USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 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 8 ASN : amide:sc= 2.37 K(o=-1.8,f=-14!) USER MOD Set 1.2: A 13 ASN : amide:sc= -2.75! C(o=-1.8!,f=-11!) USER MOD Set 1.3: A 62 LYS NZ :NH3+ -151:sc= -1.39! (180deg=-1.24) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0187 (180deg=-0.201) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -54:sc= 0.572 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.01) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.654 K(o=-0.65,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.06 (180deg=-0.41) USER MOD Single : A 35 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 5:sc= 0.894 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0587 K(o=-0.059,f=-2!) USER MOD Single : A 48 TYR OH : rot -125:sc= 0.136 USER MOD Single : A 49 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.79) USER MOD Single : A 51 GLN : amide:sc= -0.709 K(o=-0.71,f=-1.5!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 59 TYR OH : rot -110:sc= 1.25 USER MOD Single : A 61 SER OG : rot 45:sc= 0.119 USER MOD Single : A 65 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=-0.0083) USER MOD Single : A 68 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.14) USER MOD Single : A 69 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.008) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.140 21.381 -10.101 1.00 33.32 N ATOM 2 CA MET A 1 -3.627 22.423 -11.031 1.00 62.13 C ATOM 3 C MET A 1 -3.680 21.885 -12.457 1.00 24.40 C ATOM 4 O MET A 1 -4.755 21.771 -13.045 1.00 53.55 O ATOM 5 CB MET A 1 -2.724 23.661 -10.975 1.00 62.33 C ATOM 6 CG MET A 1 -2.673 24.327 -9.610 1.00 32.15 C ATOM 7 SD MET A 1 -1.569 25.752 -9.574 1.00 42.23 S ATOM 8 CE MET A 1 -1.668 26.205 -7.843 1.00 12.11 C ATOM 0 H1 MET A 1 -3.316 21.681 -9.121 1.00 33.32 H new ATOM 0 H2 MET A 1 -3.642 20.489 -10.285 1.00 33.32 H new ATOM 0 H3 MET A 1 -2.119 21.239 -10.242 1.00 33.32 H new ATOM 0 HA MET A 1 -4.633 22.708 -10.724 1.00 62.13 H new ATOM 0 HB2 MET A 1 -1.713 23.375 -11.266 1.00 62.33 H new ATOM 0 HB3 MET A 1 -3.074 24.387 -11.709 1.00 62.33 H new ATOM 0 HG2 MET A 1 -3.677 24.643 -9.326 1.00 32.15 H new ATOM 0 HG3 MET A 1 -2.346 23.600 -8.867 1.00 32.15 H new ATOM 0 HE1 MET A 1 -1.037 27.074 -7.658 1.00 12.11 H new ATOM 0 HE2 MET A 1 -2.700 26.445 -7.588 1.00 12.11 H new ATOM 0 HE3 MET A 1 -1.327 25.372 -7.229 1.00 12.11 H new ATOM 20 N ILE A 2 -2.522 21.540 -13.005 1.00 45.30 N ATOM 21 CA ILE A 2 -2.434 21.075 -14.386 1.00 13.33 C ATOM 22 C ILE A 2 -1.496 19.876 -14.525 1.00 73.33 C ATOM 23 O ILE A 2 -1.077 19.530 -15.628 1.00 10.13 O ATOM 24 CB ILE A 2 -1.979 22.211 -15.338 1.00 24.13 C ATOM 25 CG1 ILE A 2 -0.908 23.103 -14.683 1.00 12.03 C ATOM 26 CG2 ILE A 2 -3.173 23.048 -15.776 1.00 31.24 C ATOM 27 CD1 ILE A 2 0.445 22.445 -14.528 1.00 73.33 C ATOM 0 H ILE A 2 -1.628 21.573 -12.514 1.00 45.30 H new ATOM 0 HA ILE A 2 -3.437 20.759 -14.672 1.00 13.33 H new ATOM 0 HB ILE A 2 -1.532 21.747 -16.217 1.00 24.13 H new ATOM 0 HG12 ILE A 2 -0.792 24.008 -15.280 1.00 12.03 H new ATOM 0 HG13 ILE A 2 -1.262 23.413 -13.700 1.00 12.03 H new ATOM 0 HG21 ILE A 2 -2.836 23.841 -16.444 1.00 31.24 H new ATOM 0 HG22 ILE A 2 -3.890 22.414 -16.298 1.00 31.24 H new ATOM 0 HG23 ILE A 2 -3.649 23.489 -14.900 1.00 31.24 H new ATOM 0 HD11 ILE A 2 1.138 23.144 -14.059 1.00 73.33 H new ATOM 0 HD12 ILE A 2 0.348 21.556 -13.905 1.00 73.33 H new ATOM 0 HD13 ILE A 2 0.826 22.161 -15.509 1.00 73.33 H new ATOM 39 N GLY A 3 -1.179 19.234 -13.409 1.00 43.54 N ATOM 40 CA GLY A 3 -0.269 18.104 -13.442 1.00 63.20 C ATOM 41 C GLY A 3 -0.985 16.772 -13.346 1.00 61.20 C ATOM 42 O GLY A 3 -0.402 15.725 -13.633 1.00 54.41 O ATOM 0 H GLY A 3 -1.534 19.474 -12.483 1.00 43.54 H new ATOM 0 HA2 GLY A 3 0.309 18.135 -14.366 1.00 63.20 H new ATOM 0 HA3 GLY A 3 0.441 18.190 -12.619 1.00 63.20 H new ATOM 46 N ASP A 4 -2.251 16.808 -12.954 1.00 42.11 N ATOM 47 CA ASP A 4 -3.039 15.588 -12.789 1.00 63.54 C ATOM 48 C ASP A 4 -3.564 15.105 -14.136 1.00 40.41 C ATOM 49 O ASP A 4 -4.496 15.687 -14.692 1.00 41.23 O ATOM 50 CB ASP A 4 -4.216 15.817 -11.829 1.00 23.43 C ATOM 51 CG ASP A 4 -3.774 16.122 -10.411 1.00 4.31 C ATOM 52 OD1 ASP A 4 -3.400 15.183 -9.680 1.00 41.50 O ATOM 53 OD2 ASP A 4 -3.819 17.305 -10.011 1.00 35.13 O ATOM 0 H ASP A 4 -2.757 17.668 -12.743 1.00 42.11 H new ATOM 0 HA ASP A 4 -2.386 14.826 -12.364 1.00 63.54 H new ATOM 0 HB2 ASP A 4 -4.824 16.642 -12.199 1.00 23.43 H new ATOM 0 HB3 ASP A 4 -4.851 14.931 -11.823 1.00 23.43 H new ATOM 58 N TYR A 5 -2.954 14.053 -14.664 1.00 60.23 N ATOM 59 CA TYR A 5 -3.390 13.463 -15.925 1.00 14.43 C ATOM 60 C TYR A 5 -3.758 11.999 -15.737 1.00 72.44 C ATOM 61 O TYR A 5 -3.014 11.248 -15.107 1.00 64.43 O ATOM 62 CB TYR A 5 -2.300 13.593 -16.994 1.00 54.01 C ATOM 63 CG TYR A 5 -2.307 14.922 -17.716 1.00 41.53 C ATOM 64 CD1 TYR A 5 -1.788 16.067 -17.126 1.00 41.53 C ATOM 65 CD2 TYR A 5 -2.831 15.026 -18.998 1.00 42.44 C ATOM 66 CE1 TYR A 5 -1.794 17.279 -17.791 1.00 72.01 C ATOM 67 CE2 TYR A 5 -2.839 16.233 -19.672 1.00 21.22 C ATOM 68 CZ TYR A 5 -2.319 17.356 -19.064 1.00 12.50 C ATOM 69 OH TYR A 5 -2.331 18.562 -19.733 1.00 51.33 O ATOM 0 H TYR A 5 -2.152 13.588 -14.238 1.00 60.23 H new ATOM 0 HA TYR A 5 -4.274 14.007 -16.259 1.00 14.43 H new ATOM 0 HB2 TYR A 5 -1.326 13.450 -16.526 1.00 54.01 H new ATOM 0 HB3 TYR A 5 -2.423 12.793 -17.724 1.00 54.01 H new ATOM 0 HD1 TYR A 5 -1.373 16.010 -16.131 1.00 41.53 H new ATOM 0 HD2 TYR A 5 -3.239 14.148 -19.477 1.00 42.44 H new ATOM 0 HE1 TYR A 5 -1.390 18.161 -17.316 1.00 72.01 H new ATOM 0 HE2 TYR A 5 -3.250 16.296 -20.669 1.00 21.22 H new ATOM 0 HH TYR A 5 -2.734 18.441 -20.618 1.00 51.33 H new ATOM 79 N TYR A 6 -4.907 11.608 -16.291 1.00 53.21 N ATOM 80 CA TYR A 6 -5.408 10.234 -16.192 1.00 22.15 C ATOM 81 C TYR A 6 -5.548 9.807 -14.734 1.00 13.32 C ATOM 82 O TYR A 6 -4.642 9.206 -14.154 1.00 33.04 O ATOM 83 CB TYR A 6 -4.501 9.262 -16.955 1.00 75.33 C ATOM 84 CG TYR A 6 -4.427 9.543 -18.437 1.00 2.43 C ATOM 85 CD1 TYR A 6 -5.422 9.098 -19.296 1.00 71.20 C ATOM 86 CD2 TYR A 6 -3.366 10.259 -18.979 1.00 2.14 C ATOM 87 CE1 TYR A 6 -5.362 9.354 -20.651 1.00 51.50 C ATOM 88 CE2 TYR A 6 -3.299 10.519 -20.332 1.00 12.23 C ATOM 89 CZ TYR A 6 -4.299 10.066 -21.164 1.00 62.32 C ATOM 90 OH TYR A 6 -4.240 10.328 -22.513 1.00 72.14 O ATOM 0 H TYR A 6 -5.516 12.232 -16.820 1.00 53.21 H new ATOM 0 HA TYR A 6 -6.397 10.207 -16.650 1.00 22.15 H new ATOM 0 HB2 TYR A 6 -3.497 9.309 -16.534 1.00 75.33 H new ATOM 0 HB3 TYR A 6 -4.863 8.245 -16.804 1.00 75.33 H new ATOM 0 HD1 TYR A 6 -6.258 8.542 -18.897 1.00 71.20 H new ATOM 0 HD2 TYR A 6 -2.581 10.618 -18.330 1.00 2.14 H new ATOM 0 HE1 TYR A 6 -6.144 8.998 -21.306 1.00 51.50 H new ATOM 0 HE2 TYR A 6 -2.466 11.075 -20.737 1.00 12.23 H new ATOM 0 HH TYR A 6 -3.429 10.840 -22.712 1.00 72.14 H new ATOM 100 N ILE A 7 -6.693 10.119 -14.148 1.00 44.43 N ATOM 101 CA ILE A 7 -6.892 9.922 -12.723 1.00 42.51 C ATOM 102 C ILE A 7 -7.272 8.480 -12.398 1.00 23.33 C ATOM 103 O ILE A 7 -8.452 8.122 -12.405 1.00 11.22 O ATOM 104 CB ILE A 7 -7.968 10.878 -12.158 1.00 71.30 C ATOM 105 CG1 ILE A 7 -7.642 12.333 -12.517 1.00 25.21 C ATOM 106 CG2 ILE A 7 -8.086 10.721 -10.648 1.00 31.44 C ATOM 107 CD1 ILE A 7 -6.303 12.810 -11.995 1.00 41.21 C ATOM 0 H ILE A 7 -7.498 10.510 -14.638 1.00 44.43 H new ATOM 0 HA ILE A 7 -5.938 10.148 -12.247 1.00 42.51 H new ATOM 0 HB ILE A 7 -8.925 10.616 -12.610 1.00 71.30 H new ATOM 0 HG12 ILE A 7 -7.657 12.441 -13.602 1.00 25.21 H new ATOM 0 HG13 ILE A 7 -8.426 12.979 -12.121 1.00 25.21 H new ATOM 0 HG21 ILE A 7 -8.848 11.402 -10.270 1.00 31.44 H new ATOM 0 HG22 ILE A 7 -8.366 9.695 -10.410 1.00 31.44 H new ATOM 0 HG23 ILE A 7 -7.128 10.953 -10.182 1.00 31.44 H new ATOM 0 HD11 ILE A 7 -6.146 13.847 -12.290 1.00 41.21 H new ATOM 0 HD12 ILE A 7 -6.289 12.736 -10.908 1.00 41.21 H new ATOM 0 HD13 ILE A 7 -5.509 12.190 -12.411 1.00 41.21 H new ATOM 119 N ASN A 8 -6.248 7.659 -12.164 1.00 62.41 N ATOM 120 CA ASN A 8 -6.403 6.323 -11.582 1.00 1.51 C ATOM 121 C ASN A 8 -6.992 5.303 -12.558 1.00 52.11 C ATOM 122 O ASN A 8 -6.325 4.330 -12.919 1.00 32.53 O ATOM 123 CB ASN A 8 -7.276 6.395 -10.331 1.00 74.21 C ATOM 124 CG ASN A 8 -6.919 5.329 -9.327 1.00 5.44 C ATOM 125 OD1 ASN A 8 -6.096 5.563 -8.449 1.00 33.34 O ATOM 126 ND2 ASN A 8 -7.526 4.161 -9.442 1.00 70.55 N ATOM 0 H ASN A 8 -5.280 7.903 -12.374 1.00 62.41 H new ATOM 0 HA ASN A 8 -5.401 5.979 -11.327 1.00 1.51 H new ATOM 0 HB2 ASN A 8 -7.168 7.377 -9.870 1.00 74.21 H new ATOM 0 HB3 ASN A 8 -8.323 6.289 -10.614 1.00 74.21 H new ATOM 0 HD21 ASN A 8 -7.316 3.410 -8.784 1.00 70.55 H new ATOM 0 HD22 ASN A 8 -8.205 4.010 -10.188 1.00 70.55 H new ATOM 133 N ALA A 9 -8.242 5.531 -12.969 1.00 40.12 N ATOM 134 CA ALA A 9 -9.002 4.561 -13.759 1.00 3.32 C ATOM 135 C ALA A 9 -9.178 3.262 -12.969 1.00 2.24 C ATOM 136 O ALA A 9 -8.994 3.243 -11.749 1.00 11.14 O ATOM 137 CB ALA A 9 -8.330 4.302 -15.104 1.00 71.34 C ATOM 0 H ALA A 9 -8.753 6.390 -12.764 1.00 40.12 H new ATOM 0 HA ALA A 9 -9.989 4.977 -13.963 1.00 3.32 H new ATOM 0 HB1 ALA A 9 -8.916 3.578 -15.670 1.00 71.34 H new ATOM 0 HB2 ALA A 9 -8.266 5.235 -15.665 1.00 71.34 H new ATOM 0 HB3 ALA A 9 -7.327 3.908 -14.940 1.00 71.34 H new ATOM 143 N SER A 10 -9.549 2.186 -13.647 1.00 22.31 N ATOM 144 CA SER A 10 -9.704 0.898 -12.984 1.00 1.35 C ATOM 145 C SER A 10 -8.452 0.039 -13.170 1.00 52.25 C ATOM 146 O SER A 10 -8.481 -1.176 -12.969 1.00 45.31 O ATOM 147 CB SER A 10 -10.942 0.173 -13.523 1.00 51.11 C ATOM 148 OG SER A 10 -10.928 0.112 -14.941 1.00 72.40 O ATOM 0 H SER A 10 -9.747 2.177 -14.648 1.00 22.31 H new ATOM 0 HA SER A 10 -9.839 1.071 -11.916 1.00 1.35 H new ATOM 0 HB2 SER A 10 -10.982 -0.837 -13.114 1.00 51.11 H new ATOM 0 HB3 SER A 10 -11.842 0.688 -13.188 1.00 51.11 H new ATOM 0 HG SER A 10 -11.729 -0.357 -15.256 1.00 72.40 H new ATOM 154 N ALA A 11 -7.344 0.679 -13.527 1.00 65.23 N ATOM 155 CA ALA A 11 -6.104 -0.039 -13.783 1.00 12.13 C ATOM 156 C ALA A 11 -5.140 0.060 -12.600 1.00 55.34 C ATOM 157 O ALA A 11 -5.099 -0.829 -11.748 1.00 64.20 O ATOM 158 CB ALA A 11 -5.449 0.468 -15.061 1.00 33.23 C ATOM 0 H ALA A 11 -7.280 1.690 -13.645 1.00 65.23 H new ATOM 0 HA ALA A 11 -6.351 -1.093 -13.913 1.00 12.13 H new ATOM 0 HB1 ALA A 11 -4.523 -0.080 -15.237 1.00 33.23 H new ATOM 0 HB2 ALA A 11 -6.126 0.316 -15.902 1.00 33.23 H new ATOM 0 HB3 ALA A 11 -5.228 1.531 -14.960 1.00 33.23 H new ATOM 164 N LEU A 12 -4.393 1.156 -12.527 1.00 64.42 N ATOM 165 CA LEU A 12 -3.363 1.312 -11.505 1.00 0.24 C ATOM 166 C LEU A 12 -3.986 1.643 -10.156 1.00 74.44 C ATOM 167 O LEU A 12 -4.254 2.802 -9.850 1.00 62.50 O ATOM 168 CB LEU A 12 -2.354 2.401 -11.888 1.00 31.14 C ATOM 169 CG LEU A 12 -1.548 2.151 -13.170 1.00 11.41 C ATOM 170 CD1 LEU A 12 -2.372 2.479 -14.407 1.00 31.21 C ATOM 171 CD2 LEU A 12 -0.262 2.964 -13.157 1.00 22.04 C ATOM 0 H LEU A 12 -4.481 1.949 -13.162 1.00 64.42 H new ATOM 0 HA LEU A 12 -2.834 0.362 -11.431 1.00 0.24 H new ATOM 0 HB2 LEU A 12 -2.891 3.343 -11.998 1.00 31.14 H new ATOM 0 HB3 LEU A 12 -1.655 2.527 -11.062 1.00 31.14 H new ATOM 0 HG LEU A 12 -1.291 1.092 -13.206 1.00 11.41 H new ATOM 0 HD11 LEU A 12 -1.776 2.293 -15.301 1.00 31.21 H new ATOM 0 HD12 LEU A 12 -3.263 1.852 -14.427 1.00 31.21 H new ATOM 0 HD13 LEU A 12 -2.667 3.528 -14.380 1.00 31.21 H new ATOM 0 HD21 LEU A 12 0.297 2.775 -14.073 1.00 22.04 H new ATOM 0 HD22 LEU A 12 -0.503 4.025 -13.091 1.00 22.04 H new ATOM 0 HD23 LEU A 12 0.342 2.675 -12.297 1.00 22.04 H new ATOM 183 N ASN A 13 -4.244 0.614 -9.362 1.00 30.32 N ATOM 184 CA ASN A 13 -4.871 0.803 -8.060 1.00 5.43 C ATOM 185 C ASN A 13 -3.963 0.354 -6.920 1.00 33.02 C ATOM 186 O ASN A 13 -3.620 1.140 -6.042 1.00 2.14 O ATOM 187 CB ASN A 13 -6.199 0.047 -7.991 1.00 73.23 C ATOM 188 CG ASN A 13 -7.312 0.746 -8.753 1.00 44.42 C ATOM 189 OD1 ASN A 13 -8.069 1.536 -8.186 1.00 15.13 O ATOM 190 ND2 ASN A 13 -7.421 0.464 -10.041 1.00 73.33 N ATOM 0 H ASN A 13 -4.031 -0.356 -9.594 1.00 30.32 H new ATOM 0 HA ASN A 13 -5.054 1.871 -7.943 1.00 5.43 H new ATOM 0 HB2 ASN A 13 -6.063 -0.956 -8.395 1.00 73.23 H new ATOM 0 HB3 ASN A 13 -6.494 -0.066 -6.948 1.00 73.23 H new ATOM 0 HD21 ASN A 13 -8.151 0.906 -10.600 1.00 73.33 H new ATOM 0 HD22 ASN A 13 -6.775 -0.196 -10.475 1.00 73.33 H new ATOM 197 N VAL A 14 -3.564 -0.908 -6.943 1.00 2.44 N ATOM 198 CA VAL A 14 -2.786 -1.475 -5.848 1.00 10.14 C ATOM 199 C VAL A 14 -1.444 -1.995 -6.364 1.00 52.24 C ATOM 200 O VAL A 14 -0.925 -3.010 -5.896 1.00 72.43 O ATOM 201 CB VAL A 14 -3.549 -2.626 -5.150 1.00 53.34 C ATOM 202 CG1 VAL A 14 -2.990 -2.875 -3.758 1.00 32.24 C ATOM 203 CG2 VAL A 14 -5.039 -2.336 -5.079 1.00 24.21 C ATOM 0 H VAL A 14 -3.764 -1.558 -7.703 1.00 2.44 H new ATOM 0 HA VAL A 14 -2.616 -0.681 -5.120 1.00 10.14 H new ATOM 0 HB VAL A 14 -3.409 -3.527 -5.747 1.00 53.34 H new ATOM 0 HG11 VAL A 14 -3.541 -3.688 -3.285 1.00 32.24 H new ATOM 0 HG12 VAL A 14 -1.937 -3.145 -3.832 1.00 32.24 H new ATOM 0 HG13 VAL A 14 -3.092 -1.971 -3.158 1.00 32.24 H new ATOM 0 HG21 VAL A 14 -5.547 -3.163 -4.583 1.00 24.21 H new ATOM 0 HG22 VAL A 14 -5.205 -1.418 -4.515 1.00 24.21 H new ATOM 0 HG23 VAL A 14 -5.435 -2.219 -6.088 1.00 24.21 H new ATOM 213 N ARG A 15 -0.866 -1.273 -7.315 1.00 25.43 N ATOM 214 CA ARG A 15 0.382 -1.689 -7.962 1.00 43.41 C ATOM 215 C ARG A 15 1.595 -1.466 -7.057 1.00 12.11 C ATOM 216 O ARG A 15 2.693 -1.211 -7.545 1.00 75.43 O ATOM 217 CB ARG A 15 0.563 -0.920 -9.278 1.00 43.25 C ATOM 218 CG ARG A 15 -0.356 -1.393 -10.393 1.00 72.35 C ATOM 219 CD ARG A 15 0.077 -2.745 -10.936 1.00 41.15 C ATOM 220 NE ARG A 15 1.338 -2.663 -11.673 1.00 11.44 N ATOM 221 CZ ARG A 15 1.904 -3.697 -12.299 1.00 10.22 C ATOM 222 NH1 ARG A 15 1.319 -4.892 -12.285 1.00 14.44 N ATOM 223 NH2 ARG A 15 3.048 -3.537 -12.953 1.00 12.23 N ATOM 0 H ARG A 15 -1.241 -0.390 -7.661 1.00 25.43 H new ATOM 0 HA ARG A 15 0.314 -2.758 -8.164 1.00 43.41 H new ATOM 0 HB2 ARG A 15 0.384 0.140 -9.097 1.00 43.25 H new ATOM 0 HB3 ARG A 15 1.598 -1.017 -9.606 1.00 43.25 H new ATOM 0 HG2 ARG A 15 -1.378 -1.460 -10.020 1.00 72.35 H new ATOM 0 HG3 ARG A 15 -0.359 -0.660 -11.199 1.00 72.35 H new ATOM 0 HD2 ARG A 15 0.185 -3.449 -10.111 1.00 41.15 H new ATOM 0 HD3 ARG A 15 -0.700 -3.138 -11.591 1.00 41.15 H new ATOM 0 HE ARG A 15 1.813 -1.761 -11.711 1.00 11.44 H new ATOM 0 HH11 ARG A 15 0.434 -5.021 -11.794 1.00 14.44 H new ATOM 0 HH12 ARG A 15 1.755 -5.679 -12.765 1.00 14.44 H new ATOM 0 HH21 ARG A 15 3.497 -2.622 -12.978 1.00 12.23 H new ATOM 0 HH22 ARG A 15 3.478 -4.329 -13.430 1.00 12.23 H new ATOM 237 N SER A 16 1.394 -1.607 -5.746 1.00 25.21 N ATOM 238 CA SER A 16 2.446 -1.375 -4.763 1.00 50.33 C ATOM 239 C SER A 16 2.930 0.070 -4.854 1.00 60.32 C ATOM 240 O SER A 16 4.116 0.367 -4.693 1.00 43.31 O ATOM 241 CB SER A 16 3.598 -2.365 -4.973 1.00 33.21 C ATOM 242 OG SER A 16 4.595 -2.220 -3.977 1.00 14.32 O ATOM 0 H SER A 16 0.500 -1.884 -5.340 1.00 25.21 H new ATOM 0 HA SER A 16 2.047 -1.538 -3.762 1.00 50.33 H new ATOM 0 HB2 SER A 16 3.211 -3.384 -4.956 1.00 33.21 H new ATOM 0 HB3 SER A 16 4.040 -2.208 -5.957 1.00 33.21 H new ATOM 0 HG SER A 16 4.892 -1.287 -3.945 1.00 14.32 H new ATOM 248 N GLY A 17 1.984 0.968 -5.101 1.00 23.25 N ATOM 249 CA GLY A 17 2.305 2.366 -5.269 1.00 71.41 C ATOM 250 C GLY A 17 2.586 2.696 -6.715 1.00 43.44 C ATOM 251 O GLY A 17 1.919 3.540 -7.311 1.00 5.20 O ATOM 0 H GLY A 17 0.992 0.746 -5.188 1.00 23.25 H new ATOM 0 HA2 GLY A 17 1.477 2.977 -4.909 1.00 71.41 H new ATOM 0 HA3 GLY A 17 3.174 2.617 -4.661 1.00 71.41 H new ATOM 255 N GLU A 18 3.566 2.007 -7.275 1.00 14.20 N ATOM 256 CA GLU A 18 3.948 2.184 -8.662 1.00 74.34 C ATOM 257 C GLU A 18 4.753 0.967 -9.100 1.00 74.21 C ATOM 258 O GLU A 18 5.163 0.162 -8.259 1.00 62.50 O ATOM 259 CB GLU A 18 4.770 3.472 -8.820 1.00 35.14 C ATOM 260 CG GLU A 18 4.391 4.316 -10.032 1.00 44.42 C ATOM 261 CD GLU A 18 4.856 3.720 -11.345 1.00 0.12 C ATOM 262 OE1 GLU A 18 4.127 2.889 -11.929 1.00 2.54 O ATOM 263 OE2 GLU A 18 5.960 4.080 -11.801 1.00 63.34 O ATOM 0 H GLU A 18 4.119 1.308 -6.778 1.00 14.20 H new ATOM 0 HA GLU A 18 3.062 2.275 -9.290 1.00 74.34 H new ATOM 0 HB2 GLU A 18 4.652 4.076 -7.921 1.00 35.14 H new ATOM 0 HB3 GLU A 18 5.825 3.209 -8.891 1.00 35.14 H new ATOM 0 HG2 GLU A 18 3.308 4.436 -10.058 1.00 44.42 H new ATOM 0 HG3 GLU A 18 4.819 5.312 -9.921 1.00 44.42 H new ATOM 270 N GLY A 19 4.995 0.839 -10.396 1.00 51.23 N ATOM 271 CA GLY A 19 5.714 -0.308 -10.921 1.00 75.22 C ATOM 272 C GLY A 19 7.202 -0.277 -10.621 1.00 13.02 C ATOM 273 O GLY A 19 8.017 -0.679 -11.451 1.00 31.41 O ATOM 0 H GLY A 19 4.704 1.516 -11.102 1.00 51.23 H new ATOM 0 HA2 GLY A 19 5.286 -1.219 -10.502 1.00 75.22 H new ATOM 0 HA3 GLY A 19 5.570 -0.355 -12.000 1.00 75.22 H new ATOM 277 N THR A 20 7.558 0.208 -9.442 1.00 44.20 N ATOM 278 CA THR A 20 8.938 0.190 -8.993 1.00 74.43 C ATOM 279 C THR A 20 9.206 -1.109 -8.232 1.00 71.54 C ATOM 280 O THR A 20 10.297 -1.670 -8.293 1.00 41.12 O ATOM 281 CB THR A 20 9.242 1.398 -8.083 1.00 43.15 C ATOM 282 OG1 THR A 20 8.824 2.614 -8.721 1.00 25.23 O ATOM 283 CG2 THR A 20 10.728 1.482 -7.752 1.00 13.35 C ATOM 0 H THR A 20 6.905 0.621 -8.776 1.00 44.20 H new ATOM 0 HA THR A 20 9.587 0.251 -9.866 1.00 74.43 H new ATOM 0 HB THR A 20 8.689 1.262 -7.154 1.00 43.15 H new ATOM 0 HG1 THR A 20 9.020 3.375 -8.135 1.00 25.23 H new ATOM 0 HG21 THR A 20 10.910 2.344 -7.109 1.00 13.35 H new ATOM 0 HG22 THR A 20 11.038 0.573 -7.236 1.00 13.35 H new ATOM 0 HG23 THR A 20 11.300 1.590 -8.673 1.00 13.35 H new ATOM 291 N ASN A 21 8.186 -1.582 -7.525 1.00 34.50 N ATOM 292 CA ASN A 21 8.276 -2.829 -6.779 1.00 63.25 C ATOM 293 C ASN A 21 6.934 -3.553 -6.879 1.00 34.21 C ATOM 294 O ASN A 21 6.339 -3.958 -5.884 1.00 30.40 O ATOM 295 CB ASN A 21 8.647 -2.549 -5.316 1.00 40.40 C ATOM 296 CG ASN A 21 9.281 -3.747 -4.634 1.00 72.22 C ATOM 297 OD1 ASN A 21 10.497 -3.936 -4.690 1.00 44.43 O ATOM 298 ND2 ASN A 21 8.469 -4.558 -3.976 1.00 23.04 N ATOM 0 H ASN A 21 7.282 -1.116 -7.454 1.00 34.50 H new ATOM 0 HA ASN A 21 9.058 -3.462 -7.199 1.00 63.25 H new ATOM 0 HB2 ASN A 21 9.336 -1.706 -5.275 1.00 40.40 H new ATOM 0 HB3 ASN A 21 7.752 -2.256 -4.768 1.00 40.40 H new ATOM 0 HD21 ASN A 21 8.845 -5.373 -3.492 1.00 23.04 H new ATOM 0 HD22 ASN A 21 7.467 -4.368 -3.953 1.00 23.04 H new ATOM 305 N TYR A 22 6.488 -3.717 -8.120 1.00 61.41 N ATOM 306 CA TYR A 22 5.153 -4.236 -8.448 1.00 13.25 C ATOM 307 C TYR A 22 4.920 -5.672 -7.960 1.00 21.25 C ATOM 308 O TYR A 22 3.811 -6.190 -8.055 1.00 53.43 O ATOM 309 CB TYR A 22 4.964 -4.184 -9.967 1.00 63.24 C ATOM 310 CG TYR A 22 6.027 -4.953 -10.730 1.00 20.45 C ATOM 311 CD1 TYR A 22 7.261 -4.376 -11.019 1.00 52.52 C ATOM 312 CD2 TYR A 22 5.807 -6.261 -11.145 1.00 73.10 C ATOM 313 CE1 TYR A 22 8.238 -5.077 -11.701 1.00 44.11 C ATOM 314 CE2 TYR A 22 6.782 -6.970 -11.824 1.00 72.44 C ATOM 315 CZ TYR A 22 7.996 -6.373 -12.099 1.00 23.31 C ATOM 316 OH TYR A 22 8.971 -7.078 -12.770 1.00 45.24 O ATOM 0 H TYR A 22 7.047 -3.492 -8.943 1.00 61.41 H new ATOM 0 HA TYR A 22 4.427 -3.607 -7.932 1.00 13.25 H new ATOM 0 HB2 TYR A 22 3.983 -4.587 -10.218 1.00 63.24 H new ATOM 0 HB3 TYR A 22 4.974 -3.144 -10.292 1.00 63.24 H new ATOM 0 HD1 TYR A 22 7.458 -3.362 -10.704 1.00 52.52 H new ATOM 0 HD2 TYR A 22 4.858 -6.732 -10.934 1.00 73.10 H new ATOM 0 HE1 TYR A 22 9.187 -4.610 -11.921 1.00 44.11 H new ATOM 0 HE2 TYR A 22 6.594 -7.986 -12.138 1.00 72.44 H new ATOM 0 HH TYR A 22 8.640 -7.977 -12.978 1.00 45.24 H new ATOM 326 N ARG A 23 5.959 -6.303 -7.436 1.00 74.44 N ATOM 327 CA ARG A 23 5.896 -7.712 -7.054 1.00 3.02 C ATOM 328 C ARG A 23 5.051 -7.933 -5.800 1.00 60.14 C ATOM 329 O ARG A 23 4.725 -9.070 -5.458 1.00 52.11 O ATOM 330 CB ARG A 23 7.305 -8.246 -6.807 1.00 73.45 C ATOM 331 CG ARG A 23 7.654 -9.461 -7.645 1.00 45.45 C ATOM 332 CD ARG A 23 6.604 -10.555 -7.523 1.00 74.00 C ATOM 333 NE ARG A 23 7.000 -11.768 -8.227 1.00 21.51 N ATOM 334 CZ ARG A 23 6.341 -12.287 -9.263 1.00 12.44 C ATOM 335 NH1 ARG A 23 5.226 -11.720 -9.704 1.00 33.11 N ATOM 336 NH2 ARG A 23 6.789 -13.389 -9.844 1.00 54.45 N ATOM 0 H ARG A 23 6.862 -5.862 -7.263 1.00 74.44 H new ATOM 0 HA ARG A 23 5.424 -8.249 -7.877 1.00 3.02 H new ATOM 0 HB2 ARG A 23 8.025 -7.454 -7.014 1.00 73.45 H new ATOM 0 HB3 ARG A 23 7.407 -8.502 -5.752 1.00 73.45 H new ATOM 0 HG2 ARG A 23 7.751 -9.166 -8.690 1.00 45.45 H new ATOM 0 HG3 ARG A 23 8.623 -9.851 -7.333 1.00 45.45 H new ATOM 0 HD2 ARG A 23 6.438 -10.784 -6.470 1.00 74.00 H new ATOM 0 HD3 ARG A 23 5.656 -10.195 -7.924 1.00 74.00 H new ATOM 0 HE ARG A 23 7.838 -12.253 -7.905 1.00 21.51 H new ATOM 0 HH11 ARG A 23 4.867 -10.880 -9.250 1.00 33.11 H new ATOM 0 HH12 ARG A 23 4.728 -12.124 -10.497 1.00 33.11 H new ATOM 0 HH21 ARG A 23 7.637 -13.839 -9.499 1.00 54.45 H new ATOM 0 HH22 ARG A 23 6.286 -13.788 -10.637 1.00 54.45 H new ATOM 350 N ILE A 24 4.715 -6.856 -5.112 1.00 60.43 N ATOM 351 CA ILE A 24 3.985 -6.957 -3.853 1.00 14.34 C ATOM 352 C ILE A 24 2.532 -7.402 -4.057 1.00 72.15 C ATOM 353 O ILE A 24 2.106 -8.403 -3.478 1.00 12.12 O ATOM 354 CB ILE A 24 4.015 -5.627 -3.070 1.00 1.23 C ATOM 355 CG1 ILE A 24 5.457 -5.242 -2.728 1.00 42.34 C ATOM 356 CG2 ILE A 24 3.186 -5.736 -1.798 1.00 70.21 C ATOM 357 CD1 ILE A 24 6.178 -6.263 -1.865 1.00 41.41 C ATOM 0 H ILE A 24 4.934 -5.902 -5.400 1.00 60.43 H new ATOM 0 HA ILE A 24 4.496 -7.722 -3.269 1.00 14.34 H new ATOM 0 HB ILE A 24 3.584 -4.849 -3.700 1.00 1.23 H new ATOM 0 HG12 ILE A 24 6.015 -5.104 -3.654 1.00 42.34 H new ATOM 0 HG13 ILE A 24 5.454 -4.282 -2.212 1.00 42.34 H new ATOM 0 HG21 ILE A 24 3.219 -4.789 -1.260 1.00 70.21 H new ATOM 0 HG22 ILE A 24 2.153 -5.971 -2.056 1.00 70.21 H new ATOM 0 HG23 ILE A 24 3.591 -6.527 -1.166 1.00 70.21 H new ATOM 0 HD11 ILE A 24 7.193 -5.919 -1.666 1.00 41.41 H new ATOM 0 HD12 ILE A 24 5.644 -6.384 -0.922 1.00 41.41 H new ATOM 0 HD13 ILE A 24 6.215 -7.219 -2.387 1.00 41.41 H new ATOM 369 N ILE A 25 1.775 -6.676 -4.879 1.00 3.44 N ATOM 370 CA ILE A 25 0.360 -6.996 -5.083 1.00 32.30 C ATOM 371 C ILE A 25 -0.015 -6.928 -6.562 1.00 51.23 C ATOM 372 O ILE A 25 -0.018 -7.944 -7.252 1.00 75.54 O ATOM 373 CB ILE A 25 -0.574 -6.071 -4.258 1.00 3.42 C ATOM 374 CG1 ILE A 25 -0.190 -6.112 -2.778 1.00 25.42 C ATOM 375 CG2 ILE A 25 -2.024 -6.487 -4.438 1.00 12.53 C ATOM 376 CD1 ILE A 25 -0.557 -4.853 -2.026 1.00 72.24 C ATOM 0 H ILE A 25 2.111 -5.872 -5.409 1.00 3.44 H new ATOM 0 HA ILE A 25 0.219 -8.017 -4.729 1.00 32.30 H new ATOM 0 HB ILE A 25 -0.458 -5.049 -4.620 1.00 3.42 H new ATOM 0 HG12 ILE A 25 -0.681 -6.964 -2.307 1.00 25.42 H new ATOM 0 HG13 ILE A 25 0.884 -6.276 -2.694 1.00 25.42 H new ATOM 0 HG21 ILE A 25 -2.667 -5.829 -3.853 1.00 12.53 H new ATOM 0 HG22 ILE A 25 -2.295 -6.416 -5.491 1.00 12.53 H new ATOM 0 HG23 ILE A 25 -2.152 -7.515 -4.099 1.00 12.53 H new ATOM 0 HD11 ILE A 25 -0.256 -4.951 -0.983 1.00 72.24 H new ATOM 0 HD12 ILE A 25 -0.045 -4.000 -2.473 1.00 72.24 H new ATOM 0 HD13 ILE A 25 -1.635 -4.698 -2.079 1.00 72.24 H new ATOM 388 N GLY A 26 -0.321 -5.731 -7.052 1.00 12.33 N ATOM 389 CA GLY A 26 -0.673 -5.574 -8.451 1.00 2.35 C ATOM 390 C GLY A 26 -2.019 -4.899 -8.638 1.00 13.13 C ATOM 391 O GLY A 26 -2.597 -4.378 -7.685 1.00 30.45 O ATOM 0 H GLY A 26 -0.332 -4.869 -6.507 1.00 12.33 H new ATOM 0 HA2 GLY A 26 0.097 -4.988 -8.953 1.00 2.35 H new ATOM 0 HA3 GLY A 26 -0.691 -6.553 -8.930 1.00 2.35 H new ATOM 395 N ALA A 27 -2.529 -4.907 -9.861 1.00 10.32 N ATOM 396 CA ALA A 27 -3.796 -4.250 -10.152 1.00 21.42 C ATOM 397 C ALA A 27 -4.969 -5.174 -9.832 1.00 31.04 C ATOM 398 O ALA A 27 -5.379 -5.988 -10.661 1.00 20.11 O ATOM 399 CB ALA A 27 -3.843 -3.809 -11.609 1.00 11.45 C ATOM 0 H ALA A 27 -2.089 -5.358 -10.663 1.00 10.32 H new ATOM 0 HA ALA A 27 -3.878 -3.365 -9.520 1.00 21.42 H new ATOM 0 HB1 ALA A 27 -4.796 -3.320 -11.811 1.00 11.45 H new ATOM 0 HB2 ALA A 27 -3.029 -3.111 -11.804 1.00 11.45 H new ATOM 0 HB3 ALA A 27 -3.738 -4.680 -12.256 1.00 11.45 H new ATOM 405 N LEU A 28 -5.480 -5.053 -8.612 1.00 62.35 N ATOM 406 CA LEU A 28 -6.654 -5.798 -8.171 1.00 73.10 C ATOM 407 C LEU A 28 -7.296 -5.091 -6.980 1.00 73.22 C ATOM 408 O LEU A 28 -6.939 -5.334 -5.828 1.00 24.01 O ATOM 409 CB LEU A 28 -6.327 -7.264 -7.822 1.00 42.32 C ATOM 410 CG LEU A 28 -5.204 -7.494 -6.800 1.00 60.21 C ATOM 411 CD1 LEU A 28 -5.462 -8.769 -6.012 1.00 54.12 C ATOM 412 CD2 LEU A 28 -3.854 -7.582 -7.498 1.00 30.13 C ATOM 0 H LEU A 28 -5.092 -4.435 -7.900 1.00 62.35 H new ATOM 0 HA LEU A 28 -7.358 -5.825 -9.003 1.00 73.10 H new ATOM 0 HB2 LEU A 28 -7.234 -7.734 -7.443 1.00 42.32 H new ATOM 0 HB3 LEU A 28 -6.061 -7.782 -8.743 1.00 42.32 H new ATOM 0 HG LEU A 28 -5.188 -6.648 -6.113 1.00 60.21 H new ATOM 0 HD11 LEU A 28 -4.658 -8.920 -5.291 1.00 54.12 H new ATOM 0 HD12 LEU A 28 -6.412 -8.685 -5.484 1.00 54.12 H new ATOM 0 HD13 LEU A 28 -5.501 -9.617 -6.695 1.00 54.12 H new ATOM 0 HD21 LEU A 28 -3.071 -7.745 -6.757 1.00 30.13 H new ATOM 0 HD22 LEU A 28 -3.863 -8.412 -8.205 1.00 30.13 H new ATOM 0 HD23 LEU A 28 -3.660 -6.652 -8.033 1.00 30.13 H new ATOM 424 N PRO A 29 -8.202 -4.142 -7.252 1.00 2.21 N ATOM 425 CA PRO A 29 -8.870 -3.358 -6.214 1.00 32.33 C ATOM 426 C PRO A 29 -9.922 -4.167 -5.458 1.00 65.21 C ATOM 427 O PRO A 29 -11.124 -3.983 -5.663 1.00 73.00 O ATOM 428 CB PRO A 29 -9.535 -2.204 -6.983 1.00 13.15 C ATOM 429 CG PRO A 29 -9.061 -2.324 -8.396 1.00 0.53 C ATOM 430 CD PRO A 29 -8.656 -3.756 -8.590 1.00 5.13 C ATOM 0 HA PRO A 29 -8.164 -3.023 -5.454 1.00 32.33 H new ATOM 0 HB2 PRO A 29 -10.621 -2.274 -6.929 1.00 13.15 H new ATOM 0 HB3 PRO A 29 -9.256 -1.240 -6.558 1.00 13.15 H new ATOM 0 HG2 PRO A 29 -9.850 -2.046 -9.095 1.00 0.53 H new ATOM 0 HG3 PRO A 29 -8.221 -1.655 -8.581 1.00 0.53 H new ATOM 0 HD2 PRO A 29 -9.490 -4.371 -8.929 1.00 5.13 H new ATOM 0 HD3 PRO A 29 -7.864 -3.857 -9.332 1.00 5.13 H new ATOM 438 N GLN A 30 -9.457 -5.081 -4.615 1.00 74.35 N ATOM 439 CA GLN A 30 -10.334 -5.860 -3.751 1.00 72.31 C ATOM 440 C GLN A 30 -9.521 -6.612 -2.707 1.00 44.43 C ATOM 441 O GLN A 30 -8.954 -7.669 -2.980 1.00 4.42 O ATOM 442 CB GLN A 30 -11.189 -6.839 -4.564 1.00 73.04 C ATOM 443 CG GLN A 30 -12.102 -7.708 -3.711 1.00 63.44 C ATOM 444 CD GLN A 30 -13.108 -8.482 -4.537 1.00 32.41 C ATOM 445 OE1 GLN A 30 -12.838 -9.589 -5.001 1.00 34.13 O ATOM 446 NE2 GLN A 30 -14.280 -7.905 -4.727 1.00 63.40 N ATOM 0 H GLN A 30 -8.467 -5.302 -4.512 1.00 74.35 H new ATOM 0 HA GLN A 30 -11.005 -5.167 -3.244 1.00 72.31 H new ATOM 0 HB2 GLN A 30 -11.796 -6.276 -5.272 1.00 73.04 H new ATOM 0 HB3 GLN A 30 -10.532 -7.483 -5.149 1.00 73.04 H new ATOM 0 HG2 GLN A 30 -11.497 -8.407 -3.134 1.00 63.44 H new ATOM 0 HG3 GLN A 30 -12.632 -7.079 -2.996 1.00 63.44 H new ATOM 0 HE21 GLN A 30 -14.467 -6.986 -4.326 1.00 63.40 H new ATOM 0 HE22 GLN A 30 -14.999 -8.378 -5.275 1.00 63.40 H new ATOM 455 N GLY A 31 -9.457 -6.044 -1.519 1.00 12.00 N ATOM 456 CA GLY A 31 -8.771 -6.690 -0.427 1.00 60.41 C ATOM 457 C GLY A 31 -9.731 -7.050 0.681 1.00 25.25 C ATOM 458 O GLY A 31 -10.873 -6.586 0.687 1.00 30.24 O ATOM 0 H GLY A 31 -9.871 -5.140 -1.290 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -8.273 -7.590 -0.788 1.00 60.41 H new ATOM 0 HA3 GLY A 31 -7.995 -6.030 -0.040 1.00 60.41 H new ATOM 462 N GLN A 32 -9.286 -7.866 1.618 1.00 23.33 N ATOM 463 CA GLN A 32 -10.133 -8.265 2.731 1.00 21.42 C ATOM 464 C GLN A 32 -10.187 -7.171 3.796 1.00 11.22 C ATOM 465 O GLN A 32 -9.482 -7.225 4.804 1.00 41.33 O ATOM 466 CB GLN A 32 -9.681 -9.609 3.325 1.00 2.14 C ATOM 467 CG GLN A 32 -8.211 -9.953 3.098 1.00 73.33 C ATOM 468 CD GLN A 32 -7.248 -9.032 3.823 1.00 74.52 C ATOM 469 OE1 GLN A 32 -6.805 -8.022 3.277 1.00 42.41 O ATOM 470 NE2 GLN A 32 -6.911 -9.380 5.055 1.00 21.15 N ATOM 0 H GLN A 32 -8.347 -8.265 1.633 1.00 23.33 H new ATOM 0 HA GLN A 32 -11.144 -8.405 2.348 1.00 21.42 H new ATOM 0 HB2 GLN A 32 -9.875 -9.599 4.398 1.00 2.14 H new ATOM 0 HB3 GLN A 32 -10.294 -10.402 2.898 1.00 2.14 H new ATOM 0 HG2 GLN A 32 -8.033 -10.978 3.423 1.00 73.33 H new ATOM 0 HG3 GLN A 32 -8.000 -9.916 2.029 1.00 73.33 H new ATOM 0 HE21 GLN A 32 -7.301 -10.226 5.471 1.00 21.15 H new ATOM 0 HE22 GLN A 32 -6.261 -8.802 5.588 1.00 21.15 H new ATOM 479 N LYS A 33 -11.033 -6.173 3.537 1.00 51.41 N ATOM 480 CA LYS A 33 -11.206 -5.022 4.420 1.00 0.31 C ATOM 481 C LYS A 33 -9.890 -4.275 4.620 1.00 23.41 C ATOM 482 O LYS A 33 -9.366 -4.185 5.733 1.00 60.12 O ATOM 483 CB LYS A 33 -11.807 -5.429 5.773 1.00 24.21 C ATOM 484 CG LYS A 33 -13.295 -5.750 5.714 1.00 63.21 C ATOM 485 CD LYS A 33 -13.570 -7.086 5.042 1.00 55.41 C ATOM 486 CE LYS A 33 -15.053 -7.278 4.774 1.00 5.20 C ATOM 487 NZ LYS A 33 -15.567 -6.284 3.795 1.00 51.23 N ATOM 0 H LYS A 33 -11.620 -6.142 2.704 1.00 51.41 H new ATOM 0 HA LYS A 33 -11.910 -4.348 3.932 1.00 0.31 H new ATOM 0 HB2 LYS A 33 -11.272 -6.300 6.150 1.00 24.21 H new ATOM 0 HB3 LYS A 33 -11.647 -4.622 6.488 1.00 24.21 H new ATOM 0 HG2 LYS A 33 -13.702 -5.764 6.725 1.00 63.21 H new ATOM 0 HG3 LYS A 33 -13.814 -4.959 5.172 1.00 63.21 H new ATOM 0 HD2 LYS A 33 -13.019 -7.143 4.103 1.00 55.41 H new ATOM 0 HD3 LYS A 33 -13.206 -7.895 5.675 1.00 55.41 H new ATOM 0 HE2 LYS A 33 -15.227 -8.285 4.396 1.00 5.20 H new ATOM 0 HE3 LYS A 33 -15.607 -7.188 5.709 1.00 5.20 H new ATOM 0 HZ1 LYS A 33 -16.456 -6.632 3.381 1.00 51.23 H new ATOM 0 HZ2 LYS A 33 -15.740 -5.379 4.278 1.00 51.23 H new ATOM 0 HZ3 LYS A 33 -14.865 -6.145 3.040 1.00 51.23 H new ATOM 501 N VAL A 34 -9.364 -3.749 3.523 1.00 45.32 N ATOM 502 CA VAL A 34 -8.132 -2.976 3.548 1.00 22.04 C ATOM 503 C VAL A 34 -8.123 -1.943 2.420 1.00 20.43 C ATOM 504 O VAL A 34 -8.356 -2.276 1.257 1.00 42.23 O ATOM 505 CB VAL A 34 -6.879 -3.886 3.436 1.00 44.31 C ATOM 506 CG1 VAL A 34 -6.980 -4.823 2.240 1.00 35.21 C ATOM 507 CG2 VAL A 34 -5.608 -3.050 3.354 1.00 71.43 C ATOM 0 H VAL A 34 -9.777 -3.846 2.595 1.00 45.32 H new ATOM 0 HA VAL A 34 -8.092 -2.462 4.509 1.00 22.04 H new ATOM 0 HB VAL A 34 -6.833 -4.497 4.338 1.00 44.31 H new ATOM 0 HG11 VAL A 34 -6.087 -5.446 2.190 1.00 35.21 H new ATOM 0 HG12 VAL A 34 -7.860 -5.457 2.348 1.00 35.21 H new ATOM 0 HG13 VAL A 34 -7.065 -4.237 1.325 1.00 35.21 H new ATOM 0 HG21 VAL A 34 -4.743 -3.709 3.276 1.00 71.43 H new ATOM 0 HG22 VAL A 34 -5.653 -2.405 2.476 1.00 71.43 H new ATOM 0 HG23 VAL A 34 -5.517 -2.437 4.251 1.00 71.43 H new ATOM 517 N GLN A 35 -7.911 -0.684 2.781 1.00 43.55 N ATOM 518 CA GLN A 35 -7.793 0.386 1.800 1.00 64.50 C ATOM 519 C GLN A 35 -6.587 1.259 2.124 1.00 11.44 C ATOM 520 O GLN A 35 -5.595 1.258 1.401 1.00 13.52 O ATOM 521 CB GLN A 35 -9.063 1.253 1.747 1.00 71.31 C ATOM 522 CG GLN A 35 -10.317 0.522 1.280 1.00 52.21 C ATOM 523 CD GLN A 35 -10.995 -0.270 2.382 1.00 54.02 C ATOM 524 OE1 GLN A 35 -10.938 0.093 3.555 1.00 33.55 O ATOM 525 NE2 GLN A 35 -11.644 -1.361 2.008 1.00 12.31 N ATOM 0 H GLN A 35 -7.817 -0.378 3.750 1.00 43.55 H new ATOM 0 HA GLN A 35 -7.661 -0.076 0.821 1.00 64.50 H new ATOM 0 HB2 GLN A 35 -9.247 1.664 2.740 1.00 71.31 H new ATOM 0 HB3 GLN A 35 -8.882 2.097 1.081 1.00 71.31 H new ATOM 0 HG2 GLN A 35 -11.023 1.248 0.876 1.00 52.21 H new ATOM 0 HG3 GLN A 35 -10.054 -0.153 0.466 1.00 52.21 H new ATOM 0 HE21 GLN A 35 -11.668 -1.628 1.024 1.00 12.31 H new ATOM 0 HE22 GLN A 35 -12.121 -1.935 2.704 1.00 12.31 H new ATOM 534 N VAL A 36 -6.675 1.994 3.229 1.00 71.34 N ATOM 535 CA VAL A 36 -5.604 2.890 3.653 1.00 25.25 C ATOM 536 C VAL A 36 -5.452 2.836 5.168 1.00 0.35 C ATOM 537 O VAL A 36 -6.430 2.995 5.899 1.00 41.15 O ATOM 538 CB VAL A 36 -5.871 4.358 3.235 1.00 72.24 C ATOM 539 CG1 VAL A 36 -4.708 5.255 3.638 1.00 42.24 C ATOM 540 CG2 VAL A 36 -6.127 4.469 1.741 1.00 63.21 C ATOM 0 H VAL A 36 -7.483 1.986 3.851 1.00 71.34 H new ATOM 0 HA VAL A 36 -4.691 2.553 3.162 1.00 25.25 H new ATOM 0 HB VAL A 36 -6.767 4.691 3.759 1.00 72.24 H new ATOM 0 HG11 VAL A 36 -4.917 6.281 3.335 1.00 42.24 H new ATOM 0 HG12 VAL A 36 -4.576 5.216 4.719 1.00 42.24 H new ATOM 0 HG13 VAL A 36 -3.797 4.911 3.149 1.00 42.24 H new ATOM 0 HG21 VAL A 36 -6.311 5.511 1.480 1.00 63.21 H new ATOM 0 HG22 VAL A 36 -5.256 4.106 1.195 1.00 63.21 H new ATOM 0 HG23 VAL A 36 -6.998 3.869 1.476 1.00 63.21 H new ATOM 550 N ILE A 37 -4.240 2.577 5.643 1.00 4.52 N ATOM 551 CA ILE A 37 -3.981 2.579 7.078 1.00 50.12 C ATOM 552 C ILE A 37 -3.028 3.705 7.473 1.00 64.11 C ATOM 553 O ILE A 37 -3.365 4.548 8.303 1.00 2.44 O ATOM 554 CB ILE A 37 -3.410 1.227 7.559 1.00 24.12 C ATOM 555 CG1 ILE A 37 -4.365 0.091 7.189 1.00 41.33 C ATOM 556 CG2 ILE A 37 -3.162 1.243 9.059 1.00 2.44 C ATOM 557 CD1 ILE A 37 -3.671 -1.143 6.667 1.00 11.54 C ATOM 0 H ILE A 37 -3.428 2.365 5.063 1.00 4.52 H new ATOM 0 HA ILE A 37 -4.942 2.743 7.565 1.00 50.12 H new ATOM 0 HB ILE A 37 -2.455 1.062 7.061 1.00 24.12 H new ATOM 0 HG12 ILE A 37 -4.952 -0.178 8.067 1.00 41.33 H new ATOM 0 HG13 ILE A 37 -5.065 0.449 6.435 1.00 41.33 H new ATOM 0 HG21 ILE A 37 -2.760 0.279 9.372 1.00 2.44 H new ATOM 0 HG22 ILE A 37 -2.448 2.030 9.301 1.00 2.44 H new ATOM 0 HG23 ILE A 37 -4.100 1.431 9.581 1.00 2.44 H new ATOM 0 HD11 ILE A 37 -4.414 -1.904 6.426 1.00 11.54 H new ATOM 0 HD12 ILE A 37 -3.106 -0.891 5.770 1.00 11.54 H new ATOM 0 HD13 ILE A 37 -2.991 -1.527 7.427 1.00 11.54 H new ATOM 569 N SER A 38 -1.845 3.728 6.871 1.00 65.22 N ATOM 570 CA SER A 38 -0.864 4.756 7.184 1.00 23.44 C ATOM 571 C SER A 38 -0.145 5.200 5.926 1.00 50.02 C ATOM 572 O SER A 38 -0.053 4.454 4.951 1.00 74.31 O ATOM 573 CB SER A 38 0.137 4.236 8.221 1.00 55.34 C ATOM 574 OG SER A 38 1.061 5.240 8.620 1.00 34.21 O ATOM 0 H SER A 38 -1.545 3.052 6.169 1.00 65.22 H new ATOM 0 HA SER A 38 -1.383 5.617 7.605 1.00 23.44 H new ATOM 0 HB2 SER A 38 -0.403 3.872 9.095 1.00 55.34 H new ATOM 0 HB3 SER A 38 0.681 3.387 7.806 1.00 55.34 H new ATOM 0 HG SER A 38 1.681 4.870 9.283 1.00 34.21 H new ATOM 580 N GLU A 39 0.369 6.409 5.960 1.00 64.25 N ATOM 581 CA GLU A 39 1.004 7.003 4.796 1.00 41.11 C ATOM 582 C GLU A 39 2.490 7.223 5.052 1.00 74.33 C ATOM 583 O GLU A 39 2.882 7.684 6.123 1.00 14.21 O ATOM 584 CB GLU A 39 0.346 8.340 4.432 1.00 40.34 C ATOM 585 CG GLU A 39 -1.170 8.288 4.261 1.00 63.04 C ATOM 586 CD GLU A 39 -1.922 8.399 5.576 1.00 71.33 C ATOM 587 OE1 GLU A 39 -1.503 9.197 6.439 1.00 40.12 O ATOM 588 OE2 GLU A 39 -2.948 7.710 5.742 1.00 13.44 O ATOM 0 H GLU A 39 0.361 7.007 6.786 1.00 64.25 H new ATOM 0 HA GLU A 39 0.880 6.312 3.963 1.00 41.11 H new ATOM 0 HB2 GLU A 39 0.584 9.068 5.208 1.00 40.34 H new ATOM 0 HB3 GLU A 39 0.789 8.705 3.505 1.00 40.34 H new ATOM 0 HG2 GLU A 39 -1.483 9.097 3.601 1.00 63.04 H new ATOM 0 HG3 GLU A 39 -1.443 7.353 3.771 1.00 63.04 H new ATOM 595 N ASN A 40 3.314 6.881 4.072 1.00 45.21 N ATOM 596 CA ASN A 40 4.749 7.125 4.154 1.00 44.41 C ATOM 597 C ASN A 40 5.114 8.255 3.217 1.00 1.54 C ATOM 598 O ASN A 40 4.269 8.759 2.470 1.00 54.00 O ATOM 599 CB ASN A 40 5.587 5.902 3.762 1.00 62.54 C ATOM 600 CG ASN A 40 5.054 4.581 4.306 1.00 70.13 C ATOM 601 OD1 ASN A 40 5.158 3.542 3.653 1.00 23.44 O ATOM 602 ND2 ASN A 40 4.512 4.605 5.513 1.00 54.22 N ATOM 0 H ASN A 40 3.013 6.432 3.207 1.00 45.21 H new ATOM 0 HA ASN A 40 4.968 7.368 5.194 1.00 44.41 H new ATOM 0 HB2 ASN A 40 5.635 5.842 2.675 1.00 62.54 H new ATOM 0 HB3 ASN A 40 6.607 6.044 4.119 1.00 62.54 H new ATOM 0 HD21 ASN A 40 4.163 3.743 5.933 1.00 54.22 H new ATOM 0 HD22 ASN A 40 4.443 5.485 6.024 1.00 54.22 H new ATOM 609 N SER A 41 6.369 8.656 3.265 1.00 71.53 N ATOM 610 CA SER A 41 6.899 9.640 2.348 1.00 13.14 C ATOM 611 C SER A 41 7.030 9.051 0.947 1.00 52.41 C ATOM 612 O SER A 41 8.119 8.685 0.510 1.00 41.52 O ATOM 613 CB SER A 41 8.259 10.123 2.834 1.00 2.42 C ATOM 614 OG SER A 41 8.133 10.989 3.949 1.00 53.21 O ATOM 0 H SER A 41 7.048 8.308 3.941 1.00 71.53 H new ATOM 0 HA SER A 41 6.210 10.484 2.309 1.00 13.14 H new ATOM 0 HB2 SER A 41 8.875 9.266 3.105 1.00 2.42 H new ATOM 0 HB3 SER A 41 8.773 10.642 2.025 1.00 2.42 H new ATOM 0 HG SER A 41 9.023 11.281 4.239 1.00 53.21 H new ATOM 620 N GLY A 42 5.904 8.911 0.278 1.00 23.13 N ATOM 621 CA GLY A 42 5.895 8.430 -1.085 1.00 75.41 C ATOM 622 C GLY A 42 4.670 7.593 -1.372 1.00 41.53 C ATOM 623 O GLY A 42 3.857 7.942 -2.225 1.00 21.43 O ATOM 0 H GLY A 42 4.982 9.124 0.659 1.00 23.13 H new ATOM 0 HA2 GLY A 42 5.926 9.277 -1.770 1.00 75.41 H new ATOM 0 HA3 GLY A 42 6.792 7.838 -1.268 1.00 75.41 H new ATOM 627 N TRP A 43 4.532 6.493 -0.647 1.00 51.00 N ATOM 628 CA TRP A 43 3.388 5.605 -0.801 1.00 55.51 C ATOM 629 C TRP A 43 2.720 5.369 0.543 1.00 60.33 C ATOM 630 O TRP A 43 3.302 5.624 1.594 1.00 53.51 O ATOM 631 CB TRP A 43 3.786 4.251 -1.388 1.00 43.55 C ATOM 632 CG TRP A 43 4.378 4.310 -2.762 1.00 63.40 C ATOM 633 CD1 TRP A 43 3.997 5.103 -3.805 1.00 33.13 C ATOM 634 CD2 TRP A 43 5.442 3.498 -3.238 1.00 40.13 C ATOM 635 NE1 TRP A 43 4.791 4.848 -4.900 1.00 41.44 N ATOM 636 CE2 TRP A 43 5.685 3.858 -4.574 1.00 60.05 C ATOM 637 CE3 TRP A 43 6.216 2.503 -2.649 1.00 21.42 C ATOM 638 CZ2 TRP A 43 6.682 3.249 -5.337 1.00 34.11 C ATOM 639 CZ3 TRP A 43 7.206 1.896 -3.401 1.00 14.23 C ATOM 640 CH2 TRP A 43 7.432 2.271 -4.734 1.00 53.13 C ATOM 0 H TRP A 43 5.203 6.192 0.059 1.00 51.00 H new ATOM 0 HA TRP A 43 2.700 6.095 -1.490 1.00 55.51 H new ATOM 0 HB2 TRP A 43 4.504 3.778 -0.718 1.00 43.55 H new ATOM 0 HB3 TRP A 43 2.905 3.610 -1.415 1.00 43.55 H new ATOM 0 HD1 TRP A 43 3.193 5.823 -3.776 1.00 33.13 H new ATOM 0 HE1 TRP A 43 4.726 5.317 -5.804 1.00 41.44 H new ATOM 0 HE3 TRP A 43 6.047 2.210 -1.623 1.00 21.42 H new ATOM 0 HZ2 TRP A 43 6.857 3.537 -6.363 1.00 34.11 H new ATOM 0 HZ3 TRP A 43 7.814 1.122 -2.956 1.00 14.23 H new ATOM 0 HH2 TRP A 43 8.212 1.780 -5.297 1.00 53.13 H new ATOM 651 N SER A 44 1.499 4.890 0.496 1.00 45.23 N ATOM 652 CA SER A 44 0.758 4.563 1.696 1.00 70.25 C ATOM 653 C SER A 44 0.896 3.072 1.972 1.00 21.01 C ATOM 654 O SER A 44 0.702 2.247 1.076 1.00 31.50 O ATOM 655 CB SER A 44 -0.715 4.958 1.531 1.00 43.31 C ATOM 656 OG SER A 44 -1.464 4.694 2.705 1.00 13.23 O ATOM 0 H SER A 44 0.991 4.716 -0.371 1.00 45.23 H new ATOM 0 HA SER A 44 1.159 5.119 2.543 1.00 70.25 H new ATOM 0 HB2 SER A 44 -0.782 6.018 1.287 1.00 43.31 H new ATOM 0 HB3 SER A 44 -1.147 4.410 0.693 1.00 43.31 H new ATOM 0 HG SER A 44 -0.862 4.388 3.415 1.00 13.23 H new ATOM 662 N LYS A 45 1.268 2.729 3.193 1.00 63.22 N ATOM 663 CA LYS A 45 1.480 1.357 3.569 1.00 53.14 C ATOM 664 C LYS A 45 0.202 0.734 4.115 1.00 53.02 C ATOM 665 O LYS A 45 -0.454 1.307 4.987 1.00 31.51 O ATOM 666 CB LYS A 45 2.558 1.323 4.629 1.00 34.10 C ATOM 667 CG LYS A 45 2.970 -0.064 5.037 1.00 61.25 C ATOM 668 CD LYS A 45 3.870 -0.002 6.243 1.00 33.53 C ATOM 669 CE LYS A 45 3.140 0.547 7.458 1.00 65.32 C ATOM 670 NZ LYS A 45 4.006 0.581 8.663 1.00 52.34 N ATOM 0 H LYS A 45 1.429 3.399 3.945 1.00 63.22 H new ATOM 0 HA LYS A 45 1.781 0.783 2.692 1.00 53.14 H new ATOM 0 HB2 LYS A 45 3.433 1.857 4.260 1.00 34.10 H new ATOM 0 HB3 LYS A 45 2.205 1.860 5.509 1.00 34.10 H new ATOM 0 HG2 LYS A 45 2.087 -0.663 5.262 1.00 61.25 H new ATOM 0 HG3 LYS A 45 3.487 -0.556 4.213 1.00 61.25 H new ATOM 0 HD2 LYS A 45 4.250 -0.999 6.466 1.00 33.53 H new ATOM 0 HD3 LYS A 45 4.733 0.626 6.022 1.00 33.53 H new ATOM 0 HE2 LYS A 45 2.782 1.554 7.241 1.00 65.32 H new ATOM 0 HE3 LYS A 45 2.262 -0.067 7.660 1.00 65.32 H new ATOM 0 HZ1 LYS A 45 3.467 0.962 9.467 1.00 52.34 H new ATOM 0 HZ2 LYS A 45 4.327 -0.382 8.887 1.00 52.34 H new ATOM 0 HZ3 LYS A 45 4.831 1.187 8.481 1.00 52.34 H new ATOM 684 N ILE A 46 -0.145 -0.438 3.605 1.00 23.24 N ATOM 685 CA ILE A 46 -1.315 -1.158 4.081 1.00 24.13 C ATOM 686 C ILE A 46 -1.008 -2.645 4.190 1.00 1.22 C ATOM 687 O ILE A 46 -0.194 -3.181 3.437 1.00 63.34 O ATOM 688 CB ILE A 46 -2.568 -0.967 3.173 1.00 14.35 C ATOM 689 CG1 ILE A 46 -2.388 -1.633 1.797 1.00 21.33 C ATOM 690 CG2 ILE A 46 -2.903 0.511 3.012 1.00 64.30 C ATOM 691 CD1 ILE A 46 -1.416 -0.932 0.872 1.00 24.31 C ATOM 0 H ILE A 46 0.368 -0.911 2.861 1.00 23.24 H new ATOM 0 HA ILE A 46 -1.552 -0.739 5.059 1.00 24.13 H new ATOM 0 HB ILE A 46 -3.403 -1.461 3.670 1.00 14.35 H new ATOM 0 HG12 ILE A 46 -2.049 -2.658 1.947 1.00 21.33 H new ATOM 0 HG13 ILE A 46 -3.360 -1.687 1.306 1.00 21.33 H new ATOM 0 HG21 ILE A 46 -3.781 0.618 2.374 1.00 64.30 H new ATOM 0 HG22 ILE A 46 -3.110 0.946 3.990 1.00 64.30 H new ATOM 0 HG23 ILE A 46 -2.058 1.028 2.556 1.00 64.30 H new ATOM 0 HD11 ILE A 46 -1.356 -1.474 -0.072 1.00 24.31 H new ATOM 0 HD12 ILE A 46 -1.761 0.085 0.685 1.00 24.31 H new ATOM 0 HD13 ILE A 46 -0.430 -0.901 1.336 1.00 24.31 H new ATOM 703 N ASN A 47 -1.637 -3.308 5.146 1.00 13.23 N ATOM 704 CA ASN A 47 -1.512 -4.749 5.264 1.00 52.05 C ATOM 705 C ASN A 47 -2.471 -5.405 4.291 1.00 63.21 C ATOM 706 O ASN A 47 -3.686 -5.325 4.454 1.00 24.41 O ATOM 707 CB ASN A 47 -1.806 -5.212 6.695 1.00 42.41 C ATOM 708 CG ASN A 47 -0.747 -4.771 7.687 1.00 40.30 C ATOM 709 OD1 ASN A 47 -0.112 -3.728 7.526 1.00 74.52 O ATOM 710 ND2 ASN A 47 -0.552 -5.564 8.727 1.00 20.41 N ATOM 0 H ASN A 47 -2.236 -2.873 5.848 1.00 13.23 H new ATOM 0 HA ASN A 47 -0.488 -5.039 5.027 1.00 52.05 H new ATOM 0 HB2 ASN A 47 -2.774 -4.820 7.007 1.00 42.41 H new ATOM 0 HB3 ASN A 47 -1.882 -6.299 6.711 1.00 42.41 H new ATOM 0 HD21 ASN A 47 0.145 -5.320 9.431 1.00 20.41 H new ATOM 0 HD22 ASN A 47 -1.098 -6.420 8.825 1.00 20.41 H new ATOM 717 N TYR A 48 -1.921 -6.061 3.288 1.00 65.13 N ATOM 718 CA TYR A 48 -2.720 -6.594 2.202 1.00 42.10 C ATOM 719 C TYR A 48 -2.760 -8.111 2.267 1.00 35.15 C ATOM 720 O TYR A 48 -1.818 -8.781 1.848 1.00 34.40 O ATOM 721 CB TYR A 48 -2.146 -6.145 0.856 1.00 51.14 C ATOM 722 CG TYR A 48 -3.150 -6.186 -0.279 1.00 43.24 C ATOM 723 CD1 TYR A 48 -3.405 -7.362 -0.970 1.00 42.54 C ATOM 724 CD2 TYR A 48 -3.845 -5.044 -0.654 1.00 25.12 C ATOM 725 CE1 TYR A 48 -4.322 -7.397 -2.000 1.00 11.44 C ATOM 726 CE2 TYR A 48 -4.767 -5.074 -1.683 1.00 74.42 C ATOM 727 CZ TYR A 48 -5.002 -6.253 -2.352 1.00 22.55 C ATOM 728 OH TYR A 48 -5.922 -6.294 -3.370 1.00 65.30 O ATOM 0 H TYR A 48 -0.920 -6.238 3.203 1.00 65.13 H new ATOM 0 HA TYR A 48 -3.736 -6.213 2.301 1.00 42.10 H new ATOM 0 HB2 TYR A 48 -1.764 -5.129 0.955 1.00 51.14 H new ATOM 0 HB3 TYR A 48 -1.298 -6.781 0.602 1.00 51.14 H new ATOM 0 HD1 TYR A 48 -2.877 -8.264 -0.697 1.00 42.54 H new ATOM 0 HD2 TYR A 48 -3.662 -4.116 -0.132 1.00 25.12 H new ATOM 0 HE1 TYR A 48 -4.506 -8.320 -2.529 1.00 11.44 H new ATOM 0 HE2 TYR A 48 -5.300 -4.177 -1.961 1.00 74.42 H new ATOM 0 HH TYR A 48 -5.698 -5.615 -4.040 1.00 65.30 H new ATOM 738 N ASN A 49 -3.844 -8.641 2.820 1.00 22.35 N ATOM 739 CA ASN A 49 -4.061 -10.086 2.906 1.00 1.33 C ATOM 740 C ASN A 49 -2.923 -10.764 3.678 1.00 22.42 C ATOM 741 O ASN A 49 -2.463 -11.849 3.320 1.00 1.41 O ATOM 742 CB ASN A 49 -4.205 -10.696 1.503 1.00 22.12 C ATOM 743 CG ASN A 49 -5.010 -11.987 1.504 1.00 53.21 C ATOM 744 OD1 ASN A 49 -6.238 -11.964 1.403 1.00 71.33 O ATOM 745 ND2 ASN A 49 -4.334 -13.120 1.600 1.00 3.35 N ATOM 0 H ASN A 49 -4.599 -8.085 3.222 1.00 22.35 H new ATOM 0 HA ASN A 49 -4.989 -10.258 3.451 1.00 1.33 H new ATOM 0 HB2 ASN A 49 -4.686 -9.973 0.845 1.00 22.12 H new ATOM 0 HB3 ASN A 49 -3.214 -10.891 1.092 1.00 22.12 H new ATOM 0 HD21 ASN A 49 -4.829 -14.012 1.592 1.00 3.35 H new ATOM 0 HD22 ASN A 49 -3.317 -13.102 1.682 1.00 3.35 H new ATOM 752 N GLY A 50 -2.484 -10.116 4.749 1.00 60.43 N ATOM 753 CA GLY A 50 -1.478 -10.697 5.618 1.00 34.11 C ATOM 754 C GLY A 50 -0.055 -10.259 5.312 1.00 2.01 C ATOM 755 O GLY A 50 0.826 -10.406 6.158 1.00 43.23 O ATOM 0 H GLY A 50 -2.809 -9.192 5.033 1.00 60.43 H new ATOM 0 HA2 GLY A 50 -1.712 -10.435 6.650 1.00 34.11 H new ATOM 0 HA3 GLY A 50 -1.535 -11.783 5.544 1.00 34.11 H new ATOM 759 N GLN A 51 0.190 -9.713 4.125 1.00 24.33 N ATOM 760 CA GLN A 51 1.524 -9.219 3.794 1.00 43.43 C ATOM 761 C GLN A 51 1.529 -7.699 3.672 1.00 42.11 C ATOM 762 O GLN A 51 0.502 -7.085 3.397 1.00 54.04 O ATOM 763 CB GLN A 51 2.070 -9.858 2.509 1.00 41.41 C ATOM 764 CG GLN A 51 1.108 -9.838 1.333 1.00 34.33 C ATOM 765 CD GLN A 51 0.412 -11.172 1.135 1.00 3.23 C ATOM 766 OE1 GLN A 51 0.977 -12.232 1.409 1.00 73.43 O ATOM 767 NE2 GLN A 51 -0.818 -11.130 0.663 1.00 1.41 N ATOM 0 H GLN A 51 -0.504 -9.602 3.386 1.00 24.33 H new ATOM 0 HA GLN A 51 2.182 -9.507 4.614 1.00 43.43 H new ATOM 0 HB2 GLN A 51 2.985 -9.340 2.222 1.00 41.41 H new ATOM 0 HB3 GLN A 51 2.343 -10.892 2.721 1.00 41.41 H new ATOM 0 HG2 GLN A 51 0.360 -9.061 1.491 1.00 34.33 H new ATOM 0 HG3 GLN A 51 1.652 -9.577 0.426 1.00 34.33 H new ATOM 0 HE21 GLN A 51 -1.251 -10.232 0.448 1.00 1.41 H new ATOM 0 HE22 GLN A 51 -1.336 -11.995 0.513 1.00 1.41 H new ATOM 776 N THR A 52 2.688 -7.097 3.888 1.00 74.45 N ATOM 777 CA THR A 52 2.820 -5.650 3.826 1.00 42.53 C ATOM 778 C THR A 52 2.842 -5.169 2.376 1.00 62.42 C ATOM 779 O THR A 52 3.720 -5.546 1.598 1.00 42.12 O ATOM 780 CB THR A 52 4.099 -5.177 4.548 1.00 12.21 C ATOM 781 OG1 THR A 52 4.127 -5.709 5.881 1.00 54.14 O ATOM 782 CG2 THR A 52 4.159 -3.660 4.606 1.00 13.53 C ATOM 0 H THR A 52 3.553 -7.590 4.108 1.00 74.45 H new ATOM 0 HA THR A 52 1.954 -5.220 4.330 1.00 42.53 H new ATOM 0 HB THR A 52 4.962 -5.537 3.989 1.00 12.21 H new ATOM 0 HG1 THR A 52 4.941 -5.408 6.336 1.00 54.14 H new ATOM 0 HG21 THR A 52 5.070 -3.351 5.120 1.00 13.53 H new ATOM 0 HG22 THR A 52 4.159 -3.257 3.593 1.00 13.53 H new ATOM 0 HG23 THR A 52 3.291 -3.282 5.147 1.00 13.53 H new ATOM 790 N GLY A 53 1.867 -4.345 2.022 1.00 62.34 N ATOM 791 CA GLY A 53 1.784 -3.823 0.676 1.00 12.30 C ATOM 792 C GLY A 53 1.801 -2.313 0.655 1.00 43.23 C ATOM 793 O GLY A 53 1.792 -1.674 1.710 1.00 22.15 O ATOM 0 H GLY A 53 1.128 -4.027 2.649 1.00 62.34 H new ATOM 0 HA2 GLY A 53 2.619 -4.204 0.087 1.00 12.30 H new ATOM 0 HA3 GLY A 53 0.870 -4.182 0.203 1.00 12.30 H new ATOM 797 N TYR A 54 1.823 -1.739 -0.539 1.00 52.01 N ATOM 798 CA TYR A 54 1.862 -0.291 -0.687 1.00 52.22 C ATOM 799 C TYR A 54 0.891 0.178 -1.756 1.00 61.10 C ATOM 800 O TYR A 54 0.572 -0.556 -2.692 1.00 13.34 O ATOM 801 CB TYR A 54 3.275 0.183 -1.039 1.00 32.11 C ATOM 802 CG TYR A 54 4.293 -0.063 0.050 1.00 42.51 C ATOM 803 CD1 TYR A 54 4.291 0.703 1.208 1.00 63.42 C ATOM 804 CD2 TYR A 54 5.254 -1.057 -0.079 1.00 64.51 C ATOM 805 CE1 TYR A 54 5.220 0.486 2.206 1.00 12.21 C ATOM 806 CE2 TYR A 54 6.185 -1.282 0.916 1.00 15.42 C ATOM 807 CZ TYR A 54 6.164 -0.510 2.057 1.00 74.44 C ATOM 808 OH TYR A 54 7.093 -0.726 3.050 1.00 62.32 O ATOM 0 H TYR A 54 1.815 -2.254 -1.420 1.00 52.01 H new ATOM 0 HA TYR A 54 1.567 0.141 0.269 1.00 52.22 H new ATOM 0 HB2 TYR A 54 3.601 -0.322 -1.948 1.00 32.11 H new ATOM 0 HB3 TYR A 54 3.245 1.250 -1.260 1.00 32.11 H new ATOM 0 HD1 TYR A 54 3.551 1.481 1.330 1.00 63.42 H new ATOM 0 HD2 TYR A 54 5.274 -1.664 -0.972 1.00 64.51 H new ATOM 0 HE1 TYR A 54 5.208 1.093 3.099 1.00 12.21 H new ATOM 0 HE2 TYR A 54 6.926 -2.059 0.800 1.00 15.42 H new ATOM 0 HH TYR A 54 7.684 -1.463 2.790 1.00 62.32 H new ATOM 818 N ILE A 55 0.409 1.396 -1.590 1.00 14.24 N ATOM 819 CA ILE A 55 -0.450 2.048 -2.567 1.00 32.12 C ATOM 820 C ILE A 55 -0.035 3.503 -2.736 1.00 61.11 C ATOM 821 O ILE A 55 0.425 4.132 -1.786 1.00 71.10 O ATOM 822 CB ILE A 55 -1.941 1.960 -2.165 1.00 20.42 C ATOM 823 CG1 ILE A 55 -2.113 2.249 -0.669 1.00 10.21 C ATOM 824 CG2 ILE A 55 -2.520 0.599 -2.524 1.00 33.44 C ATOM 825 CD1 ILE A 55 -3.118 3.334 -0.363 1.00 21.01 C ATOM 0 H ILE A 55 0.603 1.967 -0.767 1.00 14.24 H new ATOM 0 HA ILE A 55 -0.333 1.526 -3.517 1.00 32.12 H new ATOM 0 HB ILE A 55 -2.491 2.717 -2.725 1.00 20.42 H new ATOM 0 HG12 ILE A 55 -2.419 1.332 -0.166 1.00 10.21 H new ATOM 0 HG13 ILE A 55 -1.147 2.535 -0.252 1.00 10.21 H new ATOM 0 HG21 ILE A 55 -3.569 0.561 -2.232 1.00 33.44 H new ATOM 0 HG22 ILE A 55 -2.437 0.440 -3.599 1.00 33.44 H new ATOM 0 HG23 ILE A 55 -1.969 -0.181 -1.999 1.00 33.44 H new ATOM 0 HD11 ILE A 55 -3.181 3.478 0.716 1.00 21.01 H new ATOM 0 HD12 ILE A 55 -2.804 4.265 -0.835 1.00 21.01 H new ATOM 0 HD13 ILE A 55 -4.096 3.044 -0.748 1.00 21.01 H new ATOM 837 N GLY A 56 -0.176 4.028 -3.942 1.00 14.52 N ATOM 838 CA GLY A 56 0.290 5.370 -4.216 1.00 1.32 C ATOM 839 C GLY A 56 -0.736 6.413 -3.845 1.00 71.12 C ATOM 840 O GLY A 56 -1.918 6.108 -3.718 1.00 41.04 O ATOM 0 H GLY A 56 -0.604 3.550 -4.735 1.00 14.52 H new ATOM 0 HA2 GLY A 56 1.210 5.554 -3.662 1.00 1.32 H new ATOM 0 HA3 GLY A 56 0.532 5.460 -5.275 1.00 1.32 H new ATOM 844 N THR A 57 -0.288 7.644 -3.662 1.00 4.31 N ATOM 845 CA THR A 57 -1.180 8.732 -3.336 1.00 43.13 C ATOM 846 C THR A 57 -2.013 9.115 -4.556 1.00 31.45 C ATOM 847 O THR A 57 -3.220 9.348 -4.456 1.00 30.40 O ATOM 848 CB THR A 57 -0.381 9.953 -2.852 1.00 31.14 C ATOM 849 OG1 THR A 57 0.934 9.945 -3.433 1.00 73.22 O ATOM 850 CG2 THR A 57 -0.270 9.961 -1.333 1.00 41.42 C ATOM 0 H THR A 57 0.694 7.910 -3.735 1.00 4.31 H new ATOM 0 HA THR A 57 -1.845 8.404 -2.537 1.00 43.13 H new ATOM 0 HB THR A 57 -0.910 10.852 -3.167 1.00 31.14 H new ATOM 0 HG1 THR A 57 1.435 10.727 -3.120 1.00 73.22 H new ATOM 0 HG21 THR A 57 0.299 10.834 -1.014 1.00 41.42 H new ATOM 0 HG22 THR A 57 -1.268 9.999 -0.895 1.00 41.42 H new ATOM 0 HG23 THR A 57 0.238 9.056 -1.001 1.00 41.42 H new ATOM 858 N ARG A 58 -1.356 9.158 -5.711 1.00 1.32 N ATOM 859 CA ARG A 58 -2.005 9.510 -6.958 1.00 1.13 C ATOM 860 C ARG A 58 -2.826 8.338 -7.480 1.00 22.21 C ATOM 861 O ARG A 58 -4.012 8.479 -7.781 1.00 61.34 O ATOM 862 CB ARG A 58 -0.951 9.909 -7.987 1.00 25.13 C ATOM 863 CG ARG A 58 -0.008 10.995 -7.502 1.00 60.14 C ATOM 864 CD ARG A 58 1.065 11.303 -8.530 1.00 71.03 C ATOM 865 NE ARG A 58 2.084 12.201 -7.995 1.00 33.23 N ATOM 866 CZ ARG A 58 3.392 12.035 -8.176 1.00 25.12 C ATOM 867 NH1 ARG A 58 3.845 11.051 -8.944 1.00 33.20 N ATOM 868 NH2 ARG A 58 4.243 12.870 -7.606 1.00 73.10 N ATOM 0 H ARG A 58 -0.362 8.950 -5.803 1.00 1.32 H new ATOM 0 HA ARG A 58 -2.676 10.351 -6.783 1.00 1.13 H new ATOM 0 HB2 ARG A 58 -0.369 9.028 -8.258 1.00 25.13 H new ATOM 0 HB3 ARG A 58 -1.451 10.252 -8.893 1.00 25.13 H new ATOM 0 HG2 ARG A 58 -0.575 11.900 -7.285 1.00 60.14 H new ATOM 0 HG3 ARG A 58 0.460 10.681 -6.569 1.00 60.14 H new ATOM 0 HD2 ARG A 58 1.533 10.374 -8.856 1.00 71.03 H new ATOM 0 HD3 ARG A 58 0.607 11.755 -9.410 1.00 71.03 H new ATOM 0 HE ARG A 58 1.775 13.005 -7.449 1.00 33.23 H new ATOM 0 HH11 ARG A 58 3.189 10.416 -9.400 1.00 33.20 H new ATOM 0 HH12 ARG A 58 4.849 10.930 -9.078 1.00 33.20 H new ATOM 0 HH21 ARG A 58 3.896 13.637 -7.030 1.00 73.10 H new ATOM 0 HH22 ARG A 58 5.246 12.747 -7.742 1.00 73.10 H new ATOM 882 N TYR A 59 -2.190 7.177 -7.573 1.00 75.21 N ATOM 883 CA TYR A 59 -2.856 5.985 -8.037 1.00 43.24 C ATOM 884 C TYR A 59 -3.070 5.051 -6.863 1.00 4.51 C ATOM 885 O TYR A 59 -2.122 4.589 -6.227 1.00 11.03 O ATOM 886 CB TYR A 59 -2.031 5.323 -9.132 1.00 40.03 C ATOM 887 CG TYR A 59 -2.046 6.097 -10.429 1.00 25.11 C ATOM 888 CD1 TYR A 59 -1.236 7.208 -10.586 1.00 42.24 C ATOM 889 CD2 TYR A 59 -2.868 5.729 -11.486 1.00 32.01 C ATOM 890 CE1 TYR A 59 -1.238 7.937 -11.757 1.00 14.34 C ATOM 891 CE2 TYR A 59 -2.878 6.453 -12.663 1.00 74.23 C ATOM 892 CZ TYR A 59 -2.061 7.556 -12.794 1.00 22.13 C ATOM 893 OH TYR A 59 -2.068 8.282 -13.964 1.00 22.11 O ATOM 0 H TYR A 59 -1.208 7.044 -7.330 1.00 75.21 H new ATOM 0 HA TYR A 59 -3.827 6.238 -8.462 1.00 43.24 H new ATOM 0 HB2 TYR A 59 -1.001 5.217 -8.790 1.00 40.03 H new ATOM 0 HB3 TYR A 59 -2.413 4.318 -9.310 1.00 40.03 H new ATOM 0 HD1 TYR A 59 -0.589 7.510 -9.776 1.00 42.24 H new ATOM 0 HD2 TYR A 59 -3.508 4.865 -11.387 1.00 32.01 H new ATOM 0 HE1 TYR A 59 -0.598 8.801 -11.860 1.00 14.34 H new ATOM 0 HE2 TYR A 59 -3.523 6.156 -13.477 1.00 74.23 H new ATOM 0 HH TYR A 59 -2.921 8.757 -14.049 1.00 22.11 H new ATOM 903 N LEU A 60 -4.323 4.770 -6.606 1.00 61.30 N ATOM 904 CA LEU A 60 -4.748 4.126 -5.373 1.00 64.52 C ATOM 905 C LEU A 60 -6.052 3.388 -5.648 1.00 3.34 C ATOM 906 O LEU A 60 -6.771 3.747 -6.576 1.00 64.10 O ATOM 907 CB LEU A 60 -4.945 5.222 -4.303 1.00 14.41 C ATOM 908 CG LEU A 60 -4.866 4.811 -2.826 1.00 24.54 C ATOM 909 CD1 LEU A 60 -4.664 6.049 -1.963 1.00 23.25 C ATOM 910 CD2 LEU A 60 -6.125 4.083 -2.376 1.00 31.21 C ATOM 0 H LEU A 60 -5.088 4.980 -7.247 1.00 61.30 H new ATOM 0 HA LEU A 60 -4.008 3.411 -5.014 1.00 64.52 H new ATOM 0 HB2 LEU A 60 -4.196 5.995 -4.475 1.00 14.41 H new ATOM 0 HB3 LEU A 60 -5.920 5.680 -4.470 1.00 14.41 H new ATOM 0 HG LEU A 60 -4.023 4.130 -2.713 1.00 24.54 H new ATOM 0 HD11 LEU A 60 -4.608 5.756 -0.914 1.00 23.25 H new ATOM 0 HD12 LEU A 60 -3.738 6.546 -2.251 1.00 23.25 H new ATOM 0 HD13 LEU A 60 -5.502 6.732 -2.105 1.00 23.25 H new ATOM 0 HD21 LEU A 60 -6.031 3.809 -1.325 1.00 31.21 H new ATOM 0 HD22 LEU A 60 -6.988 4.736 -2.504 1.00 31.21 H new ATOM 0 HD23 LEU A 60 -6.259 3.183 -2.976 1.00 31.21 H new ATOM 922 N SER A 61 -6.384 2.393 -4.850 1.00 3.12 N ATOM 923 CA SER A 61 -7.583 1.627 -5.101 1.00 11.24 C ATOM 924 C SER A 61 -8.804 2.347 -4.553 1.00 62.12 C ATOM 925 O SER A 61 -8.925 2.579 -3.350 1.00 35.33 O ATOM 926 CB SER A 61 -7.449 0.245 -4.469 1.00 42.30 C ATOM 927 OG SER A 61 -7.002 0.344 -3.127 1.00 53.12 O ATOM 0 H SER A 61 -5.847 2.100 -4.033 1.00 3.12 H new ATOM 0 HA SER A 61 -7.713 1.516 -6.178 1.00 11.24 H new ATOM 0 HB2 SER A 61 -8.410 -0.268 -4.500 1.00 42.30 H new ATOM 0 HB3 SER A 61 -6.748 -0.357 -5.047 1.00 42.30 H new ATOM 0 HG SER A 61 -7.505 1.048 -2.666 1.00 53.12 H new ATOM 933 N LYS A 62 -9.706 2.701 -5.454 1.00 31.23 N ATOM 934 CA LYS A 62 -10.960 3.336 -5.086 1.00 5.14 C ATOM 935 C LYS A 62 -12.120 2.580 -5.708 1.00 71.11 C ATOM 936 O LYS A 62 -12.268 2.541 -6.932 1.00 74.33 O ATOM 937 CB LYS A 62 -11.000 4.812 -5.509 1.00 33.42 C ATOM 938 CG LYS A 62 -10.311 5.761 -4.531 1.00 20.41 C ATOM 939 CD LYS A 62 -8.810 5.863 -4.764 1.00 64.30 C ATOM 940 CE LYS A 62 -8.489 6.637 -6.037 1.00 63.41 C ATOM 941 NZ LYS A 62 -7.025 6.849 -6.203 1.00 32.12 N ATOM 0 H LYS A 62 -9.590 2.557 -6.457 1.00 31.23 H new ATOM 0 HA LYS A 62 -11.044 3.306 -4.000 1.00 5.14 H new ATOM 0 HB2 LYS A 62 -10.529 4.911 -6.487 1.00 33.42 H new ATOM 0 HB3 LYS A 62 -12.040 5.118 -5.623 1.00 33.42 H new ATOM 0 HG2 LYS A 62 -10.756 6.752 -4.620 1.00 20.41 H new ATOM 0 HG3 LYS A 62 -10.493 5.420 -3.512 1.00 20.41 H new ATOM 0 HD2 LYS A 62 -8.342 6.355 -3.911 1.00 64.30 H new ATOM 0 HD3 LYS A 62 -8.383 4.862 -4.829 1.00 64.30 H new ATOM 0 HE2 LYS A 62 -8.877 6.095 -6.899 1.00 63.41 H new ATOM 0 HE3 LYS A 62 -8.995 7.602 -6.013 1.00 63.41 H new ATOM 0 HZ1 LYS A 62 -6.860 7.727 -6.735 1.00 32.12 H new ATOM 0 HZ2 LYS A 62 -6.576 6.921 -5.268 1.00 32.12 H new ATOM 0 HZ3 LYS A 62 -6.615 6.047 -6.723 1.00 32.12 H new ATOM 955 N LEU A 63 -12.932 1.976 -4.855 1.00 1.41 N ATOM 956 CA LEU A 63 -14.046 1.154 -5.304 1.00 71.43 C ATOM 957 C LEU A 63 -15.101 2.000 -6.004 1.00 52.13 C ATOM 958 O LEU A 63 -15.710 1.571 -6.987 1.00 5.12 O ATOM 959 CB LEU A 63 -14.669 0.414 -4.115 1.00 34.54 C ATOM 960 CG LEU A 63 -13.715 -0.497 -3.337 1.00 31.13 C ATOM 961 CD1 LEU A 63 -14.423 -1.117 -2.143 1.00 72.45 C ATOM 962 CD2 LEU A 63 -13.150 -1.580 -4.242 1.00 60.13 C ATOM 0 H LEU A 63 -12.840 2.040 -3.841 1.00 1.41 H new ATOM 0 HA LEU A 63 -13.664 0.425 -6.018 1.00 71.43 H new ATOM 0 HB2 LEU A 63 -15.083 1.151 -3.427 1.00 34.54 H new ATOM 0 HB3 LEU A 63 -15.503 -0.187 -4.479 1.00 34.54 H new ATOM 0 HG LEU A 63 -12.887 0.110 -2.970 1.00 31.13 H new ATOM 0 HD11 LEU A 63 -13.729 -1.761 -1.603 1.00 72.45 H new ATOM 0 HD12 LEU A 63 -14.777 -0.328 -1.480 1.00 72.45 H new ATOM 0 HD13 LEU A 63 -15.271 -1.707 -2.489 1.00 72.45 H new ATOM 0 HD21 LEU A 63 -12.475 -2.216 -3.670 1.00 60.13 H new ATOM 0 HD22 LEU A 63 -13.966 -2.183 -4.641 1.00 60.13 H new ATOM 0 HD23 LEU A 63 -12.604 -1.118 -5.065 1.00 60.13 H new ATOM 974 N GLU A 64 -15.305 3.207 -5.509 1.00 43.13 N ATOM 975 CA GLU A 64 -16.315 4.080 -6.068 1.00 13.14 C ATOM 976 C GLU A 64 -15.659 5.241 -6.808 1.00 73.40 C ATOM 977 O GLU A 64 -15.615 6.371 -6.319 1.00 12.25 O ATOM 978 CB GLU A 64 -17.256 4.579 -4.968 1.00 30.41 C ATOM 979 CG GLU A 64 -18.680 4.848 -5.440 1.00 71.14 C ATOM 980 CD GLU A 64 -18.821 6.119 -6.255 1.00 72.44 C ATOM 981 OE1 GLU A 64 -18.570 6.083 -7.475 1.00 12.02 O ATOM 982 OE2 GLU A 64 -19.202 7.156 -5.672 1.00 22.11 O ATOM 0 H GLU A 64 -14.786 3.602 -4.725 1.00 43.13 H new ATOM 0 HA GLU A 64 -16.911 3.518 -6.787 1.00 13.14 H new ATOM 0 HB2 GLU A 64 -17.284 3.841 -4.167 1.00 30.41 H new ATOM 0 HB3 GLU A 64 -16.847 5.495 -4.543 1.00 30.41 H new ATOM 0 HG2 GLU A 64 -19.021 4.003 -6.039 1.00 71.14 H new ATOM 0 HG3 GLU A 64 -19.336 4.909 -4.572 1.00 71.14 H new ATOM 989 N HIS A 65 -15.086 4.928 -7.962 1.00 3.35 N ATOM 990 CA HIS A 65 -14.582 5.943 -8.878 1.00 71.24 C ATOM 991 C HIS A 65 -15.174 5.668 -10.253 1.00 71.43 C ATOM 992 O HIS A 65 -14.858 6.326 -11.243 1.00 31.54 O ATOM 993 CB HIS A 65 -13.047 5.913 -8.930 1.00 43.03 C ATOM 994 CG HIS A 65 -12.420 7.145 -9.521 1.00 43.24 C ATOM 995 ND1 HIS A 65 -11.983 8.201 -8.754 1.00 1.02 N ATOM 996 CD2 HIS A 65 -12.143 7.482 -10.807 1.00 23.21 C ATOM 997 CE1 HIS A 65 -11.473 9.131 -9.536 1.00 11.14 C ATOM 998 NE2 HIS A 65 -11.553 8.722 -10.786 1.00 43.00 N ATOM 0 H HIS A 65 -14.958 3.970 -8.288 1.00 3.35 H new ATOM 0 HA HIS A 65 -14.875 6.936 -8.536 1.00 71.24 H new ATOM 0 HB2 HIS A 65 -12.664 5.775 -7.919 1.00 43.03 H new ATOM 0 HB3 HIS A 65 -12.732 5.046 -9.511 1.00 43.03 H new ATOM 0 HD2 HIS A 65 -12.349 6.886 -11.684 1.00 23.21 H new ATOM 0 HE1 HIS A 65 -11.058 10.072 -9.207 1.00 11.14 H new ATOM 0 HE2 HIS A 65 -11.230 9.241 -11.603 1.00 43.00 H new ATOM 1007 N HIS A 66 -16.051 4.678 -10.287 1.00 11.25 N ATOM 1008 CA HIS A 66 -16.671 4.225 -11.519 1.00 10.31 C ATOM 1009 C HIS A 66 -18.111 3.819 -11.254 1.00 63.20 C ATOM 1010 O HIS A 66 -18.367 2.758 -10.689 1.00 73.31 O ATOM 1011 CB HIS A 66 -15.877 3.047 -12.111 1.00 13.05 C ATOM 1012 CG HIS A 66 -16.554 2.342 -13.258 1.00 74.21 C ATOM 1013 ND1 HIS A 66 -16.485 2.773 -14.564 1.00 15.53 N ATOM 1014 CD2 HIS A 66 -17.316 1.221 -13.280 1.00 63.14 C ATOM 1015 CE1 HIS A 66 -17.170 1.951 -15.336 1.00 72.44 C ATOM 1016 NE2 HIS A 66 -17.688 1.001 -14.582 1.00 33.40 N ATOM 0 H HIS A 66 -16.353 4.165 -9.458 1.00 11.25 H new ATOM 0 HA HIS A 66 -16.666 5.041 -12.242 1.00 10.31 H new ATOM 0 HB2 HIS A 66 -14.908 3.414 -12.449 1.00 13.05 H new ATOM 0 HB3 HIS A 66 -15.685 2.322 -11.320 1.00 13.05 H new ATOM 0 HD2 HIS A 66 -17.582 0.612 -12.428 1.00 63.14 H new ATOM 0 HE1 HIS A 66 -17.287 2.041 -16.406 1.00 72.44 H new ATOM 0 HE2 HIS A 66 -18.269 0.230 -14.912 1.00 33.40 H new ATOM 1025 N HIS A 67 -19.040 4.686 -11.628 1.00 4.34 N ATOM 1026 CA HIS A 67 -20.461 4.367 -11.535 1.00 41.33 C ATOM 1027 C HIS A 67 -20.802 3.225 -12.485 1.00 63.51 C ATOM 1028 O HIS A 67 -20.084 2.980 -13.458 1.00 14.44 O ATOM 1029 CB HIS A 67 -21.323 5.596 -11.862 1.00 35.11 C ATOM 1030 CG HIS A 67 -21.223 6.055 -13.288 1.00 51.35 C ATOM 1031 ND1 HIS A 67 -22.245 5.913 -14.201 1.00 64.30 N ATOM 1032 CD2 HIS A 67 -20.211 6.658 -13.951 1.00 60.14 C ATOM 1033 CE1 HIS A 67 -21.863 6.403 -15.365 1.00 10.03 C ATOM 1034 NE2 HIS A 67 -20.631 6.861 -15.241 1.00 50.25 N ATOM 0 H HIS A 67 -18.838 5.615 -11.998 1.00 4.34 H new ATOM 0 HA HIS A 67 -20.676 4.061 -10.511 1.00 41.33 H new ATOM 0 HB2 HIS A 67 -22.365 5.365 -11.638 1.00 35.11 H new ATOM 0 HB3 HIS A 67 -21.030 6.416 -11.207 1.00 35.11 H new ATOM 0 HD2 HIS A 67 -19.250 6.930 -13.541 1.00 60.14 H new ATOM 0 HE1 HIS A 67 -22.457 6.426 -16.266 1.00 10.03 H new ATOM 0 HE2 HIS A 67 -20.081 7.295 -15.983 1.00 50.25 H new ATOM 1043 N HIS A 68 -21.899 2.540 -12.215 1.00 3.41 N ATOM 1044 CA HIS A 68 -22.291 1.403 -13.029 1.00 53.21 C ATOM 1045 C HIS A 68 -23.661 1.621 -13.661 1.00 12.04 C ATOM 1046 O HIS A 68 -24.696 1.521 -13.004 1.00 64.11 O ATOM 1047 CB HIS A 68 -22.257 0.088 -12.220 1.00 34.31 C ATOM 1048 CG HIS A 68 -23.071 0.089 -10.952 1.00 52.04 C ATOM 1049 ND1 HIS A 68 -22.548 0.431 -9.724 1.00 21.00 N ATOM 1050 CD2 HIS A 68 -24.369 -0.230 -10.725 1.00 33.15 C ATOM 1051 CE1 HIS A 68 -23.485 0.328 -8.800 1.00 51.32 C ATOM 1052 NE2 HIS A 68 -24.597 -0.072 -9.381 1.00 14.33 N ATOM 0 H HIS A 68 -22.531 2.750 -11.443 1.00 3.41 H new ATOM 0 HA HIS A 68 -21.562 1.314 -13.834 1.00 53.21 H new ATOM 0 HB2 HIS A 68 -22.611 -0.721 -12.859 1.00 34.31 H new ATOM 0 HB3 HIS A 68 -21.221 -0.136 -11.967 1.00 34.31 H new ATOM 0 HD2 HIS A 68 -25.089 -0.549 -11.464 1.00 33.15 H new ATOM 0 HE1 HIS A 68 -23.361 0.536 -7.748 1.00 51.32 H new ATOM 0 HE2 HIS A 68 -25.485 -0.238 -8.908 1.00 14.33 H new ATOM 1061 N HIS A 69 -23.657 1.954 -14.939 1.00 13.22 N ATOM 1062 CA HIS A 69 -24.890 2.043 -15.697 1.00 70.21 C ATOM 1063 C HIS A 69 -25.289 0.631 -16.105 1.00 35.15 C ATOM 1064 O HIS A 69 -24.413 -0.210 -16.314 1.00 60.14 O ATOM 1065 CB HIS A 69 -24.694 2.945 -16.926 1.00 54.34 C ATOM 1066 CG HIS A 69 -25.969 3.489 -17.508 1.00 12.33 C ATOM 1067 ND1 HIS A 69 -26.020 4.162 -18.711 1.00 11.11 N ATOM 1068 CD2 HIS A 69 -27.240 3.472 -17.039 1.00 72.35 C ATOM 1069 CE1 HIS A 69 -27.264 4.530 -18.952 1.00 74.22 C ATOM 1070 NE2 HIS A 69 -28.021 4.125 -17.956 1.00 33.24 N ATOM 0 H HIS A 69 -22.814 2.167 -15.473 1.00 13.22 H new ATOM 0 HA HIS A 69 -25.682 2.487 -15.094 1.00 70.21 H new ATOM 0 HB2 HIS A 69 -24.050 3.780 -16.650 1.00 54.34 H new ATOM 0 HB3 HIS A 69 -24.170 2.380 -17.696 1.00 54.34 H new ATOM 0 HD2 HIS A 69 -27.575 3.026 -16.114 1.00 72.35 H new ATOM 0 HE1 HIS A 69 -27.604 5.073 -19.822 1.00 74.22 H new ATOM 0 HE2 HIS A 69 -29.027 4.273 -17.879 1.00 33.24 H new ATOM 1079 N HIS A 70 -26.596 0.378 -16.214 1.00 73.32 N ATOM 1080 CA HIS A 70 -27.134 -0.971 -16.431 1.00 62.40 C ATOM 1081 C HIS A 70 -27.060 -1.767 -15.138 1.00 74.53 C ATOM 1082 O HIS A 70 -26.046 -2.457 -14.914 1.00 39.47 O ATOM 1083 CB HIS A 70 -26.402 -1.736 -17.546 1.00 73.23 C ATOM 1084 CG HIS A 70 -26.647 -1.213 -18.923 1.00 43.21 C ATOM 1085 ND1 HIS A 70 -27.478 -1.842 -19.821 1.00 55.12 N ATOM 1086 CD2 HIS A 70 -26.145 -0.136 -19.569 1.00 62.13 C ATOM 1087 CE1 HIS A 70 -27.480 -1.178 -20.957 1.00 74.45 C ATOM 1088 NE2 HIS A 70 -26.680 -0.135 -20.833 1.00 60.03 N ATOM 1089 OXT HIS A 70 -28.016 -1.683 -14.343 1.00 39.47 O ATOM 0 H HIS A 70 -27.312 1.102 -16.155 1.00 73.32 H new ATOM 0 HA HIS A 70 -28.170 -0.852 -16.749 1.00 62.40 H new ATOM 0 HB2 HIS A 70 -25.331 -1.707 -17.346 1.00 73.23 H new ATOM 0 HB3 HIS A 70 -26.705 -2.782 -17.510 1.00 73.23 H new ATOM 0 HD2 HIS A 70 -25.453 0.588 -19.166 1.00 62.13 H new ATOM 0 HE1 HIS A 70 -28.041 -1.442 -21.841 1.00 74.45 H new ATOM 0 HE2 HIS A 70 -26.491 0.558 -21.557 1.00 60.03 H new TER 1098 HIS A 70