USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 165:sc= 2.26 USER MOD Set 1.2: A 67 SER OG : rot 52:sc= 1.22 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0394) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.636 K(o=0.64,f=-0.26) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.64 K(o=1.6,f=-0.59) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.935 K(o=0.94,f=-1.5) USER MOD Single : A 23 MET CE :methyl 169:sc= -0.0846 (180deg=-0.107) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.638 (180deg=0.627) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.21) USER MOD Single : A 36 ASN : amide:sc= 1.13 K(o=1.1,f=-0.86) USER MOD Single : A 51 ASN : amide:sc= 0.692 K(o=0.69,f=-3.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 55 SER OG : rot 76:sc= 1.18 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.18) USER MOD Single : A 62 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00813) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 83 HIS : no HE2:sc= 0.855 K(o=0.85,f=-2.7!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.308 -13.533 -0.526 1.00 0.00 N ATOM 2 CA MET A 1 -5.319 -13.646 0.577 1.00 0.00 C ATOM 3 C MET A 1 -6.035 -13.969 1.888 1.00 0.00 C ATOM 4 O MET A 1 -7.001 -13.294 2.250 1.00 0.00 O ATOM 5 CB MET A 1 -4.485 -12.358 0.747 1.00 0.00 C ATOM 6 CG MET A 1 -3.387 -12.196 -0.313 1.00 0.00 C ATOM 7 SD MET A 1 -2.077 -13.456 -0.284 1.00 0.00 S ATOM 8 CE MET A 1 -1.206 -13.000 1.243 1.00 0.00 C ATOM 0 H1 MET A 1 -5.814 -13.313 -1.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.819 -14.433 -0.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.985 -12.773 -0.309 1.00 0.00 H new ATOM 0 HA MET A 1 -4.634 -14.453 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.150 -11.496 0.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.027 -12.359 1.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.853 -12.205 -1.298 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.927 -11.216 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.320 -13.624 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.908 -11.953 1.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.867 -13.149 2.097 1.00 0.00 H new ATOM 20 N LEU A 2 -5.559 -14.986 2.608 1.00 0.00 N ATOM 21 CA LEU A 2 -6.005 -15.371 3.944 1.00 0.00 C ATOM 22 C LEU A 2 -4.761 -15.441 4.836 1.00 0.00 C ATOM 23 O LEU A 2 -3.624 -15.462 4.342 1.00 0.00 O ATOM 24 CB LEU A 2 -6.700 -16.755 3.939 1.00 0.00 C ATOM 25 CG LEU A 2 -8.087 -16.921 3.287 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.108 -15.911 3.817 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.053 -16.875 1.755 1.00 0.00 C ATOM 0 H LEU A 2 -4.817 -15.591 2.257 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.728 -14.640 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.025 -17.455 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.790 -17.076 4.977 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.407 -17.922 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.067 -16.071 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.225 -16.042 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.759 -14.899 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.063 -16.998 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.652 -15.915 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.419 -17.679 1.381 1.00 0.00 H new ATOM 39 N GLN A 3 -4.996 -15.540 6.143 1.00 0.00 N ATOM 40 CA GLN A 3 -4.008 -15.813 7.174 1.00 0.00 C ATOM 41 C GLN A 3 -4.447 -17.105 7.865 1.00 0.00 C ATOM 42 O GLN A 3 -5.634 -17.262 8.155 1.00 0.00 O ATOM 43 CB GLN A 3 -3.982 -14.632 8.159 1.00 0.00 C ATOM 44 CG GLN A 3 -2.879 -14.729 9.221 1.00 0.00 C ATOM 45 CD GLN A 3 -2.840 -13.474 10.095 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.381 -13.459 11.199 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.204 -12.397 9.654 1.00 0.00 N ATOM 0 H GLN A 3 -5.934 -15.425 6.528 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.003 -15.930 6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.851 -13.707 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.949 -14.568 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.049 -15.606 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.913 -14.867 8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.755 -12.409 8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.164 -11.557 10.231 1.00 0.00 H new ATOM 56 N TYR A 4 -3.516 -18.013 8.145 1.00 0.00 N ATOM 57 CA TYR A 4 -3.733 -19.240 8.908 1.00 0.00 C ATOM 58 C TYR A 4 -2.825 -19.192 10.139 1.00 0.00 C ATOM 59 O TYR A 4 -1.755 -18.578 10.107 1.00 0.00 O ATOM 60 CB TYR A 4 -3.393 -20.499 8.076 1.00 0.00 C ATOM 61 CG TYR A 4 -4.443 -21.078 7.132 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.453 -20.296 6.536 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.378 -22.453 6.824 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.375 -20.869 5.642 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.296 -23.038 5.933 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.302 -22.245 5.336 1.00 0.00 C ATOM 67 OH TYR A 4 -7.199 -22.791 4.468 1.00 0.00 O ATOM 0 H TYR A 4 -2.550 -17.910 7.834 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.785 -19.303 9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.509 -20.269 7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.111 -21.287 8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.520 -19.244 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.613 -23.065 7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.140 -20.256 5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.232 -24.092 5.705 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.012 -23.747 4.363 1.00 0.00 H new ATOM 77 N ARG A 5 -3.206 -19.920 11.187 1.00 0.00 N ATOM 78 CA ARG A 5 -2.358 -20.293 12.315 1.00 0.00 C ATOM 79 C ARG A 5 -2.450 -21.810 12.390 1.00 0.00 C ATOM 80 O ARG A 5 -3.537 -22.357 12.195 1.00 0.00 O ATOM 81 CB ARG A 5 -2.865 -19.632 13.609 1.00 0.00 C ATOM 82 CG ARG A 5 -1.902 -19.799 14.802 1.00 0.00 C ATOM 83 CD ARG A 5 -2.634 -19.465 16.110 1.00 0.00 C ATOM 84 NE ARG A 5 -1.737 -19.469 17.279 1.00 0.00 N ATOM 85 CZ ARG A 5 -2.118 -19.531 18.561 1.00 0.00 C ATOM 86 NH1 ARG A 5 -3.403 -19.611 18.900 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.178 -19.511 19.496 1.00 0.00 N ATOM 0 H ARG A 5 -4.156 -20.281 11.276 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.327 -19.962 12.190 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.024 -18.569 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.833 -20.059 13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.524 -20.821 14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.039 -19.144 14.680 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.102 -18.485 16.020 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.435 -20.188 16.269 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.735 -19.420 17.095 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.121 -19.626 18.176 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.669 -19.657 19.884 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.195 -19.450 19.230 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.438 -19.557 20.481 1.00 0.00 H new ATOM 101 N ILE A 6 -1.339 -22.494 12.640 1.00 0.00 N ATOM 102 CA ILE A 6 -1.269 -23.950 12.656 1.00 0.00 C ATOM 103 C ILE A 6 -0.481 -24.315 13.913 1.00 0.00 C ATOM 104 O ILE A 6 0.489 -23.634 14.253 1.00 0.00 O ATOM 105 CB ILE A 6 -0.617 -24.494 11.356 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.247 -23.920 10.060 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.667 -26.034 11.328 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.394 -24.130 8.802 1.00 0.00 C ATOM 0 H ILE A 6 -0.446 -22.044 12.841 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.258 -24.406 12.684 1.00 0.00 H new ATOM 0 HB ILE A 6 0.419 -24.157 11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.222 -24.383 9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.419 -22.852 10.195 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.205 -26.396 10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.126 -26.431 12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.705 -26.365 11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.905 -23.700 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.572 -23.642 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.243 -25.197 8.639 1.00 0.00 H new ATOM 120 N ILE A 7 -0.882 -25.389 14.588 1.00 0.00 N ATOM 121 CA ILE A 7 -0.247 -25.915 15.790 1.00 0.00 C ATOM 122 C ILE A 7 -0.058 -27.411 15.527 1.00 0.00 C ATOM 123 O ILE A 7 -0.931 -28.033 14.915 1.00 0.00 O ATOM 124 CB ILE A 7 -1.132 -25.634 17.034 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.547 -24.149 17.214 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.452 -26.145 18.318 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.402 -23.181 17.537 1.00 0.00 C ATOM 0 H ILE A 7 -1.692 -25.938 14.299 1.00 0.00 H new ATOM 0 HA ILE A 7 0.712 -25.442 16.002 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.055 -26.184 16.850 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.037 -23.813 16.300 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.286 -24.090 18.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.091 -25.937 19.176 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.288 -27.220 18.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.506 -25.641 18.448 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.798 -22.171 17.643 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.077 -23.482 18.468 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.330 -23.201 16.730 1.00 0.00 H new ATOM 139 N VAL A 8 1.066 -27.988 15.952 1.00 0.00 N ATOM 140 CA VAL A 8 1.431 -29.371 15.641 1.00 0.00 C ATOM 141 C VAL A 8 2.034 -30.012 16.891 1.00 0.00 C ATOM 142 O VAL A 8 2.729 -29.332 17.648 1.00 0.00 O ATOM 143 CB VAL A 8 2.436 -29.432 14.462 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.268 -30.754 13.701 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.338 -28.277 13.448 1.00 0.00 C ATOM 0 H VAL A 8 1.756 -27.504 16.527 1.00 0.00 H new ATOM 0 HA VAL A 8 0.538 -29.918 15.338 1.00 0.00 H new ATOM 0 HB VAL A 8 3.416 -29.346 14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.977 -30.790 12.874 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.455 -31.589 14.376 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.252 -30.823 13.311 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.084 -28.416 12.665 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.343 -28.267 13.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.518 -27.330 13.957 1.00 0.00 H new ATOM 155 N ASP A 9 1.829 -31.316 17.082 1.00 0.00 N ATOM 156 CA ASP A 9 2.398 -32.099 18.175 1.00 0.00 C ATOM 157 C ASP A 9 2.810 -33.480 17.658 1.00 0.00 C ATOM 158 O ASP A 9 2.317 -33.927 16.617 1.00 0.00 O ATOM 159 CB ASP A 9 1.378 -32.243 19.313 1.00 0.00 C ATOM 160 CG ASP A 9 1.967 -32.936 20.554 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.171 -32.762 20.845 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.214 -33.643 21.262 1.00 0.00 O ATOM 0 H ASP A 9 1.243 -31.872 16.459 1.00 0.00 H new ATOM 0 HA ASP A 9 3.278 -31.584 18.561 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.011 -31.256 19.593 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.520 -32.813 18.956 1.00 0.00 H new ATOM 167 N GLY A 10 3.725 -34.141 18.364 1.00 0.00 N ATOM 168 CA GLY A 10 4.311 -35.424 18.005 1.00 0.00 C ATOM 169 C GLY A 10 5.817 -35.381 18.237 1.00 0.00 C ATOM 170 O GLY A 10 6.311 -34.534 18.989 1.00 0.00 O ATOM 0 H GLY A 10 4.093 -33.777 19.243 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.864 -36.219 18.601 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.100 -35.652 16.960 1.00 0.00 H new ATOM 174 N ARG A 11 6.572 -36.249 17.557 1.00 0.00 N ATOM 175 CA ARG A 11 8.004 -36.026 17.367 1.00 0.00 C ATOM 176 C ARG A 11 8.131 -34.933 16.306 1.00 0.00 C ATOM 177 O ARG A 11 8.195 -35.237 15.114 1.00 0.00 O ATOM 178 CB ARG A 11 8.733 -37.334 16.993 1.00 0.00 C ATOM 179 CG ARG A 11 10.258 -37.165 17.104 1.00 0.00 C ATOM 180 CD ARG A 11 11.032 -38.436 16.729 1.00 0.00 C ATOM 181 NE ARG A 11 10.896 -38.790 15.300 1.00 0.00 N ATOM 182 CZ ARG A 11 10.649 -40.008 14.800 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.438 -41.057 15.592 1.00 0.00 N ATOM 184 NH2 ARG A 11 10.610 -40.160 13.483 1.00 0.00 N ATOM 0 H ARG A 11 6.217 -37.106 17.133 1.00 0.00 H new ATOM 0 HA ARG A 11 8.488 -35.701 18.288 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.404 -38.139 17.650 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.469 -37.624 15.976 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.575 -36.348 16.455 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.513 -36.879 18.124 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.087 -38.296 16.965 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.676 -39.266 17.339 1.00 0.00 H new ATOM 0 HE ARG A 11 11.001 -38.031 14.627 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.462 -40.944 16.605 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.252 -41.974 15.185 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.766 -39.358 12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.424 -41.079 13.081 1.00 0.00 H new ATOM 198 N VAL A 12 8.077 -33.669 16.727 1.00 0.00 N ATOM 199 CA VAL A 12 8.001 -32.513 15.831 1.00 0.00 C ATOM 200 C VAL A 12 9.055 -31.451 16.183 1.00 0.00 C ATOM 201 O VAL A 12 8.962 -30.320 15.718 1.00 0.00 O ATOM 202 CB VAL A 12 6.556 -31.957 15.784 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.574 -32.993 15.217 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.033 -31.469 17.145 1.00 0.00 C ATOM 0 H VAL A 12 8.085 -33.415 17.715 1.00 0.00 H new ATOM 0 HA VAL A 12 8.245 -32.838 14.820 1.00 0.00 H new ATOM 0 HB VAL A 12 6.612 -31.092 15.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.570 -32.570 15.198 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.874 -33.262 14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.581 -33.883 15.846 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.016 -31.094 17.031 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.038 -32.296 17.854 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.674 -30.670 17.516 1.00 0.00 H new ATOM 214 N GLN A 13 10.062 -31.795 16.991 1.00 0.00 N ATOM 215 CA GLN A 13 11.216 -30.942 17.262 1.00 0.00 C ATOM 216 C GLN A 13 12.456 -31.831 17.255 1.00 0.00 C ATOM 217 O GLN A 13 12.374 -33.003 17.641 1.00 0.00 O ATOM 218 CB GLN A 13 11.093 -30.246 18.628 1.00 0.00 C ATOM 219 CG GLN A 13 9.878 -29.313 18.766 1.00 0.00 C ATOM 220 CD GLN A 13 9.942 -28.426 20.017 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.848 -28.513 20.843 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.987 -27.528 20.187 1.00 0.00 N ATOM 0 H GLN A 13 10.096 -32.689 17.481 1.00 0.00 H new ATOM 0 HA GLN A 13 11.279 -30.164 16.501 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.039 -31.008 19.405 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.000 -29.669 18.810 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.811 -28.680 17.881 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.968 -29.913 18.799 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.232 -27.451 19.505 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.005 -26.912 21.000 1.00 0.00 H new ATOM 231 N GLY A 14 13.600 -31.281 16.861 1.00 0.00 N ATOM 232 CA GLY A 14 14.825 -32.043 16.686 1.00 0.00 C ATOM 233 C GLY A 14 14.711 -32.999 15.496 1.00 0.00 C ATOM 234 O GLY A 14 15.264 -34.100 15.544 1.00 0.00 O ATOM 0 H GLY A 14 13.701 -30.287 16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.662 -31.362 16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.038 -32.609 17.593 1.00 0.00 H new ATOM 238 N VAL A 15 13.979 -32.607 14.452 1.00 0.00 N ATOM 239 CA VAL A 15 13.689 -33.419 13.270 1.00 0.00 C ATOM 240 C VAL A 15 13.868 -32.619 11.968 1.00 0.00 C ATOM 241 O VAL A 15 13.746 -33.196 10.885 1.00 0.00 O ATOM 242 CB VAL A 15 12.281 -34.053 13.369 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.166 -35.059 14.523 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.156 -33.019 13.518 1.00 0.00 C ATOM 0 H VAL A 15 13.556 -31.680 14.405 1.00 0.00 H new ATOM 0 HA VAL A 15 14.416 -34.231 13.239 1.00 0.00 H new ATOM 0 HB VAL A 15 12.157 -34.572 12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.158 -35.473 14.546 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.886 -35.864 14.377 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.373 -34.555 15.467 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.196 -33.532 13.582 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.316 -32.435 14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.156 -32.355 12.654 1.00 0.00 H new ATOM 254 N GLY A 16 14.172 -31.324 12.042 1.00 0.00 N ATOM 255 CA GLY A 16 14.277 -30.432 10.903 1.00 0.00 C ATOM 256 C GLY A 16 12.930 -29.776 10.615 1.00 0.00 C ATOM 257 O GLY A 16 12.689 -29.397 9.467 1.00 0.00 O ATOM 0 H GLY A 16 14.357 -30.857 12.930 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.027 -29.666 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.613 -30.988 10.027 1.00 0.00 H new ATOM 261 N PHE A 17 12.025 -29.691 11.595 1.00 0.00 N ATOM 262 CA PHE A 17 10.668 -29.222 11.366 1.00 0.00 C ATOM 263 C PHE A 17 10.678 -27.760 10.925 1.00 0.00 C ATOM 264 O PHE A 17 10.029 -27.426 9.932 1.00 0.00 O ATOM 265 CB PHE A 17 9.784 -29.424 12.607 1.00 0.00 C ATOM 266 CG PHE A 17 8.322 -29.659 12.271 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.506 -28.612 11.800 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.775 -30.949 12.405 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.165 -28.861 11.451 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.439 -31.200 12.048 1.00 0.00 C ATOM 271 CZ PHE A 17 5.635 -30.158 11.562 1.00 0.00 C ATOM 0 H PHE A 17 12.218 -29.946 12.564 1.00 0.00 H new ATOM 0 HA PHE A 17 10.235 -29.819 10.564 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.160 -30.273 13.178 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.866 -28.547 13.249 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.910 -27.615 11.706 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.387 -31.753 12.786 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.542 -28.053 11.097 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.031 -32.195 12.148 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.612 -30.352 11.274 1.00 0.00 H new ATOM 281 N ARG A 18 11.429 -26.879 11.598 1.00 0.00 N ATOM 282 CA ARG A 18 11.467 -25.466 11.210 1.00 0.00 C ATOM 283 C ARG A 18 12.021 -25.319 9.798 1.00 0.00 C ATOM 284 O ARG A 18 11.465 -24.559 9.009 1.00 0.00 O ATOM 285 CB ARG A 18 12.302 -24.659 12.213 1.00 0.00 C ATOM 286 CG ARG A 18 11.577 -24.493 13.559 1.00 0.00 C ATOM 287 CD ARG A 18 12.523 -24.025 14.669 1.00 0.00 C ATOM 288 NE ARG A 18 13.412 -25.107 15.108 1.00 0.00 N ATOM 289 CZ ARG A 18 14.386 -25.009 16.011 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.744 -23.823 16.509 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.990 -26.109 16.424 1.00 0.00 N ATOM 0 H ARG A 18 12.010 -27.116 12.402 1.00 0.00 H new ATOM 0 HA ARG A 18 10.451 -25.072 11.219 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.258 -25.158 12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.522 -23.677 11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.766 -23.773 13.447 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.124 -25.442 13.846 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.119 -23.185 14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.941 -23.664 15.517 1.00 0.00 H new ATOM 0 HE ARG A 18 13.270 -26.022 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.269 -22.975 16.198 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.492 -23.765 17.200 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.708 -27.016 16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.738 -26.051 17.115 1.00 0.00 H new ATOM 305 N TYR A 19 13.077 -26.062 9.459 1.00 0.00 N ATOM 306 CA TYR A 19 13.691 -26.011 8.138 1.00 0.00 C ATOM 307 C TYR A 19 12.715 -26.511 7.067 1.00 0.00 C ATOM 308 O TYR A 19 12.585 -25.885 6.014 1.00 0.00 O ATOM 309 CB TYR A 19 14.992 -26.826 8.160 1.00 0.00 C ATOM 310 CG TYR A 19 15.798 -26.846 6.869 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.046 -25.657 6.152 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.350 -28.060 6.412 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.826 -25.682 4.983 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.141 -28.091 5.249 1.00 0.00 C ATOM 315 CZ TYR A 19 17.380 -26.899 4.526 1.00 0.00 C ATOM 316 OH TYR A 19 18.138 -26.910 3.392 1.00 0.00 O ATOM 0 H TYR A 19 13.529 -26.717 10.098 1.00 0.00 H new ATOM 0 HA TYR A 19 13.934 -24.980 7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.628 -26.434 8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.747 -27.854 8.426 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.634 -24.722 6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.164 -28.973 6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.002 -24.769 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.565 -29.024 4.909 1.00 0.00 H new ATOM 0 HH TYR A 19 18.446 -27.823 3.213 1.00 0.00 H new ATOM 326 N PHE A 20 11.986 -27.597 7.341 1.00 0.00 N ATOM 327 CA PHE A 20 10.974 -28.129 6.440 1.00 0.00 C ATOM 328 C PHE A 20 9.877 -27.093 6.193 1.00 0.00 C ATOM 329 O PHE A 20 9.572 -26.785 5.043 1.00 0.00 O ATOM 330 CB PHE A 20 10.408 -29.433 7.019 1.00 0.00 C ATOM 331 CG PHE A 20 9.201 -29.975 6.278 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.369 -30.672 5.066 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.906 -29.775 6.797 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.249 -31.184 4.388 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.787 -30.279 6.113 1.00 0.00 C ATOM 336 CZ PHE A 20 6.959 -30.993 4.914 1.00 0.00 C ATOM 0 H PHE A 20 12.087 -28.132 8.203 1.00 0.00 H new ATOM 0 HA PHE A 20 11.427 -28.353 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.193 -30.190 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.135 -29.265 8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.359 -30.813 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.774 -29.233 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.379 -31.725 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.795 -30.118 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.100 -31.395 4.397 1.00 0.00 H new ATOM 346 N VAL A 21 9.311 -26.507 7.248 1.00 0.00 N ATOM 347 CA VAL A 21 8.256 -25.511 7.099 1.00 0.00 C ATOM 348 C VAL A 21 8.794 -24.278 6.357 1.00 0.00 C ATOM 349 O VAL A 21 8.090 -23.734 5.507 1.00 0.00 O ATOM 350 CB VAL A 21 7.656 -25.193 8.481 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.580 -24.106 8.413 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.973 -26.432 9.077 1.00 0.00 C ATOM 0 H VAL A 21 9.567 -26.707 8.215 1.00 0.00 H new ATOM 0 HA VAL A 21 7.443 -25.899 6.485 1.00 0.00 H new ATOM 0 HB VAL A 21 8.493 -24.858 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.189 -23.918 9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.014 -23.189 8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.770 -24.436 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.557 -26.184 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.173 -26.761 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.704 -27.233 9.188 1.00 0.00 H new ATOM 362 N GLN A 22 10.043 -23.868 6.611 1.00 0.00 N ATOM 363 CA GLN A 22 10.672 -22.748 5.927 1.00 0.00 C ATOM 364 C GLN A 22 10.716 -23.018 4.421 1.00 0.00 C ATOM 365 O GLN A 22 10.294 -22.161 3.646 1.00 0.00 O ATOM 366 CB GLN A 22 12.064 -22.491 6.528 1.00 0.00 C ATOM 367 CG GLN A 22 12.755 -21.248 5.949 1.00 0.00 C ATOM 368 CD GLN A 22 12.093 -19.918 6.321 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.419 -19.785 7.334 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.270 -18.897 5.503 1.00 0.00 N ATOM 0 H GLN A 22 10.645 -24.313 7.304 1.00 0.00 H new ATOM 0 HA GLN A 22 10.087 -21.840 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.970 -22.376 7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.694 -23.363 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.790 -21.232 6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.779 -21.335 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.832 -19.011 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.845 -17.994 5.714 1.00 0.00 H new ATOM 379 N MET A 23 11.190 -24.194 3.991 1.00 0.00 N ATOM 380 CA MET A 23 11.296 -24.467 2.558 1.00 0.00 C ATOM 381 C MET A 23 9.917 -24.683 1.926 1.00 0.00 C ATOM 382 O MET A 23 9.710 -24.282 0.781 1.00 0.00 O ATOM 383 CB MET A 23 12.264 -25.626 2.261 1.00 0.00 C ATOM 384 CG MET A 23 11.789 -26.996 2.760 1.00 0.00 C ATOM 385 SD MET A 23 12.884 -28.391 2.387 1.00 0.00 S ATOM 386 CE MET A 23 14.226 -28.058 3.560 1.00 0.00 C ATOM 0 H MET A 23 11.498 -24.952 4.599 1.00 0.00 H new ATOM 0 HA MET A 23 11.726 -23.582 2.090 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.425 -25.681 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.229 -25.402 2.716 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.655 -26.942 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.810 -27.201 2.327 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.892 -28.920 3.606 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.787 -27.183 3.232 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.807 -27.870 4.549 1.00 0.00 H new ATOM 396 N GLU A 24 8.955 -25.264 2.650 1.00 0.00 N ATOM 397 CA GLU A 24 7.613 -25.484 2.128 1.00 0.00 C ATOM 398 C GLU A 24 6.862 -24.162 1.957 1.00 0.00 C ATOM 399 O GLU A 24 6.098 -24.015 1.002 1.00 0.00 O ATOM 400 CB GLU A 24 6.838 -26.448 3.040 1.00 0.00 C ATOM 401 CG GLU A 24 7.286 -27.912 2.896 1.00 0.00 C ATOM 402 CD GLU A 24 7.019 -28.460 1.486 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.888 -28.916 1.205 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.910 -28.374 0.610 1.00 0.00 O ATOM 0 H GLU A 24 9.088 -25.591 3.607 1.00 0.00 H new ATOM 0 HA GLU A 24 7.700 -25.939 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.964 -26.137 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.774 -26.376 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.350 -27.989 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.761 -28.525 3.629 1.00 0.00 H new ATOM 411 N ALA A 25 7.106 -23.184 2.834 1.00 0.00 N ATOM 412 CA ALA A 25 6.613 -21.830 2.653 1.00 0.00 C ATOM 413 C ALA A 25 7.314 -21.163 1.470 1.00 0.00 C ATOM 414 O ALA A 25 6.659 -20.492 0.670 1.00 0.00 O ATOM 415 CB ALA A 25 6.858 -21.026 3.931 1.00 0.00 C ATOM 0 H ALA A 25 7.651 -23.316 3.686 1.00 0.00 H new ATOM 0 HA ALA A 25 5.543 -21.863 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.489 -20.009 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.334 -21.496 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.927 -20.999 4.145 1.00 0.00 H new ATOM 421 N ASP A 26 8.633 -21.353 1.347 1.00 0.00 N ATOM 422 CA ASP A 26 9.456 -20.701 0.334 1.00 0.00 C ATOM 423 C ASP A 26 9.014 -21.101 -1.069 1.00 0.00 C ATOM 424 O ASP A 26 8.820 -20.233 -1.920 1.00 0.00 O ATOM 425 CB ASP A 26 10.937 -21.052 0.517 1.00 0.00 C ATOM 426 CG ASP A 26 11.794 -20.311 -0.523 1.00 0.00 C ATOM 427 OD1 ASP A 26 12.018 -19.091 -0.366 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.266 -20.950 -1.488 1.00 0.00 O ATOM 0 H ASP A 26 9.162 -21.974 1.960 1.00 0.00 H new ATOM 0 HA ASP A 26 9.328 -19.626 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.260 -20.783 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.078 -22.128 0.414 1.00 0.00 H new ATOM 433 N LYS A 27 8.774 -22.399 -1.303 1.00 0.00 N ATOM 434 CA LYS A 27 8.383 -22.895 -2.626 1.00 0.00 C ATOM 435 C LYS A 27 7.004 -22.403 -3.081 1.00 0.00 C ATOM 436 O LYS A 27 6.654 -22.592 -4.247 1.00 0.00 O ATOM 437 CB LYS A 27 8.571 -24.424 -2.733 1.00 0.00 C ATOM 438 CG LYS A 27 7.736 -25.316 -1.797 1.00 0.00 C ATOM 439 CD LYS A 27 6.268 -25.494 -2.217 1.00 0.00 C ATOM 440 CE LYS A 27 5.498 -26.454 -1.297 1.00 0.00 C ATOM 441 NZ LYS A 27 6.001 -27.847 -1.354 1.00 0.00 N ATOM 0 H LYS A 27 8.845 -23.125 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 27 9.069 -22.450 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.352 -24.718 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.624 -24.645 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.205 -26.298 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.763 -24.891 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.774 -24.522 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.230 -25.869 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.562 -26.093 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.444 -26.444 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.464 -28.438 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.884 -28.219 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.008 -27.863 -1.096 1.00 0.00 H new ATOM 455 N ARG A 28 6.224 -21.764 -2.200 1.00 0.00 N ATOM 456 CA ARG A 28 4.927 -21.160 -2.509 1.00 0.00 C ATOM 457 C ARG A 28 4.911 -19.661 -2.170 1.00 0.00 C ATOM 458 O ARG A 28 3.849 -19.042 -2.228 1.00 0.00 O ATOM 459 CB ARG A 28 3.817 -21.965 -1.800 1.00 0.00 C ATOM 460 CG ARG A 28 3.176 -23.001 -2.744 1.00 0.00 C ATOM 461 CD ARG A 28 2.121 -23.824 -1.993 1.00 0.00 C ATOM 462 NE ARG A 28 1.352 -24.746 -2.855 1.00 0.00 N ATOM 463 CZ ARG A 28 0.321 -24.426 -3.655 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.119 -23.172 -4.054 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.539 -25.361 -4.031 1.00 0.00 N ATOM 0 H ARG A 28 6.489 -21.651 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 28 4.739 -21.210 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.234 -22.473 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.050 -21.283 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.716 -22.494 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.944 -23.662 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.614 -24.401 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.429 -23.143 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 28 1.633 -25.726 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.753 -22.432 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.670 -22.951 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.418 -26.323 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.322 -25.119 -4.638 1.00 0.00 H new ATOM 479 N LYS A 29 6.073 -19.065 -1.862 1.00 0.00 N ATOM 480 CA LYS A 29 6.253 -17.651 -1.514 1.00 0.00 C ATOM 481 C LYS A 29 5.196 -17.148 -0.518 1.00 0.00 C ATOM 482 O LYS A 29 4.664 -16.044 -0.670 1.00 0.00 O ATOM 483 CB LYS A 29 6.359 -16.794 -2.792 1.00 0.00 C ATOM 484 CG LYS A 29 7.525 -17.225 -3.702 1.00 0.00 C ATOM 485 CD LYS A 29 7.732 -16.284 -4.900 1.00 0.00 C ATOM 486 CE LYS A 29 6.536 -16.299 -5.864 1.00 0.00 C ATOM 487 NZ LYS A 29 6.762 -15.433 -7.049 1.00 0.00 N ATOM 0 H LYS A 29 6.952 -19.582 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 29 7.198 -17.548 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.424 -16.862 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.488 -15.748 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.442 -17.263 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.339 -18.235 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.892 -15.268 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.634 -16.577 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.349 -17.321 -6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.642 -15.965 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.930 -15.473 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.915 -14.452 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.600 -15.766 -7.568 1.00 0.00 H new ATOM 501 N LEU A 30 4.871 -17.959 0.496 1.00 0.00 N ATOM 502 CA LEU A 30 4.070 -17.515 1.632 1.00 0.00 C ATOM 503 C LEU A 30 4.832 -16.427 2.403 1.00 0.00 C ATOM 504 O LEU A 30 6.045 -16.272 2.239 1.00 0.00 O ATOM 505 CB LEU A 30 3.760 -18.701 2.564 1.00 0.00 C ATOM 506 CG LEU A 30 2.923 -19.839 1.949 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.679 -20.924 3.000 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.562 -19.362 1.428 1.00 0.00 C ATOM 0 H LEU A 30 5.157 -18.937 0.548 1.00 0.00 H new ATOM 0 HA LEU A 30 3.128 -17.106 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.704 -19.119 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.234 -18.322 3.440 1.00 0.00 H new ATOM 0 HG LEU A 30 3.493 -20.225 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.087 -21.728 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.635 -21.322 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.141 -20.496 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.017 -20.207 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.988 -18.934 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.712 -18.606 0.657 1.00 0.00 H new ATOM 520 N ALA A 31 4.136 -15.724 3.297 1.00 0.00 N ATOM 521 CA ALA A 31 4.738 -14.905 4.348 1.00 0.00 C ATOM 522 C ALA A 31 4.242 -15.429 5.694 1.00 0.00 C ATOM 523 O ALA A 31 3.225 -16.122 5.727 1.00 0.00 O ATOM 524 CB ALA A 31 4.364 -13.432 4.158 1.00 0.00 C ATOM 0 H ALA A 31 3.116 -15.708 3.310 1.00 0.00 H new ATOM 0 HA ALA A 31 5.825 -14.970 4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.820 -12.836 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.725 -13.087 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.280 -13.323 4.201 1.00 0.00 H new ATOM 530 N GLY A 32 4.948 -15.146 6.792 1.00 0.00 N ATOM 531 CA GLY A 32 4.586 -15.644 8.115 1.00 0.00 C ATOM 532 C GLY A 32 5.803 -16.041 8.946 1.00 0.00 C ATOM 533 O GLY A 32 6.913 -15.552 8.714 1.00 0.00 O ATOM 0 H GLY A 32 5.786 -14.565 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.023 -14.877 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.928 -16.506 8.007 1.00 0.00 H new ATOM 537 N TRP A 33 5.611 -16.938 9.912 1.00 0.00 N ATOM 538 CA TRP A 33 6.696 -17.519 10.678 1.00 0.00 C ATOM 539 C TRP A 33 6.416 -18.958 11.110 1.00 0.00 C ATOM 540 O TRP A 33 5.270 -19.409 11.111 1.00 0.00 O ATOM 541 CB TRP A 33 7.015 -16.637 11.895 1.00 0.00 C ATOM 542 CG TRP A 33 5.882 -16.364 12.842 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.323 -17.255 13.695 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.156 -15.114 13.051 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.313 -16.647 14.413 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.185 -15.316 14.077 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.226 -13.825 12.479 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.349 -14.285 14.531 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.382 -12.787 12.917 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.448 -13.012 13.944 1.00 0.00 C ATOM 0 H TRP A 33 4.689 -17.280 10.182 1.00 0.00 H new ATOM 0 HA TRP A 33 7.566 -17.559 10.022 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.822 -17.109 12.456 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.395 -15.681 11.533 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.623 -18.287 13.798 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.734 -17.123 15.105 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.940 -13.632 11.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.637 -14.468 15.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.452 -11.811 12.461 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.809 -12.209 14.280 1.00 0.00 H new ATOM 561 N VAL A 34 7.467 -19.639 11.574 1.00 0.00 N ATOM 562 CA VAL A 34 7.407 -20.920 12.273 1.00 0.00 C ATOM 563 C VAL A 34 8.264 -20.811 13.534 1.00 0.00 C ATOM 564 O VAL A 34 9.310 -20.157 13.507 1.00 0.00 O ATOM 565 CB VAL A 34 7.856 -22.067 11.337 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.276 -21.905 10.761 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.753 -23.436 12.029 1.00 0.00 C ATOM 0 H VAL A 34 8.422 -19.296 11.467 1.00 0.00 H new ATOM 0 HA VAL A 34 6.385 -21.157 12.569 1.00 0.00 H new ATOM 0 HB VAL A 34 7.162 -22.013 10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.506 -22.754 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.330 -20.984 10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.997 -21.863 11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.077 -24.217 11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.390 -23.445 12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.720 -23.618 12.324 1.00 0.00 H new ATOM 577 N LYS A 35 7.855 -21.457 14.629 1.00 0.00 N ATOM 578 CA LYS A 35 8.631 -21.525 15.862 1.00 0.00 C ATOM 579 C LYS A 35 8.411 -22.867 16.556 1.00 0.00 C ATOM 580 O LYS A 35 7.326 -23.450 16.478 1.00 0.00 O ATOM 581 CB LYS A 35 8.283 -20.337 16.780 1.00 0.00 C ATOM 582 CG LYS A 35 6.820 -20.310 17.266 1.00 0.00 C ATOM 583 CD LYS A 35 6.528 -19.103 18.169 1.00 0.00 C ATOM 584 CE LYS A 35 6.531 -17.776 17.392 1.00 0.00 C ATOM 585 NZ LYS A 35 6.447 -16.606 18.300 1.00 0.00 N ATOM 0 H LYS A 35 6.965 -21.952 14.681 1.00 0.00 H new ATOM 0 HA LYS A 35 9.692 -21.453 15.621 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.941 -20.361 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.493 -19.409 16.247 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.154 -20.286 16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.603 -21.229 17.810 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.559 -19.238 18.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.273 -19.058 18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.439 -17.707 16.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.690 -17.759 16.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.469 -15.730 17.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.560 -16.649 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.254 -16.617 18.956 1.00 0.00 H new ATOM 599 N ASN A 36 9.437 -23.332 17.266 1.00 0.00 N ATOM 600 CA ASN A 36 9.319 -24.433 18.214 1.00 0.00 C ATOM 601 C ASN A 36 8.805 -23.817 19.510 1.00 0.00 C ATOM 602 O ASN A 36 9.442 -22.904 20.041 1.00 0.00 O ATOM 603 CB ASN A 36 10.695 -25.094 18.445 1.00 0.00 C ATOM 604 CG ASN A 36 11.068 -26.141 17.393 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.381 -26.310 16.391 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.162 -26.852 17.612 1.00 0.00 N ATOM 0 H ASN A 36 10.381 -22.951 17.197 1.00 0.00 H new ATOM 0 HA ASN A 36 8.647 -25.207 17.844 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.461 -24.319 18.459 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.700 -25.564 19.428 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.452 -27.561 16.939 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.715 -26.691 18.454 1.00 0.00 H new ATOM 613 N ARG A 37 7.662 -24.282 20.019 1.00 0.00 N ATOM 614 CA ARG A 37 7.160 -23.842 21.320 1.00 0.00 C ATOM 615 C ARG A 37 7.962 -24.539 22.413 1.00 0.00 C ATOM 616 O ARG A 37 8.359 -25.695 22.248 1.00 0.00 O ATOM 617 CB ARG A 37 5.664 -24.165 21.460 1.00 0.00 C ATOM 618 CG ARG A 37 4.793 -23.319 20.510 1.00 0.00 C ATOM 619 CD ARG A 37 3.290 -23.570 20.706 1.00 0.00 C ATOM 620 NE ARG A 37 2.886 -23.377 22.103 1.00 0.00 N ATOM 621 CZ ARG A 37 2.479 -22.244 22.681 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.229 -21.139 21.982 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.342 -22.254 24.001 1.00 0.00 N ATOM 0 H ARG A 37 7.067 -24.964 19.548 1.00 0.00 H new ATOM 0 HA ARG A 37 7.276 -22.762 21.411 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.502 -25.223 21.253 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.351 -23.990 22.489 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.005 -22.262 20.673 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.064 -23.543 19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.722 -22.895 20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.047 -24.586 20.394 1.00 0.00 H new ATOM 0 HE ARG A 37 2.920 -24.202 22.701 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.347 -21.139 20.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.920 -20.292 22.460 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.545 -23.103 24.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.034 -21.413 24.488 1.00 0.00 H new ATOM 637 N ASP A 38 8.154 -23.875 23.553 1.00 0.00 N ATOM 638 CA ASP A 38 8.880 -24.451 24.689 1.00 0.00 C ATOM 639 C ASP A 38 8.150 -25.667 25.267 1.00 0.00 C ATOM 640 O ASP A 38 8.784 -26.607 25.746 1.00 0.00 O ATOM 641 CB ASP A 38 9.082 -23.392 25.777 1.00 0.00 C ATOM 642 CG ASP A 38 9.798 -23.979 27.005 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.023 -24.232 26.934 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.151 -24.155 28.062 1.00 0.00 O ATOM 0 H ASP A 38 7.813 -22.928 23.716 1.00 0.00 H new ATOM 0 HA ASP A 38 9.852 -24.787 24.327 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.665 -22.563 25.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.115 -22.987 26.077 1.00 0.00 H new ATOM 649 N ASP A 39 6.817 -25.677 25.168 1.00 0.00 N ATOM 650 CA ASP A 39 5.965 -26.799 25.562 1.00 0.00 C ATOM 651 C ASP A 39 6.104 -28.029 24.645 1.00 0.00 C ATOM 652 O ASP A 39 5.543 -29.082 24.955 1.00 0.00 O ATOM 653 CB ASP A 39 4.497 -26.360 25.709 1.00 0.00 C ATOM 654 CG ASP A 39 3.798 -25.950 24.411 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.887 -26.647 23.378 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.095 -24.915 24.425 1.00 0.00 O ATOM 0 H ASP A 39 6.289 -24.884 24.802 1.00 0.00 H new ATOM 0 HA ASP A 39 6.322 -27.122 26.540 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.935 -27.177 26.161 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.455 -25.522 26.404 1.00 0.00 H new ATOM 661 N GLY A 40 6.873 -27.932 23.554 1.00 0.00 N ATOM 662 CA GLY A 40 7.243 -29.061 22.704 1.00 0.00 C ATOM 663 C GLY A 40 6.465 -29.110 21.389 1.00 0.00 C ATOM 664 O GLY A 40 6.859 -29.843 20.480 1.00 0.00 O ATOM 0 H GLY A 40 7.262 -27.045 23.234 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.309 -29.008 22.485 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.076 -29.989 23.251 1.00 0.00 H new ATOM 668 N ARG A 41 5.378 -28.345 21.255 1.00 0.00 N ATOM 669 CA ARG A 41 4.635 -28.236 20.005 1.00 0.00 C ATOM 670 C ARG A 41 5.425 -27.425 18.981 1.00 0.00 C ATOM 671 O ARG A 41 6.424 -26.776 19.304 1.00 0.00 O ATOM 672 CB ARG A 41 3.260 -27.609 20.291 1.00 0.00 C ATOM 673 CG ARG A 41 2.366 -28.588 21.069 1.00 0.00 C ATOM 674 CD ARG A 41 1.017 -27.968 21.438 1.00 0.00 C ATOM 675 NE ARG A 41 1.167 -26.901 22.441 1.00 0.00 N ATOM 676 CZ ARG A 41 0.165 -26.174 22.952 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.088 -26.350 22.537 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.425 -25.270 23.887 1.00 0.00 N ATOM 0 H ARG A 41 4.991 -27.784 22.014 1.00 0.00 H new ATOM 0 HA ARG A 41 4.482 -29.227 19.578 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.386 -26.690 20.864 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.777 -27.336 19.353 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.201 -29.483 20.469 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.880 -28.904 21.977 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.545 -27.563 20.543 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.354 -28.742 21.825 1.00 0.00 H new ATOM 0 HE ARG A 41 2.110 -26.699 22.774 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.295 -27.046 21.821 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.841 -25.789 22.935 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.382 -25.133 24.212 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.332 -24.712 24.282 1.00 0.00 H new ATOM 692 N VAL A 42 4.950 -27.412 17.746 1.00 0.00 N ATOM 693 CA VAL A 42 5.337 -26.413 16.756 1.00 0.00 C ATOM 694 C VAL A 42 4.148 -25.468 16.634 1.00 0.00 C ATOM 695 O VAL A 42 2.996 -25.886 16.785 1.00 0.00 O ATOM 696 CB VAL A 42 5.710 -27.086 15.417 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.066 -26.079 14.311 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.910 -28.016 15.608 1.00 0.00 C ATOM 0 H VAL A 42 4.280 -28.098 17.397 1.00 0.00 H new ATOM 0 HA VAL A 42 6.227 -25.859 17.053 1.00 0.00 H new ATOM 0 HB VAL A 42 4.824 -27.639 15.105 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.318 -26.617 13.397 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.213 -25.427 14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.920 -25.479 14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.163 -28.484 14.657 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.763 -27.440 15.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.660 -28.787 16.337 1.00 0.00 H new ATOM 708 N GLU A 43 4.430 -24.203 16.337 1.00 0.00 N ATOM 709 CA GLU A 43 3.432 -23.204 16.009 1.00 0.00 C ATOM 710 C GLU A 43 3.899 -22.491 14.749 1.00 0.00 C ATOM 711 O GLU A 43 5.097 -22.283 14.536 1.00 0.00 O ATOM 712 CB GLU A 43 3.233 -22.268 17.207 1.00 0.00 C ATOM 713 CG GLU A 43 2.410 -21.014 16.876 1.00 0.00 C ATOM 714 CD GLU A 43 1.883 -20.265 18.110 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.244 -20.587 19.266 1.00 0.00 O ATOM 716 OE2 GLU A 43 1.053 -19.349 17.918 1.00 0.00 O ATOM 0 H GLU A 43 5.383 -23.841 16.319 1.00 0.00 H new ATOM 0 HA GLU A 43 2.455 -23.644 15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.738 -22.817 18.008 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.209 -21.963 17.585 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.025 -20.334 16.287 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.565 -21.302 16.251 1.00 0.00 H new ATOM 723 N ILE A 44 2.939 -22.144 13.900 1.00 0.00 N ATOM 724 CA ILE A 44 3.147 -21.562 12.595 1.00 0.00 C ATOM 725 C ILE A 44 2.047 -20.514 12.439 1.00 0.00 C ATOM 726 O ILE A 44 0.923 -20.714 12.907 1.00 0.00 O ATOM 727 CB ILE A 44 3.035 -22.646 11.489 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.566 -24.046 11.895 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.737 -22.151 10.215 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.452 -25.130 10.817 1.00 0.00 C ATOM 0 H ILE A 44 1.951 -22.270 14.120 1.00 0.00 H new ATOM 0 HA ILE A 44 4.140 -21.122 12.500 1.00 0.00 H new ATOM 0 HB ILE A 44 1.969 -22.790 11.312 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.614 -23.950 12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.024 -24.379 12.780 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.659 -22.911 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.263 -21.232 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.788 -21.959 10.430 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.850 -26.069 11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.405 -25.264 10.545 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.019 -24.829 9.937 1.00 0.00 H new ATOM 742 N LEU A 45 2.344 -19.430 11.735 1.00 0.00 N ATOM 743 CA LEU A 45 1.365 -18.457 11.277 1.00 0.00 C ATOM 744 C LEU A 45 1.794 -18.143 9.855 1.00 0.00 C ATOM 745 O LEU A 45 2.975 -17.890 9.636 1.00 0.00 O ATOM 746 CB LEU A 45 1.370 -17.238 12.218 1.00 0.00 C ATOM 747 CG LEU A 45 0.201 -16.254 12.003 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.093 -15.320 13.213 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.358 -15.384 10.747 1.00 0.00 C ATOM 0 H LEU A 45 3.299 -19.198 11.460 1.00 0.00 H new ATOM 0 HA LEU A 45 0.334 -18.811 11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.345 -17.591 13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.309 -16.700 12.088 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.694 -16.864 11.877 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.732 -14.624 13.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.088 -15.909 14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.022 -14.762 13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.499 -14.716 10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.271 -14.794 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.413 -16.023 9.866 1.00 0.00 H new ATOM 761 N ALA A 46 0.885 -18.220 8.886 1.00 0.00 N ATOM 762 CA ALA A 46 1.211 -18.074 7.473 1.00 0.00 C ATOM 763 C ALA A 46 0.136 -17.255 6.771 1.00 0.00 C ATOM 764 O ALA A 46 -0.994 -17.172 7.248 1.00 0.00 O ATOM 765 CB ALA A 46 1.359 -19.457 6.834 1.00 0.00 C ATOM 0 H ALA A 46 -0.106 -18.387 9.063 1.00 0.00 H new ATOM 0 HA ALA A 46 2.158 -17.544 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.603 -19.345 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.157 -20.006 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.423 -20.006 6.934 1.00 0.00 H new ATOM 771 N GLU A 47 0.481 -16.669 5.631 1.00 0.00 N ATOM 772 CA GLU A 47 -0.359 -15.769 4.859 1.00 0.00 C ATOM 773 C GLU A 47 -0.148 -16.100 3.388 1.00 0.00 C ATOM 774 O GLU A 47 0.997 -16.280 2.956 1.00 0.00 O ATOM 775 CB GLU A 47 0.035 -14.308 5.136 1.00 0.00 C ATOM 776 CG GLU A 47 -0.242 -13.904 6.586 1.00 0.00 C ATOM 777 CD GLU A 47 0.094 -12.438 6.861 1.00 0.00 C ATOM 778 OE1 GLU A 47 1.267 -12.029 6.716 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.829 -11.700 7.271 1.00 0.00 O ATOM 0 H GLU A 47 1.395 -16.816 5.203 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.407 -15.891 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.094 -14.171 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.517 -13.650 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.293 -14.081 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.341 -14.538 7.254 1.00 0.00 H new ATOM 786 N GLY A 48 -1.239 -16.193 2.627 1.00 0.00 N ATOM 787 CA GLY A 48 -1.191 -16.630 1.236 1.00 0.00 C ATOM 788 C GLY A 48 -2.590 -16.842 0.661 1.00 0.00 C ATOM 789 O GLY A 48 -3.577 -16.581 1.354 1.00 0.00 O ATOM 0 H GLY A 48 -2.177 -15.968 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.661 -15.887 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.624 -17.558 1.166 1.00 0.00 H new ATOM 793 N PRO A 49 -2.709 -17.292 -0.597 1.00 0.00 N ATOM 794 CA PRO A 49 -3.980 -17.740 -1.148 1.00 0.00 C ATOM 795 C PRO A 49 -4.402 -19.067 -0.502 1.00 0.00 C ATOM 796 O PRO A 49 -3.570 -19.831 0.000 1.00 0.00 O ATOM 797 CB PRO A 49 -3.746 -17.862 -2.656 1.00 0.00 C ATOM 798 CG PRO A 49 -2.254 -18.173 -2.767 1.00 0.00 C ATOM 799 CD PRO A 49 -1.636 -17.446 -1.570 1.00 0.00 C ATOM 0 HA PRO A 49 -4.797 -17.047 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.354 -18.654 -3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.003 -16.940 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.065 -19.246 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.840 -17.814 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.808 -18.018 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.236 -16.476 -1.866 1.00 0.00 H new ATOM 807 N GLU A 50 -5.704 -19.359 -0.541 1.00 0.00 N ATOM 808 CA GLU A 50 -6.292 -20.492 0.167 1.00 0.00 C ATOM 809 C GLU A 50 -5.662 -21.813 -0.285 1.00 0.00 C ATOM 810 O GLU A 50 -5.279 -22.617 0.558 1.00 0.00 O ATOM 811 CB GLU A 50 -7.815 -20.485 -0.044 1.00 0.00 C ATOM 812 CG GLU A 50 -8.534 -21.534 0.816 1.00 0.00 C ATOM 813 CD GLU A 50 -10.058 -21.478 0.608 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.572 -22.105 -0.346 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.764 -20.817 1.403 1.00 0.00 O ATOM 0 H GLU A 50 -6.382 -18.810 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.087 -20.397 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.207 -19.496 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.033 -20.671 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.167 -22.529 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.302 -21.366 1.868 1.00 0.00 H new ATOM 822 N ASN A 51 -5.487 -22.025 -1.596 1.00 0.00 N ATOM 823 CA ASN A 51 -4.918 -23.273 -2.118 1.00 0.00 C ATOM 824 C ASN A 51 -3.491 -23.504 -1.618 1.00 0.00 C ATOM 825 O ASN A 51 -3.110 -24.636 -1.305 1.00 0.00 O ATOM 826 CB ASN A 51 -4.938 -23.268 -3.654 1.00 0.00 C ATOM 827 CG ASN A 51 -4.231 -24.499 -4.218 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.100 -24.414 -4.689 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.863 -25.660 -4.171 1.00 0.00 N ATOM 0 H ASN A 51 -5.732 -21.345 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.537 -24.091 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.969 -23.243 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.453 -22.365 -4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.411 -26.501 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.802 -25.714 -3.777 1.00 0.00 H new ATOM 836 N ALA A 52 -2.706 -22.427 -1.519 1.00 0.00 N ATOM 837 CA ALA A 52 -1.349 -22.506 -1.006 1.00 0.00 C ATOM 838 C ALA A 52 -1.374 -22.872 0.472 1.00 0.00 C ATOM 839 O ALA A 52 -0.643 -23.767 0.887 1.00 0.00 O ATOM 840 CB ALA A 52 -0.610 -21.182 -1.232 1.00 0.00 C ATOM 0 H ALA A 52 -2.996 -21.488 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.811 -23.285 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.405 -21.260 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.572 -20.964 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.136 -20.379 -0.716 1.00 0.00 H new ATOM 846 N LEU A 53 -2.230 -22.218 1.258 1.00 0.00 N ATOM 847 CA LEU A 53 -2.320 -22.464 2.690 1.00 0.00 C ATOM 848 C LEU A 53 -2.868 -23.865 2.983 1.00 0.00 C ATOM 849 O LEU A 53 -2.389 -24.517 3.907 1.00 0.00 O ATOM 850 CB LEU A 53 -3.173 -21.368 3.340 1.00 0.00 C ATOM 851 CG LEU A 53 -2.503 -19.979 3.326 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.523 -18.924 3.747 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.282 -19.901 4.254 1.00 0.00 C ATOM 0 H LEU A 53 -2.876 -21.506 0.918 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.320 -22.428 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.129 -21.307 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.388 -21.649 4.371 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.152 -19.798 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.054 -17.940 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.362 -18.932 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.882 -19.146 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.850 -18.901 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.589 -20.113 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.538 -20.633 3.939 1.00 0.00 H new ATOM 865 N GLN A 54 -3.807 -24.373 2.179 1.00 0.00 N ATOM 866 CA GLN A 54 -4.278 -25.750 2.269 1.00 0.00 C ATOM 867 C GLN A 54 -3.123 -26.716 2.000 1.00 0.00 C ATOM 868 O GLN A 54 -2.891 -27.623 2.797 1.00 0.00 O ATOM 869 CB GLN A 54 -5.418 -25.979 1.264 1.00 0.00 C ATOM 870 CG GLN A 54 -6.744 -25.341 1.702 1.00 0.00 C ATOM 871 CD GLN A 54 -7.839 -25.535 0.648 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.661 -25.244 -0.533 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.994 -26.048 1.042 1.00 0.00 N ATOM 0 H GLN A 54 -4.262 -23.833 1.443 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.657 -25.935 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.128 -25.571 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.565 -27.050 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.065 -25.780 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.595 -24.276 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.137 -26.288 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.741 -26.203 0.365 1.00 0.00 H new ATOM 882 N SER A 55 -2.364 -26.510 0.919 1.00 0.00 N ATOM 883 CA SER A 55 -1.229 -27.374 0.592 1.00 0.00 C ATOM 884 C SER A 55 -0.169 -27.331 1.703 1.00 0.00 C ATOM 885 O SER A 55 0.423 -28.351 2.059 1.00 0.00 O ATOM 886 CB SER A 55 -0.616 -26.934 -0.743 1.00 0.00 C ATOM 887 OG SER A 55 -1.581 -26.904 -1.782 1.00 0.00 O ATOM 0 H SER A 55 -2.517 -25.751 0.255 1.00 0.00 H new ATOM 0 HA SER A 55 -1.585 -28.401 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.172 -25.945 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.190 -27.616 -1.015 1.00 0.00 H new ATOM 0 HG SER A 55 -2.149 -26.112 -1.678 1.00 0.00 H new ATOM 893 N PHE A 56 0.051 -26.151 2.283 1.00 0.00 N ATOM 894 CA PHE A 56 0.984 -25.942 3.372 1.00 0.00 C ATOM 895 C PHE A 56 0.536 -26.724 4.611 1.00 0.00 C ATOM 896 O PHE A 56 1.356 -27.420 5.204 1.00 0.00 O ATOM 897 CB PHE A 56 1.083 -24.435 3.611 1.00 0.00 C ATOM 898 CG PHE A 56 2.081 -23.984 4.652 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.463 -24.119 4.415 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.626 -23.339 5.816 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.385 -23.586 5.332 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.548 -22.806 6.728 1.00 0.00 C ATOM 903 CZ PHE A 56 3.926 -22.911 6.476 1.00 0.00 C ATOM 0 H PHE A 56 -0.430 -25.298 1.996 1.00 0.00 H new ATOM 0 HA PHE A 56 1.977 -26.319 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.335 -23.955 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.098 -24.070 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.813 -24.631 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.566 -23.254 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.445 -23.695 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.199 -22.315 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.634 -22.472 7.163 1.00 0.00 H new ATOM 913 N VAL A 57 -0.754 -26.696 4.964 1.00 0.00 N ATOM 914 CA VAL A 57 -1.293 -27.530 6.036 1.00 0.00 C ATOM 915 C VAL A 57 -1.034 -29.003 5.710 1.00 0.00 C ATOM 916 O VAL A 57 -0.475 -29.701 6.552 1.00 0.00 O ATOM 917 CB VAL A 57 -2.788 -27.213 6.277 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.503 -28.267 7.135 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.942 -25.863 6.989 1.00 0.00 C ATOM 0 H VAL A 57 -1.447 -26.097 4.516 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.785 -27.308 6.974 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.245 -27.200 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.547 -27.983 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.449 -29.237 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.020 -28.331 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.000 -25.656 7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.428 -25.898 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.508 -25.075 6.373 1.00 0.00 H new ATOM 929 N GLU A 58 -1.374 -29.468 4.501 1.00 0.00 N ATOM 930 CA GLU A 58 -1.213 -30.867 4.093 1.00 0.00 C ATOM 931 C GLU A 58 0.238 -31.329 4.276 1.00 0.00 C ATOM 932 O GLU A 58 0.486 -32.452 4.716 1.00 0.00 O ATOM 933 CB GLU A 58 -1.648 -31.054 2.628 1.00 0.00 C ATOM 934 CG GLU A 58 -3.158 -30.922 2.383 1.00 0.00 C ATOM 935 CD GLU A 58 -3.911 -32.230 2.675 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.356 -32.429 3.827 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.081 -33.059 1.751 1.00 0.00 O ATOM 0 H GLU A 58 -1.773 -28.876 3.772 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.851 -31.479 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.129 -30.319 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.324 -32.038 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.558 -30.127 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.332 -30.628 1.348 1.00 0.00 H new ATOM 944 N ALA A 59 1.195 -30.449 3.979 1.00 0.00 N ATOM 945 CA ALA A 59 2.616 -30.707 4.154 1.00 0.00 C ATOM 946 C ALA A 59 2.974 -30.796 5.641 1.00 0.00 C ATOM 947 O ALA A 59 3.649 -31.735 6.067 1.00 0.00 O ATOM 948 CB ALA A 59 3.432 -29.611 3.460 1.00 0.00 C ATOM 0 H ALA A 59 0.996 -29.522 3.604 1.00 0.00 H new ATOM 0 HA ALA A 59 2.858 -31.666 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.495 -29.809 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.196 -29.601 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.185 -28.643 3.896 1.00 0.00 H new ATOM 954 N VAL A 60 2.493 -29.849 6.449 1.00 0.00 N ATOM 955 CA VAL A 60 2.710 -29.827 7.892 1.00 0.00 C ATOM 956 C VAL A 60 2.123 -31.083 8.557 1.00 0.00 C ATOM 957 O VAL A 60 2.684 -31.535 9.555 1.00 0.00 O ATOM 958 CB VAL A 60 2.161 -28.502 8.469 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.184 -28.461 10.001 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.000 -27.304 7.986 1.00 0.00 C ATOM 0 H VAL A 60 1.934 -29.065 6.112 1.00 0.00 H new ATOM 0 HA VAL A 60 3.777 -29.857 8.113 1.00 0.00 H new ATOM 0 HB VAL A 60 1.131 -28.443 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.787 -27.506 10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.573 -29.272 10.396 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.209 -28.575 10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.594 -26.383 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.032 -27.428 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.968 -27.252 6.898 1.00 0.00 H new ATOM 970 N LYS A 61 1.068 -31.708 8.005 1.00 0.00 N ATOM 971 CA LYS A 61 0.565 -32.979 8.538 1.00 0.00 C ATOM 972 C LYS A 61 1.651 -34.055 8.524 1.00 0.00 C ATOM 973 O LYS A 61 1.672 -34.897 9.419 1.00 0.00 O ATOM 974 CB LYS A 61 -0.660 -33.516 7.780 1.00 0.00 C ATOM 975 CG LYS A 61 -1.842 -32.548 7.680 1.00 0.00 C ATOM 976 CD LYS A 61 -3.082 -33.234 7.096 1.00 0.00 C ATOM 977 CE LYS A 61 -4.279 -32.275 7.157 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.416 -32.757 6.341 1.00 0.00 N ATOM 0 H LYS A 61 0.554 -31.355 7.198 1.00 0.00 H new ATOM 0 HA LYS A 61 0.262 -32.758 9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.351 -33.792 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.999 -34.429 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.075 -32.153 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.566 -31.699 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.894 -33.531 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.303 -34.144 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.599 -32.159 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.973 -31.290 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.283 -32.258 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.224 -32.573 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.541 -33.779 6.489 1.00 0.00 H new ATOM 992 N ASN A 62 2.530 -34.055 7.514 1.00 0.00 N ATOM 993 CA ASN A 62 3.644 -34.990 7.452 1.00 0.00 C ATOM 994 C ASN A 62 4.789 -34.524 8.347 1.00 0.00 C ATOM 995 O ASN A 62 5.386 -35.329 9.059 1.00 0.00 O ATOM 996 CB ASN A 62 4.149 -35.158 6.011 1.00 0.00 C ATOM 997 CG ASN A 62 5.159 -36.302 5.935 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.779 -37.464 5.817 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.448 -36.022 6.002 1.00 0.00 N ATOM 0 H ASN A 62 2.484 -33.409 6.726 1.00 0.00 H new ATOM 0 HA ASN A 62 3.283 -35.955 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.310 -35.359 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.611 -34.232 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.136 -36.773 5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.755 -35.054 6.100 1.00 0.00 H new ATOM 1006 N GLY A 63 5.085 -33.223 8.308 1.00 0.00 N ATOM 1007 CA GLY A 63 6.313 -32.675 8.866 1.00 0.00 C ATOM 1008 C GLY A 63 7.509 -33.051 7.989 1.00 0.00 C ATOM 1009 O GLY A 63 7.338 -33.488 6.845 1.00 0.00 O ATOM 0 H GLY A 63 4.475 -32.522 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.234 -31.590 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.462 -33.054 9.877 1.00 0.00 H new ATOM 1013 N SER A 64 8.722 -32.871 8.515 1.00 0.00 N ATOM 1014 CA SER A 64 9.955 -33.260 7.841 1.00 0.00 C ATOM 1015 C SER A 64 9.985 -34.775 7.550 1.00 0.00 C ATOM 1016 O SER A 64 9.223 -35.535 8.159 1.00 0.00 O ATOM 1017 CB SER A 64 11.152 -32.835 8.706 1.00 0.00 C ATOM 1018 OG SER A 64 11.243 -33.634 9.873 1.00 0.00 O ATOM 0 H SER A 64 8.874 -32.447 9.430 1.00 0.00 H new ATOM 0 HA SER A 64 10.010 -32.755 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.072 -32.922 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.049 -31.786 8.986 1.00 0.00 H new ATOM 0 HG SER A 64 12.127 -33.518 10.281 1.00 0.00 H new ATOM 1024 N PRO A 65 10.916 -35.256 6.703 1.00 0.00 N ATOM 1025 CA PRO A 65 11.171 -36.682 6.493 1.00 0.00 C ATOM 1026 C PRO A 65 11.437 -37.515 7.763 1.00 0.00 C ATOM 1027 O PRO A 65 11.394 -38.745 7.678 1.00 0.00 O ATOM 1028 CB PRO A 65 12.372 -36.749 5.543 1.00 0.00 C ATOM 1029 CG PRO A 65 12.279 -35.442 4.762 1.00 0.00 C ATOM 1030 CD PRO A 65 11.753 -34.464 5.809 1.00 0.00 C ATOM 0 HA PRO A 65 10.265 -37.134 6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.312 -36.825 6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.315 -37.616 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.249 -35.134 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.604 -35.526 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.573 -33.995 6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.180 -33.663 5.343 1.00 0.00 H new ATOM 1038 N PHE A 66 11.707 -36.893 8.921 1.00 0.00 N ATOM 1039 CA PHE A 66 11.968 -37.584 10.185 1.00 0.00 C ATOM 1040 C PHE A 66 10.999 -37.142 11.296 1.00 0.00 C ATOM 1041 O PHE A 66 11.106 -37.612 12.433 1.00 0.00 O ATOM 1042 CB PHE A 66 13.449 -37.399 10.563 1.00 0.00 C ATOM 1043 CG PHE A 66 13.920 -38.228 11.749 1.00 0.00 C ATOM 1044 CD1 PHE A 66 13.786 -39.632 11.738 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.480 -37.597 12.877 1.00 0.00 C ATOM 1046 CE1 PHE A 66 14.182 -40.390 12.854 1.00 0.00 C ATOM 1047 CE2 PHE A 66 14.875 -38.356 13.993 1.00 0.00 C ATOM 1048 CZ PHE A 66 14.721 -39.753 13.985 1.00 0.00 C ATOM 0 H PHE A 66 11.750 -35.877 9.002 1.00 0.00 H new ATOM 0 HA PHE A 66 11.781 -38.650 10.059 1.00 0.00 H new ATOM 0 HB2 PHE A 66 14.063 -37.649 9.698 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.623 -36.346 10.783 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.378 -40.127 10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.607 -36.524 12.885 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.072 -41.464 12.842 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.297 -37.865 14.857 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.016 -40.335 14.845 1.00 0.00 H new ATOM 1058 N SER A 67 10.023 -36.284 10.996 1.00 0.00 N ATOM 1059 CA SER A 67 8.941 -35.988 11.918 1.00 0.00 C ATOM 1060 C SER A 67 8.057 -37.224 12.117 1.00 0.00 C ATOM 1061 O SER A 67 7.999 -38.120 11.268 1.00 0.00 O ATOM 1062 CB SER A 67 8.109 -34.835 11.361 1.00 0.00 C ATOM 1063 OG SER A 67 8.893 -33.663 11.276 1.00 0.00 O ATOM 0 H SER A 67 9.966 -35.781 10.111 1.00 0.00 H new ATOM 0 HA SER A 67 9.359 -35.705 12.884 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.726 -35.097 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.245 -34.658 12.002 1.00 0.00 H new ATOM 0 HG SER A 67 9.723 -33.859 10.793 1.00 0.00 H new ATOM 1069 N LYS A 68 7.317 -37.231 13.224 1.00 0.00 N ATOM 1070 CA LYS A 68 6.235 -38.170 13.502 1.00 0.00 C ATOM 1071 C LYS A 68 5.143 -37.356 14.186 1.00 0.00 C ATOM 1072 O LYS A 68 5.037 -37.352 15.411 1.00 0.00 O ATOM 1073 CB LYS A 68 6.756 -39.380 14.314 1.00 0.00 C ATOM 1074 CG LYS A 68 5.873 -40.638 14.236 1.00 0.00 C ATOM 1075 CD LYS A 68 4.509 -40.505 14.934 1.00 0.00 C ATOM 1076 CE LYS A 68 3.701 -41.814 14.906 1.00 0.00 C ATOM 1077 NZ LYS A 68 4.287 -42.885 15.752 1.00 0.00 N ATOM 0 H LYS A 68 7.460 -36.559 13.978 1.00 0.00 H new ATOM 0 HA LYS A 68 5.820 -38.624 12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.756 -39.633 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.852 -39.084 15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.708 -40.886 13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.414 -41.474 14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.663 -40.199 15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.933 -39.716 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.684 -41.612 15.241 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.633 -42.169 13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.678 -43.728 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.235 -43.127 15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.359 -42.551 16.734 1.00 0.00 H new ATOM 1091 N VAL A 69 4.396 -36.589 13.395 1.00 0.00 N ATOM 1092 CA VAL A 69 3.240 -35.833 13.864 1.00 0.00 C ATOM 1093 C VAL A 69 2.225 -36.826 14.448 1.00 0.00 C ATOM 1094 O VAL A 69 2.006 -37.896 13.870 1.00 0.00 O ATOM 1095 CB VAL A 69 2.654 -35.029 12.681 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.365 -34.279 13.051 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.671 -34.009 12.138 1.00 0.00 C ATOM 0 H VAL A 69 4.580 -36.475 12.398 1.00 0.00 H new ATOM 0 HA VAL A 69 3.513 -35.122 14.643 1.00 0.00 H new ATOM 0 HB VAL A 69 2.419 -35.768 11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.000 -33.733 12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.608 -34.994 13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.571 -33.578 13.860 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.228 -33.460 11.307 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.944 -33.311 12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.562 -34.533 11.793 1.00 0.00 H new ATOM 1107 N THR A 70 1.578 -36.460 15.553 1.00 0.00 N ATOM 1108 CA THR A 70 0.513 -37.235 16.180 1.00 0.00 C ATOM 1109 C THR A 70 -0.778 -36.413 16.293 1.00 0.00 C ATOM 1110 O THR A 70 -1.859 -36.997 16.398 1.00 0.00 O ATOM 1111 CB THR A 70 0.986 -37.753 17.551 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.380 -36.671 18.372 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.180 -38.705 17.416 1.00 0.00 C ATOM 0 H THR A 70 1.787 -35.593 16.049 1.00 0.00 H new ATOM 0 HA THR A 70 0.282 -38.095 15.551 1.00 0.00 H new ATOM 0 HB THR A 70 0.148 -38.290 17.995 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.677 -37.011 19.242 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.485 -39.049 18.404 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.895 -39.562 16.805 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.011 -38.182 16.942 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.701 -35.078 16.216 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.859 -34.188 16.225 1.00 0.00 C ATOM 1123 C ASP A 71 -1.504 -32.881 15.515 1.00 0.00 C ATOM 1124 O ASP A 71 -0.341 -32.471 15.506 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.296 -33.899 17.671 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.526 -32.978 17.723 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.526 -33.266 17.029 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.505 -31.983 18.479 1.00 0.00 O ATOM 0 H ASP A 71 0.187 -34.581 16.144 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.684 -34.671 15.702 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.523 -34.838 18.176 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.472 -33.436 18.214 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.503 -32.225 14.929 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.378 -30.958 14.222 1.00 0.00 C ATOM 1135 C ILE A 72 -3.714 -30.216 14.372 1.00 0.00 C ATOM 1136 O ILE A 72 -4.776 -30.849 14.385 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.964 -31.211 12.745 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.676 -29.878 12.014 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.976 -32.085 11.974 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.220 -30.039 10.559 1.00 0.00 C ATOM 0 H ILE A 72 -3.460 -32.578 14.936 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.591 -30.331 14.641 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.039 -31.787 12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.577 -29.265 12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.908 -29.334 12.565 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.630 -32.225 10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.065 -33.055 12.463 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.949 -31.593 11.964 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.040 -29.056 10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.300 -30.623 10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.995 -30.552 9.990 1.00 0.00 H new ATOM 1152 N SER A 73 -3.666 -28.886 14.457 1.00 0.00 N ATOM 1153 CA SER A 73 -4.827 -28.009 14.564 1.00 0.00 C ATOM 1154 C SER A 73 -4.578 -26.769 13.706 1.00 0.00 C ATOM 1155 O SER A 73 -3.424 -26.381 13.505 1.00 0.00 O ATOM 1156 CB SER A 73 -5.049 -27.608 16.031 1.00 0.00 C ATOM 1157 OG SER A 73 -5.197 -28.742 16.873 1.00 0.00 O ATOM 0 H SER A 73 -2.784 -28.374 14.453 1.00 0.00 H new ATOM 0 HA SER A 73 -5.720 -28.526 14.213 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.207 -27.008 16.375 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.938 -26.982 16.106 1.00 0.00 H new ATOM 0 HG SER A 73 -5.335 -28.447 17.797 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.648 -26.143 13.209 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.591 -25.005 12.296 1.00 0.00 C ATOM 1165 C VAL A 74 -6.672 -24.000 12.717 1.00 0.00 C ATOM 1166 O VAL A 74 -7.760 -24.394 13.148 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.787 -25.477 10.831 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.571 -24.334 9.825 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.845 -26.627 10.439 1.00 0.00 C ATOM 0 H VAL A 74 -6.602 -26.423 13.438 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.614 -24.523 12.346 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.818 -25.828 10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.718 -24.708 8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.285 -23.535 10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.557 -23.948 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.030 -26.912 9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.810 -26.302 10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.026 -27.483 11.089 1.00 0.00 H new ATOM 1179 N THR A 75 -6.378 -22.712 12.552 1.00 0.00 N ATOM 1180 CA THR A 75 -7.308 -21.591 12.672 1.00 0.00 C ATOM 1181 C THR A 75 -7.012 -20.661 11.482 1.00 0.00 C ATOM 1182 O THR A 75 -5.926 -20.740 10.902 1.00 0.00 O ATOM 1183 CB THR A 75 -7.109 -20.883 14.033 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.899 -21.807 15.089 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.307 -20.010 14.429 1.00 0.00 C ATOM 0 H THR A 75 -5.434 -22.406 12.318 1.00 0.00 H new ATOM 0 HA THR A 75 -8.349 -21.912 12.645 1.00 0.00 H new ATOM 0 HB THR A 75 -6.227 -20.258 13.891 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.776 -21.320 15.930 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.111 -19.538 15.392 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.462 -19.240 13.673 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.200 -20.630 14.504 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.943 -19.787 11.095 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.779 -18.917 9.933 1.00 0.00 C ATOM 1195 C GLU A 76 -8.512 -17.585 10.124 1.00 0.00 C ATOM 1196 O GLU A 76 -9.395 -17.469 10.981 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.239 -19.648 8.655 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.748 -19.938 8.620 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.141 -20.751 7.374 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.420 -20.147 6.313 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.220 -21.998 7.456 1.00 0.00 O ATOM 0 H GLU A 76 -8.832 -19.664 11.580 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.721 -18.679 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.973 -19.045 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.695 -20.589 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.034 -20.486 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.300 -18.998 8.631 1.00 0.00 H new ATOM 1208 N SER A 77 -8.151 -16.601 9.299 1.00 0.00 N ATOM 1209 CA SER A 77 -8.673 -15.242 9.292 1.00 0.00 C ATOM 1210 C SER A 77 -8.637 -14.716 7.853 1.00 0.00 C ATOM 1211 O SER A 77 -7.696 -15.007 7.107 1.00 0.00 O ATOM 1212 CB SER A 77 -7.782 -14.340 10.169 1.00 0.00 C ATOM 1213 OG SER A 77 -7.588 -14.867 11.475 1.00 0.00 O ATOM 0 H SER A 77 -7.445 -16.744 8.577 1.00 0.00 H new ATOM 0 HA SER A 77 -9.692 -15.237 9.680 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.814 -14.212 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.234 -13.351 10.244 1.00 0.00 H new ATOM 0 HG SER A 77 -7.016 -14.261 11.991 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.625 -13.901 7.466 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.498 -13.059 6.273 1.00 0.00 C ATOM 1221 C ARG A 78 -8.599 -11.858 6.568 1.00 0.00 C ATOM 1222 O ARG A 78 -7.929 -11.377 5.653 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.893 -12.635 5.769 1.00 0.00 C ATOM 1224 CG ARG A 78 -10.883 -11.672 4.566 1.00 0.00 C ATOM 1225 CD ARG A 78 -10.104 -12.205 3.353 1.00 0.00 C ATOM 1226 NE ARG A 78 -10.005 -11.196 2.286 1.00 0.00 N ATOM 1227 CZ ARG A 78 -9.079 -10.229 2.195 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -8.140 -10.080 3.128 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -9.105 -9.399 1.157 1.00 0.00 N ATOM 0 H ARG A 78 -10.514 -13.807 7.957 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.025 -13.630 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.452 -13.530 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.432 -12.162 6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.911 -11.470 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.449 -10.722 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.104 -12.504 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.597 -13.097 2.966 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.706 -11.235 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.115 -10.708 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.446 -9.338 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.824 -9.501 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.406 -8.660 1.077 1.00 0.00 H new ATOM 1243 N SER A 79 -8.585 -11.373 7.811 1.00 0.00 N ATOM 1244 CA SER A 79 -7.684 -10.337 8.282 1.00 0.00 C ATOM 1245 C SER A 79 -6.234 -10.778 8.069 1.00 0.00 C ATOM 1246 O SER A 79 -5.919 -11.968 8.155 1.00 0.00 O ATOM 1247 CB SER A 79 -7.965 -10.073 9.769 1.00 0.00 C ATOM 1248 OG SER A 79 -9.364 -9.982 10.010 1.00 0.00 O ATOM 0 H SER A 79 -9.223 -11.705 8.534 1.00 0.00 H new ATOM 0 HA SER A 79 -7.844 -9.416 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.539 -10.875 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.477 -9.148 10.077 1.00 0.00 H new ATOM 0 HG SER A 79 -9.522 -9.815 10.963 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.359 -9.807 7.824 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.951 -10.003 7.484 1.00 0.00 C ATOM 1256 C LEU A 80 -3.090 -9.092 8.359 1.00 0.00 C ATOM 1257 O LEU A 80 -3.587 -8.151 8.984 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.696 -9.651 6.001 1.00 0.00 C ATOM 1259 CG LEU A 80 -4.538 -10.408 4.959 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -4.229 -9.862 3.561 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.291 -11.920 4.978 1.00 0.00 C ATOM 0 H LEU A 80 -5.621 -8.822 7.858 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.694 -11.049 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.870 -8.583 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.643 -9.831 5.784 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.585 -10.249 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.825 -10.397 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.472 -8.800 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.170 -10.000 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.913 -12.400 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.241 -12.120 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.544 -12.318 5.961 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.782 -9.335 8.336 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.746 -8.480 8.900 1.00 0.00 C ATOM 1275 C GLU A 81 0.315 -8.172 7.833 1.00 0.00 C ATOM 1276 O GLU A 81 0.875 -7.074 7.827 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.157 -9.156 10.150 1.00 0.00 C ATOM 1278 CG GLU A 81 0.796 -8.229 10.918 1.00 0.00 C ATOM 1279 CD GLU A 81 1.264 -8.859 12.242 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.540 -8.757 13.261 1.00 0.00 O ATOM 1281 OE2 GLU A 81 2.374 -9.433 12.287 1.00 0.00 O ATOM 0 H GLU A 81 -1.399 -10.175 7.902 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.166 -7.524 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.968 -9.467 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.377 -10.059 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.663 -8.003 10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.296 -7.283 11.123 1.00 0.00 H new ATOM 1288 N GLY A 82 0.527 -9.083 6.877 1.00 0.00 N ATOM 1289 CA GLY A 82 1.393 -8.865 5.727 1.00 0.00 C ATOM 1290 C GLY A 82 2.861 -8.903 6.144 1.00 0.00 C ATOM 1291 O GLY A 82 3.572 -7.908 5.976 1.00 0.00 O ATOM 0 H GLY A 82 0.092 -10.005 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.204 -9.629 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.164 -7.902 5.270 1.00 0.00 H new ATOM 1295 N HIS A 83 3.293 -10.014 6.748 1.00 0.00 N ATOM 1296 CA HIS A 83 4.664 -10.194 7.220 1.00 0.00 C ATOM 1297 C HIS A 83 5.666 -10.003 6.068 1.00 0.00 C ATOM 1298 O HIS A 83 5.354 -10.276 4.905 1.00 0.00 O ATOM 1299 CB HIS A 83 4.817 -11.573 7.882 1.00 0.00 C ATOM 1300 CG HIS A 83 5.990 -11.662 8.830 1.00 0.00 C ATOM 1301 ND1 HIS A 83 7.057 -12.526 8.735 1.00 0.00 N ATOM 1302 CD2 HIS A 83 6.188 -10.909 9.958 1.00 0.00 C ATOM 1303 CE1 HIS A 83 7.877 -12.300 9.773 1.00 0.00 C ATOM 1304 NE2 HIS A 83 7.394 -11.311 10.549 1.00 0.00 N ATOM 0 H HIS A 83 2.693 -10.820 6.923 1.00 0.00 H new ATOM 0 HA HIS A 83 4.883 -9.434 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.902 -11.809 8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.930 -12.329 7.105 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.200 -13.220 8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.528 -10.138 10.328 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.796 -12.836 9.960 1.00 0.00 H new ATOM 1312 N HIS A 84 6.878 -9.540 6.387 1.00 0.00 N ATOM 1313 CA HIS A 84 7.873 -9.156 5.384 1.00 0.00 C ATOM 1314 C HIS A 84 8.402 -10.357 4.586 1.00 0.00 C ATOM 1315 O HIS A 84 8.763 -10.210 3.418 1.00 0.00 O ATOM 1316 CB HIS A 84 9.040 -8.434 6.073 1.00 0.00 C ATOM 1317 CG HIS A 84 8.619 -7.242 6.901 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.719 -7.119 8.271 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.051 -6.086 6.433 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.225 -5.917 8.618 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.803 -5.246 7.529 1.00 0.00 N ATOM 0 H HIS A 84 7.196 -9.421 7.349 1.00 0.00 H new ATOM 0 HA HIS A 84 7.381 -8.492 4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.565 -9.142 6.714 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.750 -8.105 5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.832 -5.861 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.174 -5.542 9.629 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.387 -4.315 7.506 1.00 0.00 H new ATOM 1329 N ARG A 85 8.466 -11.535 5.215 1.00 0.00 N ATOM 1330 CA ARG A 85 9.010 -12.785 4.674 1.00 0.00 C ATOM 1331 C ARG A 85 8.245 -13.935 5.327 1.00 0.00 C ATOM 1332 O ARG A 85 7.398 -13.693 6.193 1.00 0.00 O ATOM 1333 CB ARG A 85 10.515 -12.905 5.008 1.00 0.00 C ATOM 1334 CG ARG A 85 11.405 -11.837 4.351 1.00 0.00 C ATOM 1335 CD ARG A 85 12.882 -12.109 4.656 1.00 0.00 C ATOM 1336 NE ARG A 85 13.756 -11.089 4.050 1.00 0.00 N ATOM 1337 CZ ARG A 85 15.087 -11.018 4.192 1.00 0.00 C ATOM 1338 NH1 ARG A 85 15.740 -11.915 4.928 1.00 0.00 N ATOM 1339 NH2 ARG A 85 15.763 -10.044 3.591 1.00 0.00 N ATOM 0 H ARG A 85 8.121 -11.648 6.168 1.00 0.00 H new ATOM 0 HA ARG A 85 8.901 -12.809 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.639 -12.847 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.865 -13.890 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.245 -11.834 3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.128 -10.848 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.035 -12.126 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.157 -13.095 4.280 1.00 0.00 H new ATOM 0 HE ARG A 85 13.310 -10.376 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.227 -12.666 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.753 -11.851 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.269 -9.355 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.776 -9.986 3.696 1.00 0.00 H new ATOM 1353 N PHE A 86 8.553 -15.183 4.973 1.00 0.00 N ATOM 1354 CA PHE A 86 8.309 -16.295 5.882 1.00 0.00 C ATOM 1355 C PHE A 86 9.613 -16.545 6.646 1.00 0.00 C ATOM 1356 O PHE A 86 10.668 -16.606 6.004 1.00 0.00 O ATOM 1357 CB PHE A 86 7.821 -17.538 5.134 1.00 0.00 C ATOM 1358 CG PHE A 86 7.294 -18.581 6.098 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.176 -19.514 6.665 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.939 -18.581 6.478 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.719 -20.424 7.630 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.481 -19.484 7.451 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.373 -20.399 8.030 1.00 0.00 C ATOM 0 H PHE A 86 8.965 -15.444 4.077 1.00 0.00 H new ATOM 0 HA PHE A 86 7.510 -16.053 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.037 -17.259 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.639 -17.959 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.211 -19.531 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.251 -17.886 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.400 -21.141 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.444 -19.474 7.753 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.023 -21.087 8.786 1.00 0.00 H new ATOM 1373 N SER A 87 9.561 -16.693 7.975 1.00 0.00 N ATOM 1374 CA SER A 87 10.772 -16.712 8.802 1.00 0.00 C ATOM 1375 C SER A 87 10.729 -17.776 9.907 1.00 0.00 C ATOM 1376 O SER A 87 9.695 -18.003 10.535 1.00 0.00 O ATOM 1377 CB SER A 87 10.959 -15.325 9.436 1.00 0.00 C ATOM 1378 OG SER A 87 10.899 -14.288 8.466 1.00 0.00 O ATOM 0 H SER A 87 8.693 -16.801 8.500 1.00 0.00 H new ATOM 0 HA SER A 87 11.609 -16.966 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.188 -15.163 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.920 -15.287 9.950 1.00 0.00 H new ATOM 0 HG SER A 87 11.020 -13.421 8.906 1.00 0.00 H new ATOM 1384 N ILE A 88 11.874 -18.387 10.214 1.00 0.00 N ATOM 1385 CA ILE A 88 12.035 -19.153 11.445 1.00 0.00 C ATOM 1386 C ILE A 88 12.162 -18.130 12.585 1.00 0.00 C ATOM 1387 O ILE A 88 12.830 -17.102 12.435 1.00 0.00 O ATOM 1388 CB ILE A 88 13.252 -20.105 11.351 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.136 -21.037 10.120 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.359 -20.942 12.638 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.413 -21.814 9.792 1.00 0.00 C ATOM 0 H ILE A 88 12.705 -18.364 9.623 1.00 0.00 H new ATOM 0 HA ILE A 88 11.179 -19.803 11.629 1.00 0.00 H new ATOM 0 HB ILE A 88 14.152 -19.501 11.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.327 -21.747 10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.856 -20.440 9.252 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.217 -21.610 12.567 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.485 -20.279 13.494 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.450 -21.530 12.766 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.243 -22.441 8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.222 -21.114 9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.685 -22.442 10.641 1.00 0.00 H new ATOM 1403 N VAL A 89 11.533 -18.419 13.721 1.00 0.00 N ATOM 1404 CA VAL A 89 11.490 -17.591 14.920 1.00 0.00 C ATOM 1405 C VAL A 89 11.775 -18.523 16.110 1.00 0.00 C ATOM 1406 O VAL A 89 11.566 -19.738 16.028 1.00 0.00 O ATOM 1407 CB VAL A 89 10.120 -16.867 14.971 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.873 -16.107 16.283 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.989 -15.849 13.822 1.00 0.00 C ATOM 0 H VAL A 89 11.010 -19.287 13.835 1.00 0.00 H new ATOM 0 HA VAL A 89 12.239 -16.799 14.938 1.00 0.00 H new ATOM 0 HB VAL A 89 9.382 -17.664 14.884 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.896 -15.626 16.246 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.902 -16.806 17.119 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.646 -15.350 16.416 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.019 -15.356 13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.780 -15.104 13.904 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.075 -16.366 12.866 1.00 0.00 H new ATOM 1419 N TYR A 90 12.287 -17.959 17.210 1.00 0.00 N ATOM 1420 CA TYR A 90 12.944 -18.709 18.283 1.00 0.00 C ATOM 1421 C TYR A 90 12.440 -18.289 19.677 1.00 0.00 C ATOM 1422 O TYR A 90 13.024 -18.689 20.689 1.00 0.00 O ATOM 1423 CB TYR A 90 14.469 -18.515 18.158 1.00 0.00 C ATOM 1424 CG TYR A 90 15.069 -18.924 16.819 1.00 0.00 C ATOM 1425 CD1 TYR A 90 15.166 -17.991 15.767 1.00 0.00 C ATOM 1426 CD2 TYR A 90 15.545 -20.235 16.632 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.720 -18.366 14.531 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.115 -20.618 15.402 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.203 -19.682 14.344 1.00 0.00 C ATOM 1430 OH TYR A 90 16.756 -20.030 13.148 1.00 0.00 O ATOM 0 H TYR A 90 12.255 -16.954 17.381 1.00 0.00 H new ATOM 0 HA TYR A 90 12.697 -19.765 18.177 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.701 -17.465 18.336 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.957 -19.087 18.947 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.812 -16.981 15.912 1.00 0.00 H new ATOM 0 HD2 TYR A 90 15.473 -20.952 17.436 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.777 -17.650 13.725 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.484 -21.624 15.267 1.00 0.00 H new ATOM 0 HH TYR A 90 17.040 -20.967 13.179 1.00 0.00 H new ATOM 1440 N SER A 91 11.362 -17.498 19.747 1.00 0.00 N ATOM 1441 CA SER A 91 10.814 -16.922 20.971 1.00 0.00 C ATOM 1442 C SER A 91 9.294 -16.935 20.852 1.00 0.00 C ATOM 1443 O SER A 91 8.786 -16.635 19.750 1.00 0.00 O ATOM 1444 CB SER A 91 11.323 -15.485 21.157 1.00 0.00 C ATOM 1445 OG SER A 91 12.745 -15.427 21.147 1.00 0.00 O ATOM 1446 OXT SER A 91 8.619 -17.266 21.847 1.00 0.00 O ATOM 0 H SER A 91 10.830 -17.234 18.917 1.00 0.00 H new ATOM 0 HA SER A 91 11.130 -17.502 21.838 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.927 -14.853 20.362 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.949 -15.085 22.099 1.00 0.00 H new ATOM 0 HG SER A 91 13.035 -14.499 21.266 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.836 -28.704 14.551 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.163 -29.958 14.197 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.244 -27.578 13.816 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.703 -28.469 15.998 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.269 -28.796 14.227 1.00 0.00 O