USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 84 HIS : no HD1:sc= 1.06 K(o=2.4,f=-7.9!) USER MOD Set 1.2: A 86 THR OG1 : rot -84:sc= 1.32 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 169:sc= 1.35 (180deg=1.24) USER MOD Set 2.2: A 78 TYR OH : rot 40:sc= 1.09 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= -0.0708 F(o=-1.7,f=-0.071) USER MOD Set 4.1: A 8 GLN : amide:sc= -0.617 X(o=-0.59,f=-0.95) USER MOD Set 4.2: A 26 TYR OH : rot 10:sc= 0.0319 USER MOD Set 4.3: A 28 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 0 MET N :NH3+ 146:sc= 0.788 (180deg=0) USER MOD Set 5.2: A 2 GLN : amide:sc= 0.617 K(o=1.4,f=-5.5!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 35:sc= 0.109 USER MOD Single : A 13 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.31) USER MOD Single : A 17 ASN : amide:sc= 0.0382 K(o=0.038,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 34:sc= 0.128 USER MOD Single : A 21 ASN : amide:sc= 0.438 K(o=0.44,f=-1.7) USER MOD Single : A 31 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc=-0.00169 (180deg=-0.0921) USER MOD Single : A 51 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.26) USER MOD Single : A 52 SER OG : rot -43:sc= 0.332 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -97:sc= 1.21 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= -0.116 (180deg=-0.294) USER MOD Single : A 61 SER OG : rot 180:sc= 0.193 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 67 TYR OH : rot -24:sc= 0.347 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.862 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -50:sc= 1.17 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00402 K(o=-0.004,f=-3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 176:sc= 0 (180deg=-0.0258) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.269 -22.593 -6.102 1.00 0.00 N ATOM 2 CA MET A 0 -6.742 -22.993 -4.785 1.00 0.00 C ATOM 3 C MET A 0 -5.349 -22.391 -4.563 1.00 0.00 C ATOM 4 O MET A 0 -4.744 -21.903 -5.516 1.00 0.00 O ATOM 5 CB MET A 0 -6.767 -24.527 -4.664 1.00 0.00 C ATOM 6 CG MET A 0 -6.462 -25.082 -3.265 1.00 0.00 C ATOM 7 SD MET A 0 -7.437 -24.376 -1.904 1.00 0.00 S ATOM 8 CE MET A 0 -6.666 -25.235 -0.508 1.00 0.00 C ATOM 0 H1 MET A 0 -7.845 -23.365 -6.495 1.00 0.00 H new ATOM 0 H2 MET A 0 -7.857 -21.742 -5.997 1.00 0.00 H new ATOM 0 H3 MET A 0 -6.478 -22.390 -6.745 1.00 0.00 H new ATOM 0 HA MET A 0 -7.376 -22.598 -3.991 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.750 -24.883 -4.971 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.044 -24.942 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 0 -6.621 -26.160 -3.280 1.00 0.00 H new ATOM 0 HG3 MET A 0 -5.405 -24.919 -3.053 1.00 0.00 H new ATOM 0 HE1 MET A 0 -7.143 -24.921 0.421 1.00 0.00 H new ATOM 0 HE2 MET A 0 -6.786 -26.311 -0.632 1.00 0.00 H new ATOM 0 HE3 MET A 0 -5.605 -24.990 -0.471 1.00 0.00 H new ATOM 20 N ILE A 1 -4.862 -22.400 -3.314 1.00 0.00 N ATOM 21 CA ILE A 1 -3.590 -21.820 -2.890 1.00 0.00 C ATOM 22 C ILE A 1 -3.683 -20.289 -2.963 1.00 0.00 C ATOM 23 O ILE A 1 -2.899 -19.630 -3.642 1.00 0.00 O ATOM 24 CB ILE A 1 -2.389 -22.441 -3.644 1.00 0.00 C ATOM 25 CG1 ILE A 1 -2.433 -23.983 -3.710 1.00 0.00 C ATOM 26 CG2 ILE A 1 -1.053 -21.994 -3.030 1.00 0.00 C ATOM 27 CD1 ILE A 1 -2.418 -24.676 -2.343 1.00 0.00 C ATOM 0 H ILE A 1 -5.370 -22.832 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.394 -22.071 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.468 -22.070 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.332 -24.286 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.580 -24.334 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.229 -22.447 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.973 -20.908 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.008 -22.309 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.451 -25.757 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.507 -24.407 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.285 -24.358 -1.764 1.00 0.00 H new ATOM 39 N GLN A 2 -4.692 -19.736 -2.275 1.00 0.00 N ATOM 40 CA GLN A 2 -5.100 -18.341 -2.388 1.00 0.00 C ATOM 41 C GLN A 2 -4.844 -17.596 -1.074 1.00 0.00 C ATOM 42 O GLN A 2 -5.791 -17.248 -0.370 1.00 0.00 O ATOM 43 CB GLN A 2 -6.590 -18.305 -2.768 1.00 0.00 C ATOM 44 CG GLN A 2 -6.814 -18.824 -4.196 1.00 0.00 C ATOM 45 CD GLN A 2 -8.275 -19.165 -4.473 1.00 0.00 C ATOM 46 OE1 GLN A 2 -8.571 -20.244 -4.983 1.00 0.00 O ATOM 47 NE2 GLN A 2 -9.192 -18.253 -4.145 1.00 0.00 N ATOM 0 H GLN A 2 -5.257 -20.265 -1.610 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.515 -17.840 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.162 -18.911 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.964 -17.284 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.479 -18.071 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.201 -19.711 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.905 -17.370 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.180 -18.439 -4.316 1.00 0.00 H new ATOM 56 N ARG A 3 -3.574 -17.326 -0.744 1.00 0.00 N ATOM 57 CA ARG A 3 -3.236 -16.507 0.414 1.00 0.00 C ATOM 58 C ARG A 3 -3.494 -15.036 0.070 1.00 0.00 C ATOM 59 O ARG A 3 -2.731 -14.423 -0.674 1.00 0.00 O ATOM 60 CB ARG A 3 -1.789 -16.761 0.856 1.00 0.00 C ATOM 61 CG ARG A 3 -1.670 -17.980 1.776 1.00 0.00 C ATOM 62 CD ARG A 3 -0.191 -18.316 1.991 1.00 0.00 C ATOM 63 NE ARG A 3 0.024 -19.124 3.199 1.00 0.00 N ATOM 64 CZ ARG A 3 0.173 -18.641 4.445 1.00 0.00 C ATOM 65 NH1 ARG A 3 0.116 -17.323 4.694 1.00 0.00 N ATOM 66 NH2 ARG A 3 0.377 -19.494 5.458 1.00 0.00 N ATOM 0 H ARG A 3 -2.767 -17.666 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.866 -16.777 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.163 -16.910 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.409 -15.880 1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.150 -17.775 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.187 -18.833 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.187 -18.856 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.383 -17.392 2.067 1.00 0.00 H new ATOM 0 HE ARG A 3 0.064 -20.137 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.043 -16.666 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.232 -16.979 5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.418 -20.497 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.492 -19.140 6.408 1.00 0.00 H new ATOM 80 N THR A 4 -4.596 -14.495 0.605 1.00 0.00 N ATOM 81 CA THR A 4 -5.070 -13.132 0.378 1.00 0.00 C ATOM 82 C THR A 4 -4.160 -12.095 1.065 1.00 0.00 C ATOM 83 O THR A 4 -3.600 -12.387 2.122 1.00 0.00 O ATOM 84 CB THR A 4 -6.541 -13.036 0.829 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.127 -11.807 0.457 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.718 -13.202 2.339 1.00 0.00 C ATOM 0 H THR A 4 -5.204 -15.020 1.233 1.00 0.00 H new ATOM 0 HA THR A 4 -5.023 -12.897 -0.685 1.00 0.00 H new ATOM 0 HB THR A 4 -7.040 -13.861 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.059 -11.785 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.775 -13.124 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.343 -14.179 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.162 -12.421 2.858 1.00 0.00 H new ATOM 94 N PRO A 5 -3.997 -10.887 0.490 1.00 0.00 N ATOM 95 CA PRO A 5 -3.186 -9.812 1.053 1.00 0.00 C ATOM 96 C PRO A 5 -3.753 -9.268 2.365 1.00 0.00 C ATOM 97 O PRO A 5 -4.856 -8.726 2.393 1.00 0.00 O ATOM 98 CB PRO A 5 -3.125 -8.722 -0.024 1.00 0.00 C ATOM 99 CG PRO A 5 -4.375 -8.973 -0.859 1.00 0.00 C ATOM 100 CD PRO A 5 -4.483 -10.494 -0.822 1.00 0.00 C ATOM 0 HA PRO A 5 -2.193 -10.181 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.130 -7.724 0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.219 -8.802 -0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.254 -8.491 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.268 -8.596 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.513 -10.818 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.887 -10.949 -1.613 1.00 0.00 H new ATOM 108 N LYS A 6 -2.959 -9.375 3.439 1.00 0.00 N ATOM 109 CA LYS A 6 -3.190 -8.699 4.700 1.00 0.00 C ATOM 110 C LYS A 6 -2.569 -7.306 4.599 1.00 0.00 C ATOM 111 O LYS A 6 -1.345 -7.176 4.597 1.00 0.00 O ATOM 112 CB LYS A 6 -2.544 -9.509 5.829 1.00 0.00 C ATOM 113 CG LYS A 6 -2.928 -8.911 7.184 1.00 0.00 C ATOM 114 CD LYS A 6 -1.955 -9.379 8.268 1.00 0.00 C ATOM 115 CE LYS A 6 -2.261 -8.657 9.583 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.232 -8.924 10.601 1.00 0.00 N ATOM 0 H LYS A 6 -2.118 -9.953 3.443 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.255 -8.609 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.869 -10.548 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.460 -9.508 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.920 -7.823 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.944 -9.208 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.040 -10.457 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.929 -9.177 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.325 -7.584 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.234 -8.977 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.472 -8.419 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.188 -9.946 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.308 -8.596 10.255 1.00 0.00 H new ATOM 130 N ILE A 7 -3.416 -6.277 4.517 1.00 0.00 N ATOM 131 CA ILE A 7 -2.993 -4.888 4.434 1.00 0.00 C ATOM 132 C ILE A 7 -2.753 -4.326 5.835 1.00 0.00 C ATOM 133 O ILE A 7 -3.504 -4.631 6.761 1.00 0.00 O ATOM 134 CB ILE A 7 -4.027 -4.063 3.641 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.372 -3.823 4.359 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.296 -4.752 2.298 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.415 -2.515 5.163 1.00 0.00 C ATOM 0 H ILE A 7 -4.429 -6.393 4.507 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.048 -4.826 3.894 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.579 -3.077 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.172 -3.811 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.570 -4.659 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.026 -4.174 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.368 -4.818 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.685 -5.755 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.390 -2.413 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.637 -2.531 5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.249 -1.671 4.494 1.00 0.00 H new ATOM 149 N GLN A 8 -1.726 -3.485 5.990 1.00 0.00 N ATOM 150 CA GLN A 8 -1.553 -2.610 7.120 1.00 0.00 C ATOM 151 C GLN A 8 -1.014 -1.289 6.563 1.00 0.00 C ATOM 152 O GLN A 8 0.194 -1.111 6.434 1.00 0.00 O ATOM 153 CB GLN A 8 -0.659 -3.276 8.174 1.00 0.00 C ATOM 154 CG GLN A 8 0.539 -4.100 7.677 1.00 0.00 C ATOM 155 CD GLN A 8 0.182 -5.489 7.146 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.722 -6.147 7.655 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.906 -5.952 6.125 1.00 0.00 N ATOM 0 H GLN A 8 -0.977 -3.403 5.303 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.484 -2.405 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.279 -2.495 8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.286 -3.929 8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.044 -3.543 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.251 -4.210 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.650 -5.379 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.716 -6.879 5.744 1.00 0.00 H new ATOM 166 N VAL A 9 -1.927 -0.386 6.178 1.00 0.00 N ATOM 167 CA VAL A 9 -1.598 0.886 5.546 1.00 0.00 C ATOM 168 C VAL A 9 -1.604 1.983 6.609 1.00 0.00 C ATOM 169 O VAL A 9 -2.671 2.367 7.084 1.00 0.00 O ATOM 170 CB VAL A 9 -2.575 1.187 4.396 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.174 2.486 3.683 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.586 0.045 3.372 1.00 0.00 C ATOM 0 H VAL A 9 -2.929 -0.528 6.302 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.602 0.838 5.106 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.571 1.292 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.874 2.687 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.195 3.312 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.168 2.382 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.284 0.283 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.586 -0.081 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.895 -0.879 3.861 1.00 0.00 H new ATOM 182 N TYR A 10 -0.411 2.458 6.993 1.00 0.00 N ATOM 183 CA TYR A 10 -0.224 3.369 8.116 1.00 0.00 C ATOM 184 C TYR A 10 0.491 4.648 7.688 1.00 0.00 C ATOM 185 O TYR A 10 1.204 4.678 6.683 1.00 0.00 O ATOM 186 CB TYR A 10 0.538 2.659 9.245 1.00 0.00 C ATOM 187 CG TYR A 10 1.848 2.005 8.847 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.051 2.736 8.868 1.00 0.00 C ATOM 189 CD2 TYR A 10 1.871 0.636 8.523 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.257 2.115 8.495 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.071 0.023 8.129 1.00 0.00 C ATOM 192 CZ TYR A 10 4.260 0.770 8.089 1.00 0.00 C ATOM 193 OH TYR A 10 5.418 0.192 7.658 1.00 0.00 O ATOM 0 H TYR A 10 0.460 2.213 6.521 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.206 3.662 8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.740 3.384 10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.112 1.896 9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.048 3.773 9.170 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.962 0.055 8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.181 2.673 8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.080 -1.022 7.857 1.00 0.00 H new ATOM 0 HH TYR A 10 5.247 -0.742 7.416 1.00 0.00 H new ATOM 203 N SER A 11 0.319 5.695 8.501 1.00 0.00 N ATOM 204 CA SER A 11 1.108 6.912 8.456 1.00 0.00 C ATOM 205 C SER A 11 2.378 6.697 9.284 1.00 0.00 C ATOM 206 O SER A 11 2.298 6.238 10.422 1.00 0.00 O ATOM 207 CB SER A 11 0.277 8.065 9.022 1.00 0.00 C ATOM 208 OG SER A 11 -0.291 7.710 10.267 1.00 0.00 O ATOM 0 H SER A 11 -0.397 5.711 9.227 1.00 0.00 H new ATOM 0 HA SER A 11 1.388 7.157 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.905 8.947 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.513 8.329 8.319 1.00 0.00 H new ATOM 0 HG SER A 11 0.331 7.134 10.758 1.00 0.00 H new ATOM 214 N ARG A 12 3.548 7.021 8.722 1.00 0.00 N ATOM 215 CA ARG A 12 4.817 6.932 9.437 1.00 0.00 C ATOM 216 C ARG A 12 5.002 8.190 10.296 1.00 0.00 C ATOM 217 O ARG A 12 5.274 8.102 11.492 1.00 0.00 O ATOM 218 CB ARG A 12 5.969 6.750 8.432 1.00 0.00 C ATOM 219 CG ARG A 12 7.054 5.778 8.915 1.00 0.00 C ATOM 220 CD ARG A 12 7.747 6.248 10.197 1.00 0.00 C ATOM 221 NE ARG A 12 8.801 5.308 10.597 1.00 0.00 N ATOM 222 CZ ARG A 12 9.394 5.289 11.804 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.094 6.211 12.731 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.292 4.335 12.082 1.00 0.00 N ATOM 0 H ARG A 12 3.637 7.351 7.761 1.00 0.00 H new ATOM 0 HA ARG A 12 4.818 6.066 10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.563 6.389 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.424 7.720 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.607 4.799 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.799 5.654 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.177 7.238 10.041 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.014 6.341 10.998 1.00 0.00 H new ATOM 0 HE ARG A 12 9.106 4.619 9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.409 6.938 12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.551 6.185 13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.521 3.631 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.747 4.313 12.995 1.00 0.00 H new ATOM 238 N HIS A 13 4.853 9.356 9.658 1.00 0.00 N ATOM 239 CA HIS A 13 5.044 10.685 10.231 1.00 0.00 C ATOM 240 C HIS A 13 3.666 11.305 10.531 1.00 0.00 C ATOM 241 O HIS A 13 2.659 10.785 10.049 1.00 0.00 O ATOM 242 CB HIS A 13 5.830 11.511 9.202 1.00 0.00 C ATOM 243 CG HIS A 13 7.241 11.058 8.925 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.830 9.972 9.575 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.142 11.581 8.035 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.053 9.879 9.046 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.288 10.818 8.116 1.00 0.00 N ATOM 0 H HIS A 13 4.581 9.396 8.676 1.00 0.00 H new ATOM 0 HA HIS A 13 5.599 10.653 11.169 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.277 11.504 8.263 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.863 12.545 9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.984 12.433 7.390 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.775 9.129 9.335 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.144 10.943 7.576 1.00 0.00 H new ATOM 255 N PRO A 14 3.574 12.399 11.311 1.00 0.00 N ATOM 256 CA PRO A 14 2.299 13.028 11.637 1.00 0.00 C ATOM 257 C PRO A 14 1.791 13.871 10.458 1.00 0.00 C ATOM 258 O PRO A 14 2.417 14.861 10.087 1.00 0.00 O ATOM 259 CB PRO A 14 2.572 13.869 12.887 1.00 0.00 C ATOM 260 CG PRO A 14 4.047 14.240 12.751 1.00 0.00 C ATOM 261 CD PRO A 14 4.656 13.016 12.065 1.00 0.00 C ATOM 0 HA PRO A 14 1.511 12.300 11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.937 14.754 12.922 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.382 13.305 13.800 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.181 15.143 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.506 14.427 13.722 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.475 13.305 11.407 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.066 12.322 12.798 1.00 0.00 H new ATOM 269 N ALA A 15 0.664 13.457 9.863 1.00 0.00 N ATOM 270 CA ALA A 15 0.105 14.021 8.638 1.00 0.00 C ATOM 271 C ALA A 15 -0.249 15.503 8.786 1.00 0.00 C ATOM 272 O ALA A 15 -1.104 15.859 9.595 1.00 0.00 O ATOM 273 CB ALA A 15 -1.124 13.206 8.229 1.00 0.00 C ATOM 0 H ALA A 15 0.101 12.694 10.238 1.00 0.00 H new ATOM 0 HA ALA A 15 0.865 13.964 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.548 13.621 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.833 12.170 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.868 13.246 9.024 1.00 0.00 H new ATOM 279 N GLU A 16 0.403 16.354 7.984 1.00 0.00 N ATOM 280 CA GLU A 16 0.224 17.801 7.974 1.00 0.00 C ATOM 281 C GLU A 16 0.351 18.308 6.535 1.00 0.00 C ATOM 282 O GLU A 16 1.287 17.934 5.830 1.00 0.00 O ATOM 283 CB GLU A 16 1.279 18.464 8.872 1.00 0.00 C ATOM 284 CG GLU A 16 1.028 18.224 10.365 1.00 0.00 C ATOM 285 CD GLU A 16 2.050 18.976 11.214 1.00 0.00 C ATOM 286 OE1 GLU A 16 1.809 20.178 11.459 1.00 0.00 O ATOM 287 OE2 GLU A 16 3.059 18.343 11.592 1.00 0.00 O ATOM 0 H GLU A 16 1.093 16.037 7.302 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.763 18.055 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.265 18.082 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.291 19.537 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.021 18.550 10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.084 17.157 10.581 1.00 0.00 H new ATOM 294 N ASN A 17 -0.589 19.159 6.101 1.00 0.00 N ATOM 295 CA ASN A 17 -0.607 19.740 4.767 1.00 0.00 C ATOM 296 C ASN A 17 0.610 20.641 4.551 1.00 0.00 C ATOM 297 O ASN A 17 1.048 21.328 5.474 1.00 0.00 O ATOM 298 CB ASN A 17 -1.921 20.505 4.563 1.00 0.00 C ATOM 299 CG ASN A 17 -2.072 21.692 5.511 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.365 21.509 6.690 1.00 0.00 O ATOM 301 ND2 ASN A 17 -1.883 22.912 5.003 1.00 0.00 N ATOM 0 H ASN A 17 -1.369 19.463 6.684 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.551 18.944 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.973 20.860 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.759 19.823 4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.981 23.734 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.641 23.023 4.018 1.00 0.00 H new ATOM 308 N GLY A 18 1.184 20.605 3.341 1.00 0.00 N ATOM 309 CA GLY A 18 2.402 21.331 3.003 1.00 0.00 C ATOM 310 C GLY A 18 3.654 20.603 3.501 1.00 0.00 C ATOM 311 O GLY A 18 4.601 20.407 2.742 1.00 0.00 O ATOM 0 H GLY A 18 0.806 20.062 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.461 21.458 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.364 22.329 3.440 1.00 0.00 H new ATOM 315 N LYS A 19 3.654 20.205 4.779 1.00 0.00 N ATOM 316 CA LYS A 19 4.759 19.545 5.457 1.00 0.00 C ATOM 317 C LYS A 19 4.790 18.068 5.098 1.00 0.00 C ATOM 318 O LYS A 19 4.311 17.198 5.824 1.00 0.00 O ATOM 319 CB LYS A 19 4.598 19.755 6.948 1.00 0.00 C ATOM 320 CG LYS A 19 5.687 19.184 7.874 1.00 0.00 C ATOM 321 CD LYS A 19 7.112 19.688 7.601 1.00 0.00 C ATOM 322 CE LYS A 19 7.895 18.717 6.706 1.00 0.00 C ATOM 323 NZ LYS A 19 9.273 19.183 6.482 1.00 0.00 N ATOM 0 H LYS A 19 2.847 20.343 5.388 1.00 0.00 H new ATOM 0 HA LYS A 19 5.710 19.972 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.532 20.828 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.643 19.322 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.426 19.423 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.681 18.097 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.067 20.667 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.639 19.818 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.914 17.730 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.385 18.611 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.774 18.505 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.254 20.114 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.766 19.260 7.394 1.00 0.00 H new ATOM 337 N SER A 20 5.391 17.853 3.937 1.00 0.00 N ATOM 338 CA SER A 20 5.586 16.570 3.275 1.00 0.00 C ATOM 339 C SER A 20 5.964 15.484 4.276 1.00 0.00 C ATOM 340 O SER A 20 6.882 15.655 5.080 1.00 0.00 O ATOM 341 CB SER A 20 6.667 16.678 2.204 1.00 0.00 C ATOM 342 OG SER A 20 7.872 17.170 2.756 1.00 0.00 O ATOM 0 H SER A 20 5.783 18.623 3.395 1.00 0.00 H new ATOM 0 HA SER A 20 4.641 16.295 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.840 15.700 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.330 17.340 1.406 1.00 0.00 H new ATOM 0 HG SER A 20 7.969 16.842 3.674 1.00 0.00 H new ATOM 348 N ASN A 21 5.203 14.396 4.230 1.00 0.00 N ATOM 349 CA ASN A 21 5.077 13.432 5.311 1.00 0.00 C ATOM 350 C ASN A 21 5.572 12.059 4.839 1.00 0.00 C ATOM 351 O ASN A 21 6.482 12.015 4.014 1.00 0.00 O ATOM 352 CB ASN A 21 3.611 13.475 5.764 1.00 0.00 C ATOM 353 CG ASN A 21 3.459 13.109 7.232 1.00 0.00 C ATOM 354 OD1 ASN A 21 4.058 13.745 8.094 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.660 12.085 7.522 1.00 0.00 N ATOM 0 H ASN A 21 4.641 14.156 3.414 1.00 0.00 H new ATOM 0 HA ASN A 21 5.700 13.665 6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.208 14.474 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.023 12.788 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.526 11.801 8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.181 11.584 6.774 1.00 0.00 H new ATOM 362 N PHE A 22 5.007 10.943 5.332 1.00 0.00 N ATOM 363 CA PHE A 22 5.341 9.614 4.824 1.00 0.00 C ATOM 364 C PHE A 22 4.179 8.629 4.979 1.00 0.00 C ATOM 365 O PHE A 22 3.750 8.333 6.094 1.00 0.00 O ATOM 366 CB PHE A 22 6.631 9.070 5.459 1.00 0.00 C ATOM 367 CG PHE A 22 7.768 8.919 4.468 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.717 7.888 3.511 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.816 9.857 4.430 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.707 7.795 2.518 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.818 9.751 3.450 1.00 0.00 C ATOM 372 CZ PHE A 22 9.757 8.728 2.486 1.00 0.00 C ATOM 0 H PHE A 22 4.317 10.942 6.083 1.00 0.00 H new ATOM 0 HA PHE A 22 5.525 9.723 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.943 9.739 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.424 8.102 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.914 7.166 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.851 10.658 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.661 7.007 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.636 10.456 3.437 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.517 8.660 1.722 1.00 0.00 H new ATOM 382 N LEU A 23 3.689 8.129 3.838 1.00 0.00 N ATOM 383 CA LEU A 23 2.579 7.199 3.689 1.00 0.00 C ATOM 384 C LEU A 23 3.159 5.835 3.352 1.00 0.00 C ATOM 385 O LEU A 23 3.894 5.713 2.374 1.00 0.00 O ATOM 386 CB LEU A 23 1.670 7.703 2.566 1.00 0.00 C ATOM 387 CG LEU A 23 0.552 6.753 2.146 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.384 6.513 3.327 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.228 7.423 1.009 1.00 0.00 C ATOM 0 H LEU A 23 4.090 8.386 2.936 1.00 0.00 H new ATOM 0 HA LEU A 23 1.990 7.123 4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.222 8.646 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.286 7.919 1.693 1.00 0.00 H new ATOM 0 HG LEU A 23 0.964 5.798 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.182 5.834 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.176 6.072 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.815 7.461 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.036 6.767 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.645 8.367 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.442 7.613 0.171 1.00 0.00 H new ATOM 401 N ASN A 24 2.867 4.828 4.183 1.00 0.00 N ATOM 402 CA ASN A 24 3.460 3.506 4.091 1.00 0.00 C ATOM 403 C ASN A 24 2.343 2.487 3.894 1.00 0.00 C ATOM 404 O ASN A 24 1.737 2.050 4.874 1.00 0.00 O ATOM 405 CB ASN A 24 4.227 3.190 5.380 1.00 0.00 C ATOM 406 CG ASN A 24 5.617 3.820 5.513 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.810 5.068 5.079 1.00 0.00 O flip ATOM 408 ND2 ASN A 24 6.528 3.176 6.026 1.00 0.00 N flip ATOM 0 H ASN A 24 2.199 4.919 4.949 1.00 0.00 H new ATOM 0 HA ASN A 24 4.154 3.467 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.622 3.514 6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.332 2.108 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.359 2.224 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.453 3.593 6.127 1.00 0.00 H new ATOM 415 N CYS A 25 2.105 2.067 2.644 1.00 0.00 N ATOM 416 CA CYS A 25 1.307 0.874 2.405 1.00 0.00 C ATOM 417 C CYS A 25 2.238 -0.302 2.635 1.00 0.00 C ATOM 418 O CYS A 25 3.288 -0.370 2.003 1.00 0.00 O ATOM 419 CB CYS A 25 0.701 0.805 0.995 1.00 0.00 C ATOM 420 SG CYS A 25 -0.158 2.291 0.424 1.00 0.00 S ATOM 0 H CYS A 25 2.449 2.530 1.803 1.00 0.00 H new ATOM 0 HA CYS A 25 0.449 0.874 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.500 0.578 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.001 -0.030 0.963 1.00 0.00 H new ATOM 425 N TYR A 26 1.873 -1.199 3.551 1.00 0.00 N ATOM 426 CA TYR A 26 2.598 -2.430 3.797 1.00 0.00 C ATOM 427 C TYR A 26 1.598 -3.565 3.651 1.00 0.00 C ATOM 428 O TYR A 26 0.555 -3.539 4.297 1.00 0.00 O ATOM 429 CB TYR A 26 3.219 -2.390 5.199 1.00 0.00 C ATOM 430 CG TYR A 26 3.935 -3.658 5.635 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.657 -4.431 4.708 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.824 -4.105 6.965 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.134 -5.701 5.064 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.293 -5.380 7.324 1.00 0.00 C ATOM 435 CZ TYR A 26 4.956 -6.178 6.373 1.00 0.00 C ATOM 436 OH TYR A 26 5.431 -7.408 6.724 1.00 0.00 O ATOM 0 H TYR A 26 1.054 -1.083 4.147 1.00 0.00 H new ATOM 0 HA TYR A 26 3.417 -2.570 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.926 -1.562 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.431 -2.172 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.845 -4.045 3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.377 -3.466 7.712 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.639 -6.313 4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.145 -5.747 8.329 1.00 0.00 H new ATOM 0 HH TYR A 26 5.998 -7.757 6.005 1.00 0.00 H new ATOM 446 N VAL A 27 1.901 -4.540 2.790 1.00 0.00 N ATOM 447 CA VAL A 27 1.051 -5.696 2.556 1.00 0.00 C ATOM 448 C VAL A 27 1.900 -6.926 2.825 1.00 0.00 C ATOM 449 O VAL A 27 3.064 -6.949 2.426 1.00 0.00 O ATOM 450 CB VAL A 27 0.538 -5.714 1.107 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.589 -6.739 0.958 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.026 -4.366 0.681 1.00 0.00 C ATOM 0 H VAL A 27 2.755 -4.543 2.232 1.00 0.00 H new ATOM 0 HA VAL A 27 0.178 -5.667 3.208 1.00 0.00 H new ATOM 0 HB VAL A 27 1.394 -5.966 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.944 -6.742 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.216 -7.730 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.411 -6.476 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.376 -4.427 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.858 -4.098 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.752 -3.606 0.755 1.00 0.00 H new ATOM 462 N SER A 28 1.330 -7.943 3.480 1.00 0.00 N ATOM 463 CA SER A 28 2.025 -9.194 3.721 1.00 0.00 C ATOM 464 C SER A 28 1.046 -10.358 3.889 1.00 0.00 C ATOM 465 O SER A 28 -0.147 -10.209 3.626 1.00 0.00 O ATOM 466 CB SER A 28 2.978 -9.038 4.916 1.00 0.00 C ATOM 467 OG SER A 28 2.264 -8.793 6.107 1.00 0.00 O ATOM 0 H SER A 28 0.381 -7.915 3.852 1.00 0.00 H new ATOM 0 HA SER A 28 2.629 -9.440 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.577 -9.942 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.670 -8.217 4.728 1.00 0.00 H new ATOM 0 HG SER A 28 2.893 -8.699 6.852 1.00 0.00 H new ATOM 473 N GLY A 29 1.562 -11.534 4.278 1.00 0.00 N ATOM 474 CA GLY A 29 0.771 -12.738 4.495 1.00 0.00 C ATOM 475 C GLY A 29 0.517 -13.510 3.199 1.00 0.00 C ATOM 476 O GLY A 29 0.402 -14.736 3.226 1.00 0.00 O ATOM 0 H GLY A 29 2.558 -11.669 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.286 -13.385 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.183 -12.466 4.946 1.00 0.00 H new ATOM 480 N PHE A 30 0.417 -12.791 2.073 1.00 0.00 N ATOM 481 CA PHE A 30 0.064 -13.344 0.779 1.00 0.00 C ATOM 482 C PHE A 30 1.200 -14.177 0.187 1.00 0.00 C ATOM 483 O PHE A 30 2.337 -14.094 0.639 1.00 0.00 O ATOM 484 CB PHE A 30 -0.360 -12.220 -0.173 1.00 0.00 C ATOM 485 CG PHE A 30 0.726 -11.226 -0.536 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.580 -11.502 -1.618 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.854 -10.006 0.155 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.571 -10.589 -1.996 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.861 -9.099 -0.211 1.00 0.00 C ATOM 490 CZ PHE A 30 2.715 -9.394 -1.283 1.00 0.00 C ATOM 0 H PHE A 30 0.585 -11.785 2.047 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.780 -14.020 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.739 -12.669 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.188 -11.676 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.470 -12.428 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.179 -9.769 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.220 -10.805 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.978 -8.174 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.489 -8.694 -1.560 1.00 0.00 H new ATOM 500 N HIS A 31 0.865 -14.941 -0.857 1.00 0.00 N ATOM 501 CA HIS A 31 1.747 -15.493 -1.885 1.00 0.00 C ATOM 502 C HIS A 31 0.789 -15.941 -3.002 1.00 0.00 C ATOM 503 O HIS A 31 -0.352 -16.287 -2.690 1.00 0.00 O ATOM 504 CB HIS A 31 2.672 -16.600 -1.338 1.00 0.00 C ATOM 505 CG HIS A 31 2.191 -18.027 -1.407 1.00 0.00 C ATOM 506 ND1 HIS A 31 2.265 -18.862 -0.293 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.821 -18.779 -2.492 1.00 0.00 C ATOM 508 CE1 HIS A 31 1.896 -20.066 -0.737 1.00 0.00 C ATOM 509 NE2 HIS A 31 1.608 -20.067 -2.048 1.00 0.00 N ATOM 0 H HIS A 31 -0.106 -15.209 -1.016 1.00 0.00 H new ATOM 0 HA HIS A 31 2.466 -14.768 -2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.618 -16.541 -1.877 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.885 -16.370 -0.294 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.541 -18.608 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.716 -18.427 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.836 -20.943 -0.110 1.00 0.00 H new ATOM 517 N PRO A 32 1.170 -15.928 -4.290 1.00 0.00 N ATOM 518 CA PRO A 32 2.511 -15.742 -4.830 1.00 0.00 C ATOM 519 C PRO A 32 2.848 -14.253 -5.031 1.00 0.00 C ATOM 520 O PRO A 32 2.242 -13.381 -4.413 1.00 0.00 O ATOM 521 CB PRO A 32 2.481 -16.540 -6.142 1.00 0.00 C ATOM 522 CG PRO A 32 1.056 -16.315 -6.639 1.00 0.00 C ATOM 523 CD PRO A 32 0.253 -16.336 -5.342 1.00 0.00 C ATOM 0 HA PRO A 32 3.297 -16.091 -4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.221 -16.175 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.690 -17.597 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.954 -15.366 -7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.737 -17.097 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.599 -15.658 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.145 -17.332 -5.147 1.00 0.00 H new ATOM 531 N SER A 33 3.845 -13.972 -5.879 1.00 0.00 N ATOM 532 CA SER A 33 4.489 -12.675 -6.034 1.00 0.00 C ATOM 533 C SER A 33 3.666 -11.614 -6.769 1.00 0.00 C ATOM 534 O SER A 33 3.985 -10.431 -6.653 1.00 0.00 O ATOM 535 CB SER A 33 5.827 -12.888 -6.753 1.00 0.00 C ATOM 536 OG SER A 33 5.619 -13.306 -8.087 1.00 0.00 O ATOM 0 H SER A 33 4.238 -14.679 -6.501 1.00 0.00 H new ATOM 0 HA SER A 33 4.617 -12.274 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.402 -11.962 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.416 -13.635 -6.221 1.00 0.00 H new ATOM 0 HG SER A 33 6.485 -13.435 -8.528 1.00 0.00 H new ATOM 542 N ASP A 34 2.656 -12.011 -7.549 1.00 0.00 N ATOM 543 CA ASP A 34 1.999 -11.117 -8.493 1.00 0.00 C ATOM 544 C ASP A 34 1.025 -10.160 -7.791 1.00 0.00 C ATOM 545 O ASP A 34 -0.165 -10.455 -7.689 1.00 0.00 O ATOM 546 CB ASP A 34 1.324 -11.955 -9.586 1.00 0.00 C ATOM 547 CG ASP A 34 0.660 -11.082 -10.647 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.399 -10.291 -11.272 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.570 -11.225 -10.819 1.00 0.00 O ATOM 0 H ASP A 34 2.276 -12.958 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 34 2.744 -10.475 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.065 -12.599 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.577 -12.607 -9.134 1.00 0.00 H new ATOM 554 N ILE A 35 1.542 -9.016 -7.313 1.00 0.00 N ATOM 555 CA ILE A 35 0.755 -7.959 -6.679 1.00 0.00 C ATOM 556 C ILE A 35 1.142 -6.570 -7.179 1.00 0.00 C ATOM 557 O ILE A 35 2.297 -6.313 -7.515 1.00 0.00 O ATOM 558 CB ILE A 35 0.839 -8.067 -5.148 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.126 -7.131 -4.408 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.244 -7.825 -4.624 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.202 -7.459 -2.915 1.00 0.00 C ATOM 0 H ILE A 35 2.538 -8.801 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.286 -8.103 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 35 0.543 -9.095 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.198 -6.098 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.120 -7.211 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.247 -7.913 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.923 -8.563 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.571 -6.825 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.895 -6.774 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.551 -8.483 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.787 -7.354 -2.469 1.00 0.00 H new ATOM 573 N GLU A 36 0.140 -5.687 -7.208 1.00 0.00 N ATOM 574 CA GLU A 36 0.197 -4.331 -7.726 1.00 0.00 C ATOM 575 C GLU A 36 -0.379 -3.355 -6.699 1.00 0.00 C ATOM 576 O GLU A 36 -1.495 -3.570 -6.224 1.00 0.00 O ATOM 577 CB GLU A 36 -0.629 -4.240 -9.006 1.00 0.00 C ATOM 578 CG GLU A 36 -0.482 -5.466 -9.905 1.00 0.00 C ATOM 579 CD GLU A 36 -1.190 -5.228 -11.235 1.00 0.00 C ATOM 580 OE1 GLU A 36 -0.857 -4.216 -11.892 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.120 -6.006 -11.537 1.00 0.00 O ATOM 0 H GLU A 36 -0.785 -5.921 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 36 1.236 -4.075 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.680 -4.113 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.329 -3.352 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.574 -5.675 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.904 -6.342 -9.411 1.00 0.00 H new ATOM 588 N VAL A 37 0.375 -2.299 -6.359 1.00 0.00 N ATOM 589 CA VAL A 37 0.025 -1.347 -5.309 1.00 0.00 C ATOM 590 C VAL A 37 0.472 0.057 -5.720 1.00 0.00 C ATOM 591 O VAL A 37 1.506 0.556 -5.278 1.00 0.00 O ATOM 592 CB VAL A 37 0.626 -1.817 -3.968 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.357 -0.908 -2.762 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.063 -3.197 -3.616 1.00 0.00 C ATOM 0 H VAL A 37 1.260 -2.084 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.055 -1.301 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 37 1.703 -1.812 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.824 -1.334 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.773 0.081 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.718 -0.825 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.486 -3.532 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.022 -3.136 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.323 -3.907 -4.401 1.00 0.00 H new ATOM 604 N ASP A 38 -0.342 0.692 -6.569 1.00 0.00 N ATOM 605 CA ASP A 38 -0.203 2.085 -6.962 1.00 0.00 C ATOM 606 C ASP A 38 -0.835 2.955 -5.875 1.00 0.00 C ATOM 607 O ASP A 38 -1.986 2.726 -5.506 1.00 0.00 O ATOM 608 CB ASP A 38 -0.905 2.322 -8.308 1.00 0.00 C ATOM 609 CG ASP A 38 -0.512 1.294 -9.367 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.676 1.292 -9.750 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.413 0.542 -9.797 1.00 0.00 O ATOM 0 H ASP A 38 -1.137 0.231 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 38 0.850 2.341 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.985 2.291 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.661 3.321 -8.669 1.00 0.00 H new ATOM 616 N LEU A 39 -0.108 3.956 -5.367 1.00 0.00 N ATOM 617 CA LEU A 39 -0.670 4.906 -4.418 1.00 0.00 C ATOM 618 C LEU A 39 -1.398 5.979 -5.226 1.00 0.00 C ATOM 619 O LEU A 39 -0.904 6.402 -6.269 1.00 0.00 O ATOM 620 CB LEU A 39 0.416 5.463 -3.492 1.00 0.00 C ATOM 621 CG LEU A 39 1.025 4.352 -2.616 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.358 3.841 -3.172 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.240 4.883 -1.199 1.00 0.00 C ATOM 0 H LEU A 39 0.870 4.124 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.386 4.427 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.200 5.931 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.008 6.240 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 39 0.325 3.516 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.748 3.059 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.204 3.436 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.072 4.663 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.671 4.098 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.919 5.736 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.284 5.195 -0.778 1.00 0.00 H new ATOM 635 N LEU A 40 -2.615 6.335 -4.799 1.00 0.00 N ATOM 636 CA LEU A 40 -3.631 6.887 -5.679 1.00 0.00 C ATOM 637 C LEU A 40 -4.528 7.799 -4.849 1.00 0.00 C ATOM 638 O LEU A 40 -5.200 7.324 -3.937 1.00 0.00 O ATOM 639 CB LEU A 40 -4.409 5.710 -6.292 1.00 0.00 C ATOM 640 CG LEU A 40 -5.193 6.001 -7.581 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.190 7.155 -7.441 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.241 6.267 -8.749 1.00 0.00 C ATOM 0 H LEU A 40 -2.916 6.245 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.205 7.477 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.703 4.905 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.109 5.338 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.778 5.104 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.708 7.305 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.916 6.916 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.656 8.066 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.819 6.470 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.614 7.128 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.611 5.392 -8.912 1.00 0.00 H new ATOM 654 N LYS A 41 -4.518 9.108 -5.128 1.00 0.00 N ATOM 655 CA LYS A 41 -5.219 10.085 -4.316 1.00 0.00 C ATOM 656 C LYS A 41 -6.704 10.144 -4.691 1.00 0.00 C ATOM 657 O LYS A 41 -7.353 9.111 -4.838 1.00 0.00 O ATOM 658 CB LYS A 41 -4.491 11.422 -4.477 1.00 0.00 C ATOM 659 CG LYS A 41 -3.006 11.262 -4.159 1.00 0.00 C ATOM 660 CD LYS A 41 -2.188 12.345 -4.843 1.00 0.00 C ATOM 661 CE LYS A 41 -2.729 13.724 -4.475 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.724 14.782 -4.670 1.00 0.00 N ATOM 0 H LYS A 41 -4.022 9.510 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.207 9.808 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.614 11.790 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.933 12.166 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.853 11.311 -3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.663 10.280 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.143 12.265 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.222 12.209 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.607 13.942 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.054 13.720 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.180 15.713 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.984 14.696 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.297 14.686 -5.613 1.00 0.00 H new ATOM 676 N ASN A 42 -7.237 11.357 -4.866 1.00 0.00 N ATOM 677 CA ASN A 42 -8.594 11.588 -5.339 1.00 0.00 C ATOM 678 C ASN A 42 -8.754 11.088 -6.781 1.00 0.00 C ATOM 679 O ASN A 42 -9.765 10.474 -7.115 1.00 0.00 O ATOM 680 CB ASN A 42 -8.961 13.073 -5.180 1.00 0.00 C ATOM 681 CG ASN A 42 -8.342 13.977 -6.250 1.00 0.00 C ATOM 682 OD1 ASN A 42 -9.056 14.499 -7.102 1.00 0.00 O ATOM 683 ND2 ASN A 42 -7.018 14.161 -6.228 1.00 0.00 N ATOM 0 H ASN A 42 -6.723 12.218 -4.678 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.295 11.016 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.046 13.176 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.638 13.415 -4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.573 14.749 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.453 13.713 -5.507 1.00 0.00 H new ATOM 690 N GLY A 43 -7.737 11.322 -7.619 1.00 0.00 N ATOM 691 CA GLY A 43 -7.664 10.806 -8.976 1.00 0.00 C ATOM 692 C GLY A 43 -6.302 11.116 -9.595 1.00 0.00 C ATOM 693 O GLY A 43 -6.226 11.473 -10.769 1.00 0.00 O ATOM 0 H GLY A 43 -6.929 11.888 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.831 9.729 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.455 11.248 -9.582 1.00 0.00 H new ATOM 697 N GLU A 44 -5.234 10.985 -8.796 1.00 0.00 N ATOM 698 CA GLU A 44 -3.861 11.264 -9.190 1.00 0.00 C ATOM 699 C GLU A 44 -2.962 10.158 -8.639 1.00 0.00 C ATOM 700 O GLU A 44 -2.874 9.981 -7.424 1.00 0.00 O ATOM 701 CB GLU A 44 -3.469 12.650 -8.660 1.00 0.00 C ATOM 702 CG GLU A 44 -1.987 12.970 -8.889 1.00 0.00 C ATOM 703 CD GLU A 44 -1.624 14.340 -8.326 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.090 15.340 -8.913 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.900 14.365 -7.307 1.00 0.00 O ATOM 0 H GLU A 44 -5.313 10.672 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.750 11.278 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.081 13.408 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.688 12.703 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.370 12.205 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.767 12.943 -9.956 1.00 0.00 H new ATOM 712 N ARG A 45 -2.296 9.420 -9.538 1.00 0.00 N ATOM 713 CA ARG A 45 -1.360 8.366 -9.179 1.00 0.00 C ATOM 714 C ARG A 45 -0.007 8.963 -8.812 1.00 0.00 C ATOM 715 O ARG A 45 0.536 9.790 -9.542 1.00 0.00 O ATOM 716 CB ARG A 45 -1.229 7.352 -10.321 1.00 0.00 C ATOM 717 CG ARG A 45 -0.378 6.157 -9.870 1.00 0.00 C ATOM 718 CD ARG A 45 -0.350 5.048 -10.923 1.00 0.00 C ATOM 719 NE ARG A 45 -1.642 4.355 -11.027 1.00 0.00 N ATOM 720 CZ ARG A 45 -1.827 3.179 -11.650 1.00 0.00 C ATOM 721 NH1 ARG A 45 -0.821 2.584 -12.306 1.00 0.00 N ATOM 722 NH2 ARG A 45 -3.030 2.590 -11.608 1.00 0.00 N ATOM 0 H ARG A 45 -2.399 9.546 -10.545 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.743 7.837 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.217 7.009 -10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.772 7.827 -11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.639 6.491 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.775 5.761 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.088 5.474 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.428 4.328 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.454 4.797 -10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.099 3.024 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.975 1.691 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.798 3.034 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.177 1.697 -12.079 1.00 0.00 H new ATOM 736 N ILE A 46 0.534 8.514 -7.679 1.00 0.00 N ATOM 737 CA ILE A 46 1.807 8.907 -7.149 1.00 0.00 C ATOM 738 C ILE A 46 2.826 7.943 -7.746 1.00 0.00 C ATOM 739 O ILE A 46 2.924 6.797 -7.312 1.00 0.00 O ATOM 740 CB ILE A 46 1.689 8.788 -5.629 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.649 9.781 -5.081 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.039 9.036 -4.979 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.073 9.288 -3.756 1.00 0.00 C ATOM 0 H ILE A 46 0.059 7.832 -7.088 1.00 0.00 H new ATOM 0 HA ILE A 46 2.114 9.925 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 46 1.358 7.777 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.111 10.758 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.154 9.910 -5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.943 8.949 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.757 8.300 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.387 10.037 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.660 10.006 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.409 8.322 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.876 9.183 -3.027 1.00 0.00 H new ATOM 755 N GLU A 47 3.556 8.407 -8.762 1.00 0.00 N ATOM 756 CA GLU A 47 4.586 7.625 -9.429 1.00 0.00 C ATOM 757 C GLU A 47 5.861 7.540 -8.580 1.00 0.00 C ATOM 758 O GLU A 47 6.659 6.623 -8.767 1.00 0.00 O ATOM 759 CB GLU A 47 4.869 8.229 -10.810 1.00 0.00 C ATOM 760 CG GLU A 47 3.628 8.156 -11.712 1.00 0.00 C ATOM 761 CD GLU A 47 3.962 8.538 -13.150 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.417 9.687 -13.343 1.00 0.00 O ATOM 763 OE2 GLU A 47 3.759 7.676 -14.032 1.00 0.00 O ATOM 0 H GLU A 47 3.444 9.346 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 47 4.227 6.604 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.181 9.268 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.696 7.697 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.218 7.146 -11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.857 8.823 -11.327 1.00 0.00 H new ATOM 770 N LYS A 48 6.056 8.485 -7.649 1.00 0.00 N ATOM 771 CA LYS A 48 7.226 8.556 -6.785 1.00 0.00 C ATOM 772 C LYS A 48 7.039 7.597 -5.606 1.00 0.00 C ATOM 773 O LYS A 48 6.794 8.024 -4.478 1.00 0.00 O ATOM 774 CB LYS A 48 7.441 10.009 -6.323 1.00 0.00 C ATOM 775 CG LYS A 48 8.156 10.894 -7.358 1.00 0.00 C ATOM 776 CD LYS A 48 7.451 10.944 -8.721 1.00 0.00 C ATOM 777 CE LYS A 48 8.100 11.944 -9.684 1.00 0.00 C ATOM 778 NZ LYS A 48 7.927 13.340 -9.244 1.00 0.00 N ATOM 0 H LYS A 48 5.385 9.234 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 48 8.121 8.250 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.473 10.452 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.022 10.004 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.236 11.907 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.172 10.525 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.466 9.951 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.405 11.212 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.164 11.722 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.667 11.822 -10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.230 13.983 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.926 13.513 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.504 13.511 -8.395 1.00 0.00 H new ATOM 792 N VAL A 49 7.160 6.293 -5.882 1.00 0.00 N ATOM 793 CA VAL A 49 7.076 5.226 -4.894 1.00 0.00 C ATOM 794 C VAL A 49 8.477 4.648 -4.701 1.00 0.00 C ATOM 795 O VAL A 49 9.133 4.300 -5.683 1.00 0.00 O ATOM 796 CB VAL A 49 6.103 4.132 -5.371 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.897 3.075 -4.275 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.748 4.728 -5.768 1.00 0.00 C ATOM 0 H VAL A 49 7.324 5.948 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 49 6.700 5.617 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 49 6.546 3.660 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.206 2.311 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.854 2.614 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.485 3.550 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.083 3.931 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.307 5.234 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.889 5.444 -6.578 1.00 0.00 H new ATOM 808 N GLU A 50 8.915 4.516 -3.445 1.00 0.00 N ATOM 809 CA GLU A 50 10.077 3.726 -3.072 1.00 0.00 C ATOM 810 C GLU A 50 9.553 2.463 -2.385 1.00 0.00 C ATOM 811 O GLU A 50 8.400 2.429 -1.954 1.00 0.00 O ATOM 812 CB GLU A 50 10.991 4.570 -2.173 1.00 0.00 C ATOM 813 CG GLU A 50 12.425 4.045 -2.136 1.00 0.00 C ATOM 814 CD GLU A 50 13.293 4.905 -1.221 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.182 4.711 0.010 1.00 0.00 O ATOM 816 OE2 GLU A 50 14.042 5.744 -1.766 1.00 0.00 O ATOM 0 H GLU A 50 8.460 4.965 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 50 10.680 3.430 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.994 5.600 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.587 4.584 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.430 3.013 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.842 4.042 -3.143 1.00 0.00 H new ATOM 823 N HIS A 51 10.376 1.416 -2.292 1.00 0.00 N ATOM 824 CA HIS A 51 9.997 0.186 -1.617 1.00 0.00 C ATOM 825 C HIS A 51 11.099 -0.281 -0.676 1.00 0.00 C ATOM 826 O HIS A 51 12.210 0.248 -0.691 1.00 0.00 O ATOM 827 CB HIS A 51 9.597 -0.890 -2.640 1.00 0.00 C ATOM 828 CG HIS A 51 10.637 -1.243 -3.678 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.265 -1.509 -4.996 1.00 0.00 N ATOM 830 CD2 HIS A 51 11.987 -1.448 -3.555 1.00 0.00 C ATOM 831 CE1 HIS A 51 11.397 -1.868 -5.609 1.00 0.00 C ATOM 832 NE2 HIS A 51 12.454 -1.863 -4.783 1.00 0.00 N ATOM 0 H HIS A 51 11.318 1.403 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 51 9.121 0.380 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.333 -1.798 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.698 -0.554 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.576 -1.310 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.454 -2.133 -6.654 1.00 0.00 H new ATOM 0 HE2 HIS A 51 13.414 -2.116 -5.018 1.00 0.00 H new ATOM 840 N SER A 52 10.767 -1.289 0.136 1.00 0.00 N ATOM 841 CA SER A 52 11.729 -2.063 0.912 1.00 0.00 C ATOM 842 C SER A 52 11.994 -3.429 0.256 1.00 0.00 C ATOM 843 O SER A 52 12.485 -4.341 0.918 1.00 0.00 O ATOM 844 CB SER A 52 11.223 -2.191 2.355 1.00 0.00 C ATOM 845 OG SER A 52 12.226 -2.688 3.216 1.00 0.00 O ATOM 0 H SER A 52 9.803 -1.592 0.272 1.00 0.00 H new ATOM 0 HA SER A 52 12.688 -1.546 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.887 -1.217 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.359 -2.855 2.381 1.00 0.00 H new ATOM 0 HG SER A 52 12.694 -3.430 2.779 1.00 0.00 H new ATOM 851 N ASP A 53 11.675 -3.565 -1.043 1.00 0.00 N ATOM 852 CA ASP A 53 11.920 -4.740 -1.875 1.00 0.00 C ATOM 853 C ASP A 53 11.096 -5.950 -1.425 1.00 0.00 C ATOM 854 O ASP A 53 10.459 -5.932 -0.371 1.00 0.00 O ATOM 855 CB ASP A 53 13.422 -5.065 -1.958 1.00 0.00 C ATOM 856 CG ASP A 53 14.241 -3.878 -2.458 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.675 -3.079 -1.599 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.414 -3.787 -3.693 1.00 0.00 O ATOM 0 H ASP A 53 11.216 -2.816 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 53 11.584 -4.495 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.782 -5.364 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.572 -5.914 -2.624 1.00 0.00 H new ATOM 863 N LEU A 54 11.106 -7.014 -2.239 1.00 0.00 N ATOM 864 CA LEU A 54 10.438 -8.256 -1.892 1.00 0.00 C ATOM 865 C LEU A 54 11.237 -8.952 -0.791 1.00 0.00 C ATOM 866 O LEU A 54 12.378 -9.362 -1.000 1.00 0.00 O ATOM 867 CB LEU A 54 10.233 -9.146 -3.126 1.00 0.00 C ATOM 868 CG LEU A 54 9.077 -10.159 -2.988 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.169 -11.045 -1.744 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.701 -9.482 -3.057 1.00 0.00 C ATOM 0 H LEU A 54 11.574 -7.030 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 54 9.438 -8.044 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.044 -8.511 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.156 -9.690 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 54 9.188 -10.817 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.320 -11.729 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.096 -11.618 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.156 -10.420 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.920 -10.235 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.612 -8.755 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.593 -8.974 -4.015 1.00 0.00 H new ATOM 882 N SER A 55 10.610 -9.082 0.378 1.00 0.00 N ATOM 883 CA SER A 55 11.115 -9.800 1.531 1.00 0.00 C ATOM 884 C SER A 55 10.073 -10.853 1.891 1.00 0.00 C ATOM 885 O SER A 55 9.124 -10.555 2.605 1.00 0.00 O ATOM 886 CB SER A 55 11.339 -8.811 2.682 1.00 0.00 C ATOM 887 OG SER A 55 11.806 -9.492 3.829 1.00 0.00 O ATOM 0 H SER A 55 9.694 -8.667 0.547 1.00 0.00 H new ATOM 0 HA SER A 55 12.070 -10.284 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.061 -8.051 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.408 -8.293 2.912 1.00 0.00 H new ATOM 0 HG SER A 55 11.946 -8.850 4.556 1.00 0.00 H new ATOM 893 N PHE A 56 10.235 -12.089 1.405 1.00 0.00 N ATOM 894 CA PHE A 56 9.301 -13.167 1.715 1.00 0.00 C ATOM 895 C PHE A 56 9.644 -13.876 3.036 1.00 0.00 C ATOM 896 O PHE A 56 9.171 -14.987 3.276 1.00 0.00 O ATOM 897 CB PHE A 56 9.163 -14.109 0.512 1.00 0.00 C ATOM 898 CG PHE A 56 10.347 -14.977 0.159 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.380 -14.464 -0.646 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.278 -16.361 0.407 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.368 -15.323 -1.159 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.260 -17.221 -0.113 1.00 0.00 C ATOM 903 CZ PHE A 56 12.312 -16.701 -0.886 1.00 0.00 C ATOM 0 H PHE A 56 11.006 -12.363 0.796 1.00 0.00 H new ATOM 0 HA PHE A 56 8.315 -12.738 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.311 -14.763 0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.919 -13.504 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.414 -13.408 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.468 -16.763 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.170 -14.924 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.206 -18.282 0.081 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.077 -17.359 -1.270 1.00 0.00 H new ATOM 913 N SER A 57 10.452 -13.226 3.893 1.00 0.00 N ATOM 914 CA SER A 57 10.922 -13.702 5.194 1.00 0.00 C ATOM 915 C SER A 57 11.577 -15.089 5.121 1.00 0.00 C ATOM 916 O SER A 57 11.688 -15.764 6.139 1.00 0.00 O ATOM 917 CB SER A 57 9.760 -13.674 6.197 1.00 0.00 C ATOM 918 OG SER A 57 10.195 -13.918 7.518 1.00 0.00 O ATOM 0 H SER A 57 10.813 -12.297 3.676 1.00 0.00 H new ATOM 0 HA SER A 57 11.707 -13.028 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.265 -12.704 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.020 -14.423 5.915 1.00 0.00 H new ATOM 0 HG SER A 57 10.054 -14.862 7.740 1.00 0.00 H new ATOM 924 N LYS A 58 12.000 -15.509 3.919 1.00 0.00 N ATOM 925 CA LYS A 58 12.341 -16.876 3.523 1.00 0.00 C ATOM 926 C LYS A 58 11.726 -17.993 4.390 1.00 0.00 C ATOM 927 O LYS A 58 12.383 -18.996 4.661 1.00 0.00 O ATOM 928 CB LYS A 58 13.857 -16.987 3.284 1.00 0.00 C ATOM 929 CG LYS A 58 14.225 -18.088 2.278 1.00 0.00 C ATOM 930 CD LYS A 58 15.712 -18.050 1.886 1.00 0.00 C ATOM 931 CE LYS A 58 15.996 -17.236 0.612 1.00 0.00 C ATOM 932 NZ LYS A 58 15.669 -15.807 0.755 1.00 0.00 N ATOM 0 H LYS A 58 12.120 -14.853 3.147 1.00 0.00 H new ATOM 0 HA LYS A 58 11.845 -17.069 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.233 -16.030 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.355 -17.187 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.990 -19.062 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.613 -17.978 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.285 -17.628 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.066 -19.071 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.049 -17.337 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.421 -17.653 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.020 -15.286 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.638 -15.692 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.118 -15.433 1.615 1.00 0.00 H new ATOM 946 N ASP A 59 10.442 -17.839 4.763 1.00 0.00 N ATOM 947 CA ASP A 59 9.658 -18.819 5.506 1.00 0.00 C ATOM 948 C ASP A 59 8.619 -19.435 4.560 1.00 0.00 C ATOM 949 O ASP A 59 8.985 -20.176 3.648 1.00 0.00 O ATOM 950 CB ASP A 59 9.008 -18.140 6.728 1.00 0.00 C ATOM 951 CG ASP A 59 10.014 -17.694 7.786 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.905 -18.507 8.116 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.855 -16.552 8.268 1.00 0.00 O ATOM 0 H ASP A 59 9.912 -16.996 4.543 1.00 0.00 H new ATOM 0 HA ASP A 59 10.292 -19.622 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.439 -17.273 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.298 -18.831 7.182 1.00 0.00 H new ATOM 958 N TRP A 60 7.331 -19.112 4.763 1.00 0.00 N ATOM 959 CA TRP A 60 6.214 -19.498 3.911 1.00 0.00 C ATOM 960 C TRP A 60 5.219 -18.337 3.878 1.00 0.00 C ATOM 961 O TRP A 60 4.068 -18.466 4.295 1.00 0.00 O ATOM 962 CB TRP A 60 5.576 -20.798 4.409 1.00 0.00 C ATOM 963 CG TRP A 60 6.511 -21.964 4.444 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.283 -22.311 5.495 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.854 -22.890 3.373 1.00 0.00 C ATOM 966 NE1 TRP A 60 8.061 -23.402 5.168 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.833 -23.802 3.866 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.448 -23.045 2.029 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.363 -24.831 3.075 1.00 0.00 C ATOM 970 CZ3 TRP A 60 6.972 -24.077 1.228 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.916 -24.978 1.753 1.00 0.00 C ATOM 0 H TRP A 60 7.036 -18.551 5.562 1.00 0.00 H new ATOM 0 HA TRP A 60 6.557 -19.698 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.179 -20.634 5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.730 -21.044 3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.291 -21.809 6.451 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.718 -23.854 5.804 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.725 -22.361 1.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.106 -25.503 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.647 -24.178 0.203 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.296 -25.782 1.140 1.00 0.00 H new ATOM 982 N SER A 61 5.698 -17.188 3.393 1.00 0.00 N ATOM 983 CA SER A 61 4.933 -15.964 3.226 1.00 0.00 C ATOM 984 C SER A 61 5.492 -15.242 2.002 1.00 0.00 C ATOM 985 O SER A 61 6.260 -15.834 1.248 1.00 0.00 O ATOM 986 CB SER A 61 5.034 -15.122 4.506 1.00 0.00 C ATOM 987 OG SER A 61 4.139 -14.028 4.458 1.00 0.00 O ATOM 0 H SER A 61 6.669 -17.088 3.096 1.00 0.00 H new ATOM 0 HA SER A 61 3.873 -16.162 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.811 -15.743 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.054 -14.758 4.628 1.00 0.00 H new ATOM 0 HG SER A 61 4.217 -13.505 5.283 1.00 0.00 H new ATOM 993 N PHE A 62 5.103 -13.979 1.796 1.00 0.00 N ATOM 994 CA PHE A 62 5.524 -13.160 0.670 1.00 0.00 C ATOM 995 C PHE A 62 5.071 -11.733 0.956 1.00 0.00 C ATOM 996 O PHE A 62 3.886 -11.532 1.224 1.00 0.00 O ATOM 997 CB PHE A 62 4.904 -13.685 -0.634 1.00 0.00 C ATOM 998 CG PHE A 62 5.881 -13.772 -1.776 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.747 -14.875 -1.866 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.980 -12.731 -2.709 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.719 -14.935 -2.871 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.933 -12.808 -3.734 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.808 -13.904 -3.818 1.00 0.00 C ATOM 0 H PHE A 62 4.469 -13.491 2.429 1.00 0.00 H new ATOM 0 HA PHE A 62 6.606 -13.194 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.481 -14.673 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.079 -13.033 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.662 -15.683 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.326 -11.874 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.399 -15.773 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.995 -12.017 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.544 -13.952 -4.607 1.00 0.00 H new ATOM 1013 N TYR A 63 5.982 -10.748 0.936 1.00 0.00 N ATOM 1014 CA TYR A 63 5.567 -9.384 1.230 1.00 0.00 C ATOM 1015 C TYR A 63 6.592 -8.362 0.759 1.00 0.00 C ATOM 1016 O TYR A 63 7.696 -8.708 0.347 1.00 0.00 O ATOM 1017 CB TYR A 63 5.371 -9.187 2.729 1.00 0.00 C ATOM 1018 CG TYR A 63 6.508 -9.562 3.633 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.453 -8.569 3.942 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.466 -10.755 4.370 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.370 -8.769 4.981 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.351 -10.935 5.441 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.311 -9.950 5.744 1.00 0.00 C ATOM 1024 OH TYR A 63 9.178 -10.135 6.780 1.00 0.00 O ATOM 0 H TYR A 63 6.973 -10.870 0.727 1.00 0.00 H new ATOM 0 HA TYR A 63 4.629 -9.230 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.136 -8.137 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.497 -9.763 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.472 -7.649 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.757 -11.528 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.119 -8.021 5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.297 -11.834 6.037 1.00 0.00 H new ATOM 0 HH TYR A 63 8.860 -10.869 7.346 1.00 0.00 H new ATOM 1034 N LEU A 64 6.212 -7.087 0.881 1.00 0.00 N ATOM 1035 CA LEU A 64 7.013 -5.933 0.508 1.00 0.00 C ATOM 1036 C LEU A 64 6.355 -4.691 1.103 1.00 0.00 C ATOM 1037 O LEU A 64 5.139 -4.663 1.290 1.00 0.00 O ATOM 1038 CB LEU A 64 7.216 -5.818 -1.020 1.00 0.00 C ATOM 1039 CG LEU A 64 5.963 -5.571 -1.880 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.273 -5.688 -3.380 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.860 -6.595 -1.627 1.00 0.00 C ATOM 0 H LEU A 64 5.300 -6.827 1.258 1.00 0.00 H new ATOM 0 HA LEU A 64 8.019 -6.044 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.919 -5.007 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.689 -6.736 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 64 5.639 -4.568 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.364 -5.507 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.028 -4.951 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.647 -6.689 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.002 -6.370 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.231 -7.594 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.558 -6.554 -0.580 1.00 0.00 H new ATOM 1053 N LEU A 65 7.171 -3.683 1.424 1.00 0.00 N ATOM 1054 CA LEU A 65 6.747 -2.389 1.928 1.00 0.00 C ATOM 1055 C LEU A 65 6.850 -1.405 0.765 1.00 0.00 C ATOM 1056 O LEU A 65 7.800 -1.500 -0.010 1.00 0.00 O ATOM 1057 CB LEU A 65 7.685 -2.007 3.078 1.00 0.00 C ATOM 1058 CG LEU A 65 6.989 -1.273 4.225 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.025 -1.043 5.324 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.399 0.060 3.767 1.00 0.00 C ATOM 0 H LEU A 65 8.184 -3.757 1.333 1.00 0.00 H new ATOM 0 HA LEU A 65 5.724 -2.392 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.153 -2.911 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.485 -1.377 2.688 1.00 0.00 H new ATOM 0 HG LEU A 65 6.159 -1.876 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.559 -0.520 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.411 -2.003 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.845 -0.442 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.913 0.552 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.196 0.698 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.667 -0.118 2.979 1.00 0.00 H new ATOM 1072 N TYR A 66 5.869 -0.505 0.617 1.00 0.00 N ATOM 1073 CA TYR A 66 5.729 0.350 -0.549 1.00 0.00 C ATOM 1074 C TYR A 66 5.352 1.760 -0.078 1.00 0.00 C ATOM 1075 O TYR A 66 4.176 2.050 0.151 1.00 0.00 O ATOM 1076 CB TYR A 66 4.661 -0.204 -1.530 1.00 0.00 C ATOM 1077 CG TYR A 66 4.407 -1.708 -1.647 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.864 -2.416 -0.552 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.288 -2.277 -2.934 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.165 -3.614 -0.740 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.562 -3.467 -3.124 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.944 -4.096 -2.034 1.00 0.00 C ATOM 1083 OH TYR A 66 2.141 -5.178 -2.220 1.00 0.00 O ATOM 0 H TYR A 66 5.144 -0.355 1.319 1.00 0.00 H new ATOM 0 HA TYR A 66 6.675 0.379 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.711 0.261 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.924 0.154 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.990 -2.026 0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.758 -1.795 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.797 -4.165 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.481 -3.897 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 66 2.089 -5.386 -3.176 1.00 0.00 H new ATOM 1093 N TYR A 67 6.357 2.624 0.109 1.00 0.00 N ATOM 1094 CA TYR A 67 6.183 3.922 0.750 1.00 0.00 C ATOM 1095 C TYR A 67 6.449 5.107 -0.174 1.00 0.00 C ATOM 1096 O TYR A 67 7.159 5.008 -1.172 1.00 0.00 O ATOM 1097 CB TYR A 67 7.014 4.018 2.038 1.00 0.00 C ATOM 1098 CG TYR A 67 8.364 3.327 2.066 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.234 3.395 0.968 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.744 2.594 3.203 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.450 2.693 0.982 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.967 1.904 3.226 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.813 1.934 2.106 1.00 0.00 C ATOM 1104 OH TYR A 67 11.976 1.220 2.106 1.00 0.00 O ATOM 0 H TYR A 67 7.316 2.436 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 67 5.127 3.987 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.175 5.074 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.414 3.613 2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.967 3.990 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.092 2.561 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.107 2.737 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.257 1.350 4.106 1.00 0.00 H new ATOM 0 HH TYR A 67 12.239 1.022 1.183 1.00 0.00 H new ATOM 1114 N THR A 68 5.847 6.238 0.194 1.00 0.00 N ATOM 1115 CA THR A 68 5.931 7.496 -0.538 1.00 0.00 C ATOM 1116 C THR A 68 5.973 8.661 0.453 1.00 0.00 C ATOM 1117 O THR A 68 5.466 8.536 1.567 1.00 0.00 O ATOM 1118 CB THR A 68 4.741 7.621 -1.504 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.959 8.694 -2.393 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.415 7.868 -0.786 1.00 0.00 C ATOM 0 H THR A 68 5.272 6.303 1.034 1.00 0.00 H new ATOM 0 HA THR A 68 6.845 7.519 -1.131 1.00 0.00 H new ATOM 0 HB THR A 68 4.673 6.670 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.594 8.420 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.613 7.947 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.207 7.039 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.477 8.795 -0.215 1.00 0.00 H new ATOM 1128 N GLU A 69 6.523 9.801 0.031 1.00 0.00 N ATOM 1129 CA GLU A 69 6.568 11.037 0.799 1.00 0.00 C ATOM 1130 C GLU A 69 5.340 11.895 0.467 1.00 0.00 C ATOM 1131 O GLU A 69 5.436 12.882 -0.261 1.00 0.00 O ATOM 1132 CB GLU A 69 7.910 11.768 0.576 1.00 0.00 C ATOM 1133 CG GLU A 69 8.643 11.464 -0.743 1.00 0.00 C ATOM 1134 CD GLU A 69 7.843 11.818 -1.998 1.00 0.00 C ATOM 1135 OE1 GLU A 69 7.088 10.934 -2.459 1.00 0.00 O ATOM 1136 OE2 GLU A 69 8.017 12.955 -2.487 1.00 0.00 O ATOM 0 H GLU A 69 6.963 9.887 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 69 6.523 10.817 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.727 12.841 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.576 11.520 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.584 12.013 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.893 10.403 -0.771 1.00 0.00 H new ATOM 1143 N PHE A 70 4.171 11.511 1.001 1.00 0.00 N ATOM 1144 CA PHE A 70 2.902 12.152 0.667 1.00 0.00 C ATOM 1145 C PHE A 70 2.712 13.494 1.372 1.00 0.00 C ATOM 1146 O PHE A 70 3.061 13.652 2.539 1.00 0.00 O ATOM 1147 CB PHE A 70 1.700 11.255 0.984 1.00 0.00 C ATOM 1148 CG PHE A 70 1.178 11.331 2.404 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.973 10.840 3.446 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.050 11.955 2.705 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.467 10.776 4.749 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.425 12.121 4.048 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.311 11.497 5.069 1.00 0.00 C ATOM 0 H PHE A 70 4.085 10.749 1.674 1.00 0.00 H new ATOM 0 HA PHE A 70 2.949 12.327 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.888 11.513 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.976 10.222 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.981 10.509 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.695 12.302 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.963 10.177 5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.282 12.730 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.014 11.573 6.096 1.00 0.00 H new ATOM 1163 N THR A 71 2.096 14.431 0.651 1.00 0.00 N ATOM 1164 CA THR A 71 1.762 15.764 1.129 1.00 0.00 C ATOM 1165 C THR A 71 0.251 15.962 0.957 1.00 0.00 C ATOM 1166 O THR A 71 -0.206 16.133 -0.173 1.00 0.00 O ATOM 1167 CB THR A 71 2.556 16.813 0.336 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.923 16.455 0.299 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.417 18.189 1.000 1.00 0.00 C ATOM 0 H THR A 71 1.808 14.273 -0.315 1.00 0.00 H new ATOM 0 HA THR A 71 2.024 15.878 2.181 1.00 0.00 H new ATOM 0 HB THR A 71 2.161 16.856 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.423 17.127 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.983 18.926 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.366 18.477 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.803 18.142 2.018 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.541 15.913 2.038 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.991 15.974 1.965 1.00 0.00 C ATOM 1179 C PRO A 72 -2.451 17.428 1.844 1.00 0.00 C ATOM 1180 O PRO A 72 -2.805 18.053 2.841 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.472 15.304 3.251 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.368 15.644 4.257 1.00 0.00 C ATOM 1183 CD PRO A 72 -0.098 15.688 3.403 1.00 0.00 C ATOM 0 HA PRO A 72 -2.402 15.469 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.440 15.691 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.585 14.227 3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.554 16.600 4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.296 14.891 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.567 16.486 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.459 14.755 3.484 1.00 0.00 H new ATOM 1191 N THR A 73 -2.439 17.975 0.622 1.00 0.00 N ATOM 1192 CA THR A 73 -2.771 19.376 0.402 1.00 0.00 C ATOM 1193 C THR A 73 -4.272 19.596 0.602 1.00 0.00 C ATOM 1194 O THR A 73 -5.089 18.966 -0.067 1.00 0.00 O ATOM 1195 CB THR A 73 -2.281 19.874 -0.969 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.940 19.236 -2.042 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.767 19.695 -1.123 1.00 0.00 C ATOM 0 H THR A 73 -2.202 17.462 -0.227 1.00 0.00 H new ATOM 0 HA THR A 73 -2.243 19.977 1.142 1.00 0.00 H new ATOM 0 HB THR A 73 -2.522 20.936 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.907 18.265 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.456 20.057 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.253 20.261 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.514 18.639 -1.029 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.619 20.484 1.542 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.978 20.891 1.866 1.00 0.00 C ATOM 1207 C GLU A 74 -6.882 19.707 2.221 1.00 0.00 C ATOM 1208 O GLU A 74 -6.939 19.314 3.385 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.557 21.788 0.760 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.791 23.111 0.654 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.410 24.009 -0.412 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.353 24.748 -0.055 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.940 23.929 -1.567 1.00 0.00 O ATOM 0 H GLU A 74 -3.923 20.956 2.120 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.936 21.491 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.515 21.264 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.608 21.990 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.802 23.621 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.747 22.914 0.409 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.608 19.172 1.232 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.607 18.127 1.407 1.00 0.00 C ATOM 1222 C LYS A 75 -8.267 16.886 0.575 1.00 0.00 C ATOM 1223 O LYS A 75 -9.170 16.144 0.187 1.00 0.00 O ATOM 1224 CB LYS A 75 -10.000 18.696 1.089 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.129 19.204 -0.354 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.553 19.709 -0.610 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.694 20.196 -2.055 1.00 0.00 C ATOM 1228 NZ LYS A 75 -13.055 20.690 -2.328 1.00 0.00 N ATOM 0 H LYS A 75 -7.509 19.468 0.261 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.610 17.796 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.750 17.924 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.217 19.514 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.413 20.007 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.888 18.403 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.269 18.910 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.787 20.521 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.973 20.991 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.457 19.381 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.116 21.012 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.740 19.924 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.271 21.483 -1.691 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.975 16.636 0.320 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.547 15.409 -0.343 1.00 0.00 C ATOM 1244 C ASP A 76 -6.870 14.197 0.533 1.00 0.00 C ATOM 1245 O ASP A 76 -6.621 14.220 1.738 1.00 0.00 O ATOM 1246 CB ASP A 76 -5.038 15.416 -0.614 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.568 16.358 -1.719 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.430 16.876 -2.460 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.330 16.516 -1.821 1.00 0.00 O ATOM 0 H ASP A 76 -6.214 17.270 0.565 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.082 15.349 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.523 15.683 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.729 14.403 -0.870 1.00 0.00 H new ATOM 1254 N GLU A 77 -7.384 13.132 -0.094 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.583 11.826 0.517 1.00 0.00 C ATOM 1256 C GLU A 77 -6.700 10.831 -0.232 1.00 0.00 C ATOM 1257 O GLU A 77 -7.063 10.350 -1.305 1.00 0.00 O ATOM 1258 CB GLU A 77 -9.069 11.445 0.469 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.329 10.104 1.176 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.809 9.720 1.206 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.602 10.394 0.514 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.126 8.749 1.928 1.00 0.00 O ATOM 0 H GLU A 77 -7.680 13.163 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.300 11.829 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.662 12.228 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.396 11.380 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.766 9.319 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.953 10.160 2.198 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.526 10.539 0.335 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.594 9.568 -0.209 1.00 0.00 C ATOM 1271 C TYR A 78 -5.124 8.163 0.065 1.00 0.00 C ATOM 1272 O TYR A 78 -5.555 7.865 1.178 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.200 9.778 0.386 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.404 10.892 -0.257 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.841 12.223 -0.147 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.250 10.598 -1.002 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.125 13.249 -0.783 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.528 11.634 -1.624 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.943 12.966 -1.482 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.208 13.980 -2.026 1.00 0.00 O ATOM 0 H TYR A 78 -5.199 10.980 1.195 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.505 9.699 -1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.301 9.989 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.637 8.849 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.726 12.456 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.916 9.575 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.488 14.265 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.348 11.402 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.190 14.740 -1.407 1.00 0.00 H new ATOM 1290 N ALA A 79 -5.096 7.311 -0.965 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.548 5.932 -0.899 1.00 0.00 C ATOM 1292 C ALA A 79 -4.540 5.039 -1.614 1.00 0.00 C ATOM 1293 O ALA A 79 -3.567 5.535 -2.182 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.960 5.816 -1.486 1.00 0.00 C ATOM 0 H ALA A 79 -4.748 7.575 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.608 5.599 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.292 4.779 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.644 6.446 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.949 6.141 -2.526 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.742 3.719 -1.533 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.755 2.746 -1.966 1.00 0.00 C ATOM 1302 C CYS A 80 -4.444 1.608 -2.709 1.00 0.00 C ATOM 1303 O CYS A 80 -5.304 0.933 -2.145 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.963 2.258 -0.746 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.308 1.659 -1.158 1.00 0.00 S ATOM 0 H CYS A 80 -5.597 3.304 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.048 3.199 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.878 3.073 -0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.519 1.459 -0.257 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.069 1.396 -3.976 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.542 0.260 -4.751 1.00 0.00 C ATOM 1312 C ARG A 81 -4.040 -1.014 -4.075 1.00 0.00 C ATOM 1313 O ARG A 81 -2.896 -1.051 -3.632 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.018 0.357 -6.188 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.454 -0.841 -7.042 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.782 -0.831 -8.414 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.146 -2.031 -9.177 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.448 -2.561 -10.196 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.359 -1.957 -10.692 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.841 -3.731 -10.714 1.00 0.00 N ATOM 0 H ARG A 81 -3.431 2.009 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.631 0.249 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.380 1.278 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.930 0.415 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.207 -1.767 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.537 -0.824 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.081 0.061 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.700 -0.784 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.008 -2.506 -8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.041 -1.073 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.848 -2.382 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.660 -4.207 -10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.322 -4.146 -11.488 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.870 -2.059 -4.002 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.447 -3.377 -3.576 1.00 0.00 C ATOM 1336 C VAL A 82 -4.996 -4.362 -4.599 1.00 0.00 C ATOM 1337 O VAL A 82 -6.207 -4.423 -4.800 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.949 -3.669 -2.156 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.375 -5.009 -1.694 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.508 -2.571 -1.179 1.00 0.00 C ATOM 0 H VAL A 82 -5.860 -2.003 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.361 -3.458 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.038 -3.702 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.726 -5.227 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.703 -5.798 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.286 -4.959 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.877 -2.803 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.420 -2.517 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.914 -1.612 -1.502 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.106 -5.106 -5.265 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.488 -6.057 -6.295 1.00 0.00 C ATOM 1352 C ASN A 83 -3.449 -7.181 -6.353 1.00 0.00 C ATOM 1353 O ASN A 83 -2.622 -7.215 -7.263 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.644 -5.323 -7.632 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.352 -6.192 -8.671 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.578 -6.258 -8.695 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.592 -6.843 -9.550 1.00 0.00 N ATOM 0 H ASN A 83 -3.101 -5.060 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.450 -6.515 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.209 -4.404 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.662 -5.035 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.026 -7.418 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.576 -6.766 -9.501 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.497 -8.104 -5.382 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.768 -9.371 -5.440 1.00 0.00 C ATOM 1366 C HIS A 84 -3.527 -10.259 -6.436 1.00 0.00 C ATOM 1367 O HIS A 84 -4.695 -9.993 -6.718 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.777 -10.014 -4.050 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.048 -11.334 -3.961 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.745 -12.520 -3.745 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.710 -11.623 -4.042 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.809 -13.469 -3.691 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.575 -12.985 -3.889 1.00 0.00 N ATOM 0 H HIS A 84 -4.047 -7.988 -4.531 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.732 -9.234 -5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.329 -9.319 -3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.811 -10.164 -3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.090 -10.914 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.022 -14.512 -3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.293 -13.520 -3.920 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.903 -11.322 -6.955 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.547 -12.206 -7.927 1.00 0.00 C ATOM 1383 C VAL A 85 -4.904 -12.753 -7.449 1.00 0.00 C ATOM 1384 O VAL A 85 -5.806 -12.929 -8.266 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.576 -13.309 -8.382 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.251 -14.319 -7.277 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -3.112 -14.049 -9.614 1.00 0.00 C ATOM 0 H VAL A 85 -1.948 -11.590 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.791 -11.603 -8.802 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.649 -12.797 -8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.562 -15.070 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.791 -13.802 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.169 -14.805 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.403 -14.822 -9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.071 -14.509 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.243 -13.343 -10.434 1.00 0.00 H new ATOM 1397 N THR A 86 -5.071 -12.994 -6.141 1.00 0.00 N ATOM 1398 CA THR A 86 -6.337 -13.451 -5.568 1.00 0.00 C ATOM 1399 C THR A 86 -7.464 -12.440 -5.794 1.00 0.00 C ATOM 1400 O THR A 86 -8.595 -12.836 -6.072 1.00 0.00 O ATOM 1401 CB THR A 86 -6.174 -13.751 -4.072 1.00 0.00 C ATOM 1402 OG1 THR A 86 -5.629 -12.645 -3.386 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.266 -14.963 -3.869 1.00 0.00 C ATOM 0 H THR A 86 -4.328 -12.876 -5.452 1.00 0.00 H new ATOM 0 HA THR A 86 -6.615 -14.370 -6.083 1.00 0.00 H new ATOM 0 HB THR A 86 -7.164 -13.962 -3.669 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.652 -12.659 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.160 -15.164 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.704 -15.832 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.285 -14.759 -4.299 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.161 -11.143 -5.667 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.133 -10.084 -5.897 1.00 0.00 C ATOM 1413 C LEU A 87 -8.446 -10.002 -7.391 1.00 0.00 C ATOM 1414 O LEU A 87 -7.650 -9.485 -8.173 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.609 -8.734 -5.393 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.773 -8.518 -3.881 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.087 -9.590 -3.032 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.195 -7.147 -3.526 1.00 0.00 C ATOM 0 H LEU A 87 -6.236 -10.805 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.042 -10.317 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.553 -8.649 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.130 -7.935 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.838 -8.581 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.244 -9.373 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.509 -10.567 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.018 -9.595 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.302 -6.973 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.139 -7.116 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.732 -6.373 -4.074 1.00 0.00 H new ATOM 1430 N SER A 88 -9.637 -10.480 -7.767 1.00 0.00 N ATOM 1431 CA SER A 88 -10.161 -10.386 -9.122 1.00 0.00 C ATOM 1432 C SER A 88 -10.514 -8.942 -9.507 1.00 0.00 C ATOM 1433 O SER A 88 -10.756 -8.676 -10.683 1.00 0.00 O ATOM 1434 CB SER A 88 -11.391 -11.293 -9.245 1.00 0.00 C ATOM 1435 OG SER A 88 -11.061 -12.625 -8.905 1.00 0.00 O ATOM 0 H SER A 88 -10.271 -10.951 -7.121 1.00 0.00 H new ATOM 0 HA SER A 88 -9.385 -10.714 -9.814 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.184 -10.931 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.776 -11.257 -10.264 1.00 0.00 H new ATOM 0 HG SER A 88 -11.857 -13.190 -8.987 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.559 -8.018 -8.534 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.839 -6.603 -8.744 1.00 0.00 C ATOM 1443 C GLN A 89 -9.934 -5.800 -7.804 1.00 0.00 C ATOM 1444 O GLN A 89 -9.806 -6.175 -6.639 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.315 -6.288 -8.463 1.00 0.00 C ATOM 1446 CG GLN A 89 -13.246 -6.953 -9.486 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.705 -6.522 -9.340 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -15.072 -5.822 -8.399 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -15.547 -6.944 -10.286 1.00 0.00 N ATOM 0 H GLN A 89 -10.396 -8.249 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.642 -6.336 -9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.575 -6.628 -7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.466 -5.209 -8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.901 -6.712 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.181 -8.036 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.204 -7.524 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.533 -6.686 -10.243 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.302 -4.712 -8.276 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.354 -3.944 -7.489 1.00 0.00 C ATOM 1460 C PRO A 90 -9.103 -3.161 -6.410 1.00 0.00 C ATOM 1461 O PRO A 90 -9.858 -2.238 -6.712 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.650 -3.029 -8.496 1.00 0.00 C ATOM 1463 CG PRO A 90 -8.706 -2.807 -9.576 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.429 -4.153 -9.614 1.00 0.00 C ATOM 0 HA PRO A 90 -7.626 -4.562 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.342 -2.090 -8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.752 -3.495 -8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.382 -1.991 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.257 -2.560 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.477 -4.026 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.984 -4.814 -10.357 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.895 -3.545 -5.147 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.513 -2.907 -4.001 1.00 0.00 C ATOM 1474 C LYS A 91 -8.688 -1.679 -3.641 1.00 0.00 C ATOM 1475 O LYS A 91 -7.573 -1.808 -3.140 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.585 -3.891 -2.825 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.489 -5.104 -3.098 1.00 0.00 C ATOM 1478 CD LYS A 91 -11.937 -4.758 -3.483 1.00 0.00 C ATOM 1479 CE LYS A 91 -12.643 -3.814 -2.498 1.00 0.00 C ATOM 1480 NZ LYS A 91 -12.717 -4.376 -1.138 1.00 0.00 N ATOM 0 H LYS A 91 -8.281 -4.321 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.533 -2.603 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.580 -4.242 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.951 -3.365 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.047 -5.695 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.505 -5.734 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.938 -4.300 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.511 -5.681 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.112 -2.862 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.651 -3.605 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.201 -3.703 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.246 -5.271 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.756 -4.551 -0.782 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.232 -0.487 -3.907 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.555 0.764 -3.628 1.00 0.00 C ATOM 1496 C ILE A 92 -8.772 1.110 -2.154 1.00 0.00 C ATOM 1497 O ILE A 92 -9.571 1.981 -1.813 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.008 1.860 -4.610 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.125 1.374 -6.070 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.024 3.033 -4.518 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.858 0.715 -6.626 1.00 0.00 C ATOM 0 H ILE A 92 -10.156 -0.372 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.480 0.675 -3.787 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.013 2.166 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.948 0.663 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.385 2.223 -6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.330 3.820 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.019 3.424 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.023 2.690 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.031 0.405 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.034 1.428 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.606 -0.157 -6.022 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.064 0.386 -1.280 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.140 0.538 0.162 1.00 0.00 C ATOM 1515 C VAL A 93 -7.592 1.914 0.537 1.00 0.00 C ATOM 1516 O VAL A 93 -6.396 2.165 0.392 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.358 -0.599 0.850 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.338 -0.419 2.374 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.972 -1.969 0.531 1.00 0.00 C ATOM 0 H VAL A 93 -7.408 -0.338 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.174 0.472 0.501 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.340 -0.556 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.779 -1.236 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.861 0.529 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.360 -0.422 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.398 -2.750 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.004 -1.996 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.950 -2.135 -0.546 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.465 2.802 1.026 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.032 4.083 1.558 1.00 0.00 C ATOM 1531 C LYS A 94 -7.208 3.867 2.827 1.00 0.00 C ATOM 1532 O LYS A 94 -7.461 2.926 3.577 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.204 5.050 1.753 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.277 4.575 2.740 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.308 5.699 2.873 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.477 5.326 3.785 1.00 0.00 C ATOM 1537 NZ LYS A 94 -13.468 6.416 3.824 1.00 0.00 N ATOM 0 H LYS A 94 -9.473 2.650 1.061 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.384 4.567 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.813 6.007 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.674 5.228 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.750 3.661 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.833 4.345 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.818 6.591 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.691 5.953 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.948 4.411 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.111 5.123 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.256 6.147 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.019 7.281 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.830 6.590 2.865 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.198 4.721 3.025 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.206 4.596 4.085 1.00 0.00 C ATOM 1553 C TRP A 95 -5.880 4.703 5.459 1.00 0.00 C ATOM 1554 O TRP A 95 -6.221 3.675 6.039 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.052 5.587 3.798 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.367 6.330 4.913 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.953 5.841 6.103 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.098 7.761 4.967 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.543 6.879 6.921 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.655 8.097 6.279 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.195 8.812 4.033 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.430 9.427 6.671 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.923 10.139 4.400 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.598 10.452 5.728 1.00 0.00 C ATOM 0 H TRP A 95 -6.049 5.538 2.433 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.742 3.610 4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.281 5.031 3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.440 6.336 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.944 4.796 6.375 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.202 6.760 7.875 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.484 8.592 3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.132 9.657 7.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.964 10.922 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.477 11.483 6.025 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.061 5.928 5.963 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.464 6.290 7.319 1.00 0.00 C ATOM 1577 C ASP A 96 -6.166 7.787 7.465 1.00 0.00 C ATOM 1578 O ASP A 96 -5.626 8.412 6.553 1.00 0.00 O ATOM 1579 CB ASP A 96 -5.678 5.464 8.365 1.00 0.00 C ATOM 1580 CG ASP A 96 -5.997 5.789 9.822 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.183 6.068 10.104 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -5.041 5.767 10.627 1.00 0.00 O ATOM 0 H ASP A 96 -5.917 6.755 5.384 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.520 6.080 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.877 4.406 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.612 5.619 8.200 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.495 8.363 8.621 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.908 9.596 9.093 1.00 0.00 C ATOM 1589 C ARG A 97 -5.833 9.524 10.619 1.00 0.00 C ATOM 1590 O ARG A 97 -6.723 10.012 11.312 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.668 10.820 8.562 1.00 0.00 C ATOM 1592 CG ARG A 97 -8.198 10.781 8.703 1.00 0.00 C ATOM 1593 CD ARG A 97 -8.892 10.192 7.466 1.00 0.00 C ATOM 1594 NE ARG A 97 -10.346 10.100 7.656 1.00 0.00 N ATOM 1595 CZ ARG A 97 -11.226 11.102 7.487 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -10.819 12.327 7.126 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -12.531 10.870 7.684 1.00 0.00 N ATOM 0 H ARG A 97 -7.189 7.972 9.259 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.896 9.719 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.298 11.705 9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.424 10.944 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.463 10.190 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.569 11.791 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.676 10.813 6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.488 9.201 7.258 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.721 9.195 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.827 12.511 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.501 13.075 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.848 9.940 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.207 11.623 7.559 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.754 8.907 11.124 1.00 0.00 N ATOM 1612 CA ASP A 98 -4.406 8.831 12.541 1.00 0.00 C ATOM 1613 C ASP A 98 -4.623 10.185 13.227 1.00 0.00 C ATOM 1614 O ASP A 98 -5.240 10.257 14.289 1.00 0.00 O ATOM 1615 CB ASP A 98 -2.949 8.362 12.663 1.00 0.00 C ATOM 1616 CG ASP A 98 -2.503 8.234 14.117 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -2.807 7.180 14.717 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -1.857 9.188 14.602 1.00 0.00 O ATOM 0 H ASP A 98 -4.077 8.430 10.529 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.054 8.114 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.836 7.399 12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.298 9.067 12.146 1.00 0.00 H new ATOM 1623 N MET A 99 -4.167 11.254 12.567 1.00 0.00 N ATOM 1624 CA MET A 99 -4.541 12.632 12.837 1.00 0.00 C ATOM 1625 C MET A 99 -4.378 13.450 11.548 1.00 0.00 C ATOM 1626 O MET A 99 -4.059 12.830 10.508 1.00 0.00 O ATOM 1627 CB MET A 99 -3.750 13.197 14.029 1.00 0.00 C ATOM 1628 CG MET A 99 -2.269 12.796 14.067 1.00 0.00 C ATOM 1629 SD MET A 99 -1.240 13.252 12.648 1.00 0.00 S ATOM 1630 CE MET A 99 -1.201 15.052 12.834 1.00 0.00 C ATOM 1631 OXT MET A 99 -4.601 14.678 11.618 1.00 0.00 O ATOM 0 H MET A 99 -3.500 11.172 11.800 1.00 0.00 H new ATOM 0 HA MET A 99 -5.588 12.689 13.136 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.817 14.285 14.009 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.225 12.866 14.952 1.00 0.00 H new ATOM 0 HG2 MET A 99 -1.825 13.236 14.960 1.00 0.00 H new ATOM 0 HG3 MET A 99 -2.217 11.714 14.186 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.546 15.482 12.076 1.00 0.00 H new ATOM 0 HE2 MET A 99 -2.208 15.452 12.713 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.825 15.307 13.825 1.00 0.00 H new TER 1641 MET A 99