USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 856 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 97 TYR OH : rot -98:sc= 1.1 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.829 K(o=1.9,f=-3.7!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.445 USER MOD Set 2.2: A 82 SER OG : rot 74:sc= -0.534! USER MOD Set 3.1: A 71 ASN : amide:sc= 0.0927 K(o=1,f=-9.8!) USER MOD Set 3.2: A 72 SER OG : rot 92:sc= 0.907 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -2.44 K(o=-1.4,f=-4.4!) USER MOD Set 4.2: A 38 LYS NZ :NH3+ -175:sc= 1.21 (180deg=0.629) USER MOD Set 4.3: A 62 GLN : amide:sc= -0.141! C(o=-1.4!,f=-17!) USER MOD Set 5.1: A 26 MET CE :methyl -173:sc= -0.902 (180deg=-1.3) USER MOD Set 5.2: A 48 SER OG : rot -109:sc= 0.123 USER MOD Set 5.3: A 57 HIS : no HE2:sc= -2.48 K(o=-3.3,f=-16!) USER MOD Set 6.1: A 54 LYS NZ :NH3+ 173:sc= 0.403 (180deg=-0.487) USER MOD Set 6.2: A 90 TYR OH : rot 180:sc= 0.839 USER MOD Set 7.1: A 17 THR OG1 : rot 180:sc= -0.381 USER MOD Set 7.2: A 20 GLN : amide:sc= -1.38 K(o=-1.8,f=-3.3!) USER MOD Set 8.1: A 9 LYS NZ :NH3+ -160:sc= 0.704 (180deg=-0.0802) USER MOD Set 8.2: A 12 TYR OH : rot -70:sc= 0.717 USER MOD Single : A 6 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.5!) USER MOD Single : A 15 SER OG : rot 55:sc= 0.855 USER MOD Single : A 23 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.077) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 1.2 K(o=1.2,f=-0.3) USER MOD Single : A 43 ASN : amide:sc= 0.996 K(o=1,f=-2.3) USER MOD Single : A 44 SER OG : rot 80:sc= 0.297 USER MOD Single : A 45 TYR OH : rot 27:sc= -3.48! USER MOD Single : A 56 LYS NZ :NH3+ -101:sc= 1.76 (180deg=-2.56!) USER MOD Single : A 58 CYS SG : rot 57:sc= -0.394! USER MOD Single : A 61 GLN : amide:sc= -0.403! C(o=-0.4!,f=-12!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 18:sc= 1.11 USER MOD Single : A 68 MET CE :methyl 154:sc= -0.127 (180deg=-1.59) USER MOD Single : A 76 SER OG : rot 180:sc= -0.59 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 15:sc= 0.808 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.63 (180deg=1.29) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 92 LYS NZ :NH3+ 149:sc= -0.796! (180deg=-2.01!) USER MOD Single : A 93 MET CE :methyl -113:sc= -5 (180deg=-10.9!) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 1.03 (180deg=-2.49) USER MOD Single : B 8 SER OG : rot 94:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 6.065 -2.497 -14.108 1.00 0.00 N ATOM 34 CA GLU B 4 4.630 -2.562 -14.557 1.00 0.00 C ATOM 35 C GLU B 4 4.160 -4.017 -14.719 1.00 0.00 C ATOM 36 O GLU B 4 4.933 -4.948 -14.623 1.00 0.00 O ATOM 37 CB GLU B 4 4.597 -1.867 -15.929 1.00 0.00 C ATOM 38 CG GLU B 4 3.803 -0.562 -15.828 1.00 0.00 C ATOM 39 CD GLU B 4 2.372 -0.766 -16.334 1.00 0.00 C ATOM 40 OE1 GLU B 4 1.778 -1.798 -16.042 1.00 0.00 O ATOM 41 OE2 GLU B 4 1.882 0.131 -16.993 1.00 0.00 O ATOM 0 HA GLU B 4 3.974 -2.090 -13.825 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.612 -1.661 -16.267 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.142 -2.525 -16.670 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.784 -0.220 -14.793 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.294 0.216 -16.412 1.00 0.00 H new ATOM 48 N VAL B 5 2.894 -4.191 -15.013 1.00 0.00 N ATOM 49 CA VAL B 5 2.310 -5.559 -15.256 1.00 0.00 C ATOM 50 C VAL B 5 2.524 -6.556 -14.092 1.00 0.00 C ATOM 51 O VAL B 5 3.543 -7.216 -13.994 1.00 0.00 O ATOM 52 CB VAL B 5 3.010 -6.061 -16.530 1.00 0.00 C ATOM 53 CG1 VAL B 5 2.542 -7.482 -16.855 1.00 0.00 C ATOM 54 CG2 VAL B 5 2.667 -5.144 -17.708 1.00 0.00 C ATOM 0 H VAL B 5 2.222 -3.428 -15.098 1.00 0.00 H new ATOM 0 HA VAL B 5 1.226 -5.489 -15.350 1.00 0.00 H new ATOM 0 HB VAL B 5 4.087 -6.058 -16.363 1.00 0.00 H new ATOM 0 HG11 VAL B 5 3.041 -7.832 -17.758 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.787 -8.145 -16.025 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.464 -7.483 -17.013 1.00 0.00 H new ATOM 0 HG21 VAL B 5 3.166 -5.505 -18.607 1.00 0.00 H new ATOM 0 HG22 VAL B 5 1.589 -5.143 -17.867 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.002 -4.130 -17.489 1.00 0.00 H new ATOM 89 N GLU B 7 0.021 -9.083 -10.840 1.00 0.00 N ATOM 90 CA GLU B 7 -1.307 -9.746 -10.627 1.00 0.00 C ATOM 91 C GLU B 7 -1.739 -9.798 -9.130 1.00 0.00 C ATOM 92 O GLU B 7 -2.857 -9.457 -8.807 1.00 0.00 O ATOM 93 CB GLU B 7 -1.098 -11.160 -11.173 1.00 0.00 C ATOM 94 CG GLU B 7 -2.456 -11.819 -11.443 1.00 0.00 C ATOM 95 CD GLU B 7 -3.116 -12.205 -10.118 1.00 0.00 C ATOM 96 OE1 GLU B 7 -2.466 -12.868 -9.323 1.00 0.00 O ATOM 97 OE2 GLU B 7 -4.257 -11.823 -9.919 1.00 0.00 O ATOM 0 HA GLU B 7 -2.106 -9.193 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.513 -11.122 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.530 -11.756 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.100 -11.134 -11.995 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -2.324 -12.704 -12.066 1.00 0.00 H new ATOM 104 N SER B 8 -0.896 -10.252 -8.223 1.00 0.00 N ATOM 105 CA SER B 8 -1.324 -10.345 -6.770 1.00 0.00 C ATOM 106 C SER B 8 -0.507 -9.387 -5.875 1.00 0.00 C ATOM 107 O SER B 8 0.646 -9.651 -5.586 1.00 0.00 O ATOM 108 CB SER B 8 -1.059 -11.801 -6.386 1.00 0.00 C ATOM 109 OG SER B 8 -2.170 -12.602 -6.779 1.00 0.00 O ATOM 0 H SER B 8 0.057 -10.559 -8.416 1.00 0.00 H new ATOM 0 HA SER B 8 -2.367 -10.058 -6.636 1.00 0.00 H new ATOM 0 HB2 SER B 8 -0.150 -12.157 -6.871 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.900 -11.882 -5.311 1.00 0.00 H new ATOM 0 HG SER B 8 -2.003 -12.980 -7.668 1.00 0.00 H new ATOM 115 N PRO B 9 -1.127 -8.280 -5.491 1.00 0.00 N ATOM 116 CA PRO B 9 -0.452 -7.239 -4.673 1.00 0.00 C ATOM 117 C PRO B 9 -0.649 -7.442 -3.154 1.00 0.00 C ATOM 118 O PRO B 9 -0.646 -8.557 -2.653 1.00 0.00 O ATOM 119 CB PRO B 9 -1.138 -5.959 -5.167 1.00 0.00 C ATOM 120 CG PRO B 9 -2.473 -6.378 -5.704 1.00 0.00 C ATOM 121 CD PRO B 9 -2.504 -7.884 -5.770 1.00 0.00 C ATOM 0 HA PRO B 9 0.632 -7.242 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.253 -5.241 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.543 -5.473 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.273 -6.009 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -2.635 -5.951 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.195 -8.301 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -2.829 -8.234 -6.750 1.00 0.00 H new ATOM 154 N ALA B 11 -2.791 -7.930 -0.424 1.00 0.00 N ATOM 155 CA ALA B 11 -4.184 -8.252 0.002 1.00 0.00 C ATOM 156 C ALA B 11 -4.128 -9.176 1.229 1.00 0.00 C ATOM 157 O ALA B 11 -5.032 -9.950 1.486 1.00 0.00 O ATOM 158 CB ALA B 11 -4.803 -8.972 -1.196 1.00 0.00 C ATOM 0 HA ALA B 11 -4.765 -7.372 0.280 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.833 -9.245 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -4.789 -8.313 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.230 -9.873 -1.415 1.00 0.00 H new ATOM 164 N ASP B 12 -3.055 -9.102 1.977 1.00 0.00 N ATOM 165 CA ASP B 12 -2.899 -9.974 3.179 1.00 0.00 C ATOM 166 C ASP B 12 -2.538 -9.122 4.407 1.00 0.00 C ATOM 167 O ASP B 12 -1.986 -8.043 4.273 1.00 0.00 O ATOM 168 CB ASP B 12 -1.749 -10.951 2.846 1.00 0.00 C ATOM 169 CG ASP B 12 -1.450 -10.966 1.340 1.00 0.00 C ATOM 170 OD1 ASP B 12 -0.677 -10.126 0.896 1.00 0.00 O ATOM 171 OD2 ASP B 12 -1.992 -11.816 0.659 1.00 0.00 O ATOM 0 H ASP B 12 -2.274 -8.469 1.803 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.821 -10.507 3.413 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -0.853 -10.662 3.394 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -2.015 -11.955 3.177 1.00 0.00 H new ATOM 176 N PRO B 13 -2.864 -9.637 5.569 1.00 0.00 N ATOM 177 CA PRO B 13 -2.568 -8.913 6.833 1.00 0.00 C ATOM 178 C PRO B 13 -1.076 -9.028 7.193 1.00 0.00 C ATOM 179 O PRO B 13 -0.260 -9.456 6.395 1.00 0.00 O ATOM 180 CB PRO B 13 -3.434 -9.634 7.865 1.00 0.00 C ATOM 181 CG PRO B 13 -3.639 -11.012 7.314 1.00 0.00 C ATOM 182 CD PRO B 13 -3.533 -10.922 5.812 1.00 0.00 C ATOM 0 HA PRO B 13 -2.778 -7.845 6.772 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -2.942 -9.668 8.837 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -4.385 -9.122 8.007 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -2.891 -11.698 7.710 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.615 -11.400 7.607 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -2.958 -11.753 5.404 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.516 -10.953 5.342 1.00 0.00 H new ATOM 243 N GLY A 4 -8.722 3.614 8.192 1.00 0.00 N ATOM 244 CA GLY A 4 -8.294 5.038 8.057 1.00 0.00 C ATOM 245 C GLY A 4 -9.118 5.733 6.968 1.00 0.00 C ATOM 246 O GLY A 4 -9.828 6.682 7.245 1.00 0.00 O ATOM 0 HA2 GLY A 4 -8.422 5.556 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.234 5.085 7.808 1.00 0.00 H new ATOM 250 N ILE A 5 -9.024 5.282 5.729 1.00 0.00 N ATOM 251 CA ILE A 5 -9.805 5.913 4.597 1.00 0.00 C ATOM 252 C ILE A 5 -9.356 7.369 4.298 1.00 0.00 C ATOM 253 O ILE A 5 -9.452 7.831 3.174 1.00 0.00 O ATOM 254 CB ILE A 5 -11.278 5.831 5.040 1.00 0.00 C ATOM 255 CG1 ILE A 5 -11.899 4.531 4.504 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.082 7.022 4.502 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.067 3.324 4.955 1.00 0.00 C ATOM 0 H ILE A 5 -8.435 4.497 5.450 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.636 5.391 3.655 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.309 5.849 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.923 4.432 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.947 4.563 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.118 6.939 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.655 7.950 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.045 7.024 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.516 2.408 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.051 3.419 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.042 3.286 6.044 1.00 0.00 H new ATOM 269 N HIS A 6 -8.875 8.091 5.279 1.00 0.00 N ATOM 270 CA HIS A 6 -8.422 9.499 5.051 1.00 0.00 C ATOM 271 C HIS A 6 -7.223 9.814 5.958 1.00 0.00 C ATOM 272 O HIS A 6 -6.246 10.398 5.530 1.00 0.00 O ATOM 273 CB HIS A 6 -9.632 10.364 5.419 1.00 0.00 C ATOM 274 CG HIS A 6 -10.157 11.042 4.184 1.00 0.00 C ATOM 275 ND1 HIS A 6 -10.325 10.366 2.987 1.00 0.00 N ATOM 276 CD2 HIS A 6 -10.553 12.334 3.946 1.00 0.00 C ATOM 277 CE1 HIS A 6 -10.803 11.248 2.088 1.00 0.00 C ATOM 278 NE2 HIS A 6 -10.960 12.462 2.622 1.00 0.00 N ATOM 0 H HIS A 6 -8.776 7.762 6.239 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.097 9.678 4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.411 9.747 5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.348 11.108 6.163 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.124 9.381 2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.549 13.130 4.676 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.031 11.003 1.061 1.00 0.00 H new ATOM 286 N GLU A 7 -7.294 9.422 7.207 1.00 0.00 N ATOM 287 CA GLU A 7 -6.164 9.680 8.154 1.00 0.00 C ATOM 288 C GLU A 7 -5.020 8.673 7.932 1.00 0.00 C ATOM 289 O GLU A 7 -3.873 8.951 8.230 1.00 0.00 O ATOM 290 CB GLU A 7 -6.777 9.518 9.558 1.00 0.00 C ATOM 291 CG GLU A 7 -7.289 8.077 9.767 1.00 0.00 C ATOM 292 CD GLU A 7 -6.704 7.459 11.050 1.00 0.00 C ATOM 293 OE1 GLU A 7 -5.860 8.079 11.681 1.00 0.00 O ATOM 294 OE2 GLU A 7 -7.101 6.351 11.374 1.00 0.00 O ATOM 0 H GLU A 7 -8.091 8.932 7.613 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.729 10.669 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.031 9.758 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.598 10.223 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.377 8.080 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.017 7.463 8.908 1.00 0.00 H new ATOM 301 N SER A 8 -5.322 7.508 7.409 1.00 0.00 N ATOM 302 CA SER A 8 -4.261 6.475 7.167 1.00 0.00 C ATOM 303 C SER A 8 -3.471 6.788 5.885 1.00 0.00 C ATOM 304 O SER A 8 -3.311 7.940 5.514 1.00 0.00 O ATOM 305 CB SER A 8 -5.032 5.158 7.029 1.00 0.00 C ATOM 306 OG SER A 8 -5.979 5.274 5.971 1.00 0.00 O ATOM 0 H SER A 8 -6.264 7.226 7.137 1.00 0.00 H new ATOM 0 HA SER A 8 -3.526 6.441 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.342 4.339 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.541 4.922 7.963 1.00 0.00 H new ATOM 0 HG SER A 8 -6.472 4.432 5.880 1.00 0.00 H new ATOM 312 N LYS A 9 -2.963 5.779 5.206 1.00 0.00 N ATOM 313 CA LYS A 9 -2.175 6.049 3.952 1.00 0.00 C ATOM 314 C LYS A 9 -2.554 5.078 2.811 1.00 0.00 C ATOM 315 O LYS A 9 -3.387 4.209 2.973 1.00 0.00 O ATOM 316 CB LYS A 9 -0.711 5.869 4.365 1.00 0.00 C ATOM 317 CG LYS A 9 0.199 6.513 3.316 1.00 0.00 C ATOM 318 CD LYS A 9 1.267 7.360 4.006 1.00 0.00 C ATOM 319 CE LYS A 9 1.596 8.580 3.140 1.00 0.00 C ATOM 320 NZ LYS A 9 2.180 8.027 1.880 1.00 0.00 N ATOM 0 H LYS A 9 -3.057 4.796 5.460 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.377 7.046 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.539 6.325 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.477 4.809 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.671 5.741 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.391 7.134 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.913 7.682 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.166 6.766 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.702 9.168 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.302 9.240 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.728 8.767 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.805 7.227 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.414 7.701 1.256 1.00 0.00 H new ATOM 334 N GLU A 10 -1.944 5.252 1.650 1.00 0.00 N ATOM 335 CA GLU A 10 -2.232 4.385 0.451 1.00 0.00 C ATOM 336 C GLU A 10 -3.726 4.419 0.070 1.00 0.00 C ATOM 337 O GLU A 10 -4.216 3.555 -0.633 1.00 0.00 O ATOM 338 CB GLU A 10 -1.773 2.970 0.834 1.00 0.00 C ATOM 339 CG GLU A 10 -0.364 2.725 0.268 1.00 0.00 C ATOM 340 CD GLU A 10 0.031 1.242 0.389 1.00 0.00 C ATOM 341 OE1 GLU A 10 -0.418 0.593 1.319 1.00 0.00 O ATOM 342 OE2 GLU A 10 0.793 0.787 -0.448 1.00 0.00 O ATOM 0 H GLU A 10 -1.244 5.975 1.483 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.702 4.743 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.767 2.858 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.470 2.230 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.331 3.029 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.358 3.342 0.802 1.00 0.00 H new ATOM 349 N TRP A 11 -4.441 5.431 0.501 1.00 0.00 N ATOM 350 CA TRP A 11 -5.893 5.554 0.138 1.00 0.00 C ATOM 351 C TRP A 11 -6.086 6.599 -0.978 1.00 0.00 C ATOM 352 O TRP A 11 -7.199 6.905 -1.367 1.00 0.00 O ATOM 353 CB TRP A 11 -6.622 5.984 1.425 1.00 0.00 C ATOM 354 CG TRP A 11 -5.946 7.156 2.068 1.00 0.00 C ATOM 355 CD1 TRP A 11 -5.153 7.081 3.158 1.00 0.00 C ATOM 356 CD2 TRP A 11 -5.998 8.564 1.696 1.00 0.00 C ATOM 357 NE1 TRP A 11 -4.704 8.348 3.475 1.00 0.00 N ATOM 358 CE2 TRP A 11 -5.199 9.297 2.603 1.00 0.00 C ATOM 359 CE3 TRP A 11 -6.650 9.268 0.665 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -5.055 10.680 2.497 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -6.508 10.661 0.555 1.00 0.00 C ATOM 362 CH2 TRP A 11 -5.710 11.365 1.467 1.00 0.00 C ATOM 0 H TRP A 11 -4.082 6.181 1.091 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.289 4.612 -0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.655 6.241 1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.651 5.149 2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.909 6.176 3.695 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.083 8.557 4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.263 8.733 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.442 11.219 3.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.016 11.192 -0.236 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.601 12.435 1.375 1.00 0.00 H new ATOM 373 N TYR A 12 -5.011 7.146 -1.498 1.00 0.00 N ATOM 374 CA TYR A 12 -5.133 8.171 -2.588 1.00 0.00 C ATOM 375 C TYR A 12 -4.914 7.521 -3.964 1.00 0.00 C ATOM 376 O TYR A 12 -4.122 7.982 -4.769 1.00 0.00 O ATOM 377 CB TYR A 12 -4.069 9.260 -2.306 1.00 0.00 C ATOM 378 CG TYR A 12 -2.837 8.688 -1.623 1.00 0.00 C ATOM 379 CD1 TYR A 12 -1.898 7.948 -2.355 1.00 0.00 C ATOM 380 CD2 TYR A 12 -2.638 8.903 -0.252 1.00 0.00 C ATOM 381 CE1 TYR A 12 -0.761 7.427 -1.715 1.00 0.00 C ATOM 382 CE2 TYR A 12 -1.504 8.383 0.386 1.00 0.00 C ATOM 383 CZ TYR A 12 -0.565 7.644 -0.344 1.00 0.00 C ATOM 384 OH TYR A 12 0.557 7.130 0.292 1.00 0.00 O ATOM 0 H TYR A 12 -4.055 6.928 -1.216 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.130 8.611 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.777 9.733 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.504 10.038 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.049 7.778 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.361 9.471 0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.037 6.859 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.354 8.552 1.442 1.00 0.00 H new ATOM 0 HH TYR A 12 0.484 6.154 0.347 1.00 0.00 H new ATOM 394 N HIS A 13 -5.614 6.450 -4.238 1.00 0.00 N ATOM 395 CA HIS A 13 -5.463 5.761 -5.548 1.00 0.00 C ATOM 396 C HIS A 13 -6.216 6.521 -6.656 1.00 0.00 C ATOM 397 O HIS A 13 -7.118 7.293 -6.394 1.00 0.00 O ATOM 398 CB HIS A 13 -6.043 4.344 -5.313 1.00 0.00 C ATOM 399 CG HIS A 13 -7.223 4.065 -6.216 1.00 0.00 C ATOM 400 ND1 HIS A 13 -8.423 4.748 -6.102 1.00 0.00 N ATOM 401 CD2 HIS A 13 -7.401 3.171 -7.243 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.261 4.257 -7.034 1.00 0.00 C ATOM 403 NE2 HIS A 13 -8.688 3.294 -7.757 1.00 0.00 N ATOM 0 H HIS A 13 -6.288 6.023 -3.603 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.427 5.716 -5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.267 3.599 -5.489 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.350 4.245 -4.272 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.633 5.489 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.654 2.477 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.274 4.601 -7.179 1.00 0.00 H new ATOM 411 N ALA A 14 -5.832 6.285 -7.890 1.00 0.00 N ATOM 412 CA ALA A 14 -6.476 6.939 -9.083 1.00 0.00 C ATOM 413 C ALA A 14 -5.955 8.367 -9.319 1.00 0.00 C ATOM 414 O ALA A 14 -6.405 9.039 -10.227 1.00 0.00 O ATOM 415 CB ALA A 14 -7.986 6.953 -8.809 1.00 0.00 C ATOM 0 H ALA A 14 -5.074 5.645 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.235 6.382 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.504 7.419 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.343 5.931 -8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.185 7.519 -7.899 1.00 0.00 H new ATOM 421 N SER A 15 -5.016 8.846 -8.538 1.00 0.00 N ATOM 422 CA SER A 15 -4.510 10.233 -8.784 1.00 0.00 C ATOM 423 C SER A 15 -3.023 10.366 -8.421 1.00 0.00 C ATOM 424 O SER A 15 -2.658 11.049 -7.479 1.00 0.00 O ATOM 425 CB SER A 15 -5.375 11.146 -7.906 1.00 0.00 C ATOM 426 OG SER A 15 -5.106 10.884 -6.531 1.00 0.00 O ATOM 0 H SER A 15 -4.586 8.349 -7.758 1.00 0.00 H new ATOM 0 HA SER A 15 -4.581 10.498 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.166 12.191 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.431 10.978 -8.119 1.00 0.00 H new ATOM 0 HG SER A 15 -4.145 10.976 -6.362 1.00 0.00 H new ATOM 432 N LEU A 16 -2.167 9.728 -9.176 1.00 0.00 N ATOM 433 CA LEU A 16 -0.697 9.818 -8.909 1.00 0.00 C ATOM 434 C LEU A 16 0.079 9.246 -10.102 1.00 0.00 C ATOM 435 O LEU A 16 -0.490 8.946 -11.138 1.00 0.00 O ATOM 436 CB LEU A 16 -0.461 8.983 -7.638 1.00 0.00 C ATOM 437 CG LEU A 16 -0.314 7.496 -7.991 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.600 6.809 -6.970 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.691 6.832 -7.971 1.00 0.00 C ATOM 0 H LEU A 16 -2.423 9.144 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.357 10.845 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.437 9.332 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.293 9.118 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 16 0.124 7.402 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.701 5.754 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.582 7.282 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.167 6.902 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.589 5.776 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.127 6.929 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.339 7.317 -8.701 1.00 0.00 H new ATOM 451 N THR A 17 1.363 9.065 -9.959 1.00 0.00 N ATOM 452 CA THR A 17 2.165 8.483 -11.076 1.00 0.00 C ATOM 453 C THR A 17 2.103 6.956 -11.023 1.00 0.00 C ATOM 454 O THR A 17 1.662 6.371 -10.054 1.00 0.00 O ATOM 455 CB THR A 17 3.606 8.962 -10.863 1.00 0.00 C ATOM 456 OG1 THR A 17 3.890 9.025 -9.472 1.00 0.00 O ATOM 457 CG2 THR A 17 3.780 10.347 -11.485 1.00 0.00 C ATOM 0 H THR A 17 1.893 9.294 -9.118 1.00 0.00 H new ATOM 0 HA THR A 17 1.783 8.796 -12.048 1.00 0.00 H new ATOM 0 HB THR A 17 4.293 8.262 -11.338 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.812 9.330 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.804 10.688 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.569 10.295 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.091 11.047 -11.012 1.00 0.00 H new ATOM 465 N ARG A 18 2.543 6.308 -12.060 1.00 0.00 N ATOM 466 CA ARG A 18 2.525 4.816 -12.083 1.00 0.00 C ATOM 467 C ARG A 18 3.693 4.263 -11.241 1.00 0.00 C ATOM 468 O ARG A 18 4.031 4.807 -10.211 1.00 0.00 O ATOM 469 CB ARG A 18 2.653 4.433 -13.563 1.00 0.00 C ATOM 470 CG ARG A 18 1.486 5.027 -14.363 1.00 0.00 C ATOM 471 CD ARG A 18 0.162 4.442 -13.857 1.00 0.00 C ATOM 472 NE ARG A 18 -0.244 3.437 -14.886 1.00 0.00 N ATOM 473 CZ ARG A 18 0.559 2.471 -15.219 1.00 0.00 C ATOM 474 NH1 ARG A 18 0.962 1.626 -14.325 1.00 0.00 N ATOM 475 NH2 ARG A 18 0.951 2.362 -16.443 1.00 0.00 N ATOM 0 H ARG A 18 2.918 6.747 -12.901 1.00 0.00 H new ATOM 0 HA ARG A 18 1.615 4.398 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.600 4.798 -13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.661 3.348 -13.667 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.478 6.112 -14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.610 4.807 -15.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.286 3.976 -12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.594 5.219 -13.746 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.159 3.510 -15.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.649 1.718 -13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.592 0.868 -14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.631 3.032 -17.143 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.581 1.606 -16.711 1.00 0.00 H new ATOM 489 N ALA A 19 4.283 3.172 -11.658 1.00 0.00 N ATOM 490 CA ALA A 19 5.403 2.538 -10.881 1.00 0.00 C ATOM 491 C ALA A 19 6.455 3.547 -10.405 1.00 0.00 C ATOM 492 O ALA A 19 7.208 3.260 -9.506 1.00 0.00 O ATOM 493 CB ALA A 19 6.058 1.582 -11.871 1.00 0.00 C ATOM 0 H ALA A 19 4.035 2.682 -12.518 1.00 0.00 H new ATOM 0 HA ALA A 19 5.013 2.062 -9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.891 1.072 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.326 0.846 -12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.425 2.143 -12.730 1.00 0.00 H new ATOM 499 N GLN A 20 6.531 4.709 -10.985 1.00 0.00 N ATOM 500 CA GLN A 20 7.555 5.694 -10.531 1.00 0.00 C ATOM 501 C GLN A 20 7.465 5.929 -9.003 1.00 0.00 C ATOM 502 O GLN A 20 8.415 5.694 -8.275 1.00 0.00 O ATOM 503 CB GLN A 20 7.227 6.971 -11.302 1.00 0.00 C ATOM 504 CG GLN A 20 8.101 8.093 -10.764 1.00 0.00 C ATOM 505 CD GLN A 20 7.742 9.413 -11.445 1.00 0.00 C ATOM 506 OE1 GLN A 20 6.870 10.122 -10.994 1.00 0.00 O ATOM 507 NE2 GLN A 20 8.380 9.778 -12.518 1.00 0.00 N ATOM 0 H GLN A 20 5.933 5.021 -11.750 1.00 0.00 H new ATOM 0 HA GLN A 20 8.571 5.347 -10.719 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.407 6.828 -12.367 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.173 7.223 -11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.967 8.183 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.152 7.860 -10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.115 9.184 -12.901 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.145 10.658 -12.976 1.00 0.00 H new ATOM 516 N ALA A 21 6.334 6.384 -8.517 1.00 0.00 N ATOM 517 CA ALA A 21 6.177 6.631 -7.043 1.00 0.00 C ATOM 518 C ALA A 21 6.196 5.306 -6.267 1.00 0.00 C ATOM 519 O ALA A 21 6.834 5.185 -5.235 1.00 0.00 O ATOM 520 CB ALA A 21 4.819 7.327 -6.913 1.00 0.00 C ATOM 0 H ALA A 21 5.509 6.596 -9.078 1.00 0.00 H new ATOM 0 HA ALA A 21 6.987 7.234 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.621 7.546 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.831 8.257 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.037 6.674 -7.301 1.00 0.00 H new ATOM 526 N GLU A 22 5.499 4.321 -6.753 1.00 0.00 N ATOM 527 CA GLU A 22 5.454 2.998 -6.060 1.00 0.00 C ATOM 528 C GLU A 22 6.864 2.401 -5.980 1.00 0.00 C ATOM 529 O GLU A 22 7.273 1.880 -4.956 1.00 0.00 O ATOM 530 CB GLU A 22 4.540 2.145 -6.936 1.00 0.00 C ATOM 531 CG GLU A 22 3.066 2.429 -6.599 1.00 0.00 C ATOM 532 CD GLU A 22 2.757 3.933 -6.599 1.00 0.00 C ATOM 533 OE1 GLU A 22 3.086 4.598 -7.568 1.00 0.00 O ATOM 534 OE2 GLU A 22 2.158 4.380 -5.645 1.00 0.00 O ATOM 0 H GLU A 22 4.950 4.373 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 22 5.089 3.063 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.728 2.360 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.759 1.088 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.425 1.927 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.830 2.010 -5.621 1.00 0.00 H new ATOM 541 N HIS A 23 7.618 2.510 -7.045 1.00 0.00 N ATOM 542 CA HIS A 23 9.019 1.997 -7.044 1.00 0.00 C ATOM 543 C HIS A 23 9.831 2.844 -6.066 1.00 0.00 C ATOM 544 O HIS A 23 10.623 2.327 -5.300 1.00 0.00 O ATOM 545 CB HIS A 23 9.518 2.176 -8.485 1.00 0.00 C ATOM 546 CG HIS A 23 10.878 1.548 -8.648 1.00 0.00 C ATOM 547 ND1 HIS A 23 11.125 0.541 -9.571 1.00 0.00 N ATOM 548 CD2 HIS A 23 12.079 1.790 -8.029 1.00 0.00 C ATOM 549 CE1 HIS A 23 12.430 0.223 -9.483 1.00 0.00 C ATOM 550 NE2 HIS A 23 13.057 0.954 -8.558 1.00 0.00 N ATOM 0 H HIS A 23 7.319 2.936 -7.922 1.00 0.00 H new ATOM 0 HA HIS A 23 9.104 0.955 -6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.813 1.720 -9.181 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.568 3.237 -8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.240 2.519 -7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.911 -0.532 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.042 0.909 -8.296 1.00 0.00 H new ATOM 558 N MET A 24 9.606 4.145 -6.051 1.00 0.00 N ATOM 559 CA MET A 24 10.340 5.005 -5.076 1.00 0.00 C ATOM 560 C MET A 24 10.095 4.455 -3.672 1.00 0.00 C ATOM 561 O MET A 24 11.009 4.294 -2.895 1.00 0.00 O ATOM 562 CB MET A 24 9.743 6.410 -5.216 1.00 0.00 C ATOM 563 CG MET A 24 10.383 7.348 -4.181 1.00 0.00 C ATOM 564 SD MET A 24 9.978 9.062 -4.598 1.00 0.00 S ATOM 565 CE MET A 24 11.212 9.853 -3.538 1.00 0.00 C ATOM 0 H MET A 24 8.955 4.635 -6.665 1.00 0.00 H new ATOM 0 HA MET A 24 11.415 5.025 -5.256 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.916 6.791 -6.223 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.663 6.373 -5.070 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.019 7.109 -3.182 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.464 7.210 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.139 10.936 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.033 9.574 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.209 9.527 -3.834 1.00 0.00 H new ATOM 575 N LEU A 25 8.862 4.146 -3.353 1.00 0.00 N ATOM 576 CA LEU A 25 8.556 3.589 -2.001 1.00 0.00 C ATOM 577 C LEU A 25 9.126 2.185 -1.854 1.00 0.00 C ATOM 578 O LEU A 25 9.719 1.864 -0.851 1.00 0.00 O ATOM 579 CB LEU A 25 7.041 3.576 -1.896 1.00 0.00 C ATOM 580 CG LEU A 25 6.501 4.996 -1.689 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.401 4.940 -0.645 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.587 5.962 -1.191 1.00 0.00 C ATOM 0 H LEU A 25 8.057 4.255 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 25 9.005 4.187 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.612 3.147 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.734 2.940 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 25 6.135 5.362 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.002 5.941 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.603 4.284 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.806 4.555 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.158 6.955 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.981 5.607 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.394 6.010 -1.922 1.00 0.00 H new ATOM 594 N MET A 26 8.986 1.341 -2.837 1.00 0.00 N ATOM 595 CA MET A 26 9.586 -0.016 -2.692 1.00 0.00 C ATOM 596 C MET A 26 11.097 0.142 -2.464 1.00 0.00 C ATOM 597 O MET A 26 11.713 -0.613 -1.736 1.00 0.00 O ATOM 598 CB MET A 26 9.311 -0.735 -4.015 1.00 0.00 C ATOM 599 CG MET A 26 9.398 -2.249 -3.798 1.00 0.00 C ATOM 600 SD MET A 26 7.743 -2.978 -3.895 1.00 0.00 S ATOM 601 CE MET A 26 6.975 -2.024 -2.562 1.00 0.00 C ATOM 0 H MET A 26 8.496 1.523 -3.713 1.00 0.00 H new ATOM 0 HA MET A 26 9.172 -0.576 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.323 -0.466 -4.389 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.034 -0.422 -4.769 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.047 -2.697 -4.550 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.843 -2.461 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.973 -2.408 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.577 -2.112 -1.658 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.911 -0.976 -2.855 1.00 0.00 H new ATOM 611 N ARG A 27 11.692 1.121 -3.107 1.00 0.00 N ATOM 612 CA ARG A 27 13.160 1.354 -2.963 1.00 0.00 C ATOM 613 C ARG A 27 13.540 2.215 -1.738 1.00 0.00 C ATOM 614 O ARG A 27 14.701 2.238 -1.373 1.00 0.00 O ATOM 615 CB ARG A 27 13.582 2.052 -4.271 1.00 0.00 C ATOM 616 CG ARG A 27 13.492 3.585 -4.130 1.00 0.00 C ATOM 617 CD ARG A 27 14.897 4.208 -4.189 1.00 0.00 C ATOM 618 NE ARG A 27 15.393 4.182 -2.777 1.00 0.00 N ATOM 619 CZ ARG A 27 15.608 5.287 -2.126 1.00 0.00 C ATOM 620 NH1 ARG A 27 14.649 6.144 -1.968 1.00 0.00 N ATOM 621 NH2 ARG A 27 16.783 5.527 -1.630 1.00 0.00 N ATOM 0 H ARG A 27 11.215 1.773 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 27 13.673 0.407 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.602 1.766 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.942 1.720 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.871 3.995 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.011 3.843 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.553 3.640 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.861 5.226 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 27 15.564 3.286 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.725 5.952 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.818 7.011 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.536 4.850 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.954 6.393 -1.119 1.00 0.00 H new ATOM 635 N VAL A 28 12.631 2.984 -1.150 1.00 0.00 N ATOM 636 CA VAL A 28 13.046 3.887 -0.003 1.00 0.00 C ATOM 637 C VAL A 28 14.000 3.208 0.994 1.00 0.00 C ATOM 638 O VAL A 28 14.028 1.998 1.126 1.00 0.00 O ATOM 639 CB VAL A 28 11.780 4.332 0.726 1.00 0.00 C ATOM 640 CG1 VAL A 28 10.995 5.295 -0.158 1.00 0.00 C ATOM 641 CG2 VAL A 28 10.922 3.123 1.081 1.00 0.00 C ATOM 0 H VAL A 28 11.645 3.026 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 28 13.593 4.732 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 28 12.059 4.839 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.091 5.612 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.610 6.167 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.722 4.795 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.023 3.455 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.641 2.596 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.488 2.453 1.728 1.00 0.00 H new ATOM 651 N PRO A 29 14.751 4.050 1.661 1.00 0.00 N ATOM 652 CA PRO A 29 15.758 3.606 2.678 1.00 0.00 C ATOM 653 C PRO A 29 15.116 2.910 3.895 1.00 0.00 C ATOM 654 O PRO A 29 15.309 1.727 4.111 1.00 0.00 O ATOM 655 CB PRO A 29 16.427 4.925 3.092 1.00 0.00 C ATOM 656 CG PRO A 29 15.412 5.978 2.773 1.00 0.00 C ATOM 657 CD PRO A 29 14.732 5.513 1.529 1.00 0.00 C ATOM 0 HA PRO A 29 16.447 2.863 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.680 4.926 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.354 5.089 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.699 6.096 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.887 6.948 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.714 5.898 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.260 5.843 0.634 1.00 0.00 H new ATOM 665 N ARG A 30 14.386 3.636 4.706 1.00 0.00 N ATOM 666 CA ARG A 30 13.767 3.024 5.927 1.00 0.00 C ATOM 667 C ARG A 30 12.427 2.359 5.611 1.00 0.00 C ATOM 668 O ARG A 30 11.903 2.458 4.514 1.00 0.00 O ATOM 669 CB ARG A 30 13.528 4.197 6.882 1.00 0.00 C ATOM 670 CG ARG A 30 14.851 4.898 7.196 1.00 0.00 C ATOM 671 CD ARG A 30 14.979 5.088 8.710 1.00 0.00 C ATOM 672 NE ARG A 30 16.430 5.347 8.939 1.00 0.00 N ATOM 673 CZ ARG A 30 16.909 6.541 8.787 1.00 0.00 C ATOM 674 NH1 ARG A 30 16.752 7.423 9.724 1.00 0.00 N ATOM 675 NH2 ARG A 30 17.545 6.845 7.703 1.00 0.00 N ATOM 0 H ARG A 30 14.191 4.629 4.576 1.00 0.00 H new ATOM 0 HA ARG A 30 14.414 2.252 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.830 4.904 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.070 3.838 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.686 4.307 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.892 5.864 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.369 5.922 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.645 4.202 9.250 1.00 0.00 H new ATOM 0 HE ARG A 30 17.046 4.583 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.252 7.176 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.128 8.364 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.668 6.146 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.923 7.784 7.580 1.00 0.00 H new ATOM 689 N ASP A 31 11.853 1.707 6.588 1.00 0.00 N ATOM 690 CA ASP A 31 10.526 1.065 6.382 1.00 0.00 C ATOM 691 C ASP A 31 9.428 2.119 6.592 1.00 0.00 C ATOM 692 O ASP A 31 9.666 3.170 7.163 1.00 0.00 O ATOM 693 CB ASP A 31 10.436 -0.034 7.447 1.00 0.00 C ATOM 694 CG ASP A 31 11.282 -1.244 7.045 1.00 0.00 C ATOM 695 OD1 ASP A 31 11.269 -1.598 5.877 1.00 0.00 O ATOM 696 OD2 ASP A 31 11.927 -1.802 7.924 1.00 0.00 O ATOM 0 H ASP A 31 12.249 1.593 7.521 1.00 0.00 H new ATOM 0 HA ASP A 31 10.404 0.652 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.778 0.353 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.397 -0.337 7.578 1.00 0.00 H new ATOM 701 N GLY A 32 8.235 1.853 6.139 1.00 0.00 N ATOM 702 CA GLY A 32 7.126 2.845 6.310 1.00 0.00 C ATOM 703 C GLY A 32 6.775 3.470 4.954 1.00 0.00 C ATOM 704 O GLY A 32 6.266 4.570 4.883 1.00 0.00 O ATOM 0 H GLY A 32 7.975 0.992 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.249 2.355 6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.426 3.623 7.012 1.00 0.00 H new ATOM 708 N ALA A 33 7.042 2.775 3.881 1.00 0.00 N ATOM 709 CA ALA A 33 6.723 3.320 2.531 1.00 0.00 C ATOM 710 C ALA A 33 5.475 2.631 1.962 1.00 0.00 C ATOM 711 O ALA A 33 5.475 1.440 1.701 1.00 0.00 O ATOM 712 CB ALA A 33 7.956 3.002 1.691 1.00 0.00 C ATOM 0 H ALA A 33 7.469 1.849 3.882 1.00 0.00 H new ATOM 0 HA ALA A 33 6.505 4.388 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.809 3.369 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.829 3.486 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.112 1.923 1.668 1.00 0.00 H new ATOM 718 N PHE A 34 4.413 3.374 1.776 1.00 0.00 N ATOM 719 CA PHE A 34 3.149 2.780 1.228 1.00 0.00 C ATOM 720 C PHE A 34 2.661 3.629 0.046 1.00 0.00 C ATOM 721 O PHE A 34 2.610 4.842 0.142 1.00 0.00 O ATOM 722 CB PHE A 34 2.132 2.838 2.383 1.00 0.00 C ATOM 723 CG PHE A 34 2.787 2.476 3.703 1.00 0.00 C ATOM 724 CD1 PHE A 34 2.860 1.139 4.107 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.314 3.482 4.523 1.00 0.00 C ATOM 726 CE1 PHE A 34 3.459 0.806 5.330 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.911 3.150 5.745 1.00 0.00 C ATOM 728 CZ PHE A 34 3.985 1.813 6.148 1.00 0.00 C ATOM 0 H PHE A 34 4.364 4.372 1.980 1.00 0.00 H new ATOM 0 HA PHE A 34 3.289 1.760 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.706 3.839 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.308 2.153 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.454 0.362 3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.260 4.515 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.515 -0.227 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.315 3.927 6.377 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.448 1.557 7.090 1.00 0.00 H new ATOM 738 N LEU A 35 2.295 3.022 -1.062 1.00 0.00 N ATOM 739 CA LEU A 35 1.821 3.839 -2.230 1.00 0.00 C ATOM 740 C LEU A 35 1.023 2.973 -3.223 1.00 0.00 C ATOM 741 O LEU A 35 1.467 1.919 -3.642 1.00 0.00 O ATOM 742 CB LEU A 35 3.112 4.372 -2.877 1.00 0.00 C ATOM 743 CG LEU A 35 2.933 5.839 -3.311 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.901 6.758 -2.092 1.00 0.00 C ATOM 745 CD2 LEU A 35 4.103 6.254 -4.208 1.00 0.00 C ATOM 0 H LEU A 35 2.303 2.012 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 35 1.149 4.642 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.939 4.294 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.372 3.760 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 35 1.991 5.926 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.774 7.790 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.070 6.477 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.837 6.664 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.976 7.292 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.038 6.150 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.129 5.615 -5.091 1.00 0.00 H new ATOM 757 N VAL A 36 -0.151 3.418 -3.605 1.00 0.00 N ATOM 758 CA VAL A 36 -0.987 2.631 -4.578 1.00 0.00 C ATOM 759 C VAL A 36 -1.060 3.368 -5.928 1.00 0.00 C ATOM 760 O VAL A 36 -1.290 4.561 -5.981 1.00 0.00 O ATOM 761 CB VAL A 36 -2.382 2.511 -3.936 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.275 1.788 -2.590 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.984 3.904 -3.716 1.00 0.00 C ATOM 0 H VAL A 36 -0.570 4.292 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.563 1.647 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.027 1.942 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.265 1.706 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.863 0.791 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.621 2.352 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.970 3.807 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.336 4.480 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.075 4.417 -4.674 1.00 0.00 H new ATOM 773 N ARG A 37 -0.862 2.671 -7.020 1.00 0.00 N ATOM 774 CA ARG A 37 -0.894 3.348 -8.362 1.00 0.00 C ATOM 775 C ARG A 37 -1.619 2.524 -9.434 1.00 0.00 C ATOM 776 O ARG A 37 -1.888 1.348 -9.268 1.00 0.00 O ATOM 777 CB ARG A 37 0.570 3.566 -8.742 1.00 0.00 C ATOM 778 CG ARG A 37 1.110 2.398 -9.583 1.00 0.00 C ATOM 779 CD ARG A 37 1.124 1.104 -8.758 1.00 0.00 C ATOM 780 NE ARG A 37 2.474 0.506 -9.022 1.00 0.00 N ATOM 781 CZ ARG A 37 2.969 -0.441 -8.270 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.697 -0.503 -7.001 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.735 -1.333 -8.808 1.00 0.00 N ATOM 0 H ARG A 37 -0.680 1.668 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.454 4.281 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.668 4.496 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.170 3.674 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.491 2.264 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.118 2.627 -9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.981 1.308 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.324 0.429 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 37 3.022 0.849 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.087 0.195 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.093 -1.250 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.945 -1.291 -9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.130 -2.079 -8.235 1.00 0.00 H new ATOM 797 N LYS A 38 -1.937 3.157 -10.535 1.00 0.00 N ATOM 798 CA LYS A 38 -2.659 2.460 -11.639 1.00 0.00 C ATOM 799 C LYS A 38 -1.694 1.582 -12.450 1.00 0.00 C ATOM 800 O LYS A 38 -0.482 1.687 -12.336 1.00 0.00 O ATOM 801 CB LYS A 38 -3.208 3.606 -12.506 1.00 0.00 C ATOM 802 CG LYS A 38 -4.276 3.080 -13.478 1.00 0.00 C ATOM 803 CD LYS A 38 -5.509 2.599 -12.704 1.00 0.00 C ATOM 804 CE LYS A 38 -6.728 2.610 -13.628 1.00 0.00 C ATOM 805 NZ LYS A 38 -7.698 1.657 -13.010 1.00 0.00 N ATOM 0 H LYS A 38 -1.724 4.138 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.442 1.796 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.637 4.379 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.395 4.069 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.561 3.867 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.867 2.261 -14.070 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.340 1.593 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.686 3.244 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.154 3.610 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.459 2.299 -14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.523 1.549 -13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.240 0.733 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.007 2.025 -12.088 1.00 0.00 H new ATOM 819 N ARG A 39 -2.238 0.701 -13.247 1.00 0.00 N ATOM 820 CA ARG A 39 -1.401 -0.226 -14.072 1.00 0.00 C ATOM 821 C ARG A 39 -1.884 -0.242 -15.531 1.00 0.00 C ATOM 822 O ARG A 39 -2.987 0.166 -15.830 1.00 0.00 O ATOM 823 CB ARG A 39 -1.582 -1.594 -13.425 1.00 0.00 C ATOM 824 CG ARG A 39 -0.253 -2.342 -13.450 1.00 0.00 C ATOM 825 CD ARG A 39 -0.468 -3.779 -12.993 1.00 0.00 C ATOM 826 NE ARG A 39 -1.491 -4.333 -13.927 1.00 0.00 N ATOM 827 CZ ARG A 39 -1.124 -4.997 -14.980 1.00 0.00 C ATOM 828 NH1 ARG A 39 -0.553 -4.382 -15.967 1.00 0.00 N ATOM 829 NH2 ARG A 39 -1.303 -6.278 -15.035 1.00 0.00 N ATOM 0 H ARG A 39 -3.244 0.581 -13.365 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.355 0.078 -14.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.930 -1.480 -12.398 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.343 -2.164 -13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.165 -2.328 -14.457 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.467 -1.846 -12.799 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.459 -4.351 -13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.815 -3.817 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.483 -4.189 -13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.392 -3.376 -15.916 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.265 -4.904 -16.795 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.733 -6.767 -14.250 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.014 -6.798 -15.863 1.00 0.00 H new ATOM 843 N ASN A 40 -1.050 -0.686 -16.439 1.00 0.00 N ATOM 844 CA ASN A 40 -1.442 -0.708 -17.890 1.00 0.00 C ATOM 845 C ASN A 40 -2.713 -1.547 -18.137 1.00 0.00 C ATOM 846 O ASN A 40 -3.539 -1.194 -18.959 1.00 0.00 O ATOM 847 CB ASN A 40 -0.256 -1.338 -18.622 1.00 0.00 C ATOM 848 CG ASN A 40 0.219 -0.408 -19.738 1.00 0.00 C ATOM 849 OD1 ASN A 40 -0.343 -0.386 -20.810 1.00 0.00 O ATOM 850 ND2 ASN A 40 1.238 0.366 -19.528 1.00 0.00 N ATOM 0 H ASN A 40 -0.112 -1.035 -16.241 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.669 0.299 -18.240 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.558 -1.525 -17.921 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.545 -2.303 -19.039 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.564 0.991 -20.265 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.713 0.350 -18.626 1.00 0.00 H new ATOM 857 N GLU A 41 -2.869 -2.657 -17.448 1.00 0.00 N ATOM 858 CA GLU A 41 -4.084 -3.515 -17.661 1.00 0.00 C ATOM 859 C GLU A 41 -5.357 -2.717 -17.313 1.00 0.00 C ATOM 860 O GLU A 41 -5.296 -1.756 -16.568 1.00 0.00 O ATOM 861 CB GLU A 41 -3.908 -4.727 -16.705 1.00 0.00 C ATOM 862 CG GLU A 41 -3.367 -5.975 -17.449 1.00 0.00 C ATOM 863 CD GLU A 41 -2.195 -5.609 -18.369 1.00 0.00 C ATOM 864 OE1 GLU A 41 -2.443 -5.092 -19.444 1.00 0.00 O ATOM 865 OE2 GLU A 41 -1.064 -5.868 -17.981 1.00 0.00 O ATOM 0 H GLU A 41 -2.211 -3.005 -16.751 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.186 -3.840 -18.696 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.223 -4.459 -15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.865 -4.967 -16.242 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.044 -6.722 -16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.167 -6.426 -18.037 1.00 0.00 H new ATOM 872 N PRO A 42 -6.478 -3.142 -17.853 1.00 0.00 N ATOM 873 CA PRO A 42 -7.763 -2.441 -17.577 1.00 0.00 C ATOM 874 C PRO A 42 -8.085 -2.531 -16.082 1.00 0.00 C ATOM 875 O PRO A 42 -7.783 -3.524 -15.444 1.00 0.00 O ATOM 876 CB PRO A 42 -8.776 -3.196 -18.441 1.00 0.00 C ATOM 877 CG PRO A 42 -8.156 -4.540 -18.654 1.00 0.00 C ATOM 878 CD PRO A 42 -6.671 -4.299 -18.737 1.00 0.00 C ATOM 0 HA PRO A 42 -7.753 -1.377 -17.812 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.741 -3.279 -17.941 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.950 -2.684 -19.388 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.397 -5.216 -17.834 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.529 -5.002 -19.568 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.101 -5.165 -18.400 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.352 -4.086 -19.757 1.00 0.00 H new ATOM 886 N ASN A 43 -8.659 -1.490 -15.510 1.00 0.00 N ATOM 887 CA ASN A 43 -8.960 -1.498 -14.037 1.00 0.00 C ATOM 888 C ASN A 43 -7.631 -1.641 -13.279 1.00 0.00 C ATOM 889 O ASN A 43 -7.007 -0.653 -12.920 1.00 0.00 O ATOM 890 CB ASN A 43 -9.864 -2.712 -13.807 1.00 0.00 C ATOM 891 CG ASN A 43 -11.224 -2.485 -14.480 1.00 0.00 C ATOM 892 OD1 ASN A 43 -11.335 -2.527 -15.688 1.00 0.00 O ATOM 893 ND2 ASN A 43 -12.270 -2.241 -13.747 1.00 0.00 N ATOM 0 H ASN A 43 -8.931 -0.638 -16.000 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.450 -0.588 -13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.394 -3.608 -14.211 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.000 -2.878 -12.738 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.177 -2.086 -14.188 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.184 -2.204 -12.731 1.00 0.00 H new ATOM 900 N SER A 44 -7.167 -2.859 -13.105 1.00 0.00 N ATOM 901 CA SER A 44 -5.848 -3.107 -12.453 1.00 0.00 C ATOM 902 C SER A 44 -5.588 -2.162 -11.264 1.00 0.00 C ATOM 903 O SER A 44 -6.478 -1.904 -10.474 1.00 0.00 O ATOM 904 CB SER A 44 -4.878 -2.882 -13.610 1.00 0.00 C ATOM 905 OG SER A 44 -3.880 -3.903 -13.594 1.00 0.00 O ATOM 0 H SER A 44 -7.660 -3.704 -13.395 1.00 0.00 H new ATOM 0 HA SER A 44 -5.763 -4.095 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.415 -2.897 -14.558 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.412 -1.900 -13.523 1.00 0.00 H new ATOM 0 HG SER A 44 -4.241 -4.720 -13.997 1.00 0.00 H new ATOM 911 N TYR A 45 -4.353 -1.702 -11.141 1.00 0.00 N ATOM 912 CA TYR A 45 -3.879 -0.806 -10.027 1.00 0.00 C ATOM 913 C TYR A 45 -2.981 -1.635 -9.098 1.00 0.00 C ATOM 914 O TYR A 45 -3.141 -2.834 -9.000 1.00 0.00 O ATOM 915 CB TYR A 45 -5.101 -0.250 -9.279 1.00 0.00 C ATOM 916 CG TYR A 45 -4.754 1.108 -8.771 1.00 0.00 C ATOM 917 CD1 TYR A 45 -4.172 1.260 -7.516 1.00 0.00 C ATOM 918 CD2 TYR A 45 -4.984 2.213 -9.581 1.00 0.00 C ATOM 919 CE1 TYR A 45 -3.815 2.530 -7.073 1.00 0.00 C ATOM 920 CE2 TYR A 45 -4.635 3.480 -9.142 1.00 0.00 C ATOM 921 CZ TYR A 45 -4.045 3.643 -7.888 1.00 0.00 C ATOM 922 OH TYR A 45 -3.687 4.902 -7.462 1.00 0.00 O ATOM 0 H TYR A 45 -3.617 -1.928 -11.810 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.306 0.038 -10.411 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.963 -0.199 -9.944 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.373 -0.907 -8.453 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.998 0.397 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.435 2.084 -10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.361 2.656 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.819 4.340 -9.769 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.942 4.834 -6.829 1.00 0.00 H new ATOM 932 N ALA A 46 -2.021 -1.033 -8.442 1.00 0.00 N ATOM 933 CA ALA A 46 -1.121 -1.845 -7.562 1.00 0.00 C ATOM 934 C ALA A 46 -0.770 -1.117 -6.252 1.00 0.00 C ATOM 935 O ALA A 46 -0.656 0.095 -6.209 1.00 0.00 O ATOM 936 CB ALA A 46 0.131 -2.089 -8.412 1.00 0.00 C ATOM 0 H ALA A 46 -1.822 -0.033 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.602 -2.771 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.848 -2.680 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.144 -2.628 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.581 -1.133 -8.680 1.00 0.00 H new ATOM 942 N ILE A 47 -0.595 -1.872 -5.188 1.00 0.00 N ATOM 943 CA ILE A 47 -0.243 -1.280 -3.850 1.00 0.00 C ATOM 944 C ILE A 47 1.246 -1.524 -3.539 1.00 0.00 C ATOM 945 O ILE A 47 1.657 -2.652 -3.331 1.00 0.00 O ATOM 946 CB ILE A 47 -1.097 -2.052 -2.832 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.599 -1.951 -3.188 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.845 -1.501 -1.430 1.00 0.00 C ATOM 949 CD1 ILE A 47 -3.458 -1.905 -1.920 1.00 0.00 C ATOM 0 H ILE A 47 -0.682 -2.888 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.423 -0.205 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.813 -3.104 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.776 -1.057 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.891 -2.805 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.451 -2.049 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.209 -1.615 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.113 -0.445 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.510 -1.834 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.296 -2.812 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.180 -1.036 -1.323 1.00 0.00 H new ATOM 961 N SER A 48 2.053 -0.491 -3.488 1.00 0.00 N ATOM 962 CA SER A 48 3.508 -0.688 -3.171 1.00 0.00 C ATOM 963 C SER A 48 3.735 -0.576 -1.659 1.00 0.00 C ATOM 964 O SER A 48 3.735 0.503 -1.096 1.00 0.00 O ATOM 965 CB SER A 48 4.252 0.416 -3.921 1.00 0.00 C ATOM 966 OG SER A 48 5.103 -0.185 -4.898 1.00 0.00 O ATOM 0 H SER A 48 1.771 0.476 -3.651 1.00 0.00 H new ATOM 0 HA SER A 48 3.863 -1.673 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.543 1.090 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.840 1.015 -3.225 1.00 0.00 H new ATOM 0 HG SER A 48 6.038 -0.086 -4.622 1.00 0.00 H new ATOM 972 N PHE A 49 3.902 -1.696 -1.001 1.00 0.00 N ATOM 973 CA PHE A 49 4.096 -1.696 0.484 1.00 0.00 C ATOM 974 C PHE A 49 5.499 -2.209 0.871 1.00 0.00 C ATOM 975 O PHE A 49 5.948 -3.242 0.403 1.00 0.00 O ATOM 976 CB PHE A 49 3.003 -2.656 0.962 1.00 0.00 C ATOM 977 CG PHE A 49 2.823 -2.596 2.461 1.00 0.00 C ATOM 978 CD1 PHE A 49 3.696 -3.296 3.301 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.762 -1.865 3.008 1.00 0.00 C ATOM 980 CE1 PHE A 49 3.512 -3.260 4.687 1.00 0.00 C ATOM 981 CE2 PHE A 49 1.576 -1.832 4.395 1.00 0.00 C ATOM 982 CZ PHE A 49 2.451 -2.528 5.235 1.00 0.00 C ATOM 0 H PHE A 49 3.912 -2.620 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 49 4.028 -0.703 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.061 -2.408 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.258 -3.674 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.512 -3.864 2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.087 -1.326 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.189 -3.797 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.756 -1.269 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.309 -2.501 6.305 1.00 0.00 H new ATOM 992 N ARG A 50 6.185 -1.492 1.736 1.00 0.00 N ATOM 993 CA ARG A 50 7.552 -1.925 2.181 1.00 0.00 C ATOM 994 C ARG A 50 7.522 -2.253 3.680 1.00 0.00 C ATOM 995 O ARG A 50 7.315 -1.385 4.506 1.00 0.00 O ATOM 996 CB ARG A 50 8.467 -0.714 1.903 1.00 0.00 C ATOM 997 CG ARG A 50 9.836 -0.905 2.577 1.00 0.00 C ATOM 998 CD ARG A 50 10.861 0.019 1.906 1.00 0.00 C ATOM 999 NE ARG A 50 11.812 0.421 2.991 1.00 0.00 N ATOM 1000 CZ ARG A 50 12.911 -0.245 3.172 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.959 0.046 2.476 1.00 0.00 N ATOM 1002 NH2 ARG A 50 12.967 -1.181 4.062 1.00 0.00 N ATOM 0 H ARG A 50 5.854 -0.622 2.154 1.00 0.00 H new ATOM 0 HA ARG A 50 7.902 -2.817 1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.599 -0.590 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.997 0.197 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.766 -0.679 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.155 -1.944 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.382 -0.495 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.375 0.891 1.468 1.00 0.00 H new ATOM 0 HE ARG A 50 11.596 1.219 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.921 0.797 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.825 -0.475 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.145 -1.399 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.833 -1.702 4.201 1.00 0.00 H new ATOM 1016 N ALA A 51 7.729 -3.497 4.036 1.00 0.00 N ATOM 1017 CA ALA A 51 7.710 -3.879 5.483 1.00 0.00 C ATOM 1018 C ALA A 51 9.106 -4.330 5.933 1.00 0.00 C ATOM 1019 O ALA A 51 9.971 -4.608 5.122 1.00 0.00 O ATOM 1020 CB ALA A 51 6.709 -5.035 5.576 1.00 0.00 C ATOM 0 H ALA A 51 7.910 -4.264 3.388 1.00 0.00 H new ATOM 0 HA ALA A 51 7.427 -3.046 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.638 -5.373 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.730 -4.697 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.046 -5.859 4.947 1.00 0.00 H new ATOM 1026 N GLU A 52 9.337 -4.404 7.220 1.00 0.00 N ATOM 1027 CA GLU A 52 10.686 -4.833 7.707 1.00 0.00 C ATOM 1028 C GLU A 52 10.994 -6.271 7.267 1.00 0.00 C ATOM 1029 O GLU A 52 10.426 -7.229 7.759 1.00 0.00 O ATOM 1030 CB GLU A 52 10.662 -4.693 9.237 1.00 0.00 C ATOM 1031 CG GLU A 52 9.467 -5.427 9.879 1.00 0.00 C ATOM 1032 CD GLU A 52 9.612 -5.390 11.405 1.00 0.00 C ATOM 1033 OE1 GLU A 52 10.434 -4.622 11.889 1.00 0.00 O ATOM 1034 OE2 GLU A 52 8.895 -6.125 12.066 1.00 0.00 O ATOM 0 H GLU A 52 8.657 -4.188 7.949 1.00 0.00 H new ATOM 0 HA GLU A 52 11.477 -4.215 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.591 -5.088 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.620 -3.636 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.531 -4.955 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.429 -6.459 9.530 1.00 0.00 H new ATOM 1041 N GLY A 53 11.892 -6.417 6.322 1.00 0.00 N ATOM 1042 CA GLY A 53 12.252 -7.777 5.817 1.00 0.00 C ATOM 1043 C GLY A 53 11.185 -8.287 4.836 1.00 0.00 C ATOM 1044 O GLY A 53 11.152 -9.462 4.524 1.00 0.00 O ATOM 0 H GLY A 53 12.393 -5.648 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.223 -7.742 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.345 -8.469 6.654 1.00 0.00 H new ATOM 1048 N LYS A 54 10.310 -7.430 4.344 1.00 0.00 N ATOM 1049 CA LYS A 54 9.262 -7.916 3.390 1.00 0.00 C ATOM 1050 C LYS A 54 8.783 -6.798 2.449 1.00 0.00 C ATOM 1051 O LYS A 54 8.366 -5.738 2.877 1.00 0.00 O ATOM 1052 CB LYS A 54 8.116 -8.402 4.280 1.00 0.00 C ATOM 1053 CG LYS A 54 8.195 -9.926 4.422 1.00 0.00 C ATOM 1054 CD LYS A 54 6.796 -10.533 4.281 1.00 0.00 C ATOM 1055 CE LYS A 54 6.264 -10.943 5.659 1.00 0.00 C ATOM 1056 NZ LYS A 54 5.917 -9.664 6.341 1.00 0.00 N ATOM 0 H LYS A 54 10.279 -6.434 4.560 1.00 0.00 H new ATOM 0 HA LYS A 54 9.648 -8.702 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.177 -7.930 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.158 -8.115 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.858 -10.337 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.620 -10.189 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.121 -9.811 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.831 -11.401 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.391 -11.590 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.015 -11.498 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.437 -9.869 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.786 -9.123 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.286 -9.106 5.732 1.00 0.00 H new ATOM 1070 N ILE A 55 8.833 -7.051 1.164 1.00 0.00 N ATOM 1071 CA ILE A 55 8.374 -6.043 0.158 1.00 0.00 C ATOM 1072 C ILE A 55 7.714 -6.763 -1.027 1.00 0.00 C ATOM 1073 O ILE A 55 8.342 -7.558 -1.703 1.00 0.00 O ATOM 1074 CB ILE A 55 9.638 -5.308 -0.291 1.00 0.00 C ATOM 1075 CG1 ILE A 55 9.805 -4.059 0.567 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.509 -4.884 -1.760 1.00 0.00 C ATOM 1077 CD1 ILE A 55 11.169 -3.445 0.301 1.00 0.00 C ATOM 0 H ILE A 55 9.177 -7.924 0.765 1.00 0.00 H new ATOM 0 HA ILE A 55 7.639 -5.351 0.569 1.00 0.00 H new ATOM 0 HB ILE A 55 10.498 -5.969 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.019 -3.339 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.708 -4.313 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.414 -4.362 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.369 -5.768 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.651 -4.221 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.291 -2.551 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.947 -4.166 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.248 -3.177 -0.752 1.00 0.00 H new ATOM 1089 N LYS A 56 6.462 -6.501 -1.289 1.00 0.00 N ATOM 1090 CA LYS A 56 5.793 -7.184 -2.440 1.00 0.00 C ATOM 1091 C LYS A 56 4.558 -6.399 -2.903 1.00 0.00 C ATOM 1092 O LYS A 56 3.756 -5.955 -2.105 1.00 0.00 O ATOM 1093 CB LYS A 56 5.400 -8.576 -1.916 1.00 0.00 C ATOM 1094 CG LYS A 56 4.445 -8.447 -0.722 1.00 0.00 C ATOM 1095 CD LYS A 56 3.258 -9.402 -0.903 1.00 0.00 C ATOM 1096 CE LYS A 56 1.967 -8.714 -0.442 1.00 0.00 C ATOM 1097 NZ LYS A 56 0.851 -9.575 -0.951 1.00 0.00 N ATOM 0 H LYS A 56 5.877 -5.851 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 56 6.450 -7.252 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.923 -9.150 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.293 -9.125 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.972 -8.678 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.089 -7.420 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.171 -9.696 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.421 -10.314 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.934 -8.630 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.897 -7.703 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.447 -9.149 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.218 -10.522 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.112 -9.652 -0.223 1.00 0.00 H new ATOM 1111 N HIS A 57 4.397 -6.237 -4.192 1.00 0.00 N ATOM 1112 CA HIS A 57 3.206 -5.500 -4.717 1.00 0.00 C ATOM 1113 C HIS A 57 2.807 -6.056 -6.094 1.00 0.00 C ATOM 1114 O HIS A 57 3.535 -6.818 -6.698 1.00 0.00 O ATOM 1115 CB HIS A 57 3.601 -4.012 -4.764 1.00 0.00 C ATOM 1116 CG HIS A 57 4.742 -3.752 -5.721 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.342 -2.502 -5.819 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.396 -4.549 -6.629 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.305 -2.587 -6.754 1.00 0.00 C ATOM 1120 NE2 HIS A 57 6.379 -3.811 -7.277 1.00 0.00 N ATOM 0 H HIS A 57 5.039 -6.583 -4.905 1.00 0.00 H new ATOM 0 HA HIS A 57 2.329 -5.624 -4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.737 -3.418 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.885 -3.682 -3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.097 -1.672 -5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.179 -5.591 -6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.941 -1.764 -7.046 1.00 0.00 H new ATOM 1128 N CYS A 58 1.636 -5.711 -6.564 1.00 0.00 N ATOM 1129 CA CYS A 58 1.152 -6.249 -7.881 1.00 0.00 C ATOM 1130 C CYS A 58 -0.186 -5.594 -8.294 1.00 0.00 C ATOM 1131 O CYS A 58 -0.584 -4.592 -7.743 1.00 0.00 O ATOM 1132 CB CYS A 58 0.983 -7.748 -7.649 1.00 0.00 C ATOM 1133 SG CYS A 58 2.362 -8.653 -8.399 1.00 0.00 S ATOM 0 H CYS A 58 0.989 -5.078 -6.094 1.00 0.00 H new ATOM 0 HA CYS A 58 1.849 -6.036 -8.692 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.940 -7.956 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.040 -8.086 -8.078 1.00 0.00 H new ATOM 0 HG CYS A 58 3.484 -8.221 -7.905 1.00 0.00 H new ATOM 1139 N ARG A 59 -0.857 -6.139 -9.286 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.145 -5.535 -9.777 1.00 0.00 C ATOM 1141 C ARG A 59 -3.374 -5.945 -8.942 1.00 0.00 C ATOM 1142 O ARG A 59 -3.431 -6.990 -8.338 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.259 -6.033 -11.239 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.699 -6.460 -11.594 1.00 0.00 C ATOM 1145 CD ARG A 59 -4.042 -7.777 -10.888 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.440 -8.729 -11.968 1.00 0.00 N ATOM 1147 CZ ARG A 59 -5.622 -9.269 -11.948 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -5.842 -10.342 -11.251 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -6.581 -8.735 -12.632 1.00 0.00 N ATOM 0 H ARG A 59 -0.566 -6.982 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.128 -4.448 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.938 -5.243 -11.917 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.584 -6.875 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.402 -5.683 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.797 -6.580 -12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.186 -8.155 -10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.852 -7.637 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.787 -8.954 -12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.085 -10.766 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.772 -10.761 -11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.408 -7.895 -13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.511 -9.154 -12.620 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.369 -5.103 -8.955 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.649 -5.367 -8.227 1.00 0.00 C ATOM 1165 C VAL A 60 -6.806 -5.079 -9.191 1.00 0.00 C ATOM 1166 O VAL A 60 -6.624 -4.397 -10.173 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.657 -4.373 -7.053 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -5.501 -2.947 -7.575 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -6.981 -4.462 -6.298 1.00 0.00 C ATOM 0 H VAL A 60 -4.350 -4.214 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.746 -6.392 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.830 -4.623 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.508 -2.250 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.558 -2.858 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.326 -2.713 -8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.976 -3.754 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.802 -4.223 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.112 -5.473 -5.911 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.984 -5.577 -8.952 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.090 -5.268 -9.903 1.00 0.00 C ATOM 1181 C GLN A 61 -9.971 -4.160 -9.321 1.00 0.00 C ATOM 1182 O GLN A 61 -10.703 -4.363 -8.369 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.862 -6.577 -10.078 1.00 0.00 C ATOM 1184 CG GLN A 61 -9.578 -7.132 -11.481 1.00 0.00 C ATOM 1185 CD GLN A 61 -9.709 -8.658 -11.485 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -8.783 -9.355 -11.850 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -10.823 -9.211 -11.105 1.00 0.00 N ATOM 0 H GLN A 61 -8.229 -6.171 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.729 -4.907 -10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.560 -7.298 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.931 -6.406 -9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.274 -6.698 -12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.575 -6.845 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.602 -8.629 -10.798 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.917 -10.227 -11.114 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.898 -2.985 -9.891 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.722 -1.848 -9.383 1.00 0.00 C ATOM 1198 C GLN A 62 -12.106 -1.885 -10.044 1.00 0.00 C ATOM 1199 O GLN A 62 -12.219 -1.855 -11.255 1.00 0.00 O ATOM 1200 CB GLN A 62 -9.927 -0.576 -9.765 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.829 0.440 -10.488 1.00 0.00 C ATOM 1202 CD GLN A 62 -10.164 1.821 -10.515 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -9.060 1.976 -11.006 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -10.796 2.843 -10.016 1.00 0.00 N ATOM 0 H GLN A 62 -9.302 -2.764 -10.688 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.895 -1.886 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.507 -0.122 -8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.089 -0.846 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.024 0.103 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.793 0.503 -9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.721 2.719 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.367 3.768 -10.037 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.157 -1.961 -9.266 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.525 -2.003 -9.870 1.00 0.00 C ATOM 1215 C GLU A 63 -15.440 -1.002 -9.161 1.00 0.00 C ATOM 1216 O GLU A 63 -15.378 -0.849 -7.951 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.005 -3.451 -9.652 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.540 -3.505 -9.512 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.198 -3.446 -10.894 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -17.008 -2.456 -11.583 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -17.892 -4.388 -11.234 1.00 0.00 O ATOM 0 H GLU A 63 -13.128 -1.996 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.530 -1.733 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.690 -4.073 -10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.539 -3.862 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.834 -4.421 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.886 -2.672 -8.900 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.310 -0.339 -9.887 1.00 0.00 N ATOM 1229 CA GLY A 64 -17.238 0.612 -9.211 1.00 0.00 C ATOM 1230 C GLY A 64 -18.286 -0.234 -8.501 1.00 0.00 C ATOM 1231 O GLY A 64 -19.351 -0.488 -9.027 1.00 0.00 O ATOM 0 H GLY A 64 -16.414 -0.415 -10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.700 1.239 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.705 1.279 -9.936 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.950 -0.678 -7.314 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.842 -1.556 -6.487 1.00 0.00 C ATOM 1237 C GLN A 65 -17.974 -2.298 -5.461 1.00 0.00 C ATOM 1238 O GLN A 65 -18.330 -2.419 -4.303 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.485 -2.572 -7.448 1.00 0.00 C ATOM 1240 CG GLN A 65 -21.000 -2.336 -7.512 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.691 -3.544 -8.150 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.564 -4.139 -7.557 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -21.337 -3.935 -9.340 1.00 0.00 N ATOM 0 H GLN A 65 -17.060 -0.460 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.607 -0.981 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.049 -2.473 -8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.279 -3.588 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.393 -2.169 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.212 -1.437 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.603 -3.437 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.794 -4.739 -9.770 1.00 0.00 H new ATOM 1252 N THR A 66 -16.825 -2.797 -5.884 1.00 0.00 N ATOM 1253 CA THR A 66 -15.917 -3.533 -4.940 1.00 0.00 C ATOM 1254 C THR A 66 -14.551 -3.833 -5.598 1.00 0.00 C ATOM 1255 O THR A 66 -14.432 -4.716 -6.427 1.00 0.00 O ATOM 1256 CB THR A 66 -16.657 -4.847 -4.605 1.00 0.00 C ATOM 1257 OG1 THR A 66 -17.593 -4.625 -3.552 1.00 0.00 O ATOM 1258 CG2 THR A 66 -15.659 -5.918 -4.152 1.00 0.00 C ATOM 0 H THR A 66 -16.481 -2.724 -6.842 1.00 0.00 H new ATOM 0 HA THR A 66 -15.705 -2.942 -4.049 1.00 0.00 H new ATOM 0 HB THR A 66 -17.177 -5.184 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.767 -3.664 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.194 -6.839 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.941 -6.107 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.131 -5.571 -3.264 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.520 -3.118 -5.219 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.156 -3.375 -5.793 1.00 0.00 C ATOM 1268 C VAL A 67 -11.601 -4.694 -5.219 1.00 0.00 C ATOM 1269 O VAL A 67 -11.910 -5.070 -4.101 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.302 -2.183 -5.329 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.858 -2.350 -5.810 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.878 -0.879 -5.893 1.00 0.00 C ATOM 0 H VAL A 67 -13.562 -2.363 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.163 -3.468 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.315 -2.146 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.263 -1.500 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.441 -3.269 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.841 -2.399 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.269 -0.038 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.875 -0.921 -6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.900 -0.749 -5.538 1.00 0.00 H new ATOM 1282 N MET A 68 -10.801 -5.417 -5.965 1.00 0.00 N ATOM 1283 CA MET A 68 -10.279 -6.711 -5.423 1.00 0.00 C ATOM 1284 C MET A 68 -8.846 -7.018 -5.868 1.00 0.00 C ATOM 1285 O MET A 68 -8.536 -7.052 -7.045 1.00 0.00 O ATOM 1286 CB MET A 68 -11.234 -7.774 -5.980 1.00 0.00 C ATOM 1287 CG MET A 68 -10.774 -9.172 -5.554 1.00 0.00 C ATOM 1288 SD MET A 68 -11.924 -10.405 -6.211 1.00 0.00 S ATOM 1289 CE MET A 68 -11.675 -11.656 -4.927 1.00 0.00 C ATOM 0 H MET A 68 -10.492 -5.174 -6.906 1.00 0.00 H new ATOM 0 HA MET A 68 -10.241 -6.680 -4.334 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.246 -7.590 -5.619 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.267 -7.710 -7.068 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.767 -9.364 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.733 -9.239 -4.467 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.566 -12.279 -4.848 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.819 -12.279 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.490 -11.165 -3.972 1.00 0.00 H new ATOM 1299 N LEU A 69 -7.985 -7.300 -4.924 1.00 0.00 N ATOM 1300 CA LEU A 69 -6.580 -7.682 -5.268 1.00 0.00 C ATOM 1301 C LEU A 69 -6.573 -9.180 -5.607 1.00 0.00 C ATOM 1302 O LEU A 69 -7.614 -9.809 -5.658 1.00 0.00 O ATOM 1303 CB LEU A 69 -5.765 -7.443 -3.990 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.285 -5.993 -3.920 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -6.420 -5.109 -3.409 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.103 -5.897 -2.947 1.00 0.00 C ATOM 0 H LEU A 69 -8.194 -7.282 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.177 -7.118 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.374 -7.673 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.908 -8.117 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.977 -5.663 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.081 -4.074 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.270 -5.179 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.721 -5.441 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.758 -4.864 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.419 -6.225 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.291 -6.534 -3.297 1.00 0.00 H new ATOM 1318 N GLY A 70 -5.430 -9.776 -5.814 1.00 0.00 N ATOM 1319 CA GLY A 70 -5.425 -11.238 -6.111 1.00 0.00 C ATOM 1320 C GLY A 70 -5.338 -11.985 -4.778 1.00 0.00 C ATOM 1321 O GLY A 70 -4.273 -12.350 -4.325 1.00 0.00 O ATOM 0 H GLY A 70 -4.515 -9.325 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.329 -11.522 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.580 -11.495 -6.749 1.00 0.00 H new ATOM 1325 N ASN A 71 -6.480 -12.194 -4.158 1.00 0.00 N ATOM 1326 CA ASN A 71 -6.567 -12.901 -2.830 1.00 0.00 C ATOM 1327 C ASN A 71 -7.904 -12.542 -2.165 1.00 0.00 C ATOM 1328 O ASN A 71 -8.669 -13.404 -1.787 1.00 0.00 O ATOM 1329 CB ASN A 71 -5.393 -12.382 -1.971 1.00 0.00 C ATOM 1330 CG ASN A 71 -5.594 -12.758 -0.493 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -6.509 -12.286 0.154 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -4.769 -13.588 0.077 1.00 0.00 N ATOM 0 H ASN A 71 -7.383 -11.895 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.512 -13.984 -2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.456 -12.803 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.315 -11.299 -2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.893 -13.837 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.998 -13.989 -0.458 1.00 0.00 H new ATOM 1339 N SER A 72 -8.179 -11.266 -2.021 1.00 0.00 N ATOM 1340 CA SER A 72 -9.459 -10.829 -1.375 1.00 0.00 C ATOM 1341 C SER A 72 -10.017 -9.567 -2.051 1.00 0.00 C ATOM 1342 O SER A 72 -9.315 -8.859 -2.756 1.00 0.00 O ATOM 1343 CB SER A 72 -9.083 -10.512 0.074 1.00 0.00 C ATOM 1344 OG SER A 72 -8.790 -11.720 0.769 1.00 0.00 O ATOM 0 H SER A 72 -7.570 -10.506 -2.324 1.00 0.00 H new ATOM 0 HA SER A 72 -10.227 -11.598 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.219 -9.848 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.902 -9.988 0.566 1.00 0.00 H new ATOM 0 HG SER A 72 -7.831 -11.911 0.703 1.00 0.00 H new ATOM 1350 N GLU A 73 -11.274 -9.279 -1.824 1.00 0.00 N ATOM 1351 CA GLU A 73 -11.904 -8.060 -2.425 1.00 0.00 C ATOM 1352 C GLU A 73 -12.304 -7.070 -1.317 1.00 0.00 C ATOM 1353 O GLU A 73 -12.645 -7.463 -0.218 1.00 0.00 O ATOM 1354 CB GLU A 73 -13.135 -8.569 -3.194 1.00 0.00 C ATOM 1355 CG GLU A 73 -14.080 -9.340 -2.255 1.00 0.00 C ATOM 1356 CD GLU A 73 -13.812 -10.843 -2.361 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -14.408 -11.472 -3.218 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -13.012 -11.337 -1.579 1.00 0.00 O ATOM 0 H GLU A 73 -11.897 -9.840 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.222 -7.526 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.665 -7.728 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.818 -9.217 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.935 -9.008 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.117 -9.128 -2.515 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.252 -5.787 -1.595 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.615 -4.775 -0.550 1.00 0.00 C ATOM 1367 C PHE A 74 -13.121 -3.475 -1.188 1.00 0.00 C ATOM 1368 O PHE A 74 -13.075 -3.310 -2.394 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.312 -4.523 0.206 1.00 0.00 C ATOM 1370 CG PHE A 74 -11.281 -5.389 1.437 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -12.405 -5.466 2.264 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.134 -6.123 1.741 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -12.385 -6.283 3.400 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -10.108 -6.939 2.879 1.00 0.00 C ATOM 1375 CZ PHE A 74 -11.235 -7.020 3.709 1.00 0.00 C ATOM 0 H PHE A 74 -11.975 -5.399 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.417 -5.129 0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.457 -4.747 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.236 -3.472 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.290 -4.894 2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.267 -6.062 1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.255 -6.345 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.220 -7.506 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.216 -7.650 4.586 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.582 -2.531 -0.401 1.00 0.00 N ATOM 1386 CA ASP A 75 -14.047 -1.261 -1.017 1.00 0.00 C ATOM 1387 C ASP A 75 -12.822 -0.378 -1.274 1.00 0.00 C ATOM 1388 O ASP A 75 -12.300 0.276 -0.393 1.00 0.00 O ATOM 1389 CB ASP A 75 -14.980 -0.632 0.028 1.00 0.00 C ATOM 1390 CG ASP A 75 -15.623 0.631 -0.543 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -16.229 0.540 -1.598 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -15.497 1.668 0.085 1.00 0.00 O ATOM 0 H ASP A 75 -13.653 -2.587 0.615 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.564 -1.396 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.752 -1.346 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.419 -0.389 0.930 1.00 0.00 H new ATOM 1397 N SER A 76 -12.378 -0.374 -2.500 1.00 0.00 N ATOM 1398 CA SER A 76 -11.172 0.419 -2.914 1.00 0.00 C ATOM 1399 C SER A 76 -9.917 -0.096 -2.196 1.00 0.00 C ATOM 1400 O SER A 76 -9.989 -0.674 -1.129 1.00 0.00 O ATOM 1401 CB SER A 76 -11.454 1.873 -2.529 1.00 0.00 C ATOM 1402 OG SER A 76 -10.302 2.655 -2.825 1.00 0.00 O ATOM 0 H SER A 76 -12.810 -0.901 -3.259 1.00 0.00 H new ATOM 0 HA SER A 76 -10.989 0.326 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.317 2.249 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.696 1.943 -1.469 1.00 0.00 H new ATOM 0 HG SER A 76 -10.471 3.590 -2.584 1.00 0.00 H new ATOM 1408 N LEU A 77 -8.757 0.122 -2.765 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.498 -0.344 -2.093 1.00 0.00 C ATOM 1410 C LEU A 77 -7.427 0.264 -0.685 1.00 0.00 C ATOM 1411 O LEU A 77 -6.892 -0.325 0.243 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.354 0.169 -2.973 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.445 -0.487 -4.351 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.408 0.591 -5.432 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -5.263 -1.431 -4.541 1.00 0.00 C ATOM 0 H LEU A 77 -8.625 0.598 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.451 -1.427 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.411 1.253 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.394 -0.060 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.377 -1.047 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.473 0.123 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.250 1.270 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.475 1.150 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.326 -1.900 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.332 -0.868 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.284 -2.201 -3.769 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.003 1.432 -0.520 1.00 0.00 N ATOM 1428 CA VAL A 78 -8.024 2.101 0.811 1.00 0.00 C ATOM 1429 C VAL A 78 -8.616 1.174 1.880 1.00 0.00 C ATOM 1430 O VAL A 78 -8.313 1.306 3.040 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.929 3.325 0.618 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.360 2.880 0.275 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.965 4.139 1.908 1.00 0.00 C ATOM 0 H VAL A 78 -8.465 1.954 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.022 2.367 1.147 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.531 3.929 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.992 3.758 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.349 2.297 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.755 2.269 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.608 5.009 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.356 3.522 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.957 4.469 2.158 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.462 0.252 1.500 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.080 -0.665 2.499 1.00 0.00 C ATOM 1445 C ASP A 79 -9.012 -1.563 3.148 1.00 0.00 C ATOM 1446 O ASP A 79 -8.603 -1.327 4.274 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.091 -1.488 1.702 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.091 -2.174 2.644 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -11.772 -2.352 3.809 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -13.164 -2.515 2.176 1.00 0.00 O ATOM 0 H ASP A 79 -9.752 0.095 0.535 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.556 -0.126 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.624 -0.842 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.570 -2.238 1.107 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.557 -2.592 2.461 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.521 -3.488 3.077 1.00 0.00 C ATOM 1457 C LEU A 80 -6.291 -2.672 3.509 1.00 0.00 C ATOM 1458 O LEU A 80 -5.682 -2.957 4.528 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.144 -4.608 2.070 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.209 -4.164 0.598 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.017 -3.270 0.253 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -7.161 -5.408 -0.291 1.00 0.00 C ATOM 0 H LEU A 80 -8.853 -2.845 1.518 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.928 -3.956 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.136 -4.958 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.814 -5.455 2.215 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.131 -3.605 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.080 -2.966 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.029 -2.385 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.090 -3.821 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.206 -5.109 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.233 -5.950 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.009 -6.053 -0.061 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.938 -1.634 2.781 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.768 -0.803 3.211 1.00 0.00 C ATOM 1476 C ILE A 81 -5.125 -0.081 4.518 1.00 0.00 C ATOM 1477 O ILE A 81 -4.331 -0.019 5.442 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.515 0.191 2.067 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -3.845 -0.530 0.890 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.590 1.313 2.541 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.729 -1.448 1.401 1.00 0.00 C ATOM 0 H ILE A 81 -6.401 -1.332 1.924 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.873 -1.396 3.401 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.472 0.609 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.585 -1.114 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.435 0.200 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.417 2.012 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.054 1.839 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.639 0.889 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.260 -1.955 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.982 -0.854 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.150 -2.189 2.081 1.00 0.00 H new ATOM 1493 N SER A 82 -6.328 0.437 4.616 1.00 0.00 N ATOM 1494 CA SER A 82 -6.743 1.119 5.879 1.00 0.00 C ATOM 1495 C SER A 82 -6.667 0.118 7.029 1.00 0.00 C ATOM 1496 O SER A 82 -6.139 0.409 8.087 1.00 0.00 O ATOM 1497 CB SER A 82 -8.184 1.574 5.666 1.00 0.00 C ATOM 1498 OG SER A 82 -8.178 2.806 4.958 1.00 0.00 O ATOM 0 H SER A 82 -7.034 0.416 3.880 1.00 0.00 H new ATOM 0 HA SER A 82 -6.101 1.966 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.738 0.820 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.687 1.693 6.625 1.00 0.00 H new ATOM 0 HG SER A 82 -7.939 2.644 4.022 1.00 0.00 H new ATOM 1504 N TYR A 83 -7.172 -1.075 6.806 1.00 0.00 N ATOM 1505 CA TYR A 83 -7.114 -2.133 7.860 1.00 0.00 C ATOM 1506 C TYR A 83 -5.657 -2.324 8.295 1.00 0.00 C ATOM 1507 O TYR A 83 -5.348 -2.358 9.472 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.640 -3.402 7.181 1.00 0.00 C ATOM 1509 CG TYR A 83 -9.126 -3.532 7.416 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -10.024 -2.834 6.604 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.604 -4.356 8.442 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -11.401 -2.958 6.813 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.983 -4.480 8.651 1.00 0.00 C ATOM 1514 CZ TYR A 83 -11.880 -3.781 7.836 1.00 0.00 C ATOM 1515 OH TYR A 83 -13.241 -3.902 8.046 1.00 0.00 O ATOM 0 H TYR A 83 -7.622 -1.359 5.936 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.697 -1.882 8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.434 -3.365 6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.123 -4.277 7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.654 -2.198 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.911 -4.895 9.071 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -12.094 -2.418 6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.354 -5.115 9.441 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.403 -4.513 8.795 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.760 -2.431 7.343 1.00 0.00 N ATOM 1526 CA TYR A 84 -3.310 -2.604 7.676 1.00 0.00 C ATOM 1527 C TYR A 84 -2.751 -1.341 8.361 1.00 0.00 C ATOM 1528 O TYR A 84 -1.990 -1.438 9.304 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.622 -2.843 6.331 1.00 0.00 C ATOM 1530 CG TYR A 84 -1.465 -3.807 6.500 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -0.493 -3.586 7.490 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -1.357 -4.915 5.652 1.00 0.00 C ATOM 1533 CE1 TYR A 84 0.583 -4.473 7.624 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -0.283 -5.803 5.792 1.00 0.00 C ATOM 1535 CZ TYR A 84 0.687 -5.580 6.776 1.00 0.00 C ATOM 1536 OH TYR A 84 1.753 -6.446 6.905 1.00 0.00 O ATOM 0 H TYR A 84 -4.971 -2.406 6.345 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.145 -3.427 8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.338 -3.245 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.261 -1.898 5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.575 -2.733 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.102 -5.085 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.332 -4.302 8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.203 -6.660 5.140 1.00 0.00 H new ATOM 0 HH TYR A 84 2.200 -6.289 7.763 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.123 -0.156 7.916 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.597 1.083 8.589 1.00 0.00 C ATOM 1548 C GLU A 85 -2.981 1.054 10.066 1.00 0.00 C ATOM 1549 O GLU A 85 -2.196 1.369 10.939 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.278 2.271 7.896 1.00 0.00 C ATOM 1551 CG GLU A 85 -2.649 3.589 8.397 1.00 0.00 C ATOM 1552 CD GLU A 85 -3.400 4.140 9.616 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -4.575 3.841 9.768 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -2.789 4.872 10.378 1.00 0.00 O ATOM 0 H GLU A 85 -3.755 0.005 7.132 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.512 1.154 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.164 2.189 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.348 2.263 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.604 3.419 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.662 4.328 7.596 1.00 0.00 H new ATOM 1561 N LYS A 86 -4.192 0.666 10.335 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.677 0.596 11.738 1.00 0.00 C ATOM 1563 C LYS A 86 -4.105 -0.656 12.440 1.00 0.00 C ATOM 1564 O LYS A 86 -3.702 -0.598 13.595 1.00 0.00 O ATOM 1565 CB LYS A 86 -6.201 0.527 11.590 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.702 1.717 10.755 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.348 2.777 11.658 1.00 0.00 C ATOM 1568 CE LYS A 86 -6.321 3.336 12.649 1.00 0.00 C ATOM 1569 NZ LYS A 86 -5.636 4.444 11.923 1.00 0.00 N ATOM 0 H LYS A 86 -4.877 0.390 9.632 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.365 1.441 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.486 -0.410 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.671 0.538 12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.871 2.158 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.425 1.371 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.751 3.586 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.185 2.339 12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.806 3.700 13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.611 2.568 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.841 4.795 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.278 4.093 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.310 5.218 11.755 1.00 0.00 H new ATOM 1583 N HIS A 87 -4.041 -1.772 11.744 1.00 0.00 N ATOM 1584 CA HIS A 87 -3.476 -3.031 12.346 1.00 0.00 C ATOM 1585 C HIS A 87 -2.210 -3.480 11.576 1.00 0.00 C ATOM 1586 O HIS A 87 -2.236 -4.458 10.856 1.00 0.00 O ATOM 1587 CB HIS A 87 -4.596 -4.069 12.202 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.572 -5.008 13.378 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -3.642 -6.032 13.497 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -5.366 -5.094 14.496 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -3.900 -6.681 14.648 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -4.940 -6.150 15.295 1.00 0.00 N ATOM 0 H HIS A 87 -4.358 -1.866 10.779 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.174 -2.894 13.384 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.563 -3.569 12.143 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.470 -4.628 11.275 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.196 -4.440 14.721 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.334 -7.529 15.005 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.337 -6.453 16.184 1.00 0.00 H new ATOM 1600 N PRO A 88 -1.144 -2.735 11.754 1.00 0.00 N ATOM 1601 CA PRO A 88 0.142 -3.037 11.077 1.00 0.00 C ATOM 1602 C PRO A 88 1.011 -3.954 11.958 1.00 0.00 C ATOM 1603 O PRO A 88 1.208 -5.113 11.656 1.00 0.00 O ATOM 1604 CB PRO A 88 0.762 -1.651 10.932 1.00 0.00 C ATOM 1605 CG PRO A 88 0.158 -0.810 12.027 1.00 0.00 C ATOM 1606 CD PRO A 88 -1.033 -1.542 12.588 1.00 0.00 C ATOM 0 HA PRO A 88 0.036 -3.563 10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.847 -1.697 11.028 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.547 -1.228 9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.892 -0.624 12.811 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.144 0.162 11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.884 -1.801 13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.936 -0.934 12.535 1.00 0.00 H new ATOM 1614 N LEU A 89 1.516 -3.419 13.049 1.00 0.00 N ATOM 1615 CA LEU A 89 2.358 -4.206 14.027 1.00 0.00 C ATOM 1616 C LEU A 89 3.772 -4.539 13.508 1.00 0.00 C ATOM 1617 O LEU A 89 4.575 -5.085 14.243 1.00 0.00 O ATOM 1618 CB LEU A 89 1.566 -5.485 14.345 1.00 0.00 C ATOM 1619 CG LEU A 89 0.440 -5.160 15.333 1.00 0.00 C ATOM 1620 CD1 LEU A 89 -0.669 -4.384 14.619 1.00 0.00 C ATOM 1621 CD2 LEU A 89 -0.136 -6.462 15.885 1.00 0.00 C ATOM 0 H LEU A 89 1.378 -2.443 13.313 1.00 0.00 H new ATOM 0 HA LEU A 89 2.536 -3.602 14.917 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.150 -5.904 13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.229 -6.239 14.769 1.00 0.00 H new ATOM 0 HG LEU A 89 0.839 -4.555 16.147 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.467 -4.156 15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.263 -3.455 14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.068 -4.987 13.804 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.937 -6.236 16.588 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.531 -7.062 15.065 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.649 -7.019 16.396 1.00 0.00 H new ATOM 1633 N TYR A 90 4.118 -4.192 12.294 1.00 0.00 N ATOM 1634 CA TYR A 90 5.514 -4.476 11.808 1.00 0.00 C ATOM 1635 C TYR A 90 6.453 -3.347 12.267 1.00 0.00 C ATOM 1636 O TYR A 90 7.265 -2.849 11.503 1.00 0.00 O ATOM 1637 CB TYR A 90 5.412 -4.505 10.287 1.00 0.00 C ATOM 1638 CG TYR A 90 5.216 -5.918 9.808 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.197 -6.885 10.050 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.056 -6.256 9.106 1.00 0.00 C ATOM 1641 CE1 TYR A 90 6.015 -8.192 9.586 1.00 0.00 C ATOM 1642 CE2 TYR A 90 3.875 -7.562 8.648 1.00 0.00 C ATOM 1643 CZ TYR A 90 4.853 -8.528 8.887 1.00 0.00 C ATOM 1644 OH TYR A 90 4.680 -9.817 8.410 1.00 0.00 O ATOM 0 H TYR A 90 3.507 -3.730 11.621 1.00 0.00 H new ATOM 0 HA TYR A 90 5.912 -5.413 12.198 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.579 -3.883 9.959 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.316 -4.086 9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.093 -6.623 10.594 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.300 -5.508 8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.772 -8.941 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.977 -7.825 8.108 1.00 0.00 H new ATOM 0 HH TYR A 90 3.818 -9.882 7.948 1.00 0.00 H new ATOM 1654 N ARG A 91 6.331 -2.938 13.514 1.00 0.00 N ATOM 1655 CA ARG A 91 7.181 -1.834 14.081 1.00 0.00 C ATOM 1656 C ARG A 91 6.873 -0.485 13.399 1.00 0.00 C ATOM 1657 O ARG A 91 6.583 0.493 14.060 1.00 0.00 O ATOM 1658 CB ARG A 91 8.645 -2.235 13.840 1.00 0.00 C ATOM 1659 CG ARG A 91 8.874 -3.719 14.158 1.00 0.00 C ATOM 1660 CD ARG A 91 8.439 -4.041 15.587 1.00 0.00 C ATOM 1661 NE ARG A 91 8.418 -5.532 15.630 1.00 0.00 N ATOM 1662 CZ ARG A 91 7.370 -6.180 15.226 1.00 0.00 C ATOM 1663 NH1 ARG A 91 6.423 -6.449 16.065 1.00 0.00 N ATOM 1664 NH2 ARG A 91 7.274 -6.559 13.987 1.00 0.00 N ATOM 0 H ARG A 91 5.663 -3.333 14.176 1.00 0.00 H new ATOM 0 HA ARG A 91 6.976 -1.703 15.144 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.913 -2.037 12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.299 -1.622 14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.315 -4.337 13.455 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.928 -3.965 14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.135 -3.630 16.318 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.458 -3.621 15.810 1.00 0.00 H new ATOM 0 HE ARG A 91 9.230 -6.043 15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.503 -6.152 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.596 -6.958 15.754 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.024 -6.347 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.448 -7.069 13.672 1.00 0.00 H new ATOM 1678 N LYS A 92 6.948 -0.419 12.092 1.00 0.00 N ATOM 1679 CA LYS A 92 6.677 0.875 11.384 1.00 0.00 C ATOM 1680 C LYS A 92 5.734 0.688 10.178 1.00 0.00 C ATOM 1681 O LYS A 92 5.727 1.496 9.267 1.00 0.00 O ATOM 1682 CB LYS A 92 8.060 1.356 10.919 1.00 0.00 C ATOM 1683 CG LYS A 92 8.732 0.285 10.047 1.00 0.00 C ATOM 1684 CD LYS A 92 10.062 -0.135 10.691 1.00 0.00 C ATOM 1685 CE LYS A 92 10.211 -1.661 10.643 1.00 0.00 C ATOM 1686 NZ LYS A 92 11.662 -1.907 10.389 1.00 0.00 N ATOM 0 H LYS A 92 7.185 -1.203 11.484 1.00 0.00 H new ATOM 0 HA LYS A 92 6.177 1.590 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.959 2.283 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.686 1.576 11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.076 -0.580 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.908 0.674 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.894 0.336 10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.100 0.210 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.893 -2.117 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.595 -2.092 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.947 -2.800 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.830 -1.967 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.221 -1.125 10.786 1.00 0.00 H new ATOM 1700 N MET A 93 4.931 -0.349 10.159 1.00 0.00 N ATOM 1701 CA MET A 93 4.000 -0.543 8.994 1.00 0.00 C ATOM 1702 C MET A 93 2.641 0.108 9.254 1.00 0.00 C ATOM 1703 O MET A 93 1.656 -0.228 8.623 1.00 0.00 O ATOM 1704 CB MET A 93 3.831 -2.052 8.850 1.00 0.00 C ATOM 1705 CG MET A 93 5.074 -2.644 8.190 1.00 0.00 C ATOM 1706 SD MET A 93 5.432 -1.752 6.660 1.00 0.00 S ATOM 1707 CE MET A 93 6.749 -0.697 7.312 1.00 0.00 C ATOM 0 H MET A 93 4.877 -1.062 10.887 1.00 0.00 H new ATOM 0 HA MET A 93 4.403 -0.082 8.092 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.675 -2.506 9.829 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.948 -2.274 8.251 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.924 -2.578 8.869 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.917 -3.701 7.978 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.416 0.341 7.314 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.990 -1.003 8.330 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.635 -0.792 6.685 1.00 0.00 H new ATOM 1717 N LYS A 94 2.569 1.039 10.165 1.00 0.00 N ATOM 1718 CA LYS A 94 1.263 1.696 10.454 1.00 0.00 C ATOM 1719 C LYS A 94 0.905 2.737 9.370 1.00 0.00 C ATOM 1720 O LYS A 94 0.208 3.694 9.638 1.00 0.00 O ATOM 1721 CB LYS A 94 1.459 2.348 11.830 1.00 0.00 C ATOM 1722 CG LYS A 94 0.103 2.769 12.399 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.183 2.007 13.698 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.701 1.892 13.891 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.910 0.727 14.804 1.00 0.00 N ATOM 0 H LYS A 94 3.356 1.373 10.721 1.00 0.00 H new ATOM 0 HA LYS A 94 0.433 0.989 10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.947 1.648 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.113 3.216 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.097 3.842 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.683 2.570 11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.267 1.015 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.265 2.527 14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.110 2.805 14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.205 1.737 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.503 0.016 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.990 0.305 15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.382 1.048 15.673 1.00 0.00 H new ATOM 1739 N LEU A 95 1.363 2.534 8.146 1.00 0.00 N ATOM 1740 CA LEU A 95 1.052 3.478 7.022 1.00 0.00 C ATOM 1741 C LEU A 95 1.062 4.943 7.498 1.00 0.00 C ATOM 1742 O LEU A 95 0.155 5.704 7.215 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.337 3.046 6.540 1.00 0.00 C ATOM 1744 CG LEU A 95 -0.188 1.957 5.476 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -1.047 0.748 5.848 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.645 2.500 4.126 1.00 0.00 C ATOM 0 H LEU A 95 1.947 1.741 7.881 1.00 0.00 H new ATOM 0 HA LEU A 95 1.794 3.435 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.926 2.673 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.874 3.901 6.129 1.00 0.00 H new ATOM 0 HG LEU A 95 0.858 1.655 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.937 -0.024 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.725 0.356 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.093 1.050 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.539 1.725 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.690 2.804 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.033 3.360 3.854 1.00 0.00 H new ATOM 1758 N ARG A 96 2.083 5.337 8.227 1.00 0.00 N ATOM 1759 CA ARG A 96 2.147 6.745 8.733 1.00 0.00 C ATOM 1760 C ARG A 96 3.601 7.189 8.972 1.00 0.00 C ATOM 1761 O ARG A 96 3.942 7.685 10.029 1.00 0.00 O ATOM 1762 CB ARG A 96 1.372 6.712 10.054 1.00 0.00 C ATOM 1763 CG ARG A 96 -0.106 6.994 9.786 1.00 0.00 C ATOM 1764 CD ARG A 96 -0.572 8.164 10.650 1.00 0.00 C ATOM 1765 NE ARG A 96 -1.882 8.557 10.061 1.00 0.00 N ATOM 1766 CZ ARG A 96 -2.975 8.425 10.738 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -3.480 7.256 10.937 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -3.564 9.466 11.225 1.00 0.00 N ATOM 0 H ARG A 96 2.871 4.745 8.491 1.00 0.00 H new ATOM 0 HA ARG A 96 1.730 7.454 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.487 5.739 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.775 7.454 10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.257 7.226 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.701 6.108 10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.677 7.870 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.141 8.988 10.621 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.917 8.934 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.017 6.429 10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.343 7.158 11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.167 10.393 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.427 9.361 11.759 1.00 0.00 H new ATOM 1782 N TYR A 97 4.458 7.030 7.996 1.00 0.00 N ATOM 1783 CA TYR A 97 5.884 7.456 8.165 1.00 0.00 C ATOM 1784 C TYR A 97 6.488 7.781 6.787 1.00 0.00 C ATOM 1785 O TYR A 97 6.043 7.249 5.788 1.00 0.00 O ATOM 1786 CB TYR A 97 6.581 6.248 8.809 1.00 0.00 C ATOM 1787 CG TYR A 97 7.960 6.646 9.282 1.00 0.00 C ATOM 1788 CD1 TYR A 97 8.110 7.456 10.416 1.00 0.00 C ATOM 1789 CD2 TYR A 97 9.090 6.218 8.578 1.00 0.00 C ATOM 1790 CE1 TYR A 97 9.390 7.838 10.839 1.00 0.00 C ATOM 1791 CE2 TYR A 97 10.368 6.597 9.003 1.00 0.00 C ATOM 1792 CZ TYR A 97 10.517 7.408 10.132 1.00 0.00 C ATOM 1793 OH TYR A 97 11.775 7.789 10.544 1.00 0.00 O ATOM 0 H TYR A 97 4.234 6.623 7.088 1.00 0.00 H new ATOM 0 HA TYR A 97 5.994 8.351 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.991 5.880 9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.654 5.433 8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.239 7.786 10.964 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.976 5.594 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.506 8.464 11.711 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.239 6.263 8.459 1.00 0.00 H new ATOM 0 HH TYR A 97 12.078 8.551 10.007 1.00 0.00 H new ATOM 1803 N PRO A 98 7.476 8.647 6.763 1.00 0.00 N ATOM 1804 CA PRO A 98 8.103 9.016 5.479 1.00 0.00 C ATOM 1805 C PRO A 98 9.267 8.063 5.202 1.00 0.00 C ATOM 1806 O PRO A 98 9.416 7.038 5.841 1.00 0.00 O ATOM 1807 CB PRO A 98 8.663 10.404 5.751 1.00 0.00 C ATOM 1808 CG PRO A 98 8.942 10.425 7.222 1.00 0.00 C ATOM 1809 CD PRO A 98 8.083 9.371 7.884 1.00 0.00 C ATOM 0 HA PRO A 98 7.417 8.978 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 98 9.570 10.584 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.949 11.180 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.997 10.228 7.411 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.722 11.409 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.679 8.708 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 98 7.325 9.820 8.526 1.00 0.00 H new ATOM 1817 N ILE A 99 10.106 8.402 4.273 1.00 0.00 N ATOM 1818 CA ILE A 99 11.268 7.535 3.982 1.00 0.00 C ATOM 1819 C ILE A 99 12.560 8.313 4.255 1.00 0.00 C ATOM 1820 O ILE A 99 13.011 9.103 3.449 1.00 0.00 O ATOM 1821 CB ILE A 99 11.116 7.114 2.521 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.923 8.335 1.585 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.910 6.168 2.406 1.00 0.00 C ATOM 1824 CD1 ILE A 99 9.438 8.722 1.474 1.00 0.00 C ATOM 0 H ILE A 99 10.036 9.244 3.702 1.00 0.00 H new ATOM 0 HA ILE A 99 11.314 6.647 4.613 1.00 0.00 H new ATOM 0 HB ILE A 99 12.030 6.609 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.495 9.182 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.316 8.103 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.788 5.858 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.076 5.290 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.010 6.684 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.334 9.581 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.872 7.882 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.054 8.977 2.462 1.00 0.00 H new ATOM 1836 N ASN A 100 13.136 8.116 5.413 1.00 0.00 N ATOM 1837 CA ASN A 100 14.378 8.866 5.781 1.00 0.00 C ATOM 1838 C ASN A 100 15.610 8.301 5.059 1.00 0.00 C ATOM 1839 O ASN A 100 16.071 7.217 5.358 1.00 0.00 O ATOM 1840 CB ASN A 100 14.518 8.676 7.300 1.00 0.00 C ATOM 1841 CG ASN A 100 13.542 9.593 8.037 1.00 0.00 C ATOM 1842 OD1 ASN A 100 12.646 9.127 8.713 1.00 0.00 O ATOM 1843 ND2 ASN A 100 13.680 10.881 7.946 1.00 0.00 N ATOM 0 H ASN A 100 12.799 7.466 6.123 1.00 0.00 H new ATOM 0 HA ASN A 100 14.311 9.915 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.322 7.637 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.540 8.896 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.037 11.499 8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.431 11.275 7.379 1.00 0.00 H new ATOM 1850 N GLU A 101 16.158 9.041 4.121 1.00 0.00 N ATOM 1851 CA GLU A 101 17.378 8.557 3.396 1.00 0.00 C ATOM 1852 C GLU A 101 18.604 8.741 4.303 1.00 0.00 C ATOM 1853 O GLU A 101 18.975 9.850 4.646 1.00 0.00 O ATOM 1854 CB GLU A 101 17.492 9.415 2.122 1.00 0.00 C ATOM 1855 CG GLU A 101 16.180 9.356 1.308 1.00 0.00 C ATOM 1856 CD GLU A 101 16.202 8.218 0.268 1.00 0.00 C ATOM 1857 OE1 GLU A 101 17.219 7.551 0.131 1.00 0.00 O ATOM 1858 OE2 GLU A 101 15.187 8.028 -0.385 1.00 0.00 O ATOM 0 H GLU A 101 15.814 9.955 3.828 1.00 0.00 H new ATOM 0 HA GLU A 101 17.316 7.500 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.713 10.448 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.322 9.060 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 101 15.338 9.213 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.023 10.308 0.801 1.00 0.00 H new