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 17 THR OG1 : rot 158:sc= 0.949 USER MOD Set 1.2: A 20 GLN : amide:sc= 0.795 K(o=1.7,f=-4.4!) USER MOD Set 2.1: A 8 SER OG : rot 15:sc= -0.822! USER MOD Set 2.2: A 86 LYS NZ :NH3+ -162:sc= 1.78! (180deg=0.268) USER MOD Set 2.3: A 94 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.18) USER MOD Single : A 6 HIS : no HE2:sc= 0.335 K(o=0.34,f=-7.3!) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.46 (180deg=0.218!) USER MOD Single : A 12 TYR OH : rot -43:sc= 0.244 USER MOD Single : A 13 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-4.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.91) USER MOD Single : A 24 MET CE :methyl -168:sc= -0.0555 (180deg=-0.22) USER MOD Single : A 26 MET CE :methyl 151:sc= -1.94! (180deg=-3.55!) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 1.36! (180deg=-3.57!) USER MOD Single : A 40 ASN : amide:sc= -1.56 K(o=-1.6,f=-20!) USER MOD Single : A 43 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.2!) USER MOD Single : A 44 SER OG : rot -57:sc= -5.16! USER MOD Single : A 45 TYR OH : rot 131:sc= 1 USER MOD Single : A 48 SER OG : rot 95:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 1.65 (180deg=0.865) USER MOD Single : A 57 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-6.2!) USER MOD Single : A 58 CYS SG : rot -110:sc= 0.00271 USER MOD Single : A 61 GLN : amide:sc= 0.412 K(o=0.41,f=-6.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.712 K(o=0.71,f=-0.57) USER MOD Single : A 66 THR OG1 : rot -89:sc= 0.896 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.256 X(o=0.26,f=-0.19) USER MOD Single : A 72 SER OG : rot -68:sc= 1.03 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 23:sc= -1.34! USER MOD Single : A 83 TYR OH : rot 110:sc= 1.24 USER MOD Single : A 84 TYR OH : rot 30:sc= -1.65! USER MOD Single : A 87 HIS : no HE2:sc= -0.0522 K(o=-0.052,f=-2.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 1.04! (180deg=-1.07!) USER MOD Single : A 93 MET CE :methyl 174:sc= -1.75 (180deg=-1.81) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.91) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 5.769 -1.519 -14.689 1.00 0.00 N ATOM 34 CA GLU B 4 4.497 -1.614 -15.486 1.00 0.00 C ATOM 35 C GLU B 4 4.151 -3.087 -15.780 1.00 0.00 C ATOM 36 O GLU B 4 3.362 -3.375 -16.665 1.00 0.00 O ATOM 37 CB GLU B 4 4.751 -0.852 -16.803 1.00 0.00 C ATOM 38 CG GLU B 4 5.105 0.620 -16.522 1.00 0.00 C ATOM 39 CD GLU B 4 3.896 1.523 -16.782 1.00 0.00 C ATOM 40 OE1 GLU B 4 2.960 1.463 -15.995 1.00 0.00 O ATOM 41 OE2 GLU B 4 3.931 2.291 -17.727 1.00 0.00 O ATOM 0 HA GLU B 4 3.658 -1.188 -14.936 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.563 -1.328 -17.353 1.00 0.00 H new ATOM 0 HB3 GLU B 4 3.865 -0.904 -17.435 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.433 0.730 -15.488 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.938 0.927 -17.155 1.00 0.00 H new ATOM 48 N VAL B 5 4.732 -4.028 -15.062 1.00 0.00 N ATOM 49 CA VAL B 5 4.431 -5.465 -15.345 1.00 0.00 C ATOM 50 C VAL B 5 4.207 -6.294 -14.058 1.00 0.00 C ATOM 51 O VAL B 5 4.982 -7.181 -13.739 1.00 0.00 O ATOM 52 CB VAL B 5 5.659 -5.987 -16.116 1.00 0.00 C ATOM 53 CG1 VAL B 5 5.430 -7.443 -16.525 1.00 0.00 C ATOM 54 CG2 VAL B 5 5.887 -5.159 -17.383 1.00 0.00 C ATOM 0 H VAL B 5 5.393 -3.861 -14.303 1.00 0.00 H new ATOM 0 HA VAL B 5 3.504 -5.559 -15.911 1.00 0.00 H new ATOM 0 HB VAL B 5 6.530 -5.908 -15.466 1.00 0.00 H new ATOM 0 HG11 VAL B 5 6.300 -7.809 -17.070 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.278 -8.052 -15.634 1.00 0.00 H new ATOM 0 HG13 VAL B 5 4.549 -7.507 -17.163 1.00 0.00 H new ATOM 0 HG21 VAL B 5 6.758 -5.541 -17.915 1.00 0.00 H new ATOM 0 HG22 VAL B 5 5.009 -5.228 -18.026 1.00 0.00 H new ATOM 0 HG23 VAL B 5 6.056 -4.117 -17.111 1.00 0.00 H new ATOM 89 N GLU B 7 1.278 -8.765 -11.762 1.00 0.00 N ATOM 90 CA GLU B 7 -0.028 -9.479 -11.955 1.00 0.00 C ATOM 91 C GLU B 7 -0.674 -9.896 -10.614 1.00 0.00 C ATOM 92 O GLU B 7 -1.829 -9.599 -10.364 1.00 0.00 O ATOM 93 CB GLU B 7 0.323 -10.719 -12.787 1.00 0.00 C ATOM 94 CG GLU B 7 0.381 -10.354 -14.280 1.00 0.00 C ATOM 95 CD GLU B 7 -0.965 -9.791 -14.739 1.00 0.00 C ATOM 96 OE1 GLU B 7 -1.922 -10.552 -14.786 1.00 0.00 O ATOM 97 OE2 GLU B 7 -1.025 -8.606 -15.021 1.00 0.00 O ATOM 0 HA GLU B 7 -0.759 -8.833 -12.442 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.283 -11.122 -12.466 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.421 -11.499 -12.624 1.00 0.00 H new ATOM 0 HG2 GLU B 7 1.168 -9.620 -14.452 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.634 -11.236 -14.868 1.00 0.00 H new ATOM 104 N SER B 8 0.039 -10.603 -9.763 1.00 0.00 N ATOM 105 CA SER B 8 -0.561 -11.053 -8.451 1.00 0.00 C ATOM 106 C SER B 8 -0.257 -10.030 -7.341 1.00 0.00 C ATOM 107 O SER B 8 0.867 -9.937 -6.897 1.00 0.00 O ATOM 108 CB SER B 8 0.116 -12.391 -8.145 1.00 0.00 C ATOM 109 OG SER B 8 0.143 -13.189 -9.327 1.00 0.00 O ATOM 0 H SER B 8 1.006 -10.889 -9.915 1.00 0.00 H new ATOM 0 HA SER B 8 -1.646 -11.145 -8.506 1.00 0.00 H new ATOM 0 HB2 SER B 8 1.130 -12.224 -7.783 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.423 -12.912 -7.354 1.00 0.00 H new ATOM 0 HG SER B 8 0.578 -14.046 -9.133 1.00 0.00 H new ATOM 115 N PRO B 9 -1.269 -9.273 -6.956 1.00 0.00 N ATOM 116 CA PRO B 9 -1.105 -8.200 -5.920 1.00 0.00 C ATOM 117 C PRO B 9 -0.799 -8.736 -4.507 1.00 0.00 C ATOM 118 O PRO B 9 -0.496 -9.898 -4.306 1.00 0.00 O ATOM 119 CB PRO B 9 -2.459 -7.493 -5.933 1.00 0.00 C ATOM 120 CG PRO B 9 -3.415 -8.518 -6.441 1.00 0.00 C ATOM 121 CD PRO B 9 -2.655 -9.343 -7.436 1.00 0.00 C ATOM 0 HA PRO B 9 -0.254 -7.560 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.737 -7.151 -4.936 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.441 -6.614 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.790 -9.138 -5.627 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.280 -8.046 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.018 -10.370 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -2.750 -8.942 -8.445 1.00 0.00 H new ATOM 154 N ALA B 11 -1.063 -9.999 -0.523 1.00 0.00 N ATOM 155 CA ALA B 11 -1.840 -11.154 0.033 1.00 0.00 C ATOM 156 C ALA B 11 -2.762 -10.692 1.184 1.00 0.00 C ATOM 157 O ALA B 11 -3.362 -9.637 1.121 1.00 0.00 O ATOM 158 CB ALA B 11 -0.765 -12.125 0.541 1.00 0.00 C ATOM 0 HA ALA B 11 -2.494 -11.613 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -1.243 -13.006 0.968 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -0.125 -12.426 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -0.162 -11.633 1.305 1.00 0.00 H new ATOM 164 N ASP B 12 -2.881 -11.478 2.228 1.00 0.00 N ATOM 165 CA ASP B 12 -3.762 -11.094 3.380 1.00 0.00 C ATOM 166 C ASP B 12 -3.051 -10.076 4.297 1.00 0.00 C ATOM 167 O ASP B 12 -1.860 -9.867 4.180 1.00 0.00 O ATOM 168 CB ASP B 12 -4.047 -12.411 4.122 1.00 0.00 C ATOM 169 CG ASP B 12 -2.737 -13.133 4.450 1.00 0.00 C ATOM 170 OD1 ASP B 12 -2.201 -13.777 3.559 1.00 0.00 O ATOM 171 OD2 ASP B 12 -2.296 -13.031 5.582 1.00 0.00 O ATOM 0 H ASP B 12 -2.404 -12.373 2.333 1.00 0.00 H new ATOM 0 HA ASP B 12 -4.682 -10.611 3.051 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.597 -12.207 5.041 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -4.679 -13.052 3.508 1.00 0.00 H new ATOM 176 N PRO B 13 -3.818 -9.456 5.171 1.00 0.00 N ATOM 177 CA PRO B 13 -3.252 -8.433 6.093 1.00 0.00 C ATOM 178 C PRO B 13 -2.497 -9.072 7.275 1.00 0.00 C ATOM 179 O PRO B 13 -3.068 -9.789 8.078 1.00 0.00 O ATOM 180 CB PRO B 13 -4.486 -7.680 6.583 1.00 0.00 C ATOM 181 CG PRO B 13 -5.624 -8.646 6.449 1.00 0.00 C ATOM 182 CD PRO B 13 -5.260 -9.645 5.377 1.00 0.00 C ATOM 0 HA PRO B 13 -2.518 -7.794 5.601 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -4.364 -7.358 7.617 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -4.660 -6.783 5.988 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.808 -9.153 7.396 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -6.542 -8.120 6.185 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -5.486 -10.664 5.691 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -5.819 -9.463 4.459 1.00 0.00 H new ATOM 243 N GLY A 4 -10.714 3.249 8.307 1.00 0.00 N ATOM 244 CA GLY A 4 -9.814 4.418 8.044 1.00 0.00 C ATOM 245 C GLY A 4 -10.406 5.299 6.937 1.00 0.00 C ATOM 246 O GLY A 4 -11.223 6.156 7.207 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.687 5.002 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.825 4.067 7.750 1.00 0.00 H new ATOM 250 N ILE A 5 -9.989 5.114 5.697 1.00 0.00 N ATOM 251 CA ILE A 5 -10.520 5.949 4.547 1.00 0.00 C ATOM 252 C ILE A 5 -10.119 7.442 4.662 1.00 0.00 C ATOM 253 O ILE A 5 -9.946 8.116 3.660 1.00 0.00 O ATOM 254 CB ILE A 5 -12.048 5.768 4.585 1.00 0.00 C ATOM 255 CG1 ILE A 5 -12.446 4.501 3.813 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.745 6.974 3.945 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.910 3.258 4.530 1.00 0.00 C ATOM 0 H ILE A 5 -9.297 4.415 5.427 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.095 5.622 3.598 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.356 5.680 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.531 4.443 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.050 4.544 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.825 6.831 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.481 7.879 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.425 7.071 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.198 2.365 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.823 3.313 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.327 3.210 5.536 1.00 0.00 H new ATOM 269 N HIS A 6 -9.976 7.966 5.855 1.00 0.00 N ATOM 270 CA HIS A 6 -9.587 9.402 6.027 1.00 0.00 C ATOM 271 C HIS A 6 -8.963 9.613 7.421 1.00 0.00 C ATOM 272 O HIS A 6 -9.022 10.693 7.975 1.00 0.00 O ATOM 273 CB HIS A 6 -10.907 10.181 5.909 1.00 0.00 C ATOM 274 CG HIS A 6 -10.905 11.009 4.654 1.00 0.00 C ATOM 275 ND1 HIS A 6 -10.564 10.476 3.425 1.00 0.00 N ATOM 276 CD2 HIS A 6 -11.207 12.326 4.421 1.00 0.00 C ATOM 277 CE1 HIS A 6 -10.669 11.460 2.512 1.00 0.00 C ATOM 278 NE2 HIS A 6 -11.057 12.610 3.067 1.00 0.00 N ATOM 0 H HIS A 6 -10.114 7.455 6.727 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.851 9.727 5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.748 9.488 5.896 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.038 10.825 6.779 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.284 9.512 3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.515 13.036 5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.464 11.334 1.459 1.00 0.00 H new ATOM 286 N GLU A 7 -8.385 8.585 8.002 1.00 0.00 N ATOM 287 CA GLU A 7 -7.788 8.735 9.367 1.00 0.00 C ATOM 288 C GLU A 7 -6.288 9.067 9.308 1.00 0.00 C ATOM 289 O GLU A 7 -5.756 9.678 10.215 1.00 0.00 O ATOM 290 CB GLU A 7 -8.014 7.383 10.053 1.00 0.00 C ATOM 291 CG GLU A 7 -8.181 7.598 11.564 1.00 0.00 C ATOM 292 CD GLU A 7 -7.599 6.411 12.338 1.00 0.00 C ATOM 293 OE1 GLU A 7 -6.412 6.154 12.194 1.00 0.00 O ATOM 294 OE2 GLU A 7 -8.349 5.779 13.066 1.00 0.00 O ATOM 0 H GLU A 7 -8.302 7.655 7.591 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.251 9.560 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.901 6.899 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.171 6.720 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.680 8.518 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.237 7.716 11.807 1.00 0.00 H new ATOM 301 N SER A 8 -5.588 8.656 8.277 1.00 0.00 N ATOM 302 CA SER A 8 -4.113 8.948 8.224 1.00 0.00 C ATOM 303 C SER A 8 -3.571 9.015 6.783 1.00 0.00 C ATOM 304 O SER A 8 -3.258 10.087 6.302 1.00 0.00 O ATOM 305 CB SER A 8 -3.435 7.810 9.003 1.00 0.00 C ATOM 306 OG SER A 8 -4.233 6.632 8.940 1.00 0.00 O ATOM 0 H SER A 8 -5.963 8.140 7.481 1.00 0.00 H new ATOM 0 HA SER A 8 -3.907 9.927 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.447 7.612 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.290 8.106 10.042 1.00 0.00 H new ATOM 0 HG SER A 8 -4.903 6.728 8.231 1.00 0.00 H new ATOM 312 N LYS A 9 -3.418 7.901 6.087 1.00 0.00 N ATOM 313 CA LYS A 9 -2.847 7.995 4.693 1.00 0.00 C ATOM 314 C LYS A 9 -3.242 6.818 3.781 1.00 0.00 C ATOM 315 O LYS A 9 -3.912 5.893 4.185 1.00 0.00 O ATOM 316 CB LYS A 9 -1.337 7.989 4.898 1.00 0.00 C ATOM 317 CG LYS A 9 -0.690 8.847 3.813 1.00 0.00 C ATOM 318 CD LYS A 9 0.635 9.393 4.323 1.00 0.00 C ATOM 319 CE LYS A 9 1.764 9.001 3.359 1.00 0.00 C ATOM 320 NZ LYS A 9 2.022 7.551 3.618 1.00 0.00 N ATOM 0 H LYS A 9 -3.654 6.963 6.409 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.229 8.885 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.089 8.378 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.954 6.970 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.529 8.254 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.353 9.668 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.581 10.478 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.842 9.000 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.472 9.169 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.659 9.597 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.008 7.325 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.855 7.343 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.382 6.975 3.035 1.00 0.00 H new ATOM 334 N GLU A 10 -2.789 6.866 2.542 1.00 0.00 N ATOM 335 CA GLU A 10 -3.072 5.776 1.540 1.00 0.00 C ATOM 336 C GLU A 10 -4.573 5.526 1.351 1.00 0.00 C ATOM 337 O GLU A 10 -4.982 4.469 0.908 1.00 0.00 O ATOM 338 CB GLU A 10 -2.362 4.543 2.087 1.00 0.00 C ATOM 339 CG GLU A 10 -0.949 4.468 1.488 1.00 0.00 C ATOM 340 CD GLU A 10 -0.244 5.821 1.643 1.00 0.00 C ATOM 341 OE1 GLU A 10 0.330 6.050 2.692 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.297 6.614 0.716 1.00 0.00 O ATOM 0 H GLU A 10 -2.223 7.632 2.176 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.713 6.050 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.307 4.592 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.924 3.643 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.374 3.689 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.005 4.196 0.434 1.00 0.00 H new ATOM 349 N TRP A 11 -5.390 6.504 1.633 1.00 0.00 N ATOM 350 CA TRP A 11 -6.859 6.336 1.415 1.00 0.00 C ATOM 351 C TRP A 11 -7.277 7.041 0.108 1.00 0.00 C ATOM 352 O TRP A 11 -8.445 7.146 -0.208 1.00 0.00 O ATOM 353 CB TRP A 11 -7.568 6.938 2.643 1.00 0.00 C ATOM 354 CG TRP A 11 -6.973 8.256 3.045 1.00 0.00 C ATOM 355 CD1 TRP A 11 -6.171 8.445 4.120 1.00 0.00 C ATOM 356 CD2 TRP A 11 -7.129 9.562 2.417 1.00 0.00 C ATOM 357 NE1 TRP A 11 -5.816 9.780 4.185 1.00 0.00 N ATOM 358 CE2 TRP A 11 -6.382 10.508 3.159 1.00 0.00 C ATOM 359 CE3 TRP A 11 -7.833 10.013 1.286 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -6.337 11.852 2.793 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -7.790 11.368 0.915 1.00 0.00 C ATOM 362 CH2 TRP A 11 -7.043 12.284 1.667 1.00 0.00 C ATOM 0 H TRP A 11 -5.107 7.411 2.004 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.134 5.287 1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.627 7.071 2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.502 6.241 3.478 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.859 7.678 4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.210 10.177 4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.410 9.314 0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.760 12.555 3.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.336 11.705 0.046 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.013 13.324 1.377 1.00 0.00 H new ATOM 373 N TYR A 12 -6.316 7.521 -0.650 1.00 0.00 N ATOM 374 CA TYR A 12 -6.618 8.222 -1.942 1.00 0.00 C ATOM 375 C TYR A 12 -6.034 7.419 -3.119 1.00 0.00 C ATOM 376 O TYR A 12 -5.150 7.875 -3.815 1.00 0.00 O ATOM 377 CB TYR A 12 -5.942 9.611 -1.827 1.00 0.00 C ATOM 378 CG TYR A 12 -4.605 9.491 -1.115 1.00 0.00 C ATOM 379 CD1 TYR A 12 -3.471 9.055 -1.812 1.00 0.00 C ATOM 380 CD2 TYR A 12 -4.510 9.788 0.251 1.00 0.00 C ATOM 381 CE1 TYR A 12 -2.248 8.920 -1.147 1.00 0.00 C ATOM 382 CE2 TYR A 12 -3.286 9.646 0.916 1.00 0.00 C ATOM 383 CZ TYR A 12 -2.155 9.212 0.216 1.00 0.00 C ATOM 384 OH TYR A 12 -0.953 9.060 0.875 1.00 0.00 O ATOM 0 H TYR A 12 -5.323 7.456 -0.425 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.689 8.319 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.796 10.035 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.592 10.295 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.541 8.823 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.382 10.127 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.374 8.589 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.215 9.872 1.970 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.532 8.219 0.598 1.00 0.00 H new ATOM 394 N HIS A 13 -6.510 6.211 -3.330 1.00 0.00 N ATOM 395 CA HIS A 13 -5.973 5.357 -4.447 1.00 0.00 C ATOM 396 C HIS A 13 -6.154 6.027 -5.824 1.00 0.00 C ATOM 397 O HIS A 13 -7.013 5.643 -6.608 1.00 0.00 O ATOM 398 CB HIS A 13 -6.784 4.051 -4.377 1.00 0.00 C ATOM 399 CG HIS A 13 -8.255 4.347 -4.210 1.00 0.00 C ATOM 400 ND1 HIS A 13 -9.042 4.807 -5.250 1.00 0.00 N ATOM 401 CD2 HIS A 13 -9.087 4.260 -3.123 1.00 0.00 C ATOM 402 CE1 HIS A 13 -10.290 4.975 -4.772 1.00 0.00 C ATOM 403 NE2 HIS A 13 -10.371 4.656 -3.480 1.00 0.00 N ATOM 0 H HIS A 13 -7.249 5.778 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.901 5.193 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.625 3.469 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.433 3.443 -3.543 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.733 4.986 -6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.789 3.933 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.123 5.325 -5.363 1.00 0.00 H new ATOM 411 N ALA A 14 -5.333 7.004 -6.131 1.00 0.00 N ATOM 412 CA ALA A 14 -5.418 7.709 -7.456 1.00 0.00 C ATOM 413 C ALA A 14 -4.567 8.991 -7.435 1.00 0.00 C ATOM 414 O ALA A 14 -3.882 9.278 -6.471 1.00 0.00 O ATOM 415 CB ALA A 14 -6.902 8.066 -7.637 1.00 0.00 C ATOM 0 H ALA A 14 -4.598 7.349 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.046 7.085 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.038 8.584 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.499 7.154 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.223 8.713 -6.821 1.00 0.00 H new ATOM 421 N SER A 15 -4.627 9.766 -8.493 1.00 0.00 N ATOM 422 CA SER A 15 -3.859 11.064 -8.577 1.00 0.00 C ATOM 423 C SER A 15 -2.328 10.872 -8.554 1.00 0.00 C ATOM 424 O SER A 15 -1.640 11.333 -9.445 1.00 0.00 O ATOM 425 CB SER A 15 -4.309 11.881 -7.366 1.00 0.00 C ATOM 426 OG SER A 15 -3.643 13.137 -7.382 1.00 0.00 O ATOM 0 H SER A 15 -5.185 9.555 -9.320 1.00 0.00 H new ATOM 0 HA SER A 15 -4.067 11.558 -9.526 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.389 12.027 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.081 11.345 -6.445 1.00 0.00 H new ATOM 0 HG SER A 15 -3.927 13.668 -6.609 1.00 0.00 H new ATOM 432 N LEU A 16 -1.790 10.234 -7.538 1.00 0.00 N ATOM 433 CA LEU A 16 -0.297 10.049 -7.450 1.00 0.00 C ATOM 434 C LEU A 16 0.271 9.396 -8.726 1.00 0.00 C ATOM 435 O LEU A 16 -0.455 9.009 -9.624 1.00 0.00 O ATOM 436 CB LEU A 16 -0.068 9.151 -6.218 1.00 0.00 C ATOM 437 CG LEU A 16 0.139 7.687 -6.645 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.790 6.903 -5.502 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.215 7.060 -7.002 1.00 0.00 C ATOM 0 H LEU A 16 -2.319 9.832 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 16 0.216 11.006 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.803 9.500 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.923 9.222 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 16 0.792 7.653 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.935 5.867 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.755 7.348 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.144 6.935 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.067 6.023 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.872 7.095 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.668 7.616 -7.822 1.00 0.00 H new ATOM 451 N THR A 17 1.572 9.254 -8.800 1.00 0.00 N ATOM 452 CA THR A 17 2.189 8.622 -10.007 1.00 0.00 C ATOM 453 C THR A 17 2.042 7.097 -9.965 1.00 0.00 C ATOM 454 O THR A 17 1.710 6.507 -8.956 1.00 0.00 O ATOM 455 CB THR A 17 3.673 9.015 -9.982 1.00 0.00 C ATOM 456 OG1 THR A 17 4.154 9.006 -8.645 1.00 0.00 O ATOM 457 CG2 THR A 17 3.843 10.415 -10.569 1.00 0.00 C ATOM 0 H THR A 17 2.231 9.547 -8.079 1.00 0.00 H new ATOM 0 HA THR A 17 1.698 8.961 -10.919 1.00 0.00 H new ATOM 0 HB THR A 17 4.240 8.297 -10.575 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.128 8.900 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.897 10.692 -10.550 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.484 10.424 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.270 11.129 -9.978 1.00 0.00 H new ATOM 465 N ARG A 18 2.284 6.469 -11.078 1.00 0.00 N ATOM 466 CA ARG A 18 2.167 4.983 -11.179 1.00 0.00 C ATOM 467 C ARG A 18 3.361 4.277 -10.486 1.00 0.00 C ATOM 468 O ARG A 18 3.771 4.662 -9.409 1.00 0.00 O ATOM 469 CB ARG A 18 2.088 4.690 -12.679 1.00 0.00 C ATOM 470 CG ARG A 18 0.930 5.492 -13.294 1.00 0.00 C ATOM 471 CD ARG A 18 1.444 6.342 -14.462 1.00 0.00 C ATOM 472 NE ARG A 18 1.065 5.584 -15.692 1.00 0.00 N ATOM 473 CZ ARG A 18 1.719 4.514 -16.028 1.00 0.00 C ATOM 474 NH1 ARG A 18 1.452 3.387 -15.453 1.00 0.00 N ATOM 475 NH2 ARG A 18 2.642 4.580 -16.934 1.00 0.00 N ATOM 0 H ARG A 18 2.565 6.930 -11.943 1.00 0.00 H new ATOM 0 HA ARG A 18 1.286 4.599 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.027 4.957 -13.163 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.935 3.624 -12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.151 4.813 -13.642 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.479 6.134 -12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.993 7.334 -14.456 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.523 6.482 -14.402 1.00 0.00 H new ATOM 0 HE ARG A 18 0.290 5.908 -16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.728 3.339 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.965 2.546 -15.716 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.854 5.471 -17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.157 3.741 -17.199 1.00 0.00 H new ATOM 489 N ALA A 19 3.868 3.210 -11.067 1.00 0.00 N ATOM 490 CA ALA A 19 4.987 2.402 -10.447 1.00 0.00 C ATOM 491 C ALA A 19 6.089 3.253 -9.806 1.00 0.00 C ATOM 492 O ALA A 19 6.806 2.774 -8.941 1.00 0.00 O ATOM 493 CB ALA A 19 5.574 1.641 -11.631 1.00 0.00 C ATOM 0 H ALA A 19 3.548 2.853 -11.967 1.00 0.00 H new ATOM 0 HA ALA A 19 4.603 1.780 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.401 1.018 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.804 1.010 -12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.937 2.350 -12.375 1.00 0.00 H new ATOM 499 N GLN A 20 6.226 4.495 -10.179 1.00 0.00 N ATOM 500 CA GLN A 20 7.272 5.342 -9.542 1.00 0.00 C ATOM 501 C GLN A 20 7.109 5.302 -8.011 1.00 0.00 C ATOM 502 O GLN A 20 8.077 5.209 -7.277 1.00 0.00 O ATOM 503 CB GLN A 20 7.017 6.748 -10.073 1.00 0.00 C ATOM 504 CG GLN A 20 8.127 7.665 -9.571 1.00 0.00 C ATOM 505 CD GLN A 20 7.605 9.096 -9.426 1.00 0.00 C ATOM 506 OE1 GLN A 20 6.497 9.313 -8.979 1.00 0.00 O ATOM 507 NE2 GLN A 20 8.362 10.092 -9.780 1.00 0.00 N ATOM 0 H GLN A 20 5.663 4.958 -10.893 1.00 0.00 H new ATOM 0 HA GLN A 20 8.283 5.003 -9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.994 6.743 -11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.046 7.110 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.498 7.307 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.967 7.645 -10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.294 9.916 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.024 11.049 -9.682 1.00 0.00 H new ATOM 516 N ALA A 21 5.884 5.349 -7.538 1.00 0.00 N ATOM 517 CA ALA A 21 5.624 5.294 -6.061 1.00 0.00 C ATOM 518 C ALA A 21 5.975 3.905 -5.509 1.00 0.00 C ATOM 519 O ALA A 21 6.582 3.784 -4.462 1.00 0.00 O ATOM 520 CB ALA A 21 4.129 5.564 -5.919 1.00 0.00 C ATOM 0 H ALA A 21 5.047 5.424 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 21 6.226 6.014 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.854 5.541 -4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.895 6.544 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.568 4.799 -6.457 1.00 0.00 H new ATOM 526 N GLU A 22 5.619 2.861 -6.221 1.00 0.00 N ATOM 527 CA GLU A 22 5.955 1.474 -5.755 1.00 0.00 C ATOM 528 C GLU A 22 7.469 1.355 -5.644 1.00 0.00 C ATOM 529 O GLU A 22 7.999 0.926 -4.638 1.00 0.00 O ATOM 530 CB GLU A 22 5.433 0.526 -6.839 1.00 0.00 C ATOM 531 CG GLU A 22 4.071 -0.053 -6.424 1.00 0.00 C ATOM 532 CD GLU A 22 3.918 -1.474 -6.973 1.00 0.00 C ATOM 533 OE1 GLU A 22 4.317 -1.697 -8.105 1.00 0.00 O ATOM 534 OE2 GLU A 22 3.376 -2.301 -6.265 1.00 0.00 O ATOM 0 H GLU A 22 5.111 2.908 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 22 5.514 1.241 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.337 1.060 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.146 -0.282 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.986 -0.063 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.267 0.580 -6.801 1.00 0.00 H new ATOM 541 N HIS A 23 8.164 1.764 -6.674 1.00 0.00 N ATOM 542 CA HIS A 23 9.650 1.711 -6.644 1.00 0.00 C ATOM 543 C HIS A 23 10.164 2.640 -5.537 1.00 0.00 C ATOM 544 O HIS A 23 11.030 2.270 -4.768 1.00 0.00 O ATOM 545 CB HIS A 23 10.091 2.200 -8.034 1.00 0.00 C ATOM 546 CG HIS A 23 11.541 2.603 -8.007 1.00 0.00 C ATOM 547 ND1 HIS A 23 11.942 3.887 -7.673 1.00 0.00 N ATOM 548 CD2 HIS A 23 12.695 1.905 -8.261 1.00 0.00 C ATOM 549 CE1 HIS A 23 13.286 3.920 -7.733 1.00 0.00 C ATOM 550 NE2 HIS A 23 13.796 2.738 -8.087 1.00 0.00 N ATOM 0 H HIS A 23 7.762 2.133 -7.536 1.00 0.00 H new ATOM 0 HA HIS A 23 10.042 0.716 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.939 1.411 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.476 3.046 -8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.742 0.866 -8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.880 4.797 -7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.780 2.497 -8.205 1.00 0.00 H new ATOM 558 N MET A 24 9.627 3.837 -5.437 1.00 0.00 N ATOM 559 CA MET A 24 10.095 4.771 -4.366 1.00 0.00 C ATOM 560 C MET A 24 9.860 4.152 -2.977 1.00 0.00 C ATOM 561 O MET A 24 10.743 4.144 -2.145 1.00 0.00 O ATOM 562 CB MET A 24 9.275 6.066 -4.576 1.00 0.00 C ATOM 563 CG MET A 24 8.484 6.447 -3.313 1.00 0.00 C ATOM 564 SD MET A 24 8.031 8.199 -3.395 1.00 0.00 S ATOM 565 CE MET A 24 9.202 8.802 -2.154 1.00 0.00 C ATOM 0 H MET A 24 8.893 4.201 -6.045 1.00 0.00 H new ATOM 0 HA MET A 24 11.164 4.975 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.945 6.882 -4.846 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.586 5.930 -5.410 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.588 5.831 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.084 6.256 -2.423 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.953 9.829 -1.887 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.147 8.173 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.213 8.768 -2.560 1.00 0.00 H new ATOM 575 N LEU A 25 8.688 3.627 -2.723 1.00 0.00 N ATOM 576 CA LEU A 25 8.416 3.023 -1.379 1.00 0.00 C ATOM 577 C LEU A 25 9.158 1.704 -1.196 1.00 0.00 C ATOM 578 O LEU A 25 9.771 1.484 -0.176 1.00 0.00 O ATOM 579 CB LEU A 25 6.909 2.817 -1.318 1.00 0.00 C ATOM 580 CG LEU A 25 6.185 4.162 -1.150 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.028 3.964 -0.185 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.107 5.246 -0.570 1.00 0.00 C ATOM 0 H LEU A 25 7.911 3.589 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 25 8.766 3.673 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.567 2.325 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.660 2.158 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 25 5.848 4.489 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.500 4.908 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.342 3.218 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.411 3.623 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.553 6.179 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.468 4.931 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.955 5.398 -1.238 1.00 0.00 H new ATOM 594 N MET A 26 9.136 0.829 -2.158 1.00 0.00 N ATOM 595 CA MET A 26 9.888 -0.446 -1.991 1.00 0.00 C ATOM 596 C MET A 26 11.362 -0.116 -1.698 1.00 0.00 C ATOM 597 O MET A 26 12.009 -0.736 -0.865 1.00 0.00 O ATOM 598 CB MET A 26 9.749 -1.154 -3.343 1.00 0.00 C ATOM 599 CG MET A 26 10.218 -2.602 -3.222 1.00 0.00 C ATOM 600 SD MET A 26 11.853 -2.768 -3.976 1.00 0.00 S ATOM 601 CE MET A 26 11.650 -4.466 -4.562 1.00 0.00 C ATOM 0 H MET A 26 8.638 0.936 -3.042 1.00 0.00 H new ATOM 0 HA MET A 26 9.519 -1.065 -1.173 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.711 -1.125 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.338 -0.634 -4.098 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.257 -2.897 -2.173 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.509 -3.268 -3.714 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.258 -4.618 -5.454 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.967 -5.160 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.602 -4.645 -4.803 1.00 0.00 H new ATOM 611 N ARG A 27 11.888 0.859 -2.399 1.00 0.00 N ATOM 612 CA ARG A 27 13.314 1.254 -2.221 1.00 0.00 C ATOM 613 C ARG A 27 13.569 2.214 -1.042 1.00 0.00 C ATOM 614 O ARG A 27 14.717 2.389 -0.672 1.00 0.00 O ATOM 615 CB ARG A 27 13.716 1.903 -3.555 1.00 0.00 C ATOM 616 CG ARG A 27 13.579 3.440 -3.492 1.00 0.00 C ATOM 617 CD ARG A 27 14.936 4.095 -3.793 1.00 0.00 C ATOM 618 NE ARG A 27 15.659 4.153 -2.481 1.00 0.00 N ATOM 619 CZ ARG A 27 16.656 4.975 -2.318 1.00 0.00 C ATOM 620 NH1 ARG A 27 17.698 4.889 -3.084 1.00 0.00 N ATOM 621 NH2 ARG A 27 16.605 5.881 -1.395 1.00 0.00 N ATOM 0 H ARG A 27 11.380 1.403 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 27 13.910 0.377 -1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.745 1.637 -3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.089 1.512 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.834 3.778 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.229 3.743 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.498 3.514 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.805 5.093 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 27 15.369 3.547 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.737 4.178 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.479 5.533 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.784 5.952 -0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.386 6.524 -1.268 1.00 0.00 H new ATOM 635 N VAL A 28 12.578 2.903 -0.488 1.00 0.00 N ATOM 636 CA VAL A 28 12.918 3.880 0.621 1.00 0.00 C ATOM 637 C VAL A 28 13.870 3.271 1.669 1.00 0.00 C ATOM 638 O VAL A 28 14.027 2.067 1.768 1.00 0.00 O ATOM 639 CB VAL A 28 11.610 4.323 1.278 1.00 0.00 C ATOM 640 CG1 VAL A 28 10.862 5.238 0.316 1.00 0.00 C ATOM 641 CG2 VAL A 28 10.747 3.116 1.633 1.00 0.00 C ATOM 0 H VAL A 28 11.592 2.837 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 28 13.443 4.733 0.191 1.00 0.00 H new ATOM 0 HB VAL A 28 11.834 4.858 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.927 5.561 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.476 6.110 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.647 4.699 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.822 3.455 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.513 2.557 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.289 2.473 2.327 1.00 0.00 H new ATOM 651 N PRO A 29 14.493 4.156 2.408 1.00 0.00 N ATOM 652 CA PRO A 29 15.483 3.757 3.451 1.00 0.00 C ATOM 653 C PRO A 29 14.855 2.899 4.556 1.00 0.00 C ATOM 654 O PRO A 29 15.445 1.931 5.007 1.00 0.00 O ATOM 655 CB PRO A 29 15.963 5.104 4.006 1.00 0.00 C ATOM 656 CG PRO A 29 14.849 6.050 3.694 1.00 0.00 C ATOM 657 CD PRO A 29 14.325 5.615 2.361 1.00 0.00 C ATOM 0 HA PRO A 29 16.285 3.139 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.149 5.049 5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.895 5.418 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.071 6.007 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.205 7.080 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.281 5.898 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.887 6.061 1.540 1.00 0.00 H new ATOM 665 N ARG A 30 13.684 3.246 5.016 1.00 0.00 N ATOM 666 CA ARG A 30 13.055 2.448 6.113 1.00 0.00 C ATOM 667 C ARG A 30 11.820 1.684 5.624 1.00 0.00 C ATOM 668 O ARG A 30 11.057 2.161 4.803 1.00 0.00 O ATOM 669 CB ARG A 30 12.681 3.478 7.180 1.00 0.00 C ATOM 670 CG ARG A 30 13.953 4.166 7.692 1.00 0.00 C ATOM 671 CD ARG A 30 14.846 3.142 8.407 1.00 0.00 C ATOM 672 NE ARG A 30 16.225 3.396 7.885 1.00 0.00 N ATOM 673 CZ ARG A 30 17.084 2.425 7.791 1.00 0.00 C ATOM 674 NH1 ARG A 30 16.979 1.549 6.845 1.00 0.00 N ATOM 675 NH2 ARG A 30 18.076 2.371 8.620 1.00 0.00 N ATOM 0 H ARG A 30 13.137 4.041 4.685 1.00 0.00 H new ATOM 0 HA ARG A 30 13.733 1.685 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.997 4.217 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.161 2.991 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.494 4.616 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.691 4.974 8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.804 3.270 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.525 2.122 8.194 1.00 0.00 H new ATOM 0 HE ARG A 30 16.493 4.338 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.219 1.618 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.656 0.789 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.179 3.087 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.755 1.613 8.554 1.00 0.00 H new ATOM 689 N ASP A 31 11.631 0.493 6.129 1.00 0.00 N ATOM 690 CA ASP A 31 10.464 -0.345 5.716 1.00 0.00 C ATOM 691 C ASP A 31 9.152 0.244 6.246 1.00 0.00 C ATOM 692 O ASP A 31 9.144 1.235 6.946 1.00 0.00 O ATOM 693 CB ASP A 31 10.748 -1.724 6.318 1.00 0.00 C ATOM 694 CG ASP A 31 12.088 -2.224 5.783 1.00 0.00 C ATOM 695 OD1 ASP A 31 13.106 -1.828 6.324 1.00 0.00 O ATOM 696 OD2 ASP A 31 12.073 -2.960 4.813 1.00 0.00 O ATOM 0 H ASP A 31 12.244 0.059 6.819 1.00 0.00 H new ATOM 0 HA ASP A 31 10.347 -0.392 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.774 -1.663 7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.952 -2.422 6.057 1.00 0.00 H new ATOM 701 N GLY A 32 8.038 -0.337 5.891 1.00 0.00 N ATOM 702 CA GLY A 32 6.723 0.206 6.356 1.00 0.00 C ATOM 703 C GLY A 32 6.205 1.249 5.358 1.00 0.00 C ATOM 704 O GLY A 32 5.250 1.950 5.631 1.00 0.00 O ATOM 0 H GLY A 32 7.979 -1.165 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.001 -0.604 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.835 0.658 7.342 1.00 0.00 H new ATOM 708 N ALA A 33 6.827 1.359 4.208 1.00 0.00 N ATOM 709 CA ALA A 33 6.375 2.355 3.189 1.00 0.00 C ATOM 710 C ALA A 33 5.020 1.934 2.601 1.00 0.00 C ATOM 711 O ALA A 33 4.856 0.820 2.134 1.00 0.00 O ATOM 712 CB ALA A 33 7.466 2.337 2.114 1.00 0.00 C ATOM 0 H ALA A 33 7.633 0.798 3.932 1.00 0.00 H new ATOM 0 HA ALA A 33 6.237 3.351 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.211 3.044 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.420 2.619 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.545 1.335 1.692 1.00 0.00 H new ATOM 718 N PHE A 34 4.052 2.815 2.630 1.00 0.00 N ATOM 719 CA PHE A 34 2.703 2.468 2.087 1.00 0.00 C ATOM 720 C PHE A 34 2.211 3.542 1.106 1.00 0.00 C ATOM 721 O PHE A 34 2.429 4.723 1.302 1.00 0.00 O ATOM 722 CB PHE A 34 1.802 2.423 3.320 1.00 0.00 C ATOM 723 CG PHE A 34 1.174 1.058 3.460 1.00 0.00 C ATOM 724 CD1 PHE A 34 0.128 0.677 2.613 1.00 0.00 C ATOM 725 CD2 PHE A 34 1.621 0.185 4.458 1.00 0.00 C ATOM 726 CE1 PHE A 34 -0.470 -0.578 2.763 1.00 0.00 C ATOM 727 CE2 PHE A 34 1.021 -1.067 4.610 1.00 0.00 C ATOM 728 CZ PHE A 34 -0.025 -1.447 3.763 1.00 0.00 C ATOM 0 H PHE A 34 4.137 3.759 3.006 1.00 0.00 H new ATOM 0 HA PHE A 34 2.711 1.529 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.383 2.657 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.024 3.182 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.217 1.352 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.430 0.479 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.275 -0.875 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.364 -1.741 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.490 -2.414 3.882 1.00 0.00 H new ATOM 738 N LEU A 35 1.546 3.128 0.051 1.00 0.00 N ATOM 739 CA LEU A 35 1.015 4.098 -0.969 1.00 0.00 C ATOM 740 C LEU A 35 0.279 3.328 -2.081 1.00 0.00 C ATOM 741 O LEU A 35 0.838 2.439 -2.690 1.00 0.00 O ATOM 742 CB LEU A 35 2.269 4.803 -1.519 1.00 0.00 C ATOM 743 CG LEU A 35 1.918 5.717 -2.698 1.00 0.00 C ATOM 744 CD1 LEU A 35 0.863 6.739 -2.270 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.183 6.459 -3.145 1.00 0.00 C ATOM 0 H LEU A 35 1.345 2.148 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 35 0.301 4.809 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.737 5.389 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.998 4.058 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 35 1.524 5.116 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.619 7.385 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.036 6.218 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.253 7.343 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.944 7.113 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.566 7.056 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.939 5.737 -3.452 1.00 0.00 H new ATOM 757 N VAL A 36 -0.958 3.661 -2.362 1.00 0.00 N ATOM 758 CA VAL A 36 -1.705 2.935 -3.449 1.00 0.00 C ATOM 759 C VAL A 36 -1.667 3.753 -4.746 1.00 0.00 C ATOM 760 O VAL A 36 -1.672 4.967 -4.713 1.00 0.00 O ATOM 761 CB VAL A 36 -3.142 2.791 -2.936 1.00 0.00 C ATOM 762 CG1 VAL A 36 -4.042 2.322 -4.079 1.00 0.00 C ATOM 763 CG2 VAL A 36 -3.183 1.752 -1.814 1.00 0.00 C ATOM 0 H VAL A 36 -1.483 4.398 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.265 1.963 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.489 3.753 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.065 2.218 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.015 3.053 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.689 1.359 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.205 1.650 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.836 0.791 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.537 2.073 -0.997 1.00 0.00 H new ATOM 773 N ARG A 37 -1.607 3.104 -5.889 1.00 0.00 N ATOM 774 CA ARG A 37 -1.533 3.873 -7.175 1.00 0.00 C ATOM 775 C ARG A 37 -2.237 3.153 -8.343 1.00 0.00 C ATOM 776 O ARG A 37 -2.500 1.961 -8.306 1.00 0.00 O ATOM 777 CB ARG A 37 -0.026 4.017 -7.436 1.00 0.00 C ATOM 778 CG ARG A 37 0.301 3.781 -8.916 1.00 0.00 C ATOM 779 CD ARG A 37 0.181 2.288 -9.236 1.00 0.00 C ATOM 780 NE ARG A 37 1.483 1.905 -9.837 1.00 0.00 N ATOM 781 CZ ARG A 37 2.461 1.548 -9.078 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.833 2.308 -8.095 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.085 0.449 -9.336 1.00 0.00 N ATOM 0 H ARG A 37 -1.606 2.089 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.047 4.831 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.304 5.013 -7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.523 3.304 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.380 4.354 -9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.310 4.131 -9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.021 1.709 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.641 2.100 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 37 1.603 1.924 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.351 3.190 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.607 2.024 -7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.802 -0.123 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.861 0.152 -8.745 1.00 0.00 H new ATOM 797 N LYS A 38 -2.507 3.889 -9.400 1.00 0.00 N ATOM 798 CA LYS A 38 -3.157 3.304 -10.612 1.00 0.00 C ATOM 799 C LYS A 38 -2.092 2.677 -11.528 1.00 0.00 C ATOM 800 O LYS A 38 -1.091 3.292 -11.840 1.00 0.00 O ATOM 801 CB LYS A 38 -3.811 4.504 -11.308 1.00 0.00 C ATOM 802 CG LYS A 38 -5.101 4.072 -12.024 1.00 0.00 C ATOM 803 CD LYS A 38 -4.768 3.139 -13.201 1.00 0.00 C ATOM 804 CE LYS A 38 -5.752 1.957 -13.230 1.00 0.00 C ATOM 805 NZ LYS A 38 -4.987 0.806 -13.812 1.00 0.00 N ATOM 0 H LYS A 38 -2.299 4.885 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.874 2.520 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.037 5.279 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.116 4.938 -12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.762 3.563 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.636 4.950 -12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.822 3.691 -14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.747 2.770 -13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.111 1.722 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.628 2.191 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.484 0.449 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.034 1.123 -14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.912 0.046 -13.106 1.00 0.00 H new ATOM 819 N ARG A 39 -2.304 1.468 -11.970 1.00 0.00 N ATOM 820 CA ARG A 39 -1.315 0.810 -12.878 1.00 0.00 C ATOM 821 C ARG A 39 -1.698 1.105 -14.339 1.00 0.00 C ATOM 822 O ARG A 39 -2.835 1.433 -14.630 1.00 0.00 O ATOM 823 CB ARG A 39 -1.434 -0.682 -12.540 1.00 0.00 C ATOM 824 CG ARG A 39 -0.833 -1.528 -13.658 1.00 0.00 C ATOM 825 CD ARG A 39 -0.144 -2.754 -13.058 1.00 0.00 C ATOM 826 NE ARG A 39 -0.486 -3.874 -13.984 1.00 0.00 N ATOM 827 CZ ARG A 39 0.357 -4.245 -14.907 1.00 0.00 C ATOM 828 NH1 ARG A 39 0.964 -3.356 -15.633 1.00 0.00 N ATOM 829 NH2 ARG A 39 0.605 -5.507 -15.092 1.00 0.00 N ATOM 0 H ARG A 39 -3.122 0.903 -11.742 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.291 1.163 -12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.922 -0.891 -11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.482 -0.947 -12.397 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.614 -1.840 -14.352 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.116 -0.938 -14.229 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.934 -2.610 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.500 -2.953 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.383 -4.351 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.782 -2.364 -15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.623 -3.650 -16.354 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.140 -6.208 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.265 -5.797 -15.814 1.00 0.00 H new ATOM 843 N ASN A 40 -0.774 1.006 -15.255 1.00 0.00 N ATOM 844 CA ASN A 40 -1.109 1.297 -16.691 1.00 0.00 C ATOM 845 C ASN A 40 -2.172 0.319 -17.221 1.00 0.00 C ATOM 846 O ASN A 40 -3.026 0.685 -18.009 1.00 0.00 O ATOM 847 CB ASN A 40 0.210 1.124 -17.463 1.00 0.00 C ATOM 848 CG ASN A 40 0.712 -0.322 -17.345 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.743 -0.884 -16.269 1.00 0.00 O ATOM 850 ND2 ASN A 40 1.105 -0.954 -18.411 1.00 0.00 N ATOM 0 H ASN A 40 0.195 0.738 -15.080 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.523 2.299 -16.807 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.061 1.380 -18.512 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.961 1.810 -17.071 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.437 -1.916 -18.340 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.082 -0.488 -19.318 1.00 0.00 H new ATOM 857 N GLU A 41 -2.107 -0.918 -16.800 1.00 0.00 N ATOM 858 CA GLU A 41 -3.086 -1.950 -17.272 1.00 0.00 C ATOM 859 C GLU A 41 -4.521 -1.607 -16.830 1.00 0.00 C ATOM 860 O GLU A 41 -4.733 -1.044 -15.764 1.00 0.00 O ATOM 861 CB GLU A 41 -2.625 -3.267 -16.603 1.00 0.00 C ATOM 862 CG GLU A 41 -2.261 -4.334 -17.652 1.00 0.00 C ATOM 863 CD GLU A 41 -1.418 -3.715 -18.766 1.00 0.00 C ATOM 864 OE1 GLU A 41 -0.236 -3.515 -18.540 1.00 0.00 O ATOM 865 OE2 GLU A 41 -1.971 -3.450 -19.822 1.00 0.00 O ATOM 0 H GLU A 41 -1.409 -1.263 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.106 -2.013 -18.360 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.762 -3.071 -15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.417 -3.645 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.710 -5.147 -17.178 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.169 -4.767 -18.071 1.00 0.00 H new ATOM 872 N PRO A 42 -5.472 -1.989 -17.655 1.00 0.00 N ATOM 873 CA PRO A 42 -6.901 -1.752 -17.325 1.00 0.00 C ATOM 874 C PRO A 42 -7.323 -2.723 -16.213 1.00 0.00 C ATOM 875 O PRO A 42 -6.805 -3.821 -16.122 1.00 0.00 O ATOM 876 CB PRO A 42 -7.627 -2.040 -18.638 1.00 0.00 C ATOM 877 CG PRO A 42 -6.722 -2.961 -19.395 1.00 0.00 C ATOM 878 CD PRO A 42 -5.311 -2.668 -18.951 1.00 0.00 C ATOM 0 HA PRO A 42 -7.118 -0.748 -16.959 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.597 -2.502 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.810 -1.122 -19.196 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.979 -4.001 -19.196 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.827 -2.806 -20.469 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.727 -3.583 -18.851 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.791 -2.035 -19.670 1.00 0.00 H new ATOM 886 N ASN A 43 -8.229 -2.328 -15.345 1.00 0.00 N ATOM 887 CA ASN A 43 -8.631 -3.242 -14.222 1.00 0.00 C ATOM 888 C ASN A 43 -7.365 -3.673 -13.477 1.00 0.00 C ATOM 889 O ASN A 43 -7.103 -4.848 -13.288 1.00 0.00 O ATOM 890 CB ASN A 43 -9.269 -4.451 -14.901 1.00 0.00 C ATOM 891 CG ASN A 43 -10.404 -4.987 -14.031 1.00 0.00 C ATOM 892 OD1 ASN A 43 -10.213 -5.276 -12.869 1.00 0.00 O ATOM 893 ND2 ASN A 43 -11.589 -5.127 -14.542 1.00 0.00 N ATOM 0 H ASN A 43 -8.702 -1.425 -15.364 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.312 -2.773 -13.512 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.651 -4.170 -15.882 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.521 -5.228 -15.060 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.354 -5.479 -13.967 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.755 -4.885 -15.519 1.00 0.00 H new ATOM 900 N SER A 44 -6.543 -2.727 -13.121 1.00 0.00 N ATOM 901 CA SER A 44 -5.251 -3.067 -12.467 1.00 0.00 C ATOM 902 C SER A 44 -4.739 -1.902 -11.614 1.00 0.00 C ATOM 903 O SER A 44 -4.459 -0.824 -12.112 1.00 0.00 O ATOM 904 CB SER A 44 -4.350 -3.330 -13.669 1.00 0.00 C ATOM 905 OG SER A 44 -3.087 -3.800 -13.229 1.00 0.00 O ATOM 0 H SER A 44 -6.711 -1.730 -13.255 1.00 0.00 H new ATOM 0 HA SER A 44 -5.309 -3.908 -11.776 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.812 -4.065 -14.328 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.226 -2.416 -14.249 1.00 0.00 H new ATOM 0 HG SER A 44 -2.690 -3.146 -12.616 1.00 0.00 H new ATOM 911 N TYR A 45 -4.615 -2.124 -10.331 1.00 0.00 N ATOM 912 CA TYR A 45 -4.108 -1.064 -9.398 1.00 0.00 C ATOM 913 C TYR A 45 -2.895 -1.619 -8.637 1.00 0.00 C ATOM 914 O TYR A 45 -2.810 -2.800 -8.410 1.00 0.00 O ATOM 915 CB TYR A 45 -5.271 -0.795 -8.435 1.00 0.00 C ATOM 916 CG TYR A 45 -5.685 0.652 -8.529 1.00 0.00 C ATOM 917 CD1 TYR A 45 -6.452 1.093 -9.612 1.00 0.00 C ATOM 918 CD2 TYR A 45 -5.301 1.551 -7.531 1.00 0.00 C ATOM 919 CE1 TYR A 45 -6.832 2.438 -9.697 1.00 0.00 C ATOM 920 CE2 TYR A 45 -5.676 2.896 -7.617 1.00 0.00 C ATOM 921 CZ TYR A 45 -6.444 3.341 -8.702 1.00 0.00 C ATOM 922 OH TYR A 45 -6.808 4.670 -8.807 1.00 0.00 O ATOM 0 H TYR A 45 -4.847 -3.009 -9.880 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.796 -0.154 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.114 -1.441 -8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.972 -1.032 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.751 0.397 -10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.714 1.207 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.426 2.779 -10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.374 3.591 -6.848 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.195 4.971 -7.959 1.00 0.00 H new ATOM 932 N ALA A 46 -1.957 -0.809 -8.240 1.00 0.00 N ATOM 933 CA ALA A 46 -0.776 -1.372 -7.506 1.00 0.00 C ATOM 934 C ALA A 46 -0.630 -0.731 -6.115 1.00 0.00 C ATOM 935 O ALA A 46 -0.861 0.453 -5.942 1.00 0.00 O ATOM 936 CB ALA A 46 0.424 -1.062 -8.406 1.00 0.00 C ATOM 0 H ALA A 46 -1.948 0.201 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.874 -2.442 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.334 -1.441 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.285 -1.540 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.508 0.016 -8.542 1.00 0.00 H new ATOM 942 N ILE A 47 -0.250 -1.512 -5.122 1.00 0.00 N ATOM 943 CA ILE A 47 -0.091 -0.957 -3.735 1.00 0.00 C ATOM 944 C ILE A 47 1.396 -0.920 -3.325 1.00 0.00 C ATOM 945 O ILE A 47 2.000 -1.933 -3.042 1.00 0.00 O ATOM 946 CB ILE A 47 -0.921 -1.875 -2.790 1.00 0.00 C ATOM 947 CG1 ILE A 47 -0.343 -3.289 -2.695 1.00 0.00 C ATOM 948 CG2 ILE A 47 -2.361 -1.995 -3.305 1.00 0.00 C ATOM 949 CD1 ILE A 47 -0.145 -3.650 -1.226 1.00 0.00 C ATOM 0 H ILE A 47 -0.044 -2.507 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.448 0.071 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.890 -1.413 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.016 -4.003 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.607 -3.343 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.934 -2.639 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.819 -1.007 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.355 -2.425 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.267 -4.656 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.544 -2.941 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.104 -3.611 -0.709 1.00 0.00 H new ATOM 961 N SER A 48 1.985 0.254 -3.276 1.00 0.00 N ATOM 962 CA SER A 48 3.429 0.366 -2.863 1.00 0.00 C ATOM 963 C SER A 48 3.570 -0.098 -1.412 1.00 0.00 C ATOM 964 O SER A 48 3.510 0.686 -0.482 1.00 0.00 O ATOM 965 CB SER A 48 3.817 1.852 -2.974 1.00 0.00 C ATOM 966 OG SER A 48 2.977 2.517 -3.912 1.00 0.00 O ATOM 0 H SER A 48 1.532 1.139 -3.503 1.00 0.00 H new ATOM 0 HA SER A 48 4.072 -0.249 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.732 2.330 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.859 1.940 -3.283 1.00 0.00 H new ATOM 0 HG SER A 48 2.232 2.943 -3.439 1.00 0.00 H new ATOM 972 N PHE A 49 3.718 -1.376 -1.215 1.00 0.00 N ATOM 973 CA PHE A 49 3.820 -1.913 0.170 1.00 0.00 C ATOM 974 C PHE A 49 5.238 -2.397 0.482 1.00 0.00 C ATOM 975 O PHE A 49 5.660 -3.449 0.029 1.00 0.00 O ATOM 976 CB PHE A 49 2.829 -3.083 0.176 1.00 0.00 C ATOM 977 CG PHE A 49 2.425 -3.445 1.591 1.00 0.00 C ATOM 978 CD1 PHE A 49 3.366 -3.430 2.632 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.107 -3.828 1.852 1.00 0.00 C ATOM 980 CE1 PHE A 49 2.982 -3.793 3.928 1.00 0.00 C ATOM 981 CE2 PHE A 49 0.728 -4.198 3.147 1.00 0.00 C ATOM 982 CZ PHE A 49 1.665 -4.180 4.184 1.00 0.00 C ATOM 0 H PHE A 49 3.773 -2.075 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 49 3.598 -1.160 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.944 -2.818 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.279 -3.948 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.387 -3.138 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.380 -3.838 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.705 -3.774 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.290 -4.498 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.370 -4.465 5.183 1.00 0.00 H new ATOM 992 N ARG A 50 5.955 -1.662 1.293 1.00 0.00 N ATOM 993 CA ARG A 50 7.327 -2.102 1.681 1.00 0.00 C ATOM 994 C ARG A 50 7.300 -2.609 3.124 1.00 0.00 C ATOM 995 O ARG A 50 7.094 -1.848 4.050 1.00 0.00 O ATOM 996 CB ARG A 50 8.217 -0.855 1.576 1.00 0.00 C ATOM 997 CG ARG A 50 9.686 -1.281 1.562 1.00 0.00 C ATOM 998 CD ARG A 50 10.521 -0.266 2.330 1.00 0.00 C ATOM 999 NE ARG A 50 11.699 -1.039 2.828 1.00 0.00 N ATOM 1000 CZ ARG A 50 12.894 -0.587 2.624 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.319 -0.399 1.414 1.00 0.00 N ATOM 1002 NH2 ARG A 50 13.669 -0.340 3.634 1.00 0.00 N ATOM 0 H ARG A 50 5.650 -0.779 1.702 1.00 0.00 H new ATOM 0 HA ARG A 50 7.697 -2.905 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.979 -0.300 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.028 -0.188 2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.793 -2.269 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.043 -1.358 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.832 0.558 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.956 0.168 3.155 1.00 0.00 H new ATOM 0 HE ARG A 50 11.562 -1.918 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.711 -0.607 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.261 -0.043 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.336 -0.502 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.612 0.016 3.478 1.00 0.00 H new ATOM 1016 N ALA A 51 7.522 -3.882 3.330 1.00 0.00 N ATOM 1017 CA ALA A 51 7.523 -4.422 4.726 1.00 0.00 C ATOM 1018 C ALA A 51 8.949 -4.819 5.118 1.00 0.00 C ATOM 1019 O ALA A 51 9.763 -5.142 4.272 1.00 0.00 O ATOM 1020 CB ALA A 51 6.602 -5.645 4.703 1.00 0.00 C ATOM 0 H ALA A 51 7.702 -4.569 2.597 1.00 0.00 H new ATOM 0 HA ALA A 51 7.177 -3.688 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.560 -6.087 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.601 -5.341 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.989 -6.379 3.996 1.00 0.00 H new ATOM 1026 N GLU A 52 9.261 -4.788 6.386 1.00 0.00 N ATOM 1027 CA GLU A 52 10.644 -5.151 6.820 1.00 0.00 C ATOM 1028 C GLU A 52 10.962 -6.606 6.444 1.00 0.00 C ATOM 1029 O GLU A 52 10.490 -7.544 7.055 1.00 0.00 O ATOM 1030 CB GLU A 52 10.675 -4.933 8.342 1.00 0.00 C ATOM 1031 CG GLU A 52 9.503 -5.659 9.035 1.00 0.00 C ATOM 1032 CD GLU A 52 9.756 -5.753 10.539 1.00 0.00 C ATOM 1033 OE1 GLU A 52 10.910 -5.792 10.941 1.00 0.00 O ATOM 1034 OE2 GLU A 52 8.783 -5.778 11.274 1.00 0.00 O ATOM 0 H GLU A 52 8.622 -4.529 7.138 1.00 0.00 H new ATOM 0 HA GLU A 52 11.401 -4.541 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.620 -5.297 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.625 -3.866 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.572 -5.123 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.385 -6.658 8.615 1.00 0.00 H new ATOM 1041 N GLY A 53 11.755 -6.790 5.417 1.00 0.00 N ATOM 1042 CA GLY A 53 12.106 -8.172 4.966 1.00 0.00 C ATOM 1043 C GLY A 53 10.885 -8.835 4.319 1.00 0.00 C ATOM 1044 O GLY A 53 10.706 -10.035 4.409 1.00 0.00 O ATOM 0 H GLY A 53 12.176 -6.039 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.930 -8.133 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.446 -8.766 5.815 1.00 0.00 H new ATOM 1048 N LYS A 54 10.048 -8.069 3.655 1.00 0.00 N ATOM 1049 CA LYS A 54 8.846 -8.670 3.002 1.00 0.00 C ATOM 1050 C LYS A 54 8.299 -7.731 1.921 1.00 0.00 C ATOM 1051 O LYS A 54 7.243 -7.130 2.062 1.00 0.00 O ATOM 1052 CB LYS A 54 7.820 -8.873 4.124 1.00 0.00 C ATOM 1053 CG LYS A 54 7.123 -10.225 3.927 1.00 0.00 C ATOM 1054 CD LYS A 54 5.615 -10.085 4.165 1.00 0.00 C ATOM 1055 CE LYS A 54 4.970 -11.475 4.125 1.00 0.00 C ATOM 1056 NZ LYS A 54 3.502 -11.245 4.265 1.00 0.00 N ATOM 0 H LYS A 54 10.147 -7.060 3.539 1.00 0.00 H new ATOM 0 HA LYS A 54 9.082 -9.612 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.314 -8.842 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.087 -8.067 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.306 -10.593 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.540 -10.961 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.429 -9.612 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.172 -9.443 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.199 -11.986 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.346 -12.104 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.004 -12.158 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.310 -10.766 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.167 -10.651 3.480 1.00 0.00 H new ATOM 1070 N ILE A 55 8.991 -7.621 0.823 1.00 0.00 N ATOM 1071 CA ILE A 55 8.492 -6.740 -0.267 1.00 0.00 C ATOM 1072 C ILE A 55 7.602 -7.583 -1.178 1.00 0.00 C ATOM 1073 O ILE A 55 7.959 -8.671 -1.585 1.00 0.00 O ATOM 1074 CB ILE A 55 9.730 -6.230 -1.003 1.00 0.00 C ATOM 1075 CG1 ILE A 55 10.592 -5.381 -0.060 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.280 -5.357 -2.173 1.00 0.00 C ATOM 1077 CD1 ILE A 55 9.782 -4.189 0.448 1.00 0.00 C ATOM 0 H ILE A 55 9.872 -8.098 0.634 1.00 0.00 H new ATOM 0 HA ILE A 55 7.905 -5.895 0.093 1.00 0.00 H new ATOM 0 HB ILE A 55 10.313 -7.080 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.932 -5.986 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.483 -5.031 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.154 -4.986 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.664 -5.947 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.700 -4.514 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.398 -3.589 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.464 -3.579 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.905 -4.548 0.987 1.00 0.00 H new ATOM 1089 N LYS A 56 6.421 -7.107 -1.448 1.00 0.00 N ATOM 1090 CA LYS A 56 5.460 -7.901 -2.274 1.00 0.00 C ATOM 1091 C LYS A 56 4.246 -7.053 -2.680 1.00 0.00 C ATOM 1092 O LYS A 56 3.247 -7.003 -1.989 1.00 0.00 O ATOM 1093 CB LYS A 56 5.007 -9.072 -1.367 1.00 0.00 C ATOM 1094 CG LYS A 56 5.088 -8.696 0.131 1.00 0.00 C ATOM 1095 CD LYS A 56 3.846 -7.891 0.550 1.00 0.00 C ATOM 1096 CE LYS A 56 4.156 -6.383 0.591 1.00 0.00 C ATOM 1097 NZ LYS A 56 4.920 -6.168 1.861 1.00 0.00 N ATOM 0 H LYS A 56 6.075 -6.201 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 56 5.925 -8.247 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.984 -9.352 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.632 -9.944 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.164 -9.600 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.988 -8.111 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.032 -8.080 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.506 -8.223 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.742 -6.079 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.239 -5.793 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.816 -5.179 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.549 -6.799 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.926 -6.377 1.701 1.00 0.00 H new ATOM 1111 N HIS A 57 4.319 -6.395 -3.796 1.00 0.00 N ATOM 1112 CA HIS A 57 3.162 -5.567 -4.245 1.00 0.00 C ATOM 1113 C HIS A 57 3.028 -5.657 -5.769 1.00 0.00 C ATOM 1114 O HIS A 57 3.994 -5.551 -6.501 1.00 0.00 O ATOM 1115 CB HIS A 57 3.439 -4.134 -3.765 1.00 0.00 C ATOM 1116 CG HIS A 57 4.914 -3.819 -3.790 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.651 -3.629 -2.630 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.795 -3.638 -4.826 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.913 -3.344 -2.995 1.00 0.00 C ATOM 1120 NE2 HIS A 57 7.056 -3.337 -4.323 1.00 0.00 N ATOM 0 H HIS A 57 5.126 -6.391 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 57 2.216 -5.914 -3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.904 -3.427 -4.399 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.056 -4.008 -2.752 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.299 -3.694 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.547 -3.717 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.714 -3.145 -2.299 1.00 0.00 H new ATOM 1128 N CYS A 58 1.833 -5.906 -6.230 1.00 0.00 N ATOM 1129 CA CYS A 58 1.589 -6.069 -7.692 1.00 0.00 C ATOM 1130 C CYS A 58 0.253 -5.425 -8.096 1.00 0.00 C ATOM 1131 O CYS A 58 -0.305 -4.623 -7.368 1.00 0.00 O ATOM 1132 CB CYS A 58 1.568 -7.579 -7.907 1.00 0.00 C ATOM 1133 SG CYS A 58 3.132 -8.114 -8.642 1.00 0.00 S ATOM 0 H CYS A 58 1.002 -6.005 -5.646 1.00 0.00 H new ATOM 0 HA CYS A 58 2.349 -5.581 -8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.409 -8.089 -6.957 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.737 -7.852 -8.558 1.00 0.00 H new ATOM 0 HG CYS A 58 2.931 -8.475 -9.875 1.00 0.00 H new ATOM 1139 N ARG A 59 -0.237 -5.740 -9.270 1.00 0.00 N ATOM 1140 CA ARG A 59 -1.503 -5.120 -9.749 1.00 0.00 C ATOM 1141 C ARG A 59 -2.754 -5.791 -9.150 1.00 0.00 C ATOM 1142 O ARG A 59 -2.897 -6.993 -9.131 1.00 0.00 O ATOM 1143 CB ARG A 59 -1.450 -5.267 -11.280 1.00 0.00 C ATOM 1144 CG ARG A 59 -2.070 -6.596 -11.744 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.515 -6.351 -12.195 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.151 -7.701 -12.270 1.00 0.00 N ATOM 1147 CZ ARG A 59 -3.673 -8.618 -13.052 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -3.817 -8.522 -14.332 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -3.049 -9.631 -12.556 1.00 0.00 N ATOM 0 H ARG A 59 0.190 -6.403 -9.917 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.583 -4.079 -9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.981 -4.436 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.414 -5.211 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.487 -7.016 -12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.049 -7.323 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.042 -5.709 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.543 -5.851 -13.163 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.971 -7.904 -11.699 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.308 -7.722 -14.731 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.439 -9.246 -14.943 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.930 -9.712 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.674 -10.351 -13.173 1.00 0.00 H new ATOM 1163 N VAL A 60 -3.656 -4.984 -8.670 1.00 0.00 N ATOM 1164 CA VAL A 60 -4.929 -5.478 -8.071 1.00 0.00 C ATOM 1165 C VAL A 60 -6.067 -5.247 -9.072 1.00 0.00 C ATOM 1166 O VAL A 60 -6.023 -4.322 -9.865 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.114 -4.617 -6.811 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -6.570 -4.160 -6.672 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -4.731 -5.437 -5.584 1.00 0.00 C ATOM 0 H VAL A 60 -3.561 -3.968 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.920 -6.541 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.477 -3.737 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.676 -3.552 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.851 -3.570 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.220 -5.032 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.860 -4.831 -4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.369 -6.318 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.689 -5.748 -5.665 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.088 -6.057 -9.033 1.00 0.00 N ATOM 1180 CA GLN A 61 -8.225 -5.859 -9.979 1.00 0.00 C ATOM 1181 C GLN A 61 -9.315 -5.029 -9.303 1.00 0.00 C ATOM 1182 O GLN A 61 -9.791 -5.377 -8.242 1.00 0.00 O ATOM 1183 CB GLN A 61 -8.731 -7.264 -10.310 1.00 0.00 C ATOM 1184 CG GLN A 61 -8.509 -7.533 -11.801 1.00 0.00 C ATOM 1185 CD GLN A 61 -7.318 -8.470 -11.992 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -6.304 -8.337 -11.335 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -7.390 -9.416 -12.879 1.00 0.00 N ATOM 0 H GLN A 61 -7.186 -6.844 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.928 -5.326 -10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.203 -8.006 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.790 -7.351 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.405 -7.977 -12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.331 -6.594 -12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.238 -9.532 -13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.598 -10.043 -13.022 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.705 -3.932 -9.899 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.759 -3.077 -9.276 1.00 0.00 C ATOM 1198 C GLN A 62 -12.124 -3.328 -9.931 1.00 0.00 C ATOM 1199 O GLN A 62 -12.223 -3.560 -11.121 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.280 -1.631 -9.486 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.736 -1.108 -10.856 1.00 0.00 C ATOM 1202 CD GLN A 62 -9.959 0.161 -11.216 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -9.329 0.231 -12.251 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -9.975 1.177 -10.400 1.00 0.00 N ATOM 0 H GLN A 62 -9.340 -3.592 -10.789 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.897 -3.298 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.675 -0.992 -8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.193 -1.588 -9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.576 -1.871 -11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.805 -0.897 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.503 1.123 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.460 2.026 -10.632 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.171 -3.288 -9.151 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.539 -3.525 -9.704 1.00 0.00 C ATOM 1215 C GLU A 63 -15.465 -2.378 -9.278 1.00 0.00 C ATOM 1216 O GLU A 63 -15.256 -1.757 -8.248 1.00 0.00 O ATOM 1217 CB GLU A 63 -14.958 -4.874 -9.089 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.452 -4.886 -8.725 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.278 -5.327 -9.937 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -17.057 -6.430 -10.410 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -18.116 -4.553 -10.369 1.00 0.00 O ATOM 0 H GLU A 63 -13.139 -3.100 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.581 -3.557 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.748 -5.678 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.363 -5.069 -8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.626 -5.563 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.765 -3.893 -8.402 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.490 -2.087 -10.049 1.00 0.00 N ATOM 1229 CA GLY A 64 -17.410 -0.979 -9.649 1.00 0.00 C ATOM 1230 C GLY A 64 -18.272 -1.471 -8.491 1.00 0.00 C ATOM 1231 O GLY A 64 -19.382 -1.925 -8.680 1.00 0.00 O ATOM 0 H GLY A 64 -16.724 -2.561 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.839 -0.100 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.037 -0.683 -10.490 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.732 -1.367 -7.300 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.410 -1.812 -6.037 1.00 0.00 C ATOM 1237 C GLN A 65 -17.309 -2.163 -5.041 1.00 0.00 C ATOM 1238 O GLN A 65 -17.235 -1.618 -3.958 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.227 -3.075 -6.362 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.724 -2.762 -6.269 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.496 -3.691 -7.204 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.399 -4.382 -6.784 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -21.183 -3.735 -8.465 1.00 0.00 N ATOM 0 H GLN A 65 -16.804 -0.973 -7.145 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.065 -1.042 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -18.982 -3.430 -7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -18.969 -3.875 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.070 -2.890 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.907 -1.722 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.424 -3.155 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.697 -4.349 -9.097 1.00 0.00 H new ATOM 1252 N THR A 66 -16.432 -3.063 -5.431 1.00 0.00 N ATOM 1253 CA THR A 66 -15.304 -3.459 -4.540 1.00 0.00 C ATOM 1254 C THR A 66 -14.108 -3.979 -5.362 1.00 0.00 C ATOM 1255 O THR A 66 -14.225 -4.909 -6.134 1.00 0.00 O ATOM 1256 CB THR A 66 -15.859 -4.583 -3.650 1.00 0.00 C ATOM 1257 OG1 THR A 66 -16.984 -4.112 -2.914 1.00 0.00 O ATOM 1258 CG2 THR A 66 -14.781 -5.055 -2.672 1.00 0.00 C ATOM 0 H THR A 66 -16.455 -3.539 -6.333 1.00 0.00 H new ATOM 0 HA THR A 66 -14.943 -2.611 -3.957 1.00 0.00 H new ATOM 0 HB THR A 66 -16.163 -5.414 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 66 -16.681 -3.725 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 -15.182 -5.851 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.923 -5.430 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.469 -4.221 -2.044 1.00 0.00 H new ATOM 1266 N VAL A 67 -12.952 -3.399 -5.157 1.00 0.00 N ATOM 1267 CA VAL A 67 -11.707 -3.854 -5.866 1.00 0.00 C ATOM 1268 C VAL A 67 -11.284 -5.206 -5.268 1.00 0.00 C ATOM 1269 O VAL A 67 -11.833 -5.637 -4.269 1.00 0.00 O ATOM 1270 CB VAL A 67 -10.658 -2.766 -5.537 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.370 -2.970 -6.337 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.216 -1.378 -5.862 1.00 0.00 C ATOM 0 H VAL A 67 -12.812 -2.616 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.832 -3.981 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.433 -2.844 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.655 -2.188 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.943 -3.944 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.593 -2.923 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.468 -0.621 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.464 -1.325 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.113 -1.199 -5.270 1.00 0.00 H new ATOM 1282 N MET A 68 -10.331 -5.894 -5.841 1.00 0.00 N ATOM 1283 CA MET A 68 -9.941 -7.194 -5.234 1.00 0.00 C ATOM 1284 C MET A 68 -8.420 -7.382 -5.181 1.00 0.00 C ATOM 1285 O MET A 68 -7.739 -7.460 -6.191 1.00 0.00 O ATOM 1286 CB MET A 68 -10.587 -8.253 -6.127 1.00 0.00 C ATOM 1287 CG MET A 68 -12.059 -8.402 -5.734 1.00 0.00 C ATOM 1288 SD MET A 68 -12.597 -10.108 -5.997 1.00 0.00 S ATOM 1289 CE MET A 68 -14.189 -9.964 -5.144 1.00 0.00 C ATOM 0 H MET A 68 -9.820 -5.620 -6.680 1.00 0.00 H new ATOM 0 HA MET A 68 -10.273 -7.258 -4.198 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.504 -7.964 -7.175 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.069 -9.206 -6.017 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.195 -8.126 -4.688 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.673 -7.723 -6.325 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.709 -10.921 -5.181 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.021 -9.682 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.796 -9.202 -5.633 1.00 0.00 H new ATOM 1299 N LEU A 69 -7.909 -7.504 -3.985 1.00 0.00 N ATOM 1300 CA LEU A 69 -6.454 -7.754 -3.778 1.00 0.00 C ATOM 1301 C LEU A 69 -6.229 -9.278 -3.734 1.00 0.00 C ATOM 1302 O LEU A 69 -7.136 -10.048 -3.998 1.00 0.00 O ATOM 1303 CB LEU A 69 -6.131 -7.101 -2.429 1.00 0.00 C ATOM 1304 CG LEU A 69 -4.619 -6.863 -2.317 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -4.327 -5.364 -2.313 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.094 -7.482 -1.020 1.00 0.00 C ATOM 0 H LEU A 69 -8.452 -7.439 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.820 -7.349 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.665 -6.156 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.469 -7.741 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.124 -7.326 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.252 -5.203 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.693 -4.920 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.828 -4.898 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.020 -7.311 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.596 -7.023 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.291 -8.554 -1.022 1.00 0.00 H new ATOM 1318 N GLY A 70 -5.045 -9.729 -3.417 1.00 0.00 N ATOM 1319 CA GLY A 70 -4.800 -11.203 -3.370 1.00 0.00 C ATOM 1320 C GLY A 70 -5.045 -11.731 -1.948 1.00 0.00 C ATOM 1321 O GLY A 70 -4.831 -11.040 -0.970 1.00 0.00 O ATOM 0 H GLY A 70 -4.240 -9.146 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.458 -11.712 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.777 -11.420 -3.676 1.00 0.00 H new ATOM 1325 N ASN A 71 -5.492 -12.961 -1.834 1.00 0.00 N ATOM 1326 CA ASN A 71 -5.753 -13.575 -0.483 1.00 0.00 C ATOM 1327 C ASN A 71 -6.607 -12.657 0.418 1.00 0.00 C ATOM 1328 O ASN A 71 -6.573 -12.775 1.629 1.00 0.00 O ATOM 1329 CB ASN A 71 -4.358 -13.771 0.130 1.00 0.00 C ATOM 1330 CG ASN A 71 -4.085 -15.260 0.353 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -4.383 -16.079 -0.491 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -3.517 -15.650 1.458 1.00 0.00 N ATOM 0 H ASN A 71 -5.690 -13.574 -2.625 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.315 -14.505 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.600 -13.349 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.290 -13.235 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.325 -16.640 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.264 -14.965 2.171 1.00 0.00 H new ATOM 1339 N SER A 72 -7.365 -11.748 -0.149 1.00 0.00 N ATOM 1340 CA SER A 72 -8.202 -10.830 0.695 1.00 0.00 C ATOM 1341 C SER A 72 -9.072 -9.923 -0.189 1.00 0.00 C ATOM 1342 O SER A 72 -8.771 -9.706 -1.348 1.00 0.00 O ATOM 1343 CB SER A 72 -7.192 -9.993 1.499 1.00 0.00 C ATOM 1344 OG SER A 72 -6.269 -9.362 0.612 1.00 0.00 O ATOM 0 H SER A 72 -7.442 -11.601 -1.155 1.00 0.00 H new ATOM 0 HA SER A 72 -8.884 -11.381 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.717 -9.240 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.656 -10.631 2.202 1.00 0.00 H new ATOM 0 HG SER A 72 -5.701 -10.042 0.193 1.00 0.00 H new ATOM 1350 N GLU A 73 -10.145 -9.385 0.345 1.00 0.00 N ATOM 1351 CA GLU A 73 -11.014 -8.487 -0.481 1.00 0.00 C ATOM 1352 C GLU A 73 -10.373 -7.099 -0.593 1.00 0.00 C ATOM 1353 O GLU A 73 -9.240 -6.891 -0.195 1.00 0.00 O ATOM 1354 CB GLU A 73 -12.363 -8.406 0.244 1.00 0.00 C ATOM 1355 CG GLU A 73 -13.494 -8.699 -0.751 1.00 0.00 C ATOM 1356 CD GLU A 73 -13.752 -10.204 -0.816 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -12.933 -10.901 -1.392 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -14.767 -10.633 -0.292 1.00 0.00 O ATOM 0 H GLU A 73 -10.453 -9.527 1.307 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.140 -8.869 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.391 -9.123 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.495 -7.416 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.402 -8.178 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.227 -8.324 -1.739 1.00 0.00 H new ATOM 1365 N PHE A 74 -11.080 -6.152 -1.147 1.00 0.00 N ATOM 1366 CA PHE A 74 -10.504 -4.783 -1.306 1.00 0.00 C ATOM 1367 C PHE A 74 -11.616 -3.785 -1.656 1.00 0.00 C ATOM 1368 O PHE A 74 -11.832 -3.469 -2.807 1.00 0.00 O ATOM 1369 CB PHE A 74 -9.534 -4.954 -2.483 1.00 0.00 C ATOM 1370 CG PHE A 74 -8.303 -4.079 -2.371 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -7.997 -3.372 -1.201 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -7.449 -3.990 -3.474 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -6.848 -2.585 -1.145 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -6.298 -3.199 -3.414 1.00 0.00 C ATOM 1375 CZ PHE A 74 -5.998 -2.496 -2.248 1.00 0.00 C ATOM 0 H PHE A 74 -12.031 -6.265 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.020 -4.401 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.226 -5.998 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.055 -4.721 -3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.650 -3.437 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.680 -4.535 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.614 -2.041 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.642 -3.133 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.110 -1.884 -2.199 1.00 0.00 H new ATOM 1385 N ASP A 75 -12.328 -3.276 -0.689 1.00 0.00 N ATOM 1386 CA ASP A 75 -13.423 -2.321 -1.032 1.00 0.00 C ATOM 1387 C ASP A 75 -12.834 -0.946 -1.369 1.00 0.00 C ATOM 1388 O ASP A 75 -12.274 -0.250 -0.548 1.00 0.00 O ATOM 1389 CB ASP A 75 -14.329 -2.262 0.201 1.00 0.00 C ATOM 1390 CG ASP A 75 -15.736 -1.849 -0.225 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -16.310 -2.539 -1.054 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -16.213 -0.849 0.282 1.00 0.00 O ATOM 0 H ASP A 75 -12.205 -3.473 0.304 1.00 0.00 H new ATOM 0 HA ASP A 75 -13.988 -2.639 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.356 -3.234 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.932 -1.550 0.924 1.00 0.00 H new ATOM 1397 N SER A 76 -12.943 -0.579 -2.612 1.00 0.00 N ATOM 1398 CA SER A 76 -12.390 0.720 -3.099 1.00 0.00 C ATOM 1399 C SER A 76 -10.895 0.834 -2.766 1.00 0.00 C ATOM 1400 O SER A 76 -10.390 1.921 -2.584 1.00 0.00 O ATOM 1401 CB SER A 76 -13.210 1.802 -2.383 1.00 0.00 C ATOM 1402 OG SER A 76 -14.422 2.019 -3.102 1.00 0.00 O ATOM 0 H SER A 76 -13.403 -1.137 -3.332 1.00 0.00 H new ATOM 0 HA SER A 76 -12.464 0.817 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.429 1.493 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.638 2.728 -2.321 1.00 0.00 H new ATOM 0 HG SER A 76 -14.952 2.708 -2.649 1.00 0.00 H new ATOM 1408 N LEU A 77 -10.183 -0.283 -2.689 1.00 0.00 N ATOM 1409 CA LEU A 77 -8.706 -0.258 -2.366 1.00 0.00 C ATOM 1410 C LEU A 77 -8.459 0.315 -0.956 1.00 0.00 C ATOM 1411 O LEU A 77 -7.869 -0.332 -0.093 1.00 0.00 O ATOM 1412 CB LEU A 77 -8.068 0.626 -3.442 1.00 0.00 C ATOM 1413 CG LEU A 77 -7.449 -0.263 -4.521 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -7.908 0.210 -5.898 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -5.927 -0.177 -4.445 1.00 0.00 C ATOM 0 H LEU A 77 -10.567 -1.216 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.276 -1.260 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.818 1.283 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.305 1.265 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.766 -1.294 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.466 -0.424 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.995 0.151 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.591 1.241 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.488 -0.811 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.613 0.855 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.592 -0.513 -3.464 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.922 1.516 -0.714 1.00 0.00 N ATOM 1428 CA VAL A 78 -8.758 2.150 0.617 1.00 0.00 C ATOM 1429 C VAL A 78 -9.247 1.203 1.711 1.00 0.00 C ATOM 1430 O VAL A 78 -8.775 1.239 2.801 1.00 0.00 O ATOM 1431 CB VAL A 78 -9.634 3.411 0.559 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -11.115 3.030 0.401 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -9.461 4.211 1.848 1.00 0.00 C ATOM 0 H VAL A 78 -9.415 2.089 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.718 2.386 0.844 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.326 4.010 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.721 3.935 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.249 2.463 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.427 2.421 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.082 5.106 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.761 3.599 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.416 4.500 1.959 1.00 0.00 H new ATOM 1443 N ASP A 79 -10.190 0.357 1.423 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.700 -0.574 2.465 1.00 0.00 C ATOM 1445 C ASP A 79 -9.556 -1.403 3.097 1.00 0.00 C ATOM 1446 O ASP A 79 -9.142 -1.143 4.214 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.694 -1.448 1.724 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.234 -2.527 2.652 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -13.048 -2.198 3.501 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -11.824 -3.663 2.496 1.00 0.00 O ATOM 0 H ASP A 79 -10.632 0.268 0.508 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.159 -0.052 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.515 -0.839 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.213 -1.907 0.860 1.00 0.00 H new ATOM 1455 N LEU A 80 -9.042 -2.391 2.397 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.936 -3.226 2.975 1.00 0.00 C ATOM 1457 C LEU A 80 -6.664 -2.385 3.200 1.00 0.00 C ATOM 1458 O LEU A 80 -6.009 -2.507 4.235 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.751 -4.406 1.991 1.00 0.00 C ATOM 1460 CG LEU A 80 -6.344 -4.451 1.390 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -5.301 -4.714 2.478 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -6.281 -5.580 0.364 1.00 0.00 C ATOM 0 H LEU A 80 -9.338 -2.654 1.457 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.172 -3.611 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.951 -5.343 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.483 -4.324 1.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.130 -3.491 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.308 -4.742 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.342 -3.918 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.510 -5.670 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.282 -5.621 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.503 -6.529 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.012 -5.397 -0.423 1.00 0.00 H new ATOM 1474 N ILE A 81 -6.309 -1.501 2.293 1.00 0.00 N ATOM 1475 CA ILE A 81 -5.086 -0.676 2.564 1.00 0.00 C ATOM 1476 C ILE A 81 -5.351 0.225 3.780 1.00 0.00 C ATOM 1477 O ILE A 81 -4.457 0.497 4.562 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.784 0.129 1.291 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.559 -0.851 0.125 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.518 0.967 1.511 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -3.075 -1.221 -0.002 1.00 0.00 C ATOM 0 H ILE A 81 -6.790 -1.320 1.412 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.218 -1.291 2.803 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.619 0.791 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.150 -1.753 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.907 -0.401 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.300 1.540 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.674 1.650 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.679 0.307 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.943 -1.914 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.490 -0.320 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.737 -1.692 0.921 1.00 0.00 H new ATOM 1493 N SER A 82 -6.585 0.641 3.991 1.00 0.00 N ATOM 1494 CA SER A 82 -6.887 1.462 5.203 1.00 0.00 C ATOM 1495 C SER A 82 -6.875 0.541 6.423 1.00 0.00 C ATOM 1496 O SER A 82 -6.452 0.927 7.493 1.00 0.00 O ATOM 1497 CB SER A 82 -8.262 2.094 5.018 1.00 0.00 C ATOM 1498 OG SER A 82 -8.490 3.019 6.069 1.00 0.00 O ATOM 0 H SER A 82 -7.381 0.448 3.383 1.00 0.00 H new ATOM 0 HA SER A 82 -6.147 2.250 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.318 2.599 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.034 1.324 5.020 1.00 0.00 H new ATOM 0 HG SER A 82 -7.631 3.307 6.443 1.00 0.00 H new ATOM 1504 N TYR A 83 -7.291 -0.701 6.262 1.00 0.00 N ATOM 1505 CA TYR A 83 -7.227 -1.649 7.417 1.00 0.00 C ATOM 1506 C TYR A 83 -5.778 -1.641 7.907 1.00 0.00 C ATOM 1507 O TYR A 83 -5.507 -1.495 9.084 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.624 -3.028 6.869 1.00 0.00 C ATOM 1509 CG TYR A 83 -9.111 -3.083 6.576 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -9.949 -2.009 6.910 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.649 -4.219 5.958 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -11.317 -2.076 6.627 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -11.017 -4.284 5.678 1.00 0.00 C ATOM 1514 CZ TYR A 83 -11.849 -3.212 6.012 1.00 0.00 C ATOM 1515 OH TYR A 83 -13.194 -3.272 5.728 1.00 0.00 O ATOM 0 H TYR A 83 -7.664 -1.088 5.395 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.887 -1.385 8.243 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.061 -3.239 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.362 -3.801 7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.538 -1.131 7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.006 -5.046 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.962 -1.249 6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.431 -5.162 5.204 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.326 -3.218 4.759 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.842 -1.716 6.984 1.00 0.00 N ATOM 1526 CA TYR A 84 -3.396 -1.623 7.374 1.00 0.00 C ATOM 1527 C TYR A 84 -3.151 -0.210 7.948 1.00 0.00 C ATOM 1528 O TYR A 84 -2.447 -0.021 8.919 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.614 -1.822 6.067 1.00 0.00 C ATOM 1530 CG TYR A 84 -2.082 -3.234 5.977 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -1.226 -3.730 6.970 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -2.432 -4.044 4.889 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -0.724 -5.032 6.875 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -1.926 -5.347 4.794 1.00 0.00 C ATOM 1535 CZ TYR A 84 -1.072 -5.839 5.788 1.00 0.00 C ATOM 1536 OH TYR A 84 -0.570 -7.120 5.697 1.00 0.00 O ATOM 0 H TYR A 84 -5.016 -1.837 5.986 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.096 -2.356 8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.261 -1.616 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.788 -1.112 6.019 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.954 -3.107 7.809 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.092 -3.664 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.067 -5.414 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.195 -5.971 3.955 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.418 -7.476 6.597 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.769 0.778 7.347 1.00 0.00 N ATOM 1547 CA GLU A 85 -3.651 2.200 7.816 1.00 0.00 C ATOM 1548 C GLU A 85 -4.118 2.348 9.268 1.00 0.00 C ATOM 1549 O GLU A 85 -3.646 3.204 10.006 1.00 0.00 O ATOM 1550 CB GLU A 85 -4.579 2.956 6.860 1.00 0.00 C ATOM 1551 CG GLU A 85 -4.355 4.464 6.954 1.00 0.00 C ATOM 1552 CD GLU A 85 -5.662 5.221 6.649 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -6.640 4.592 6.287 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -5.661 6.429 6.809 1.00 0.00 O ATOM 0 H GLU A 85 -4.366 0.657 6.529 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.626 2.570 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.403 2.622 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.617 2.724 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.001 4.724 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.579 4.767 6.251 1.00 0.00 H new ATOM 1561 N LYS A 86 -5.040 1.540 9.699 1.00 0.00 N ATOM 1562 CA LYS A 86 -5.518 1.655 11.106 1.00 0.00 C ATOM 1563 C LYS A 86 -4.792 0.626 11.990 1.00 0.00 C ATOM 1564 O LYS A 86 -4.312 0.951 13.061 1.00 0.00 O ATOM 1565 CB LYS A 86 -7.020 1.374 11.026 1.00 0.00 C ATOM 1566 CG LYS A 86 -7.691 2.352 10.052 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.389 3.790 10.479 1.00 0.00 C ATOM 1568 CE LYS A 86 -6.506 4.474 9.436 1.00 0.00 C ATOM 1569 NZ LYS A 86 -5.379 5.052 10.227 1.00 0.00 N ATOM 0 H LYS A 86 -5.483 0.808 9.144 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.320 2.631 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.189 0.349 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.468 1.469 12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.328 2.179 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.768 2.185 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.320 4.345 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.889 3.792 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.146 3.763 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.053 5.249 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.898 5.782 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.750 5.478 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.703 4.300 10.469 1.00 0.00 H new ATOM 1583 N HIS A 87 -4.666 -0.592 11.524 1.00 0.00 N ATOM 1584 CA HIS A 87 -3.937 -1.641 12.305 1.00 0.00 C ATOM 1585 C HIS A 87 -2.933 -2.347 11.385 1.00 0.00 C ATOM 1586 O HIS A 87 -3.213 -3.400 10.839 1.00 0.00 O ATOM 1587 CB HIS A 87 -5.023 -2.605 12.794 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.414 -3.634 13.709 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -3.626 -4.669 13.234 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -4.473 -3.801 15.069 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -3.246 -5.410 14.293 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -3.735 -4.923 15.436 1.00 0.00 N ATOM 0 H HIS A 87 -5.040 -0.908 10.629 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.371 -1.235 13.144 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.803 -2.053 13.319 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.497 -3.095 11.944 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.378 -4.839 12.259 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.010 -3.159 15.752 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.623 -6.289 14.226 1.00 0.00 H new ATOM 1600 N PRO A 88 -1.792 -1.721 11.237 1.00 0.00 N ATOM 1601 CA PRO A 88 -0.730 -2.268 10.369 1.00 0.00 C ATOM 1602 C PRO A 88 0.018 -3.395 11.114 1.00 0.00 C ATOM 1603 O PRO A 88 -0.561 -4.429 11.364 1.00 0.00 O ATOM 1604 CB PRO A 88 0.147 -1.048 10.083 1.00 0.00 C ATOM 1605 CG PRO A 88 -0.063 -0.134 11.248 1.00 0.00 C ATOM 1606 CD PRO A 88 -1.397 -0.459 11.863 1.00 0.00 C ATOM 0 HA PRO A 88 -1.084 -2.726 9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.196 -1.330 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.140 -0.567 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.735 -0.261 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.036 0.907 10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.321 -0.560 12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.126 0.327 11.667 1.00 0.00 H new ATOM 1614 N LEU A 89 1.274 -3.183 11.485 1.00 0.00 N ATOM 1615 CA LEU A 89 2.094 -4.216 12.235 1.00 0.00 C ATOM 1616 C LEU A 89 3.600 -3.929 12.032 1.00 0.00 C ATOM 1617 O LEU A 89 4.005 -2.791 11.873 1.00 0.00 O ATOM 1618 CB LEU A 89 1.748 -5.611 11.661 1.00 0.00 C ATOM 1619 CG LEU A 89 1.402 -6.589 12.804 1.00 0.00 C ATOM 1620 CD1 LEU A 89 2.560 -6.679 13.808 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.141 -6.116 13.531 1.00 0.00 C ATOM 0 H LEU A 89 1.777 -2.316 11.294 1.00 0.00 H new ATOM 0 HA LEU A 89 1.870 -4.179 13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.905 -5.531 10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.591 -5.995 11.087 1.00 0.00 H new ATOM 0 HG LEU A 89 1.230 -7.574 12.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.297 -7.373 14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.456 -7.034 13.299 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.751 -5.693 14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.097 -6.811 14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.312 -5.123 13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.691 -6.076 12.828 1.00 0.00 H new ATOM 1633 N TYR A 90 4.425 -4.958 12.034 1.00 0.00 N ATOM 1634 CA TYR A 90 5.902 -4.784 11.844 1.00 0.00 C ATOM 1635 C TYR A 90 6.484 -3.894 12.960 1.00 0.00 C ATOM 1636 O TYR A 90 6.753 -4.367 14.049 1.00 0.00 O ATOM 1637 CB TYR A 90 6.063 -4.168 10.446 1.00 0.00 C ATOM 1638 CG TYR A 90 5.769 -5.238 9.418 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.388 -6.488 9.519 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.863 -4.992 8.382 1.00 0.00 C ATOM 1641 CE1 TYR A 90 6.103 -7.490 8.590 1.00 0.00 C ATOM 1642 CE2 TYR A 90 4.581 -5.996 7.446 1.00 0.00 C ATOM 1643 CZ TYR A 90 5.202 -7.245 7.554 1.00 0.00 C ATOM 1644 OH TYR A 90 4.912 -8.245 6.648 1.00 0.00 O ATOM 0 H TYR A 90 4.128 -5.925 12.162 1.00 0.00 H new ATOM 0 HA TYR A 90 6.450 -5.724 11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.383 -3.325 10.322 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.074 -3.783 10.315 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.089 -6.679 10.318 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.381 -4.029 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.580 -8.455 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.885 -5.806 6.642 1.00 0.00 H new ATOM 0 HH TYR A 90 4.266 -7.913 5.990 1.00 0.00 H new ATOM 1654 N ARG A 91 6.657 -2.615 12.715 1.00 0.00 N ATOM 1655 CA ARG A 91 7.197 -1.701 13.778 1.00 0.00 C ATOM 1656 C ARG A 91 7.166 -0.236 13.307 1.00 0.00 C ATOM 1657 O ARG A 91 6.707 0.633 14.021 1.00 0.00 O ATOM 1658 CB ARG A 91 8.632 -2.176 14.069 1.00 0.00 C ATOM 1659 CG ARG A 91 9.453 -2.279 12.776 1.00 0.00 C ATOM 1660 CD ARG A 91 10.859 -2.798 13.105 1.00 0.00 C ATOM 1661 NE ARG A 91 10.745 -4.288 13.059 1.00 0.00 N ATOM 1662 CZ ARG A 91 10.149 -4.931 14.016 1.00 0.00 C ATOM 1663 NH1 ARG A 91 10.575 -4.827 15.235 1.00 0.00 N ATOM 1664 NH2 ARG A 91 9.138 -5.688 13.742 1.00 0.00 N ATOM 0 H ARG A 91 6.448 -2.163 11.825 1.00 0.00 H new ATOM 0 HA ARG A 91 6.591 -1.739 14.683 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.116 -1.482 14.756 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.604 -3.147 14.564 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.961 -2.950 12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.517 -1.303 12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.592 -2.436 12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.185 -2.458 14.088 1.00 0.00 H new ATOM 0 HE ARG A 91 11.138 -4.802 12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.381 -4.238 15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.104 -5.334 15.985 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.814 -5.777 12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.664 -6.197 14.489 1.00 0.00 H new ATOM 1678 N LYS A 92 7.619 0.047 12.109 1.00 0.00 N ATOM 1679 CA LYS A 92 7.578 1.457 11.608 1.00 0.00 C ATOM 1680 C LYS A 92 6.625 1.560 10.403 1.00 0.00 C ATOM 1681 O LYS A 92 6.829 2.345 9.487 1.00 0.00 O ATOM 1682 CB LYS A 92 9.030 1.804 11.239 1.00 0.00 C ATOM 1683 CG LYS A 92 9.412 1.236 9.861 1.00 0.00 C ATOM 1684 CD LYS A 92 10.436 2.173 9.207 1.00 0.00 C ATOM 1685 CE LYS A 92 9.792 3.537 8.909 1.00 0.00 C ATOM 1686 NZ LYS A 92 8.607 3.239 8.053 1.00 0.00 N ATOM 0 H LYS A 92 8.013 -0.634 11.460 1.00 0.00 H new ATOM 0 HA LYS A 92 7.197 2.158 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.157 2.887 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.704 1.406 11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.830 0.235 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.527 1.146 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.294 2.304 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.809 1.729 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.495 4.040 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.491 4.197 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.376 4.074 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.823 2.436 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.795 2.999 8.656 1.00 0.00 H new ATOM 1700 N MET A 93 5.579 0.772 10.416 1.00 0.00 N ATOM 1701 CA MET A 93 4.583 0.791 9.307 1.00 0.00 C ATOM 1702 C MET A 93 3.218 1.230 9.851 1.00 0.00 C ATOM 1703 O MET A 93 2.692 0.636 10.773 1.00 0.00 O ATOM 1704 CB MET A 93 4.532 -0.659 8.810 1.00 0.00 C ATOM 1705 CG MET A 93 3.432 -0.799 7.752 1.00 0.00 C ATOM 1706 SD MET A 93 3.554 -2.418 6.959 1.00 0.00 S ATOM 1707 CE MET A 93 1.954 -3.065 7.509 1.00 0.00 C ATOM 0 H MET A 93 5.372 0.107 11.161 1.00 0.00 H new ATOM 0 HA MET A 93 4.846 1.484 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.496 -0.944 8.388 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.337 -1.334 9.644 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.452 -0.683 8.215 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.528 -0.010 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.771 -4.031 7.039 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.963 -3.184 8.592 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.164 -2.369 7.227 1.00 0.00 H new ATOM 1717 N LYS A 94 2.642 2.263 9.288 1.00 0.00 N ATOM 1718 CA LYS A 94 1.311 2.740 9.769 1.00 0.00 C ATOM 1719 C LYS A 94 0.672 3.676 8.730 1.00 0.00 C ATOM 1720 O LYS A 94 -0.132 4.525 9.067 1.00 0.00 O ATOM 1721 CB LYS A 94 1.602 3.498 11.074 1.00 0.00 C ATOM 1722 CG LYS A 94 1.216 2.630 12.282 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.184 3.012 12.794 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.153 3.188 11.620 1.00 0.00 C ATOM 1725 NZ LYS A 94 -2.517 3.109 12.219 1.00 0.00 N ATOM 0 H LYS A 94 3.038 2.797 8.514 1.00 0.00 H new ATOM 0 HA LYS A 94 0.613 1.918 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.659 3.758 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.042 4.433 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.232 1.577 12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.949 2.758 13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.555 2.239 13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.128 3.936 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.997 4.145 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.007 2.411 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.231 3.272 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.659 2.167 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.613 3.833 12.959 1.00 0.00 H new ATOM 1739 N LEU A 95 1.019 3.509 7.469 1.00 0.00 N ATOM 1740 CA LEU A 95 0.447 4.361 6.369 1.00 0.00 C ATOM 1741 C LEU A 95 0.842 5.843 6.533 1.00 0.00 C ATOM 1742 O LEU A 95 1.468 6.420 5.661 1.00 0.00 O ATOM 1743 CB LEU A 95 -1.073 4.151 6.457 1.00 0.00 C ATOM 1744 CG LEU A 95 -1.452 2.824 5.788 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -1.399 2.979 4.280 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.503 1.701 6.208 1.00 0.00 C ATOM 0 H LEU A 95 1.686 2.806 7.152 1.00 0.00 H new ATOM 0 HA LEU A 95 0.833 4.079 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.389 4.147 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.592 4.976 5.970 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.462 2.563 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.669 2.035 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.100 3.754 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.390 3.260 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.797 0.773 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.516 1.958 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.550 1.570 7.289 1.00 0.00 H new ATOM 1758 N ARG A 96 0.510 6.463 7.635 1.00 0.00 N ATOM 1759 CA ARG A 96 0.887 7.903 7.838 1.00 0.00 C ATOM 1760 C ARG A 96 2.374 8.036 8.231 1.00 0.00 C ATOM 1761 O ARG A 96 2.715 8.740 9.170 1.00 0.00 O ATOM 1762 CB ARG A 96 -0.023 8.389 8.975 1.00 0.00 C ATOM 1763 CG ARG A 96 -0.811 9.623 8.519 1.00 0.00 C ATOM 1764 CD ARG A 96 0.075 10.871 8.596 1.00 0.00 C ATOM 1765 NE ARG A 96 0.449 11.000 10.038 1.00 0.00 N ATOM 1766 CZ ARG A 96 1.561 11.581 10.372 1.00 0.00 C ATOM 1767 NH1 ARG A 96 2.691 10.974 10.182 1.00 0.00 N ATOM 1768 NH2 ARG A 96 1.538 12.767 10.895 1.00 0.00 N ATOM 0 H ARG A 96 -0.006 6.039 8.406 1.00 0.00 H new ATOM 0 HA ARG A 96 0.761 8.491 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.710 7.595 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.575 8.632 9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.165 9.481 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.692 9.754 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.960 10.765 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.459 11.755 8.247 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.170 10.631 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.706 10.041 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.565 11.430 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.648 13.242 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.410 13.225 11.158 1.00 0.00 H new ATOM 1782 N TYR A 97 3.263 7.388 7.513 1.00 0.00 N ATOM 1783 CA TYR A 97 4.714 7.486 7.842 1.00 0.00 C ATOM 1784 C TYR A 97 5.507 7.796 6.564 1.00 0.00 C ATOM 1785 O TYR A 97 5.189 7.279 5.505 1.00 0.00 O ATOM 1786 CB TYR A 97 5.071 6.101 8.395 1.00 0.00 C ATOM 1787 CG TYR A 97 6.229 6.212 9.357 1.00 0.00 C ATOM 1788 CD1 TYR A 97 7.532 6.324 8.866 1.00 0.00 C ATOM 1789 CD2 TYR A 97 5.999 6.200 10.739 1.00 0.00 C ATOM 1790 CE1 TYR A 97 8.608 6.426 9.754 1.00 0.00 C ATOM 1791 CE2 TYR A 97 7.077 6.301 11.627 1.00 0.00 C ATOM 1792 CZ TYR A 97 8.381 6.414 11.132 1.00 0.00 C ATOM 1793 OH TYR A 97 9.444 6.513 12.003 1.00 0.00 O ATOM 0 H TYR A 97 3.041 6.796 6.713 1.00 0.00 H new ATOM 0 HA TYR A 97 4.945 8.277 8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.208 5.669 8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.330 5.429 7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.709 6.332 7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.992 6.113 11.119 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.615 6.514 9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.902 6.292 12.693 1.00 0.00 H new ATOM 0 HH TYR A 97 9.114 6.490 12.926 1.00 0.00 H new ATOM 1803 N PRO A 98 6.508 8.638 6.691 1.00 0.00 N ATOM 1804 CA PRO A 98 7.323 9.009 5.519 1.00 0.00 C ATOM 1805 C PRO A 98 8.508 8.053 5.407 1.00 0.00 C ATOM 1806 O PRO A 98 8.580 7.037 6.076 1.00 0.00 O ATOM 1807 CB PRO A 98 7.849 10.388 5.886 1.00 0.00 C ATOM 1808 CG PRO A 98 7.918 10.386 7.381 1.00 0.00 C ATOM 1809 CD PRO A 98 6.969 9.329 7.901 1.00 0.00 C ATOM 0 HA PRO A 98 6.768 8.981 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.830 10.567 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.187 11.174 5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.935 10.179 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.647 11.366 7.775 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.471 8.644 8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.137 9.774 8.448 1.00 0.00 H new ATOM 1817 N ILE A 99 9.451 8.382 4.587 1.00 0.00 N ATOM 1818 CA ILE A 99 10.642 7.522 4.454 1.00 0.00 C ATOM 1819 C ILE A 99 11.882 8.316 4.881 1.00 0.00 C ATOM 1820 O ILE A 99 12.446 9.083 4.125 1.00 0.00 O ATOM 1821 CB ILE A 99 10.662 7.099 2.987 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.694 8.329 2.051 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.407 6.251 2.696 1.00 0.00 C ATOM 1824 CD1 ILE A 99 9.289 8.650 1.523 1.00 0.00 C ATOM 0 H ILE A 99 9.448 9.215 3.999 1.00 0.00 H new ATOM 0 HA ILE A 99 10.626 6.637 5.090 1.00 0.00 H new ATOM 0 HB ILE A 99 11.563 6.515 2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.091 9.190 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.367 8.138 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.410 5.943 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.409 5.368 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.514 6.842 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.337 9.519 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.906 7.795 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.626 8.864 2.361 1.00 0.00 H new ATOM 1836 N ASN A 100 12.285 8.161 6.113 1.00 0.00 N ATOM 1837 CA ASN A 100 13.457 8.931 6.624 1.00 0.00 C ATOM 1838 C ASN A 100 14.776 8.351 6.092 1.00 0.00 C ATOM 1839 O ASN A 100 15.205 7.282 6.486 1.00 0.00 O ATOM 1840 CB ASN A 100 13.374 8.795 8.149 1.00 0.00 C ATOM 1841 CG ASN A 100 12.358 9.801 8.697 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.166 9.631 8.531 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.778 10.846 9.351 1.00 0.00 N ATOM 0 H ASN A 100 11.852 7.533 6.790 1.00 0.00 H new ATOM 0 HA ASN A 100 13.436 9.972 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.079 7.781 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.353 8.972 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.107 11.519 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.778 10.992 9.492 1.00 0.00 H new ATOM 1850 N GLU A 101 15.420 9.062 5.200 1.00 0.00 N ATOM 1851 CA GLU A 101 16.717 8.580 4.632 1.00 0.00 C ATOM 1852 C GLU A 101 17.882 9.065 5.506 1.00 0.00 C ATOM 1853 O GLU A 101 18.290 10.211 5.433 1.00 0.00 O ATOM 1854 CB GLU A 101 16.787 9.212 3.233 1.00 0.00 C ATOM 1855 CG GLU A 101 17.144 8.146 2.185 1.00 0.00 C ATOM 1856 CD GLU A 101 16.487 8.497 0.844 1.00 0.00 C ATOM 1857 OE1 GLU A 101 16.793 9.550 0.312 1.00 0.00 O ATOM 1858 OE2 GLU A 101 15.688 7.704 0.373 1.00 0.00 O ATOM 0 H GLU A 101 15.101 9.961 4.839 1.00 0.00 H new ATOM 0 HA GLU A 101 16.782 7.493 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.829 9.670 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.533 10.007 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.226 8.087 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.806 7.165 2.520 1.00 0.00 H new