859 C THR A 77 7.820 -10.357 -19.605 1.00 43.54 C ATOM 860 O THR A 77 7.940 -9.174 -19.913 1.00 0.40 O ATOM 861 CB THR A 77 5.808 -10.745 -21.052 1.00 42.11 C ATOM 862 OG1 THR A 77 4.472 -11.265 -21.063 1.00 32.31 O ATOM 863 CG2 THR A 77 6.602 -11.353 -22.197 1.00 12.41 C ATOM 0 H THR A 77 5.198 -9.697 -18.737 1.00 32.23 H new ATOM 0 HA THR A 77 6.611 -12.130 -19.609 1.00 54.03 H new ATOM 0 HB THR A 77 5.789 -9.664 -21.188 1.00 42.11 H new ATOM 0 HG1 THR A 77 4.052 -11.069 -21.926 1.00 32.31 H new ATOM 0 HG21 THR A 77 6.114 -11.118 -23.143 1.00 12.41 H new ATOM 0 HG22 THR A 77 7.612 -10.942 -22.198 1.00 12.41 H new ATOM 0 HG23 THR A 77 6.650 -12.435 -22.072 1.00 12.41 H new ATOM 871 N PRO A 78 8.856 -11.073 -19.152 1.00 40.11 N ATOM 872 CA PRO A 78 10.196 -10.503 -19.004 1.00 21.41 C ATOM 873 C PRO A 78 10.793 -10.100 -20.349 1.00 73.45 C ATOM 874 O PRO A 78 10.589 -10.777 -21.358 1.00 62.23 O ATOM 875 CB PRO A 78 11.005 -11.638 -18.368 1.00 12.23 C ATOM 876 CG PRO A 78 10.259 -12.882 -18.705 1.00 53.54 C ATOM 877 CD PRO A 78 8.810 -12.492 -18.762 1.00 42.14 C ATOM 0 HA PRO A 78 10.192 -9.591 -18.407 1.00 21.41 H new ATOM 0 HB2 PRO A 78 12.020 -11.668 -18.763 1.00 12.23 H new ATOM 0 HB3 PRO A 78 11.087 -11.507 -17.289 1.00 12.23 H new ATOM 0 HG2 PRO A 78 10.591 -13.290 -19.660 1.00 53.54 H new ATOM 0 HG3 PRO A 78 10.426 -13.653 -17.953 1.00 53.54 H new ATOM 0 HD2 PRO A 78 8.261 -13.091 -19.488 1.00 42.14 H new ATOM 0 HD3 PRO A 78 8.318 -12.629 -17.799 1.00 42.14 H new ATOM 885 N HIS A 79 11.501 -8.981 -20.368 1.00 73.12 N ATOM 886 CA HIS A 79 12.185 -8.544 -21.573 1.00 32.11 C ATOM 887 C HIS A 79 13.462 -9.366 -21.738 1.00 21.35 C ATOM 888 O HIS A 79 14.087 -9.753 -20.751 1.00 15.34 O ATOM 889 CB HIS A 79 12.490 -7.044 -21.486 1.00 72.11 C ATOM 890 CG HIS A 79 12.750 -6.379 -22.807 1.00 33.43 C ATOM 891 ND1 HIS A 79 13.897 -6.210 -23.503 1.00 22.41 N flip ATOM 892 CD2 HIS A 79 11.767 -5.751 -23.541 1.00 24.53 C flip ATOM 893 CE1 HIS A 79 13.594 -5.486 -24.629 1.00 24.14 C flip ATOM 894 NE2 HIS A 79 12.302 -5.225 -24.628 1.00 22.40 N flip ATOM 0 H HIS A 79 11.616 -8.362 -19.566 1.00 73.12 H new ATOM 0 HA HIS A 79 11.552 -8.701 -22.446 1.00 32.11 H new ATOM 0 HB2 HIS A 79 11.651 -6.544 -21.002 1.00 72.11 H new ATOM 0 HB3 HIS A 79 13.360 -6.900 -20.845 1.00 72.11 H new ATOM 0 HD2 HIS A 79 10.723 -5.697 -23.270 1.00 24.53 H new ATOM 0 HE1 HIS A 79 14.297 -5.181 -25.390 1.00 24.14 H new ATOM 0 HE2 HIS A 79 11.799 -4.704 -25.347 1.00 22.40 H new ATOM 903 N ASP A 80 13.835 -9.651 -22.973 1.00 24.33 N ATOM 904 CA ASP A 80 14.970 -10.528 -23.238 1.00 15.41 C ATOM 905 C ASP A 80 16.274 -9.753 -23.168 1.00 13.01 C ATOM 906 O ASP A 80 17.190 -10.127 -22.434 1.00 71.11 O ATOM 907 CB ASP A 80 14.832 -11.201 -24.607 1.00 42.34 C ATOM 908 CG ASP A 80 13.579 -12.051 -24.718 1.00 4.53 C ATOM 909 OD1 ASP A 80 13.595 -13.215 -24.262 1.00 63.42 O ATOM 910 OD2 ASP A 80 12.573 -11.559 -25.275 1.00 63.22 O ATOM 0 H ASP A 80 13.373 -9.291 -23.808 1.00 24.33 H new ATOM 0 HA ASP A 80 14.981 -11.302 -22.471 1.00 15.41 H new ATOM 0 HB2 ASP A 80 14.817 -10.436 -25.383 1.00 42.34 H new ATOM 0 HB3 ASP A 80 15.707 -11.825 -24.791 1.00 42.34 H new ATOM 915 N PHE A 81 16.357 -8.674 -23.939 1.00 40.53 N ATOM 916 CA PHE A 81 17.526 -7.805 -23.918 1.00 11.44 C ATOM 917 C PHE A 81 17.723 -7.210 -22.525 1.00 42.25 C ATOM 918 O PHE A 81 18.845 -7.132 -22.019 1.00 14.33 O ATOM 919 CB PHE A 81 17.373 -6.694 -24.961 1.00 44.55 C ATOM 920 CG PHE A 81 18.574 -5.801 -25.085 1.00 40.03 C ATOM 921 CD1 PHE A 81 19.685 -6.212 -25.803 1.00 44.11 C ATOM 922 CD2 PHE A 81 18.589 -4.549 -24.491 1.00 43.01 C ATOM 923 CE1 PHE A 81 20.789 -5.393 -25.927 1.00 1.03 C ATOM 924 CE2 PHE A 81 19.691 -3.726 -24.610 1.00 2.20 C ATOM 925 CZ PHE A 81 20.792 -4.148 -25.330 1.00 12.12 C ATOM 0 H PHE A 81 15.626 -8.381 -24.587 1.00 40.53 H new ATOM 0 HA PHE A 81 18.408 -8.396 -24.165 1.00 11.44 H new ATOM 0 HB2 PHE A 81 17.168 -7.147 -25.931 1.00 44.55 H new ATOM 0 HB3 PHE A 81 16.506 -6.086 -24.704 1.00 44.55 H new ATOM 0 HD1 PHE A 81 19.687 -7.185 -26.271 1.00 44.11 H new ATOM 0 HD2 PHE A 81 17.730 -4.214 -23.929 1.00 43.01 H new ATOM 0 HE1 PHE A 81 21.649 -5.725 -26.490 1.00 1.03 H new ATOM 0 HE2 PHE A 81 19.692 -2.753 -24.141 1.00 2.20 H new ATOM 0 HZ PHE A 81 21.654 -3.505 -25.426 1.00 12.12 H new ATOM 935 N ASP A 82 16.622 -6.819 -21.898 1.00 34.52 N ATOM 936 CA ASP A 82 16.678 -6.243 -20.562 1.00 21.55 C ATOM 937 C ASP A 82 16.161 -7.229 -19.547 1.00 63.12 C ATOM 938 O ASP A 82 14.958 -7.448 -19.448 1.00 55.43 O ATOM 939 CB ASP A 82 15.833 -4.983 -20.436 1.00 14.40 C ATOM 940 CG ASP A 82 16.250 -3.870 -21.359 1.00 74.41 C ATOM 941 OD1 ASP A 82 17.320 -3.278 -21.134 1.00 3.01 O ATOM 942 OD2 ASP A 82 15.480 -3.559 -22.289 1.00 13.30 O ATOM 0 H ASP A 82 15.683 -6.890 -22.291 1.00 34.52 H new ATOM 0 HA ASP A 82 17.724 -5.995 -20.382 1.00 21.55 H new ATOM 0 HB2 ASP A 82 14.792 -5.235 -20.635 1.00 14.40 H new ATOM 0 HB3 ASP A 82 15.883 -4.626 -19.407 1.00 14.40 H new ATOM 947 N GLU A 83 17.060 -7.795 -18.775 1.00 61.43 N ATOM 948 CA GLU A 83 16.677 -8.748 -17.748 1.00 74.11 C ATOM 949 C GLU A 83 15.950 -8.038 -16.611 1.00 42.33 C ATOM 950 O GLU A 83 15.193 -8.652 -15.861 1.00 65.12 O ATOM 951 CB GLU A 83 17.908 -9.479 -17.221 1.00 53.01 C ATOM 952 CG GLU A 83 18.671 -10.225 -18.300 1.00 52.02 C ATOM 953 CD GLU A 83 19.829 -11.015 -17.741 1.00 65.21 C ATOM 954 OE1 GLU A 83 20.920 -10.436 -17.571 1.00 64.24 O ATOM 955 OE2 GLU A 83 19.650 -12.218 -17.461 1.00 34.53 O ATOM 0 H GLU A 83 18.062 -7.615 -18.835 1.00 61.43 H new ATOM 0 HA GLU A 83 16.000 -9.481 -18.186 1.00 74.11 H new ATOM 0 HB2 GLU A 83 18.574 -8.759 -16.747 1.00 53.01 H new ATOM 0 HB3 GLU A 83 17.600 -10.185 -16.449 1.00 53.01 H new ATOM 0 HG2 GLU A 83 17.992 -10.900 -18.821 1.00 52.02 H new ATOM 0 HG3 GLU A 83 19.042 -9.513 -19.038 1.00 52.02 H new ATOM 962 N CYS A 84 16.181 -6.740 -16.499 1.00 53.14 N ATOM 963 CA CYS A 84 15.557 -5.940 -15.459 1.00 63.23 C ATOM 964 C CYS A 84 14.191 -5.423 -15.904 1.00 60.24 C ATOM 965 O CYS A 84 13.418 -4.922 -15.089 1.00 21.43 O ATOM 966 CB CYS A 84 16.461 -4.763 -15.090 1.00 33.12 C ATOM 967 SG CYS A 84 18.116 -5.246 -14.545 1.00 0.01 S ATOM 0 H CYS A 84 16.799 -6.216 -17.119 1.00 53.14 H new ATOM 0 HA CYS A 84 15.413 -6.576 -14.585 1.00 63.23 H new ATOM 0 HB2 CYS A 84 16.552 -4.104 -15.954 1.00 33.12 H new ATOM 0 HB3 CYS A 84 15.983 -4.186 -14.298 1.00 33.12 H new ATOM 0 HG CYS A 84 18.806 -4.182 -14.258 1.00 0.01 H new ATOM 973 N ARG A 85 13.889 -5.545 -17.192 1.00 41.32 N ATOM 974 CA ARG A 85 12.645 -5.006 -17.721 1.00 0.40 C ATOM 975 C ARG A 85 11.572 -6.086 -17.765 1.00 4.25 C ATOM 976 O ARG A 85 11.836 -7.226 -18.150 1.00 53.11 O ATOM 977 CB ARG A 85 12.849 -4.415 -19.118 1.00 31.52 C ATOM 978 CG ARG A 85 11.681 -3.561 -19.582 1.00 71.24 C ATOM 979 CD ARG A 85 11.769 -3.205 -21.060 1.00 63.23 C ATOM 980 NE ARG A 85 13.024 -2.538 -21.422 1.00 14.10 N ATOM 981 CZ ARG A 85 13.143 -1.223 -21.622 1.00 43.01 C ATOM 982 NH1 ARG A 85 12.123 -0.407 -21.370 1.00 23.54 N ATOM 983 NH2 ARG A 85 14.295 -0.729 -22.059 1.00 0.12 N ATOM 0 H ARG A 85 14.482 -6.007 -17.881 1.00 41.32 H new ATOM 0 HA ARG A 85 12.318 -4.207 -17.055 1.00 0.40 H new ATOM 0 HB2 ARG A 85 13.756 -3.811 -19.121 1.00 31.52 H new ATOM 0 HB3 ARG A 85 13.003 -5.226 -19.830 1.00 31.52 H new ATOM 0 HG2 ARG A 85 10.749 -4.094 -19.395 1.00 71.24 H new ATOM 0 HG3 ARG A 85 11.648 -2.645 -18.992 1.00 71.24 H new ATOM 0 HD2 ARG A 85 11.665 -4.114 -21.652 1.00 63.23 H new ATOM 0 HD3 ARG A 85 10.933 -2.557 -21.321 1.00 63.23 H new ATOM 0 HE ARG A 85 13.859 -3.115 -21.528 1.00 14.10 H new ATOM 0 HH11 ARG A 85 11.242 -0.785 -21.021 1.00 23.54 H new ATOM 0 HH12 ARG A 85 12.222 0.596 -21.525 1.00 23.54 H new ATOM 0 HH21 ARG A 85 15.082 -1.353 -22.240 1.00 0.12 H new ATOM 0 HH22 ARG A 85 14.394 0.274 -22.214 1.00 0.12 H new ATOM 997 N PHE A 86 10.363 -5.715 -17.382 1.00 32.50 N ATOM 998 CA PHE A 86 9.255 -6.653 -17.309 1.00 2.31 C ATOM 999 C PHE A 86 8.001 -6.038 -17.918 1.00 61.54 C ATOM 1000 O PHE A 86 7.516 -5.004 -17.461 1.00 0.20 O ATOM 1001 CB PHE A 86 8.993 -7.064 -15.856 1.00 4.24 C ATOM 1002 CG PHE A 86 10.097 -7.885 -15.249 1.00 14.01 C ATOM 1003 CD1 PHE A 86 10.127 -9.259 -15.418 1.00 11.23 C ATOM 1004 CD2 PHE A 86 11.103 -7.283 -14.511 1.00 61.53 C ATOM 1005 CE1 PHE A 86 11.141 -10.018 -14.863 1.00 41.41 C ATOM 1006 CE2 PHE A 86 12.119 -8.036 -13.954 1.00 12.40 C ATOM 1007 CZ PHE A 86 12.137 -9.406 -14.130 1.00 14.10 C ATOM 0 H PHE A 86 10.122 -4.761 -17.114 1.00 32.50 H new ATOM 0 HA PHE A 86 9.520 -7.544 -17.878 1.00 2.31 H new ATOM 0 HB2 PHE A 86 8.848 -6.166 -15.255 1.00 4.24 H new ATOM 0 HB3 PHE A 86 8.064 -7.632 -15.811 1.00 4.24 H new ATOM 0 HD1 PHE A 86 9.349 -9.744 -15.990 1.00 11.23 H new ATOM 0 HD2 PHE A 86 11.093 -6.212 -14.369 1.00 61.53 H new ATOM 0 HE1 PHE A 86 11.153 -11.089 -15.003 1.00 41.41 H new ATOM 0 HE2 PHE A 86 12.898 -7.554 -13.382 1.00 12.40 H new ATOM 0 HZ PHE A 86 12.929 -9.997 -13.695 1.00 14.10 H new ATOM 1017 N ASP A 87 7.499 -6.678 -18.957 1.00 34.11 N ATOM 1018 CA ASP A 87 6.319 -6.212 -19.665 1.00 11.02 C ATOM 1019 C ASP A 87 5.072 -6.811 -19.036 1.00 12.53 C ATOM 1020 O ASP A 87 4.903 -8.027 -18.996 1.00 25.51 O ATOM 1021 CB ASP A 87 6.416 -6.615 -21.130 1.00 1.00 C ATOM 1022 CG ASP A 87 5.283 -6.095 -21.982 1.00 64.45 C ATOM 1023 OD1 ASP A 87 4.238 -6.774 -22.078 1.00 44.44 O ATOM 1024 OD2 ASP A 87 5.459 -5.029 -22.604 1.00 34.21 O ATOM 0 H ASP A 87 7.898 -7.537 -19.335 1.00 34.11 H new ATOM 0 HA ASP A 87 6.258 -5.126 -19.597 1.00 11.02 H new ATOM 0 HB2 ASP A 87 7.360 -6.251 -21.536 1.00 1.00 H new ATOM 0 HB3 ASP A 87 6.439 -7.703 -21.197 1.00 1.00 H new ATOM 1029 N ILE A 88 4.218 -5.955 -18.530 1.00 14.24 N ATOM 1030 CA ILE A 88 3.023 -6.393 -17.822 1.00 1.42 C ATOM 1031 C ILE A 88 1.799 -6.251 -18.709 1.00 52.33 C ATOM 1032 O ILE A 88 1.314 -5.146 -18.930 1.00 22.21 O ATOM 1033 CB ILE A 88 2.781 -5.580 -16.532 1.00 4.10 C ATOM 1034 CG1 ILE A 88 4.055 -5.510 -15.683 1.00 54.13 C ATOM 1035 CG2 ILE A 88 1.633 -6.194 -15.741 1.00 33.24 C ATOM 1036 CD1 ILE A 88 4.663 -6.862 -15.401 1.00 21.24 C ATOM 0 H ILE A 88 4.323 -4.942 -18.592 1.00 14.24 H new ATOM 0 HA ILE A 88 3.185 -7.438 -17.556 1.00 1.42 H new ATOM 0 HB ILE A 88 2.511 -4.560 -16.806 1.00 4.10 H new ATOM 0 HG12 ILE A 88 4.790 -4.889 -16.195 1.00 54.13 H new ATOM 0 HG13 ILE A 88 3.826 -5.019 -14.737 1.00 54.13 H new ATOM 0 HG21 ILE A 88 1.467 -5.616 -14.832 1.00 33.24 H new ATOM 0 HG22 ILE A 88 0.727 -6.184 -16.347 1.00 33.24 H new ATOM 0 HG23 ILE A 88 1.882 -7.222 -15.477 1.00 33.24 H new ATOM 0 HD11 ILE A 88 5.561 -6.738 -14.796 1.00 21.24 H new ATOM 0 HD12 ILE A 88 3.944 -7.479 -14.862 1.00 21.24 H new ATOM 0 HD13 ILE A 88 4.923 -7.347 -16.342 1.00 21.24 H new ATOM 1048 N SER A 89 1.294 -7.356 -19.213 1.00 2.31 N ATOM 1049 CA SER A 89 0.153 -7.302 -20.103 1.00 44.53 C ATOM 1050 C SER A 89 -1.094 -7.870 -19.431 1.00 74.11 C ATOM 1051 O SER A 89 -1.088 -8.984 -18.908 1.00 40.34 O ATOM 1052 CB SER A 89 0.479 -8.034 -21.401 1.00 20.40 C ATOM 1053 OG SER A 89 0.980 -9.336 -21.150 1.00 33.55 O ATOM 0 H SER A 89 1.650 -8.293 -19.025 1.00 2.31 H new ATOM 0 HA SER A 89 -0.063 -6.261 -20.342 1.00 44.53 H new ATOM 0 HB2 SER A 89 -0.417 -8.100 -22.018 1.00 20.40 H new ATOM 0 HB3 SER A 89 1.214 -7.463 -21.968 1.00 20.40 H new ATOM 0 HG SER A 89 1.178 -9.780 -22.001 1.00 33.55 H new ATOM 1059 N VAL A 90 -2.158 -7.079 -19.429 1.00 51.13 N ATOM 1060 CA VAL A 90 -3.397 -7.456 -18.766 1.00 2.12 C ATOM 1061 C VAL A 90 -4.606 -6.882 -19.511 1.00 43.02 C ATOM 1062 O VAL A 90 -4.770 -5.662 -19.607 1.00 72.43 O ATOM 1063 CB VAL A 90 -3.389 -6.979 -17.296 1.00 4.33 C ATOM 1064 CG1 VAL A 90 -3.101 -5.494 -17.213 1.00 23.43 C ATOM 1065 CG2 VAL A 90 -4.694 -7.313 -16.594 1.00 65.31 C ATOM 0 H VAL A 90 -2.187 -6.166 -19.883 1.00 51.13 H new ATOM 0 HA VAL A 90 -3.475 -8.543 -18.776 1.00 2.12 H new ATOM 0 HB VAL A 90 -2.591 -7.514 -16.782 1.00 4.33 H new ATOM 0 HG11 VAL A 90 -3.100 -5.181 -16.169 1.00 23.43 H new ATOM 0 HG12 VAL A 90 -2.126 -5.287 -17.654 1.00 23.43 H new ATOM 0 HG13 VAL A 90 -3.869 -4.943 -17.756 1.00 23.43 H new ATOM 0 HG21 VAL A 90 -4.652 -6.963 -15.563 1.00 65.31 H new ATOM 0 HG22 VAL A 90 -5.520 -6.824 -17.110 1.00 65.31 H new ATOM 0 HG23 VAL A 90 -4.847 -8.392 -16.605 1.00 65.31 H new ATOM 1075 N ASN A 91 -5.440 -7.779 -20.036 1.00 44.31 N ATOM 1076 CA ASN A 91 -6.600 -7.418 -20.871 1.00 24.51 C ATOM 1077 C ASN A 91 -6.152 -6.740 -22.161 1.00 31.10 C ATOM 1078 O ASN A 91 -6.141 -7.344 -23.233 1.00 0.23 O ATOM 1079 CB ASN A 91 -7.580 -6.477 -20.147 1.00 21.14 C ATOM 1080 CG ASN A 91 -8.166 -7.051 -18.874 1.00 51.33 C ATOM 1081 OD1 ASN A 91 -7.593 -6.678 -17.743 1.00 61.12 O flip ATOM 1082 ND2 ASN A 91 -9.147 -7.793 -18.905 1.00 5.50 N flip ATOM 0 H ASN A 91 -5.335 -8.784 -19.897 1.00 44.31 H new ATOM 0 HA ASN A 91 -7.113 -8.354 -21.091 1.00 24.51 H new ATOM 0 HB2 ASN A 91 -7.064 -5.547 -19.909 1.00 21.14 H new ATOM 0 HB3 ASN A 91 -8.394 -6.225 -20.827 1.00 21.14 H new ATOM 0 HD21 ASN A 91 -9.559 -8.057 -19.800 1.00 5.50 H new ATOM 0 HD22 ASN A 91 -9.548 -8.144 -18.036 1.00 5.50 H new ATOM 1089 N ASP A 92 -5.766 -5.483 -22.025 1.00 25.31 N ATOM 1090 CA ASP A 92 -5.363 -4.649 -23.146 1.00 24.20 C ATOM 1091 C ASP A 92 -4.118 -3.853 -22.778 1.00 0.30 C ATOM 1092 O ASP A 92 -3.290 -3.533 -23.633 1.00 72.25 O ATOM 1093 CB ASP A 92 -6.504 -3.690 -23.506 1.00 25.40 C ATOM 1094 CG ASP A 92 -6.113 -2.648 -24.536 1.00 32.33 C ATOM 1095 OD1 ASP A 92 -5.595 -1.580 -24.142 1.00 53.25 O ATOM 1096 OD2 ASP A 92 -6.352 -2.879 -25.741 1.00 1.20 O ATOM 0 H ASP A 92 -5.723 -5.007 -21.124 1.00 25.31 H new ATOM 0 HA ASP A 92 -5.138 -5.283 -24.004 1.00 24.20 H new ATOM 0 HB2 ASP A 92 -7.347 -4.267 -23.886 1.00 25.40 H new ATOM 0 HB3 ASP A 92 -6.844 -3.186 -22.601 1.00 25.40 H new ATOM 1101 N SER A 93 -3.976 -3.577 -21.488 1.00 12.54 N ATOM 1102 CA SER A 93 -2.933 -2.699 -20.998 1.00 35.43 C ATOM 1103 C SER A 93 -1.586 -3.399 -21.010 1.00 24.35 C ATOM 1104 O SER A 93 -1.473 -4.556 -20.601 1.00 42.11 O ATOM 1105 CB SER A 93 -3.269 -2.246 -19.582 1.00 0.30 C ATOM 1106 OG SER A 93 -4.556 -1.651 -19.530 1.00 2.02 O ATOM 0 H SER A 93 -4.580 -3.956 -20.759 1.00 12.54 H new ATOM 0 HA SER A 93 -2.873 -1.831 -21.655 1.00 35.43 H new ATOM 0 HB2 SER A 93 -3.231 -3.099 -18.905 1.00 0.30 H new ATOM 0 HB3 SER A 93 -2.520 -1.533 -19.237 1.00 0.30 H new ATOM 0 HG SER A 93 -4.750 -1.370 -18.611 1.00 2.02 H new ATOM 1112 N VAL A 94 -0.579 -2.691 -21.492 1.00 32.55 N ATOM 1113 CA VAL A 94 0.774 -3.209 -21.543 1.00 64.24 C ATOM 1114 C VAL A 94 1.713 -2.271 -20.800 1.00 52.11 C ATOM 1115 O VAL A 94 1.877 -1.109 -21.174 1.00 52.02 O ATOM 1116 CB VAL A 94 1.252 -3.374 -23.000 1.00 52.43 C ATOM 1117 CG1 VAL A 94 2.675 -3.898 -23.045 1.00 44.44 C ATOM 1118 CG2 VAL A 94 0.321 -4.296 -23.771 1.00 44.43 C ATOM 0 H VAL A 94 -0.677 -1.744 -21.858 1.00 32.55 H new ATOM 0 HA VAL A 94 0.781 -4.189 -21.067 1.00 64.24 H new ATOM 0 HB VAL A 94 1.234 -2.393 -23.474 1.00 52.43 H new ATOM 0 HG11 VAL A 94 2.990 -4.006 -24.083 1.00 44.44 H new ATOM 0 HG12 VAL A 94 3.337 -3.197 -22.536 1.00 44.44 H new ATOM 0 HG13 VAL A 94 2.722 -4.867 -22.549 1.00 44.44 H new ATOM 0 HG21 VAL A 94 0.677 -4.398 -24.796 1.00 44.43 H new ATOM 0 HG22 VAL A 94 0.302 -5.276 -23.294 1.00 44.43 H new ATOM 0 HG23 VAL A 94 -0.685 -3.876 -23.776 1.00 44.43 H new ATOM 1128 N TRP A 95 2.316 -2.777 -19.740 1.00 51.45 N ATOM 1129 CA TRP A 95 3.160 -1.961 -18.886 1.00 12.00 C ATOM 1130 C TRP A 95 4.618 -2.354 -19.040 1.00 61.22 C ATOM 1131 O TRP A 95 5.054 -3.365 -18.499 1.00 60.41 O ATOM 1132 CB TRP A 95 2.744 -2.107 -17.420 1.00 72.43 C ATOM 1133 CG TRP A 95 1.406 -1.508 -17.096 1.00 51.23 C ATOM 1134 CD1 TRP A 95 0.210 -1.771 -17.703 1.00 32.42 C ATOM 1135 CD2 TRP A 95 1.127 -0.557 -16.063 1.00 63.23 C ATOM 1136 NE1 TRP A 95 -0.788 -1.032 -17.117 1.00 72.44 N ATOM 1137 CE2 TRP A 95 -0.252 -0.285 -16.106 1.00 3.54 C ATOM 1138 CE3 TRP A 95 1.910 0.092 -15.105 1.00 1.34 C ATOM 1139 CZ2 TRP A 95 -0.865 0.605 -15.230 1.00 23.13 C ATOM 1140 CZ3 TRP A 95 1.300 0.975 -14.235 1.00 45.35 C ATOM 1141 CH2 TRP A 95 -0.076 1.222 -14.303 1.00 51.02 C ATOM 0 H TRP A 95 2.237 -3.751 -19.449 1.00 51.45 H new ATOM 0 HA TRP A 95 3.038 -0.921 -19.190 1.00 12.00 H new ATOM 0 HB2 TRP A 95 2.727 -3.166 -17.163 1.00 72.43 H new ATOM 0 HB3 TRP A 95 3.501 -1.638 -16.791 1.00 72.43 H new ATOM 0 HD1 TRP A 95 0.070 -2.459 -18.523 1.00 32.42 H new ATOM 0 HE1 TRP A 95 -1.770 -1.039 -17.392 1.00 72.44 H new ATOM 0 HE3 TRP A 95 2.972 -0.093 -15.046 1.00 1.34 H new ATOM 0 HZ2 TRP A 95 -1.926 0.800 -15.282 1.00 23.13 H new ATOM 0 HZ3 TRP A 95 1.895 1.483 -13.490 1.00 45.35 H new ATOM 0 HH2 TRP A 95 -0.523 1.916 -13.607 1.00 51.02 H new ATOM 1152 N TYR A 96 5.366 -1.563 -19.792 1.00 55.04 N ATOM 1153 CA TYR A 96 6.795 -1.796 -19.936 1.00 12.23 C ATOM 1154 C TYR A 96 7.510 -1.333 -18.672 1.00 64.32 C ATOM 1155 O TYR A 96 8.056 -0.231 -18.624 1.00 12.43 O ATOM 1156 CB TYR A 96 7.358 -1.051 -21.151 1.00 51.51 C ATOM 1157 CG TYR A 96 6.584 -1.267 -22.435 1.00 24.54 C ATOM 1158 CD1 TYR A 96 5.496 -0.464 -22.749 1.00 21.40 C ATOM 1159 CD2 TYR A 96 6.951 -2.257 -23.339 1.00 74.34 C ATOM 1160 CE1 TYR A 96 4.793 -0.640 -23.923 1.00 51.04 C ATOM 1161 CE2 TYR A 96 6.248 -2.440 -24.518 1.00 22.12 C ATOM 1162 CZ TYR A 96 5.170 -1.628 -24.803 1.00 23.12 C ATOM 1163 OH TYR A 96 4.471 -1.797 -25.977 1.00 3.20 O ATOM 0 H TYR A 96 5.011 -0.759 -20.309 1.00 55.04 H new ATOM 0 HA TYR A 96 6.959 -2.863 -20.088 1.00 12.23 H new ATOM 0 HB2 TYR A 96 7.379 0.016 -20.929 1.00 51.51 H new ATOM 0 HB3 TYR A 96 8.390 -1.364 -21.307 1.00 51.51 H new ATOM 0 HD1 TYR A 96 5.194 0.313 -22.062 1.00 21.40 H new ATOM 0 HD2 TYR A 96 7.796 -2.892 -23.119 1.00 74.34 H new ATOM 0 HE1 TYR A 96 3.950 -0.005 -24.150 1.00 51.04 H new ATOM 0 HE2 TYR A 96 6.542 -3.215 -25.211 1.00 22.12 H new ATOM 0 HH TYR A 96 4.864 -2.535 -26.488 1.00 3.20 H new ATOM 1173 N LEU A 97 7.476 -2.165 -17.645 1.00 0.40 N ATOM 1174 CA LEU A 97 7.999 -1.800 -16.341 1.00 1.00 C ATOM 1175 C LEU A 97 9.443 -2.264 -16.218 1.00 25.33 C ATOM 1176 O LEU A 97 9.932 -3.009 -17.066 1.00 42.34 O ATOM 1177 CB LEU A 97 7.130 -2.430 -15.248 1.00 44.14 C ATOM 1178 CG LEU A 97 7.396 -1.946 -13.822 1.00 12.42 C ATOM 1179 CD1 LEU A 97 7.179 -0.444 -13.713 1.00 32.51 C ATOM 1180 CD2 LEU A 97 6.500 -2.683 -12.840 1.00 54.02 C ATOM 0 H LEU A 97 7.087 -3.107 -17.691 1.00 0.40 H new ATOM 0 HA LEU A 97 7.975 -0.717 -16.225 1.00 1.00 H new ATOM 0 HB2 LEU A 97 6.084 -2.238 -15.487 1.00 44.14 H new ATOM 0 HB3 LEU A 97 7.271 -3.510 -15.277 1.00 44.14 H new ATOM 0 HG LEU A 97 8.436 -2.159 -13.575 1.00 12.42 H new ATOM 0 HD11 LEU A 97 7.374 -0.122 -12.690 1.00 32.51 H new ATOM 0 HD12 LEU A 97 7.858 0.072 -14.392 1.00 32.51 H new ATOM 0 HD13 LEU A 97 6.149 -0.205 -13.979 1.00 32.51 H new ATOM 0 HD21 LEU A 97 6.700 -2.329 -11.829 1.00 54.02 H new ATOM 0 HD22 LEU A 97 5.456 -2.497 -13.090 1.00 54.02 H new ATOM 0 HD23 LEU A 97 6.701 -3.753 -12.896 1.00 54.02 H new ATOM 1192 N ARG A 98 10.132 -1.825 -15.179 1.00 21.10 N ATOM 1193 CA ARG A 98 11.521 -2.204 -14.996 1.00 55.25 C ATOM 1194 C ARG A 98 11.891 -2.172 -13.523 1.00 43.24 C ATOM 1195 O ARG A 98 11.417 -1.321 -12.767 1.00 54.54 O ATOM 1196 CB ARG A 98 12.446 -1.268 -15.783 1.00 11.32 C ATOM 1197 CG ARG A 98 13.735 -1.937 -16.231 1.00 52.44 C ATOM 1198 CD ARG A 98 14.764 -0.930 -16.721 1.00 3.50 C ATOM 1199 NE ARG A 98 15.342 -0.160 -15.622 1.00 42.43 N ATOM 1200 CZ ARG A 98 16.652 0.040 -15.464 1.00 33.15 C ATOM 1201 NH1 ARG A 98 17.517 -0.502 -16.317 1.00 1.20 N ATOM 1202 NH2 ARG A 98 17.096 0.775 -14.448 1.00 32.23 N ATOM 0 H ARG A 98 9.756 -1.212 -14.456 1.00 21.10 H new ATOM 0 HA ARG A 98 11.646 -3.219 -15.372 1.00 55.25 H new ATOM 0 HB2 ARG A 98 11.915 -0.895 -16.659 1.00 11.32 H new ATOM 0 HB3 ARG A 98 12.689 -0.404 -15.165 1.00 11.32 H new ATOM 0 HG2 ARG A 98 14.154 -2.508 -15.402 1.00 52.44 H new ATOM 0 HG3 ARG A 98 13.516 -2.647 -17.028 1.00 52.44 H new ATOM 0 HD2 ARG A 98 15.558 -1.453 -17.254 1.00 3.50 H new ATOM 0 HD3 ARG A 98 14.296 -0.250 -17.433 1.00 3.50 H new ATOM 0 HE ARG A 98 14.707 0.248 -14.936 1.00 42.43 H new ATOM 0 HH11 ARG A 98 17.179 -1.071 -17.093 1.00 1.20 H new ATOM 0 HH12 ARG A 98 18.518 -0.348 -16.195 1.00 1.20 H new ATOM 0 HH21 ARG A 98 16.435 1.186 -13.789 1.00 32.23 H new ATOM 0 HH22 ARG A 98 18.097 0.927 -14.328 1.00 32.23 H new ATOM 1216 N ALA A 99 12.730 -3.112 -13.121 1.00 61.51 N ATOM 1217 CA ALA A 99 13.240 -3.148 -11.767 1.00 45.52 C ATOM 1218 C ALA A 99 14.331 -2.104 -11.591 1.00 22.12 C ATOM 1219 O ALA A 99 14.788 -1.500 -12.564 1.00 14.33 O ATOM 1220 CB ALA A 99 13.770 -4.533 -11.434 1.00 1.21 C ATOM 0 H ALA A 99 13.072 -3.863 -13.720 1.00 61.51 H new ATOM 0 HA ALA A 99 12.424 -2.920 -11.081 1.00 45.52 H new ATOM 0 HB1 ALA A 99 14.149 -4.541 -10.412 1.00 1.21 H new ATOM 0 HB2 ALA A 99 12.966 -5.263 -11.529 1.00 1.21 H new ATOM 0 HB3 ALA A 99 14.575 -4.790 -12.122 1.00 1.21 H new ATOM 1226 N GLN A 100 14.744 -1.896 -10.354 1.00 34.22 N ATOM 1227 CA GLN A 100 15.758 -0.901 -10.049 1.00 73.52 C ATOM 1228 C GLN A 100 17.119 -1.561 -9.846 1.00 43.21 C ATOM 1229 O GLN A 100 18.161 -0.930 -10.020 1.00 22.11 O ATOM 1230 CB GLN A 100 15.341 -0.106 -8.810 1.00 12.44 C ATOM 1231 CG GLN A 100 15.155 -0.957 -7.563 1.00 63.53 C ATOM 1232 CD GLN A 100 14.425 -0.216 -6.461 1.00 41.45 C ATOM 1233 OE1 GLN A 100 15.037 0.494 -5.665 1.00 13.14 O ATOM 1234 NE2 GLN A 100 13.114 -0.396 -6.392 1.00 33.43 N ATOM 0 H GLN A 100 14.392 -2.404 -9.542 1.00 34.22 H new ATOM 0 HA GLN A 100 15.848 -0.215 -10.891 1.00 73.52 H new ATOM 0 HB2 GLN A 100 16.095 0.655 -8.609 1.00 12.44 H new ATOM 0 HB3 GLN A 100 14.409 0.417 -9.023 1.00 12.44 H new ATOM 0 HG2 GLN A 100 14.599 -1.858 -7.821 1.00 63.53 H new ATOM 0 HG3 GLN A 100 16.130 -1.278 -7.197 1.00 63.53 H new ATOM 0 HE21 GLN A 100 12.645 -0.993 -7.073 1.00 33.43 H new ATOM 0 HE22 GLN A 100 12.574 0.063 -5.658 1.00 33.43 H new ATOM 1299 N ARG A 105 14.940 -8.108 -8.584 1.00 60.31 N ATOM 1300 CA ARG A 105 13.857 -7.858 -9.528 1.00 62.54 C ATOM 1301 C ARG A 105 12.601 -8.513 -8.978 1.00 54.13 C ATOM 1302 O ARG A 105 11.463 -8.172 -9.338 1.00 3.02 O ATOM 1303 CB ARG A 105 14.213 -8.434 -10.901 1.00 54.44 C ATOM 1304 CG ARG A 105 15.352 -7.700 -11.587 1.00 43.22 C ATOM 1305 CD ARG A 105 15.853 -8.450 -12.807 1.00 24.40 C ATOM 1306 NE ARG A 105 16.648 -9.622 -12.440 1.00 32.20 N ATOM 1307 CZ ARG A 105 16.883 -10.647 -13.256 1.00 12.32 C ATOM 1308 NH1 ARG A 105 16.337 -10.683 -14.463 1.00 1.42 N ATOM 1309 NH2 ARG A 105 17.659 -11.643 -12.857 1.00 13.34 N ATOM 0 HA ARG A 105 13.694 -6.787 -9.651 1.00 62.54 H new ATOM 0 HB2 ARG A 105 14.484 -9.484 -10.787 1.00 54.44 H new ATOM 0 HB3 ARG A 105 13.331 -8.400 -11.541 1.00 54.44 H new ATOM 0 HG2 ARG A 105 15.017 -6.706 -11.884 1.00 43.22 H new ATOM 0 HG3 ARG A 105 16.172 -7.563 -10.883 1.00 43.22 H new ATOM 0 HD2 ARG A 105 15.004 -8.763 -13.414 1.00 24.40 H new ATOM 0 HD3 ARG A 105 16.455 -7.781 -13.422 1.00 24.40 H new ATOM 0 HE ARG A 105 17.046 -9.656 -11.502 1.00 32.20 H new ATOM 0 HH11 ARG A 105 15.732 -9.922 -14.772 1.00 1.42 H new ATOM 0 HH12 ARG A 105 16.522 -11.472 -15.083 1.00 1.42 H new ATOM 0 HH21 ARG A 105 18.075 -11.624 -11.926 1.00 13.34 H new ATOM 0 HH22 ARG A 105 17.840 -12.429 -13.481 1.00 13.34 H new ATOM 1323 N GLN A 106 12.852 -9.433 -8.046 1.00 14.40 N ATOM 1324 CA GLN A 106 11.819 -10.151 -7.316 1.00 1.32 C ATOM 1325 C GLN A 106 10.868 -9.205 -6.587 1.00 40.43 C ATOM 1326 O GLN A 106 9.936 -9.658 -5.939 1.00 53.03 O ATOM 1327 CB GLN A 106 12.461 -11.095 -6.302 1.00 32.20 C ATOM 1328 CG GLN A 106 13.295 -10.369 -5.260 1.00 0.23 C ATOM 1329 CD GLN A 106 13.768 -11.281 -4.149 1.00 75.41 C ATOM 1330 OE1 GLN A 106 13.997 -12.469 -4.359 1.00 55.13 O ATOM 1331 NE2 GLN A 106 13.910 -10.732 -2.955 1.00 22.22 N ATOM 0 H GLN A 106 13.798 -9.701 -7.776 1.00 14.40 H new ATOM 0 HA GLN A 106 11.239 -10.716 -8.046 1.00 1.32 H new ATOM 0 HB2 GLN A 106 11.680 -11.666 -5.800 1.00 32.20 H new ATOM 0 HB3 GLN A 106 13.091 -11.811 -6.829 1.00 32.20 H new ATOM 0 HG2 GLN A 106 14.160 -9.916 -5.745 1.00 0.23 H new ATOM 0 HG3 GLN A 106 12.707 -9.557 -4.832 1.00 0.23 H new ATOM 0 HE21 GLN A 106 13.709 -9.741 -2.822 1.00 22.22 H new ATOM 0 HE22 GLN A 106 14.220 -11.300 -2.166 1.00 22.22 H new ATOM 1340 N GLN A 107 11.136 -7.901 -6.656 1.00 20.11 N ATOM 1341 CA GLN A 107 10.166 -6.902 -6.228 1.00 73.14 C ATOM 1342 C GLN A 107 8.805 -7.273 -6.792 1.00 4.03 C ATOM 1343 O GLN A 107 7.831 -7.443 -6.055 1.00 32.53 O ATOM 1344 CB GLN A 107 10.559 -5.503 -6.733 1.00 72.23 C ATOM 1345 CG GLN A 107 11.854 -4.967 -6.150 1.00 20.22 C ATOM 1346 CD GLN A 107 11.703 -4.492 -4.719 1.00 71.31 C ATOM 1347 OE1 GLN A 107 11.407 -3.322 -4.472 1.00 33.45 O ATOM 1348 NE2 GLN A 107 11.894 -5.390 -3.768 1.00 41.24 N ATOM 0 H GLN A 107 12.014 -7.516 -7.003 1.00 20.11 H new ATOM 0 HA GLN A 107 10.138 -6.879 -5.139 1.00 73.14 H new ATOM 0 HB2 GLN A 107 10.649 -5.534 -7.819 1.00 72.23 H new ATOM 0 HB3 GLN A 107 9.754 -4.806 -6.500 1.00 72.23 H new ATOM 0 HG2 GLN A 107 12.615 -5.746 -6.191 1.00 20.22 H new ATOM 0 HG3 GLN A 107 12.210 -4.141 -6.766 1.00 20.22 H new ATOM 0 HE21 GLN A 107 12.138 -6.349 -4.014 1.00 41.24 H new ATOM 0 HE22 GLN A 107 11.797 -5.124 -2.788 1.00 41.24 H new ATOM 1357 N TRP A 108 8.778 -7.483 -8.103 1.00 62.11 N ATOM 1358 CA TRP A 108 7.536 -7.764 -8.802 1.00 22.44 C ATOM 1359 C TRP A 108 7.049 -9.157 -8.452 1.00 12.53 C ATOM 1360 O TRP A 108 5.906 -9.343 -8.049 1.00 24.33 O ATOM 1361 CB TRP A 108 7.739 -7.642 -10.315 1.00 31.20 C ATOM 1362 CG TRP A 108 8.551 -6.442 -10.694 1.00 72.24 C ATOM 1363 CD1 TRP A 108 9.636 -6.413 -11.520 1.00 2.23 C ATOM 1364 CD2 TRP A 108 8.358 -5.103 -10.236 1.00 11.04 C ATOM 1365 NE1 TRP A 108 10.133 -5.135 -11.600 1.00 41.55 N ATOM 1366 CE2 TRP A 108 9.363 -4.313 -10.820 1.00 14.30 C ATOM 1367 CE3 TRP A 108 7.428 -4.496 -9.386 1.00 23.10 C ATOM 1368 CZ2 TRP A 108 9.465 -2.946 -10.580 1.00 0.04 C ATOM 1369 CZ3 TRP A 108 7.531 -3.142 -9.151 1.00 34.52 C ATOM 1370 CH2 TRP A 108 8.544 -2.382 -9.745 1.00 15.35 C ATOM 0 H TRP A 108 9.604 -7.463 -8.701 1.00 62.11 H new ATOM 0 HA TRP A 108 6.785 -7.037 -8.491 1.00 22.44 H new ATOM 0 HB2 TRP A 108 8.232 -8.541 -10.685 1.00 31.20 H new ATOM 0 HB3 TRP A 108 6.767 -7.587 -10.805 1.00 31.20 H new ATOM 0 HD1 TRP A 108 10.045 -7.270 -12.036 1.00 2.23 H new ATOM 0 HE1 TRP A 108 10.942 -4.846 -12.150 1.00 41.55 H new ATOM 0 HE3 TRP A 108 6.644 -5.077 -8.923 1.00 23.10 H new ATOM 0 HZ2 TRP A 108 10.244 -2.354 -11.037 1.00 0.04 H new ATOM 0 HZ3 TRP A 108 6.818 -2.660 -8.498 1.00 34.52 H new ATOM 0 HH2 TRP A 108 8.599 -1.323 -9.538 1.00 15.35 H new ATOM 1381 N ILE A 109 7.945 -10.123 -8.575 1.00 20.31 N ATOM 1382 CA ILE A 109 7.609 -11.519 -8.343 1.00 40.25 C ATOM 1383 C ILE A 109 7.041 -11.717 -6.939 1.00 40.14 C ATOM 1384 O ILE A 109 5.914 -12.172 -6.775 1.00 22.15 O ATOM 1385 CB ILE A 109 8.846 -12.430 -8.508 1.00 61.11 C ATOM 1386 CG1 ILE A 109 9.646 -12.048 -9.761 1.00 34.53 C ATOM 1387 CG2 ILE A 109 8.425 -13.892 -8.567 1.00 5.11 C ATOM 1388 CD1 ILE A 109 8.863 -12.144 -11.053 1.00 61.43 C ATOM 0 H ILE A 109 8.918 -9.964 -8.836 1.00 20.31 H new ATOM 0 HA ILE A 109 6.859 -11.792 -9.085 1.00 40.25 H new ATOM 0 HB ILE A 109 9.491 -12.289 -7.640 1.00 61.11 H new ATOM 0 HG12 ILE A 109 10.013 -11.028 -9.647 1.00 34.53 H new ATOM 0 HG13 ILE A 109 10.520 -12.695 -9.831 1.00 34.53 H new ATOM 0 HG21 ILE A 109 9.308 -14.520 -8.683 1.00 5.11 H new ATOM 0 HG22 ILE A 109 7.908 -14.159 -7.645 1.00 5.11 H new ATOM 0 HG23 ILE A 109 7.757 -14.044 -9.415 1.00 5.11 H new ATOM 0 HD11 ILE A 109 9.502 -11.857 -11.888 1.00 61.43 H new ATOM 0 HD12 ILE A 109 8.519 -13.169 -11.195 1.00 61.43 H new ATOM 0 HD13 ILE A 109 8.003 -11.476 -11.008 1.00 61.43 H new ATOM 1400 N ASP A 110 7.827 -11.340 -5.940 1.00 3.33 N ATOM 1401 CA ASP A 110 7.464 -11.535 -4.542 1.00 64.51 C ATOM 1402 C ASP A 110 6.219 -10.741 -4.175 1.00 34.50 C ATOM 1403 O ASP A 110 5.319 -11.270 -3.526 1.00 3.14 O ATOM 1404 CB ASP A 110 8.631 -11.142 -3.631 1.00 11.23 C ATOM 1405 CG ASP A 110 8.288 -11.201 -2.154 1.00 34.50 C ATOM 1406 OD1 ASP A 110 8.201 -12.313 -1.598 1.00 51.31 O ATOM 1407 OD2 ASP A 110 8.152 -10.129 -1.532 1.00 5.45 O ATOM 0 H ASP A 110 8.733 -10.891 -6.075 1.00 3.33 H new ATOM 0 HA ASP A 110 7.241 -12.592 -4.399 1.00 64.51 H new ATOM 0 HB2 ASP A 110 9.475 -11.804 -3.827 1.00 11.23 H new ATOM 0 HB3 ASP A 110 8.954 -10.131 -3.882 1.00 11.23 H new ATOM 1412 N ALA A 111 6.150 -9.478 -4.597 1.00 34.23 N ATOM 1413 CA ALA A 111 4.981 -8.662 -4.297 1.00 22.20 C ATOM 1414 C ALA A 111 3.716 -9.306 -4.860 1.00 15.34 C ATOM 1415 O ALA A 111 2.764 -9.600 -4.125 1.00 35.41 O ATOM 1416 CB ALA A 111 5.152 -7.258 -4.854 1.00 33.23 C ATOM 0 H ALA A 111 6.876 -9.008 -5.137 1.00 34.23 H new ATOM 0 HA ALA A 111 4.881 -8.595 -3.214 1.00 22.20 H new ATOM 0 HB1 ALA A 111 4.269 -6.664 -4.620 1.00 33.23 H new ATOM 0 HB2 ALA A 111 6.031 -6.794 -4.407 1.00 33.23 H new ATOM 0 HB3 ALA A 111 5.279 -7.309 -5.935 1.00 33.23 H new ATOM 1422 N ILE A 112 3.722 -9.557 -6.157 1.00 3.42 N ATOM 1423 CA ILE A 112 2.547 -10.075 -6.827 1.00 11.02 C ATOM 1424 C ILE A 112 2.210 -11.472 -6.340 1.00 5.03 C ATOM 1425 O ILE A 112 1.060 -11.749 -6.047 1.00 35.42 O ATOM 1426 CB ILE A 112 2.721 -10.085 -8.352 1.00 20.44 C ATOM 1427 CG1 ILE A 112 3.092 -8.686 -8.849 1.00 34.22 C ATOM 1428 CG2 ILE A 112 1.443 -10.563 -9.021 1.00 20.15 C ATOM 1429 CD1 ILE A 112 3.672 -8.675 -10.246 1.00 52.21 C ATOM 0 H ILE A 112 4.528 -9.410 -6.765 1.00 3.42 H new ATOM 0 HA ILE A 112 1.722 -9.406 -6.580 1.00 11.02 H new ATOM 0 HB ILE A 112 3.527 -10.771 -8.611 1.00 20.44 H new ATOM 0 HG12 ILE A 112 2.204 -8.054 -8.828 1.00 34.22 H new ATOM 0 HG13 ILE A 112 3.813 -8.244 -8.161 1.00 34.22 H new ATOM 0 HG21 ILE A 112 1.578 -10.566 -10.103 1.00 20.15 H new ATOM 0 HG22 ILE A 112 1.210 -11.572 -8.681 1.00 20.15 H new ATOM 0 HG23 ILE A 112 0.623 -9.894 -8.759 1.00 20.15 H new ATOM 0 HD11 ILE A 112 3.912 -7.651 -10.532 1.00 52.21 H new ATOM 0 HD12 ILE A 112 4.579 -9.280 -10.268 1.00 52.21 H new ATOM 0 HD13 ILE A 112 2.944 -9.087 -10.945 1.00 52.21 H new ATOM 1441 N GLU A 113 3.203 -12.343 -6.237 1.00 22.10 N ATOM 1442 CA GLU A 113 2.968 -13.693 -5.742 1.00 35.53 C ATOM 1443 C GLU A 113 2.379 -13.682 -4.339 1.00 1.44 C ATOM 1444 O GLU A 113 1.445 -14.417 -4.045 1.00 2.20 O ATOM 1445 CB GLU A 113 4.250 -14.521 -5.765 1.00 4.54 C ATOM 1446 CG GLU A 113 4.570 -15.092 -7.133 1.00 31.14 C ATOM 1447 CD GLU A 113 3.522 -16.092 -7.587 1.00 21.54 C ATOM 1448 OE1 GLU A 113 2.352 -15.695 -7.774 1.00 43.14 O ATOM 1449 OE2 GLU A 113 3.854 -17.283 -7.744 1.00 62.11 O ATOM 0 H GLU A 113 4.171 -12.143 -6.487 1.00 22.10 H new ATOM 0 HA GLU A 113 2.243 -14.155 -6.412 1.00 35.53 H new ATOM 0 HB2 GLU A 113 5.082 -13.899 -5.435 1.00 4.54 H new ATOM 0 HB3 GLU A 113 4.159 -15.338 -5.050 1.00 4.54 H new ATOM 0 HG2 GLU A 113 4.637 -14.281 -7.858 1.00 31.14 H new ATOM 0 HG3 GLU A 113 5.546 -15.576 -7.105 1.00 31.14 H new ATOM 1456 N GLN A 114 2.901 -12.838 -3.478 1.00 11.42 N ATOM 1457 CA GLN A 114 2.418 -12.789 -2.110 1.00 63.34 C ATOM 1458 C GLN A 114 1.098 -12.029 -2.008 1.00 11.31 C ATOM 1459 O GLN A 114 0.405 -12.119 -0.995 1.00 0.45 O ATOM 1460 CB GLN A 114 3.480 -12.181 -1.197 1.00 41.21 C ATOM 1461 CG GLN A 114 4.459 -13.212 -0.637 1.00 32.21 C ATOM 1462 CD GLN A 114 4.929 -14.223 -1.675 1.00 63.42 C ATOM 1463 OE1 GLN A 114 4.290 -15.258 -1.881 1.00 53.41 O ATOM 1464 NE2 GLN A 114 6.053 -13.947 -2.315 1.00 54.14 N ATOM 0 H GLN A 114 3.652 -12.182 -3.693 1.00 11.42 H new ATOM 0 HA GLN A 114 2.224 -13.810 -1.781 1.00 63.34 H new ATOM 0 HB2 GLN A 114 4.037 -11.426 -1.752 1.00 41.21 H new ATOM 0 HB3 GLN A 114 2.988 -11.670 -0.369 1.00 41.21 H new ATOM 0 HG2 GLN A 114 5.326 -12.694 -0.226 1.00 32.21 H new ATOM 0 HG3 GLN A 114 3.984 -13.743 0.188 1.00 32.21 H new ATOM 0 HE21 GLN A 114 6.553 -13.080 -2.117 1.00 54.14 H new ATOM 0 HE22 GLN A 114 6.420 -14.601 -3.007 1.00 54.14 H new ATOM 1473 N HIS A 115 0.746 -11.278 -3.048 1.00 40.41 N ATOM 1474 CA HIS A 115 -0.517 -10.543 -3.036 1.00 1.23 C ATOM 1475 C HIS A 115 -1.609 -11.159 -3.913 1.00 64.15 C ATOM 1476 O HIS A 115 -2.774 -10.790 -3.783 1.00 4.14 O ATOM 1477 CB HIS A 115 -0.292 -9.093 -3.457 1.00 41.01 C ATOM 1478 CG HIS A 115 0.417 -8.267 -2.425 1.00 75.22 C ATOM 1479 ND1 HIS A 115 0.181 -8.386 -1.074 1.00 63.11 N ATOM 1480 CD2 HIS A 115 1.369 -7.312 -2.554 1.00 15.24 C ATOM 1481 CE1 HIS A 115 0.950 -7.540 -0.419 1.00 22.30 C ATOM 1482 NE2 HIS A 115 1.685 -6.879 -1.290 1.00 63.44 N ATOM 0 H HIS A 115 1.304 -11.163 -3.894 1.00 40.41 H new ATOM 0 HA HIS A 115 -0.874 -10.596 -2.008 1.00 1.23 H new ATOM 0 HB2 HIS A 115 0.286 -9.078 -4.381 1.00 41.01 H new ATOM 0 HB3 HIS A 115 -1.256 -8.634 -3.677 1.00 41.01 H new ATOM 0 HD2 HIS A 115 1.799 -6.957 -3.479 1.00 15.24 H new ATOM 0 HE1 HIS A 115 0.974 -7.410 0.653 1.00 22.30 H new ATOM 0 HE2 HIS A 115 2.375 -6.163 -1.063 1.00 63.44 H new ATOM 1491 N LYS A 116 -1.255 -12.074 -4.801 1.00 34.23 N ATOM 1492 CA LYS A 116 -2.234 -12.629 -5.733 1.00 11.33 C ATOM 1493 C LYS A 116 -3.193 -13.567 -5.019 1.00 0.02 C ATOM 1494 O LYS A 116 -2.878 -14.113 -3.958 1.00 74.34 O ATOM 1495 CB LYS A 116 -1.548 -13.327 -6.922 1.00 11.45 C ATOM 1496 CG LYS A 116 -0.528 -14.384 -6.531 1.00 41.44 C ATOM 1497 CD LYS A 116 -1.184 -15.698 -6.135 1.00 43.05 C ATOM 1498 CE LYS A 116 -0.358 -16.433 -5.094 1.00 65.14 C ATOM 1499 NZ LYS A 116 0.986 -16.812 -5.610 1.00 61.23 N ATOM 0 H LYS A 116 -0.311 -12.447 -4.899 1.00 34.23 H new ATOM 0 HA LYS A 116 -2.816 -11.800 -6.136 1.00 11.33 H new ATOM 0 HB2 LYS A 116 -2.313 -13.791 -7.545 1.00 11.45 H new ATOM 0 HB3 LYS A 116 -1.054 -12.572 -7.534 1.00 11.45 H new ATOM 0 HG2 LYS A 116 0.152 -14.556 -7.365 1.00 41.44 H new ATOM 0 HG3 LYS A 116 0.074 -14.016 -5.700 1.00 41.44 H new ATOM 0 HD2 LYS A 116 -2.182 -15.505 -5.741 1.00 43.05 H new ATOM 0 HD3 LYS A 116 -1.306 -16.327 -7.017 1.00 43.05 H new ATOM 0 HE2 LYS A 116 -0.243 -15.802 -4.212 1.00 65.14 H new ATOM 0 HE3 LYS A 116 -0.890 -17.330 -4.777 1.00 65.14 H new ATOM 0 HZ1 LYS A 116 1.081 -17.848 -5.604 1.00 61.23 H new ATOM 0 HZ2 LYS A 116 1.096 -16.460 -6.582 1.00 61.23 H new ATOM 0 HZ3 LYS A 116 1.721 -16.394 -5.005 1.00 61.23 H new ATOM 1513 N THR A 117 -4.362 -13.746 -5.600 1.00 33.24 N ATOM 1514 CA THR A 117 -5.398 -14.549 -4.987 1.00 4.34 C ATOM 1515 C THR A 117 -5.906 -15.599 -5.966 1.00 0.23 C ATOM 1516 O THR A 117 -6.891 -15.323 -6.683 1.00 33.77 O ATOM 1517 CB THR A 117 -6.561 -13.658 -4.502 1.00 34.43 C ATOM 1518 OG1 THR A 117 -7.072 -12.880 -5.595 1.00 63.25 O ATOM 1519 CG2 THR A 117 -6.092 -12.729 -3.393 1.00 2.04 C ATOM 1520 OXT THR A 117 -5.299 -16.683 -6.037 1.00 33.77 O ATOM 0 H THR A 117 -4.618 -13.343 -6.501 1.00 33.24 H new ATOM 0 HA THR A 117 -4.971 -15.058 -4.123 1.00 4.34 H new ATOM 0 HB THR A 117 -7.351 -14.302 -4.115 1.00 34.43 H new ATOM 0 HG1 THR A 117 -7.178 -13.453 -6.383 1.00 63.25 H new ATOM 0 HG21 THR A 117 -6.924 -12.108 -3.063 1.00 2.04 H new ATOM 0 HG22 THR A 117 -5.725 -13.320 -2.554 1.00 2.04 H new ATOM 0 HG23 THR A 117 -5.290 -12.092 -3.767 1.00 2.04 H new