USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 39 HIS : no HD1:sc= 0.184 X(o=0.79,f=0.35) USER MOD Set 1.2: A 44 SER OG : rot 154:sc= 0.602 USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0861 K(o=-0.12,f=-1.5) USER MOD Set 2.2: A 23 GLN : amide:sc= -0.0332 K(o=-0.12,f=-1.7) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.0516 K(o=-0.2,f=-0.98) USER MOD Set 3.2: A 22 GLN : amide:sc= -0.148 X(o=-0.2,f=-0.16) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.428 K(o=0.25,f=-2.5) USER MOD Set 4.2: A 95 HIS : no HE2:sc= -0.178 K(o=0.25,f=-2.5!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0855 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -35:sc= 0.354 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 THR OG1 : rot 87:sc= 0.286 USER MOD Single : A 33 THR OG1 : rot 71:sc= -0.356 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -81:sc= -0.196 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 66 ASN : amide:sc= 0.445 K(o=0.44,f=-4!) USER MOD Single : A 67 THR OG1 : rot 72:sc= 0.191 USER MOD Single : A 69 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 70 HIS : no HD1:sc= -0.0963 X(o=-0.096,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.16! C(o=-2.2!,f=-3.5!) USER MOD Single : A 72 THR OG1 : rot -91:sc= -0.409! USER MOD Single : A 79 THR OG1 : rot 16:sc= 1.09 USER MOD Single : A 84 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-1.7) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.737 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 93 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot 93:sc= 0.0906 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -8.61! C(o=-8.6!,f=-14!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.015 -6.523 -17.270 1.00 4.47 N ATOM 2 CA GLY A 1 8.100 -6.622 -15.793 1.00 3.97 C ATOM 3 C GLY A 1 9.312 -5.894 -15.252 1.00 3.37 C ATOM 4 O GLY A 1 10.115 -5.367 -16.021 1.00 3.50 O ATOM 0 H1 GLY A 1 7.158 -5.997 -17.534 1.00 4.47 H new ATOM 0 H2 GLY A 1 8.853 -6.025 -17.633 1.00 4.47 H new ATOM 0 H3 GLY A 1 7.975 -7.478 -17.680 1.00 4.47 H new ATOM 0 HA2 GLY A 1 7.196 -6.205 -15.348 1.00 3.97 H new ATOM 0 HA3 GLY A 1 8.145 -7.671 -15.501 1.00 3.97 H new ATOM 10 N ALA A 2 9.445 -5.860 -13.933 1.00 3.02 N ATOM 11 CA ALA A 2 10.564 -5.177 -13.294 1.00 2.58 C ATOM 12 C ALA A 2 11.324 -6.121 -12.370 1.00 2.13 C ATOM 13 O ALA A 2 12.166 -5.681 -11.587 1.00 2.41 O ATOM 14 CB ALA A 2 10.072 -3.962 -12.523 1.00 2.87 C ATOM 0 H ALA A 2 8.792 -6.298 -13.283 1.00 3.02 H new ATOM 0 HA ALA A 2 11.248 -4.843 -14.074 1.00 2.58 H new ATOM 0 HB1 ALA A 2 10.919 -3.463 -12.052 1.00 2.87 H new ATOM 0 HB2 ALA A 2 9.579 -3.272 -13.208 1.00 2.87 H new ATOM 0 HB3 ALA A 2 9.365 -4.279 -11.756 1.00 2.87 H new ATOM 20 N ALA A 3 11.020 -7.415 -12.485 1.00 1.91 N ATOM 21 CA ALA A 3 11.617 -8.458 -11.648 1.00 1.62 C ATOM 22 C ALA A 3 11.258 -8.251 -10.179 1.00 1.42 C ATOM 23 O ALA A 3 10.281 -8.818 -9.686 1.00 1.97 O ATOM 24 CB ALA A 3 13.130 -8.525 -11.843 1.00 1.64 C ATOM 0 H ALA A 3 10.349 -7.771 -13.165 1.00 1.91 H new ATOM 0 HA ALA A 3 11.202 -9.416 -11.962 1.00 1.62 H new ATOM 0 HB1 ALA A 3 13.544 -9.308 -11.208 1.00 1.64 H new ATOM 0 HB2 ALA A 3 13.353 -8.747 -12.887 1.00 1.64 H new ATOM 0 HB3 ALA A 3 13.574 -7.567 -11.573 1.00 1.64 H new ATOM 30 N SER A 4 12.035 -7.433 -9.488 1.00 0.96 N ATOM 31 CA SER A 4 11.752 -7.097 -8.110 1.00 0.76 C ATOM 32 C SER A 4 11.424 -5.617 -7.993 1.00 0.67 C ATOM 33 O SER A 4 12.301 -4.767 -8.088 1.00 0.72 O ATOM 34 CB SER A 4 12.941 -7.450 -7.211 1.00 0.82 C ATOM 35 OG SER A 4 12.677 -7.119 -5.856 1.00 1.73 O ATOM 0 H SER A 4 12.872 -6.989 -9.866 1.00 0.96 H new ATOM 0 HA SER A 4 10.891 -7.679 -7.781 1.00 0.76 H new ATOM 0 HB2 SER A 4 13.158 -8.515 -7.292 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.829 -6.917 -7.552 1.00 0.82 H new ATOM 0 HG SER A 4 13.452 -7.356 -5.304 1.00 1.73 H new ATOM 41 N ALA A 5 10.157 -5.300 -7.801 1.00 0.62 N ATOM 42 CA ALA A 5 9.766 -3.920 -7.579 1.00 0.56 C ATOM 43 C ALA A 5 10.040 -3.521 -6.137 1.00 0.49 C ATOM 44 O ALA A 5 9.806 -2.389 -5.742 1.00 0.45 O ATOM 45 CB ALA A 5 8.304 -3.707 -7.931 1.00 0.59 C ATOM 0 H ALA A 5 9.389 -5.971 -7.794 1.00 0.62 H new ATOM 0 HA ALA A 5 10.362 -3.283 -8.233 1.00 0.56 H new ATOM 0 HB1 ALA A 5 8.036 -2.665 -7.756 1.00 0.59 H new ATOM 0 HB2 ALA A 5 8.143 -3.952 -8.981 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.682 -4.351 -7.309 1.00 0.59 H new ATOM 51 N ALA A 6 10.570 -4.455 -5.361 1.00 0.50 N ATOM 52 CA ALA A 6 10.929 -4.182 -3.978 1.00 0.46 C ATOM 53 C ALA A 6 12.299 -3.538 -3.915 1.00 0.48 C ATOM 54 O ALA A 6 12.681 -2.945 -2.909 1.00 0.56 O ATOM 55 CB ALA A 6 10.890 -5.462 -3.167 1.00 0.51 C ATOM 0 H ALA A 6 10.761 -5.409 -5.666 1.00 0.50 H new ATOM 0 HA ALA A 6 10.206 -3.487 -3.550 1.00 0.46 H new ATOM 0 HB1 ALA A 6 11.160 -5.246 -2.133 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.885 -5.882 -3.199 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.597 -6.179 -3.585 1.00 0.51 H new ATOM 61 N THR A 7 13.019 -3.636 -5.014 1.00 0.52 N ATOM 62 CA THR A 7 14.290 -2.962 -5.138 1.00 0.52 C ATOM 63 C THR A 7 14.095 -1.712 -5.982 1.00 0.50 C ATOM 64 O THR A 7 15.006 -0.901 -6.144 1.00 0.51 O ATOM 65 CB THR A 7 15.385 -3.872 -5.732 1.00 0.61 C ATOM 66 OG1 THR A 7 16.644 -3.181 -5.782 1.00 0.64 O ATOM 67 CG2 THR A 7 15.017 -4.360 -7.123 1.00 0.69 C ATOM 0 H THR A 7 12.743 -4.177 -5.833 1.00 0.52 H new ATOM 0 HA THR A 7 14.638 -2.688 -4.142 1.00 0.52 H new ATOM 0 HB THR A 7 15.473 -4.739 -5.078 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.490 -2.234 -5.981 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.813 -4.998 -7.507 1.00 0.69 H new ATOM 0 HG22 THR A 7 14.088 -4.928 -7.075 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.886 -3.505 -7.786 1.00 0.69 H new ATOM 75 N ASP A 8 12.875 -1.540 -6.489 1.00 0.49 N ATOM 76 CA ASP A 8 12.499 -0.327 -7.192 1.00 0.48 C ATOM 77 C ASP A 8 11.797 0.583 -6.222 1.00 0.40 C ATOM 78 O ASP A 8 11.983 1.789 -6.216 1.00 0.40 O ATOM 79 CB ASP A 8 11.532 -0.614 -8.328 1.00 0.54 C ATOM 80 CG ASP A 8 12.151 -0.432 -9.699 1.00 0.64 C ATOM 81 OD1 ASP A 8 12.928 -1.315 -10.125 1.00 0.75 O ATOM 82 OD2 ASP A 8 11.870 0.590 -10.357 1.00 0.73 O ATOM 0 H ASP A 8 12.130 -2.234 -6.422 1.00 0.49 H new ATOM 0 HA ASP A 8 13.404 0.123 -7.601 1.00 0.48 H new ATOM 0 HB2 ASP A 8 11.165 -1.636 -8.235 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.668 0.044 -8.236 1.00 0.54 H new ATOM 87 N LEU A 9 10.988 -0.021 -5.383 1.00 0.36 N ATOM 88 CA LEU A 9 10.255 0.722 -4.396 1.00 0.30 C ATOM 89 C LEU A 9 11.220 1.368 -3.444 1.00 0.28 C ATOM 90 O LEU A 9 11.247 2.583 -3.271 1.00 0.26 O ATOM 91 CB LEU A 9 9.351 -0.172 -3.587 1.00 0.29 C ATOM 92 CG LEU A 9 8.766 0.540 -2.383 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.760 1.584 -2.839 1.00 0.24 C ATOM 94 CD2 LEU A 9 8.184 -0.461 -1.407 1.00 0.26 C ATOM 0 H LEU A 9 10.824 -1.028 -5.368 1.00 0.36 H new ATOM 0 HA LEU A 9 9.653 1.463 -4.923 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.542 -0.535 -4.220 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.911 -1.045 -3.253 1.00 0.29 H new ATOM 0 HG LEU A 9 9.554 1.069 -1.847 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.343 2.092 -1.969 1.00 0.24 H new ATOM 0 HD12 LEU A 9 8.256 2.312 -3.481 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.958 1.098 -3.394 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.768 0.067 -0.549 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.396 -1.032 -1.898 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.968 -1.139 -1.071 1.00 0.26 H new ATOM 106 N ALA A 10 12.022 0.514 -2.840 1.00 0.31 N ATOM 107 CA ALA A 10 13.072 0.952 -1.940 1.00 0.32 C ATOM 108 C ALA A 10 14.129 1.761 -2.692 1.00 0.35 C ATOM 109 O ALA A 10 15.115 2.194 -2.106 1.00 0.39 O ATOM 110 CB ALA A 10 13.682 -0.247 -1.233 1.00 0.42 C ATOM 0 H ALA A 10 11.966 -0.498 -2.958 1.00 0.31 H new ATOM 0 HA ALA A 10 12.641 1.608 -1.184 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.470 0.090 -0.559 1.00 0.42 H new ATOM 0 HB2 ALA A 10 12.911 -0.763 -0.661 1.00 0.42 H new ATOM 0 HB3 ALA A 10 14.104 -0.929 -1.971 1.00 0.42 H new ATOM 116 N ALA A 11 13.901 1.970 -3.989 1.00 0.36 N ATOM 117 CA ALA A 11 14.714 2.865 -4.787 1.00 0.41 C ATOM 118 C ALA A 11 14.142 4.275 -4.734 1.00 0.39 C ATOM 119 O ALA A 11 14.895 5.247 -4.706 1.00 0.44 O ATOM 120 CB ALA A 11 14.790 2.378 -6.216 1.00 0.51 C ATOM 0 H ALA A 11 13.147 1.520 -4.508 1.00 0.36 H new ATOM 0 HA ALA A 11 15.724 2.881 -4.377 1.00 0.41 H new ATOM 0 HB1 ALA A 11 15.404 3.062 -6.801 1.00 0.51 H new ATOM 0 HB2 ALA A 11 15.233 1.383 -6.238 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.787 2.338 -6.641 1.00 0.51 H new ATOM 126 N ARG A 12 12.805 4.398 -4.727 1.00 0.36 N ATOM 127 CA ARG A 12 12.158 5.675 -4.460 1.00 0.41 C ATOM 128 C ARG A 12 12.528 6.144 -3.065 1.00 0.34 C ATOM 129 O ARG A 12 12.728 7.330 -2.808 1.00 0.38 O ATOM 130 CB ARG A 12 10.636 5.508 -4.512 1.00 0.54 C ATOM 131 CG ARG A 12 9.995 5.626 -5.875 1.00 0.68 C ATOM 132 CD ARG A 12 10.112 4.343 -6.664 1.00 0.64 C ATOM 133 NE ARG A 12 11.310 4.334 -7.505 1.00 1.29 N ATOM 134 CZ ARG A 12 11.514 3.487 -8.515 1.00 1.49 C ATOM 135 NH1 ARG A 12 10.614 2.552 -8.800 1.00 1.30 N ATOM 136 NH2 ARG A 12 12.621 3.576 -9.239 1.00 2.35 N ATOM 0 H ARG A 12 12.161 3.627 -4.903 1.00 0.36 H new ATOM 0 HA ARG A 12 12.484 6.397 -5.209 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.385 4.531 -4.100 1.00 0.54 H new ATOM 0 HB3 ARG A 12 10.187 6.255 -3.857 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.943 5.887 -5.760 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.466 6.438 -6.429 1.00 0.68 H new ATOM 0 HD2 ARG A 12 10.141 3.496 -5.979 1.00 0.64 H new ATOM 0 HD3 ARG A 12 9.228 4.218 -7.289 1.00 0.64 H new ATOM 0 HE ARG A 12 12.037 5.021 -7.305 1.00 1.29 H new ATOM 0 HH11 ARG A 12 9.761 2.479 -8.245 1.00 1.30 H new ATOM 0 HH12 ARG A 12 10.776 1.907 -9.574 1.00 1.30 H new ATOM 0 HH21 ARG A 12 13.315 4.291 -9.023 1.00 2.35 H new ATOM 0 HH22 ARG A 12 12.778 2.929 -10.012 1.00 2.35 H new ATOM 150 N LEU A 13 12.622 5.169 -2.182 1.00 0.29 N ATOM 151 CA LEU A 13 12.806 5.404 -0.762 1.00 0.28 C ATOM 152 C LEU A 13 14.268 5.640 -0.459 1.00 0.31 C ATOM 153 O LEU A 13 14.623 6.369 0.464 1.00 0.33 O ATOM 154 CB LEU A 13 12.303 4.192 0.017 1.00 0.27 C ATOM 155 CG LEU A 13 10.776 4.067 0.186 1.00 0.27 C ATOM 156 CD1 LEU A 13 10.038 4.363 -1.095 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.413 2.685 0.690 1.00 0.70 C ATOM 0 H LEU A 13 12.572 4.181 -2.432 1.00 0.29 H new ATOM 0 HA LEU A 13 12.241 6.288 -0.466 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.666 3.292 -0.480 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.755 4.212 1.009 1.00 0.27 H new ATOM 0 HG LEU A 13 10.469 4.811 0.921 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.965 4.263 -0.929 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.262 5.380 -1.417 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.353 3.661 -1.867 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.331 2.612 0.804 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.754 1.936 -0.025 1.00 0.70 H new ATOM 0 HD23 LEU A 13 10.892 2.512 1.653 1.00 0.70 H new ATOM 169 N ASN A 14 15.100 4.972 -1.223 1.00 0.35 N ATOM 170 CA ASN A 14 16.545 5.131 -1.156 1.00 0.41 C ATOM 171 C ASN A 14 16.942 6.594 -1.250 1.00 0.43 C ATOM 172 O ASN A 14 16.551 7.300 -2.179 1.00 0.84 O ATOM 173 CB ASN A 14 17.156 4.342 -2.303 1.00 0.52 C ATOM 174 CG ASN A 14 18.254 3.397 -1.866 1.00 0.81 C ATOM 175 OD1 ASN A 14 19.088 3.729 -1.022 1.00 1.39 O ATOM 176 ND2 ASN A 14 18.233 2.190 -2.411 1.00 0.65 N ATOM 0 H ASN A 14 14.795 4.292 -1.920 1.00 0.35 H new ATOM 0 HA ASN A 14 16.911 4.759 -0.199 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.372 3.771 -2.799 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.558 5.038 -3.039 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.925 1.494 -2.135 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.524 1.957 -3.107 1.00 0.65 H new ATOM 183 N GLY A 15 17.703 7.043 -0.270 1.00 0.48 N ATOM 184 CA GLY A 15 18.102 8.432 -0.215 1.00 0.49 C ATOM 185 C GLY A 15 17.211 9.228 0.707 1.00 0.46 C ATOM 186 O GLY A 15 17.654 10.177 1.355 1.00 0.56 O ATOM 0 H GLY A 15 18.055 6.467 0.495 1.00 0.48 H new ATOM 0 HA2 GLY A 15 19.135 8.502 0.126 1.00 0.49 H new ATOM 0 HA3 GLY A 15 18.067 8.861 -1.216 1.00 0.49 H new ATOM 190 N LEU A 16 15.954 8.822 0.773 1.00 0.38 N ATOM 191 CA LEU A 16 14.960 9.504 1.576 1.00 0.35 C ATOM 192 C LEU A 16 15.009 9.066 3.029 1.00 0.35 C ATOM 193 O LEU A 16 15.580 8.032 3.372 1.00 0.37 O ATOM 194 CB LEU A 16 13.562 9.238 1.017 1.00 0.32 C ATOM 195 CG LEU A 16 13.178 10.074 -0.190 1.00 0.35 C ATOM 196 CD1 LEU A 16 11.782 9.711 -0.679 1.00 0.94 C ATOM 197 CD2 LEU A 16 13.262 11.539 0.179 1.00 0.82 C ATOM 0 H LEU A 16 15.597 8.010 0.270 1.00 0.38 H new ATOM 0 HA LEU A 16 15.184 10.570 1.534 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.491 8.184 0.747 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.833 9.414 1.808 1.00 0.32 H new ATOM 0 HG LEU A 16 13.870 9.870 -1.007 1.00 0.35 H new ATOM 0 HD11 LEU A 16 11.529 10.323 -1.545 1.00 0.94 H new ATOM 0 HD12 LEU A 16 11.757 8.658 -0.960 1.00 0.94 H new ATOM 0 HD13 LEU A 16 11.059 9.892 0.117 1.00 0.94 H new ATOM 0 HD21 LEU A 16 12.988 12.148 -0.683 1.00 0.82 H new ATOM 0 HD22 LEU A 16 12.578 11.747 1.002 1.00 0.82 H new ATOM 0 HD23 LEU A 16 14.281 11.780 0.484 1.00 0.82 H new ATOM 209 N SER A 17 14.396 9.878 3.868 1.00 0.35 N ATOM 210 CA SER A 17 14.240 9.572 5.273 1.00 0.37 C ATOM 211 C SER A 17 12.988 8.727 5.473 1.00 0.33 C ATOM 212 O SER A 17 12.069 8.802 4.666 1.00 0.31 O ATOM 213 CB SER A 17 14.142 10.876 6.057 1.00 0.39 C ATOM 214 OG SER A 17 15.334 11.638 5.928 1.00 1.08 O ATOM 0 H SER A 17 13.991 10.772 3.591 1.00 0.35 H new ATOM 0 HA SER A 17 15.099 9.006 5.633 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.293 11.458 5.697 1.00 0.39 H new ATOM 0 HB3 SER A 17 13.957 10.659 7.109 1.00 0.39 H new ATOM 0 HG SER A 17 15.247 12.470 6.438 1.00 1.08 H new ATOM 220 N PRO A 18 12.968 7.888 6.525 1.00 0.36 N ATOM 221 CA PRO A 18 11.844 7.029 6.899 1.00 0.35 C ATOM 222 C PRO A 18 10.462 7.575 6.517 1.00 0.31 C ATOM 223 O PRO A 18 9.707 6.913 5.802 1.00 0.29 O ATOM 224 CB PRO A 18 11.983 6.937 8.421 1.00 0.39 C ATOM 225 CG PRO A 18 13.355 7.437 8.745 1.00 0.42 C ATOM 226 CD PRO A 18 14.072 7.670 7.449 1.00 0.45 C ATOM 0 HA PRO A 18 11.889 6.077 6.371 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.222 7.538 8.919 1.00 0.39 H new ATOM 0 HB3 PRO A 18 11.852 5.910 8.763 1.00 0.39 H new ATOM 0 HG2 PRO A 18 13.299 8.360 9.323 1.00 0.42 H new ATOM 0 HG3 PRO A 18 13.893 6.711 9.355 1.00 0.42 H new ATOM 0 HD2 PRO A 18 14.737 8.532 7.500 1.00 0.45 H new ATOM 0 HD3 PRO A 18 14.682 6.814 7.161 1.00 0.45 H new ATOM 234 N GLN A 19 10.145 8.780 6.977 1.00 0.32 N ATOM 235 CA GLN A 19 8.833 9.382 6.729 1.00 0.32 C ATOM 236 C GLN A 19 8.648 9.728 5.252 1.00 0.29 C ATOM 237 O GLN A 19 7.555 9.585 4.707 1.00 0.28 O ATOM 238 CB GLN A 19 8.656 10.634 7.577 1.00 0.36 C ATOM 239 CG GLN A 19 7.238 11.158 7.546 1.00 0.71 C ATOM 240 CD GLN A 19 6.281 10.283 8.330 1.00 1.28 C ATOM 241 OE1 GLN A 19 6.660 9.653 9.317 1.00 2.00 O ATOM 242 NE2 GLN A 19 5.032 10.235 7.895 1.00 2.04 N ATOM 0 H GLN A 19 10.778 9.363 7.525 1.00 0.32 H new ATOM 0 HA GLN A 19 8.076 8.648 7.005 1.00 0.32 H new ATOM 0 HB2 GLN A 19 8.936 10.414 8.607 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.334 11.409 7.221 1.00 0.36 H new ATOM 0 HG2 GLN A 19 7.218 12.169 7.953 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.901 11.224 6.512 1.00 0.71 H new ATOM 0 HE21 GLN A 19 4.757 10.772 7.073 1.00 2.04 H new ATOM 0 HE22 GLN A 19 4.344 9.661 8.382 1.00 2.04 H new ATOM 251 N GLN A 20 9.723 10.150 4.602 1.00 0.28 N ATOM 252 CA GLN A 20 9.687 10.485 3.178 1.00 0.27 C ATOM 253 C GLN A 20 9.453 9.217 2.370 1.00 0.24 C ATOM 254 O GLN A 20 8.652 9.182 1.435 1.00 0.23 O ATOM 255 CB GLN A 20 11.019 11.099 2.746 1.00 0.30 C ATOM 256 CG GLN A 20 11.301 12.478 3.307 1.00 0.37 C ATOM 257 CD GLN A 20 10.335 13.530 2.808 1.00 0.95 C ATOM 258 OE1 GLN A 20 9.858 13.466 1.676 1.00 1.78 O ATOM 259 NE2 GLN A 20 10.031 14.500 3.655 1.00 1.68 N ATOM 0 H GLN A 20 10.638 10.270 5.037 1.00 0.28 H new ATOM 0 HA GLN A 20 8.883 11.201 3.005 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.825 10.429 3.046 1.00 0.30 H new ATOM 0 HB3 GLN A 20 11.040 11.155 1.658 1.00 0.30 H new ATOM 0 HG2 GLN A 20 11.255 12.438 4.395 1.00 0.37 H new ATOM 0 HG3 GLN A 20 12.317 12.771 3.042 1.00 0.37 H new ATOM 0 HE21 GLN A 20 10.450 14.515 4.585 1.00 1.68 H new ATOM 0 HE22 GLN A 20 9.378 15.233 3.378 1.00 1.68 H new ATOM 268 N GLN A 21 10.191 8.187 2.754 1.00 0.24 N ATOM 269 CA GLN A 21 10.055 6.851 2.196 1.00 0.22 C ATOM 270 C GLN A 21 8.630 6.362 2.355 1.00 0.21 C ATOM 271 O GLN A 21 8.049 5.765 1.450 1.00 0.25 O ATOM 272 CB GLN A 21 10.999 5.918 2.950 1.00 0.25 C ATOM 273 CG GLN A 21 12.464 6.261 2.776 1.00 0.28 C ATOM 274 CD GLN A 21 13.362 5.345 3.579 1.00 0.35 C ATOM 275 OE1 GLN A 21 12.967 4.835 4.628 1.00 1.22 O ATOM 276 NE2 GLN A 21 14.569 5.128 3.091 1.00 1.06 N ATOM 0 H GLN A 21 10.912 8.257 3.472 1.00 0.24 H new ATOM 0 HA GLN A 21 10.302 6.868 1.134 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.752 5.946 4.011 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.832 4.896 2.611 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.729 6.194 1.721 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.633 7.293 3.082 1.00 0.28 H new ATOM 0 HE21 GLN A 21 14.854 5.572 2.218 1.00 1.06 H new ATOM 0 HE22 GLN A 21 15.217 4.516 3.587 1.00 1.06 H new ATOM 285 N GLN A 22 8.084 6.630 3.524 1.00 0.21 N ATOM 286 CA GLN A 22 6.726 6.261 3.841 1.00 0.21 C ATOM 287 C GLN A 22 5.758 6.947 2.891 1.00 0.18 C ATOM 288 O GLN A 22 4.834 6.322 2.404 1.00 0.17 O ATOM 289 CB GLN A 22 6.422 6.638 5.283 1.00 0.27 C ATOM 290 CG GLN A 22 5.122 6.086 5.804 1.00 0.46 C ATOM 291 CD GLN A 22 4.367 7.069 6.671 1.00 0.92 C ATOM 292 OE1 GLN A 22 4.538 7.101 7.888 1.00 1.56 O ATOM 293 NE2 GLN A 22 3.528 7.878 6.049 1.00 1.60 N ATOM 0 H GLN A 22 8.573 7.110 4.279 1.00 0.21 H new ATOM 0 HA GLN A 22 6.608 5.184 3.725 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.234 6.285 5.918 1.00 0.27 H new ATOM 0 HB3 GLN A 22 6.402 7.725 5.366 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.494 5.796 4.962 1.00 0.46 H new ATOM 0 HG3 GLN A 22 5.322 5.182 6.379 1.00 0.46 H new ATOM 0 HE21 GLN A 22 3.417 7.817 5.037 1.00 1.60 H new ATOM 0 HE22 GLN A 22 2.991 8.563 6.581 1.00 1.60 H new ATOM 302 N GLN A 23 6.008 8.223 2.611 1.00 0.19 N ATOM 303 CA GLN A 23 5.156 9.032 1.737 1.00 0.18 C ATOM 304 C GLN A 23 4.984 8.438 0.351 1.00 0.15 C ATOM 305 O GLN A 23 3.914 8.531 -0.233 1.00 0.15 O ATOM 306 CB GLN A 23 5.740 10.407 1.593 1.00 0.20 C ATOM 307 CG GLN A 23 5.726 11.187 2.888 1.00 0.24 C ATOM 308 CD GLN A 23 6.321 12.569 2.749 1.00 0.30 C ATOM 309 OE1 GLN A 23 7.208 12.798 1.929 1.00 1.05 O ATOM 310 NE2 GLN A 23 5.827 13.505 3.541 1.00 1.24 N ATOM 0 H GLN A 23 6.811 8.730 2.985 1.00 0.19 H new ATOM 0 HA GLN A 23 4.174 9.064 2.209 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.766 10.325 1.234 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.181 10.957 0.836 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.699 11.273 3.243 1.00 0.24 H new ATOM 0 HG3 GLN A 23 6.280 10.633 3.646 1.00 0.24 H new ATOM 0 HE21 GLN A 23 5.091 13.273 4.208 1.00 1.24 H new ATOM 0 HE22 GLN A 23 6.182 14.460 3.485 1.00 1.24 H new ATOM 319 N THR A 24 6.046 7.869 -0.183 1.00 0.15 N ATOM 320 CA THR A 24 5.990 7.208 -1.473 1.00 0.14 C ATOM 321 C THR A 24 4.941 6.101 -1.463 1.00 0.12 C ATOM 322 O THR A 24 4.148 5.979 -2.393 1.00 0.12 O ATOM 323 CB THR A 24 7.373 6.649 -1.820 1.00 0.16 C ATOM 324 OG1 THR A 24 8.213 7.702 -2.309 1.00 0.19 O ATOM 325 CG2 THR A 24 7.284 5.529 -2.842 1.00 0.17 C ATOM 0 H THR A 24 6.965 7.851 0.260 1.00 0.15 H new ATOM 0 HA THR A 24 5.701 7.931 -2.235 1.00 0.14 H new ATOM 0 HB THR A 24 7.806 6.231 -0.911 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.153 7.436 -2.227 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.285 5.158 -3.063 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.676 4.718 -2.441 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.827 5.907 -3.757 1.00 0.17 H new ATOM 333 N LEU A 25 4.907 5.332 -0.391 1.00 0.12 N ATOM 334 CA LEU A 25 3.873 4.324 -0.223 1.00 0.11 C ATOM 335 C LEU A 25 2.583 5.011 0.160 1.00 0.11 C ATOM 336 O LEU A 25 1.521 4.701 -0.341 1.00 0.10 O ATOM 337 CB LEU A 25 4.258 3.368 0.880 1.00 0.12 C ATOM 338 CG LEU A 25 5.548 2.603 0.667 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.165 2.287 2.013 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.273 1.332 -0.116 1.00 0.39 C ATOM 0 H LEU A 25 5.579 5.384 0.374 1.00 0.12 H new ATOM 0 HA LEU A 25 3.752 3.772 -1.155 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.340 3.930 1.810 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.449 2.650 1.012 1.00 0.12 H new ATOM 0 HG LEU A 25 6.248 3.209 0.092 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.094 1.736 1.867 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.373 3.215 2.545 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.472 1.682 2.598 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.205 0.788 -0.265 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.573 0.707 0.439 1.00 0.39 H new ATOM 0 HD23 LEU A 25 4.843 1.587 -1.085 1.00 0.39 H new ATOM 352 N ALA A 26 2.711 5.988 1.028 1.00 0.12 N ATOM 353 CA ALA A 26 1.589 6.775 1.513 1.00 0.13 C ATOM 354 C ALA A 26 0.990 7.640 0.403 1.00 0.13 C ATOM 355 O ALA A 26 0.114 8.474 0.631 1.00 0.16 O ATOM 356 CB ALA A 26 2.068 7.621 2.685 1.00 0.16 C ATOM 0 H ALA A 26 3.608 6.266 1.426 1.00 0.12 H new ATOM 0 HA ALA A 26 0.792 6.110 1.845 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.240 8.220 3.064 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.437 6.970 3.477 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.871 8.280 2.354 1.00 0.16 H new ATOM 362 N THR A 27 1.486 7.410 -0.796 1.00 0.12 N ATOM 363 CA THR A 27 1.008 8.042 -1.993 1.00 0.12 C ATOM 364 C THR A 27 0.610 6.965 -2.994 1.00 0.11 C ATOM 365 O THR A 27 -0.468 7.000 -3.569 1.00 0.11 O ATOM 366 CB THR A 27 2.108 8.943 -2.587 1.00 0.15 C ATOM 367 OG1 THR A 27 2.173 10.179 -1.865 1.00 0.20 O ATOM 368 CG2 THR A 27 1.894 9.196 -4.069 1.00 0.15 C ATOM 0 H THR A 27 2.254 6.759 -0.961 1.00 0.12 H new ATOM 0 HA THR A 27 0.142 8.662 -1.763 1.00 0.12 H new ATOM 0 HB THR A 27 3.059 8.421 -2.485 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.770 10.077 -1.095 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.691 9.835 -4.448 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.904 8.247 -4.605 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.933 9.687 -4.219 1.00 0.15 H new ATOM 376 N LEU A 28 1.495 5.994 -3.153 1.00 0.09 N ATOM 377 CA LEU A 28 1.301 4.879 -4.052 1.00 0.09 C ATOM 378 C LEU A 28 0.227 3.938 -3.555 1.00 0.08 C ATOM 379 O LEU A 28 -0.604 3.470 -4.318 1.00 0.08 O ATOM 380 CB LEU A 28 2.595 4.107 -4.183 1.00 0.10 C ATOM 381 CG LEU A 28 2.398 2.645 -4.546 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.461 2.434 -6.043 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.384 1.771 -3.801 1.00 0.49 C ATOM 0 H LEU A 28 2.382 5.963 -2.650 1.00 0.09 H new ATOM 0 HA LEU A 28 0.989 5.282 -5.016 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.215 4.581 -4.944 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.142 4.168 -3.242 1.00 0.10 H new ATOM 0 HG LEU A 28 1.398 2.347 -4.232 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.316 1.377 -6.268 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.678 3.018 -6.526 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.434 2.754 -6.415 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.226 0.728 -4.076 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.401 2.065 -4.063 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.237 1.890 -2.728 1.00 0.49 H new ATOM 395 N VAL A 29 0.274 3.650 -2.279 1.00 0.08 N ATOM 396 CA VAL A 29 -0.676 2.749 -1.656 1.00 0.09 C ATOM 397 C VAL A 29 -2.060 3.359 -1.705 1.00 0.08 C ATOM 398 O VAL A 29 -3.073 2.674 -1.863 1.00 0.09 O ATOM 399 CB VAL A 29 -0.283 2.459 -0.197 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.414 1.769 0.545 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.981 1.618 -0.168 1.00 0.10 C ATOM 0 H VAL A 29 0.970 4.031 -1.638 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.672 1.807 -2.204 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.090 3.404 0.311 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.110 1.576 1.574 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.296 2.410 0.542 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.650 0.825 0.053 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.258 1.413 0.866 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.804 0.677 -0.689 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.789 2.159 -0.660 1.00 0.10 H new ATOM 411 N ALA A 30 -2.085 4.663 -1.598 1.00 0.08 N ATOM 412 CA ALA A 30 -3.311 5.404 -1.699 1.00 0.08 C ATOM 413 C ALA A 30 -3.696 5.578 -3.148 1.00 0.09 C ATOM 414 O ALA A 30 -4.858 5.680 -3.474 1.00 0.10 O ATOM 415 CB ALA A 30 -3.147 6.741 -1.037 1.00 0.08 C ATOM 0 H ALA A 30 -1.257 5.237 -1.439 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.106 4.854 -1.195 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.078 7.302 -1.115 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -2.896 6.598 0.014 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.348 7.295 -1.529 1.00 0.08 H new ATOM 421 N ALA A 31 -2.695 5.632 -4.003 1.00 0.08 N ATOM 422 CA ALA A 31 -2.898 5.653 -5.440 1.00 0.09 C ATOM 423 C ALA A 31 -3.510 4.332 -5.862 1.00 0.09 C ATOM 424 O ALA A 31 -4.391 4.259 -6.718 1.00 0.11 O ATOM 425 CB ALA A 31 -1.569 5.893 -6.141 1.00 0.10 C ATOM 0 H ALA A 31 -1.715 5.663 -3.722 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.574 6.461 -5.718 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.724 5.908 -7.220 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.156 6.849 -5.820 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.873 5.093 -5.886 1.00 0.10 H new ATOM 431 N ALA A 32 -3.017 3.292 -5.221 1.00 0.09 N ATOM 432 CA ALA A 32 -3.555 1.957 -5.335 1.00 0.10 C ATOM 433 C ALA A 32 -5.014 1.922 -4.902 1.00 0.09 C ATOM 434 O ALA A 32 -5.864 1.369 -5.599 1.00 0.10 O ATOM 435 CB ALA A 32 -2.724 1.025 -4.477 1.00 0.12 C ATOM 0 H ALA A 32 -2.215 3.355 -4.594 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.513 1.636 -6.376 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.119 0.012 -4.553 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.690 1.038 -4.821 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.765 1.353 -3.438 1.00 0.12 H new ATOM 441 N THR A 33 -5.314 2.530 -3.758 1.00 0.08 N ATOM 442 CA THR A 33 -6.680 2.549 -3.274 1.00 0.07 C ATOM 443 C THR A 33 -7.497 3.603 -4.024 1.00 0.08 C ATOM 444 O THR A 33 -8.726 3.561 -4.060 1.00 0.10 O ATOM 445 CB THR A 33 -6.736 2.813 -1.762 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.766 1.999 -1.088 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.123 2.507 -1.218 1.00 0.09 C ATOM 0 H THR A 33 -4.638 3.007 -3.161 1.00 0.08 H new ATOM 0 HA THR A 33 -7.112 1.566 -3.460 1.00 0.07 H new ATOM 0 HB THR A 33 -6.513 3.865 -1.586 1.00 0.08 H new ATOM 0 HG1 THR A 33 -4.865 2.328 -1.291 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.144 2.700 -0.145 1.00 0.09 H new ATOM 0 HG22 THR A 33 -8.857 3.141 -1.715 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.364 1.460 -1.403 1.00 0.09 H new ATOM 455 N ALA A 34 -6.812 4.545 -4.636 1.00 0.08 N ATOM 456 CA ALA A 34 -7.462 5.501 -5.501 1.00 0.09 C ATOM 457 C ALA A 34 -7.974 4.771 -6.730 1.00 0.11 C ATOM 458 O ALA A 34 -9.023 5.092 -7.272 1.00 0.20 O ATOM 459 CB ALA A 34 -6.503 6.626 -5.870 1.00 0.10 C ATOM 0 H ALA A 34 -5.803 4.668 -4.549 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.306 5.961 -4.987 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.010 7.337 -6.522 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.174 7.135 -4.964 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.638 6.212 -6.388 1.00 0.10 H new ATOM 465 N THR A 35 -7.244 3.736 -7.108 1.00 0.11 N ATOM 466 CA THR A 35 -7.601 2.899 -8.218 1.00 0.12 C ATOM 467 C THR A 35 -8.815 2.032 -7.880 1.00 0.11 C ATOM 468 O THR A 35 -9.824 2.056 -8.589 1.00 0.14 O ATOM 469 CB THR A 35 -6.406 2.001 -8.580 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.536 2.674 -9.498 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.879 0.679 -9.142 1.00 0.17 C ATOM 0 H THR A 35 -6.380 3.458 -6.642 1.00 0.11 H new ATOM 0 HA THR A 35 -7.860 3.533 -9.066 1.00 0.12 H new ATOM 0 HB THR A 35 -5.842 1.791 -7.671 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.779 2.092 -9.718 1.00 0.22 H new ATOM 0 HG21 THR A 35 -6.017 0.060 -9.391 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.491 0.167 -8.400 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.470 0.856 -10.041 1.00 0.17 H new ATOM 479 N VAL A 36 -8.710 1.291 -6.779 1.00 0.10 N ATOM 480 CA VAL A 36 -9.713 0.299 -6.403 1.00 0.11 C ATOM 481 C VAL A 36 -11.118 0.885 -6.333 1.00 0.13 C ATOM 482 O VAL A 36 -12.092 0.227 -6.694 1.00 0.17 O ATOM 483 CB VAL A 36 -9.376 -0.357 -5.047 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.210 -1.309 -5.157 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.112 0.675 -3.994 1.00 0.16 C ATOM 0 H VAL A 36 -7.930 1.361 -6.125 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.693 -0.455 -7.190 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.251 -0.936 -4.750 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -8.006 -1.749 -4.181 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.451 -2.099 -5.868 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.329 -0.767 -5.502 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -8.878 0.181 -3.051 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.270 1.297 -4.297 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -9.996 1.299 -3.867 1.00 0.16 H new ATOM 495 N LEU A 37 -11.216 2.130 -5.896 1.00 0.12 N ATOM 496 CA LEU A 37 -12.513 2.746 -5.649 1.00 0.16 C ATOM 497 C LEU A 37 -13.021 3.520 -6.863 1.00 0.25 C ATOM 498 O LEU A 37 -14.005 4.250 -6.770 1.00 0.65 O ATOM 499 CB LEU A 37 -12.401 3.683 -4.456 1.00 0.15 C ATOM 500 CG LEU A 37 -11.647 3.104 -3.266 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.373 4.182 -2.245 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.425 1.959 -2.650 1.00 0.15 C ATOM 0 H LEU A 37 -10.416 2.734 -5.705 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.230 1.951 -5.444 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -11.903 4.599 -4.775 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.404 3.962 -4.134 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.691 2.713 -3.614 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -10.834 3.754 -1.400 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -10.771 4.969 -2.699 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.317 4.603 -1.898 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -11.871 1.558 -1.801 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.396 2.320 -2.312 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.568 1.175 -3.393 1.00 0.15 H new ATOM 514 N GLY A 38 -12.347 3.371 -7.996 1.00 0.43 N ATOM 515 CA GLY A 38 -12.771 4.062 -9.202 1.00 0.49 C ATOM 516 C GLY A 38 -12.284 5.497 -9.266 1.00 0.51 C ATOM 517 O GLY A 38 -12.505 6.190 -10.261 1.00 0.62 O ATOM 0 H GLY A 38 -11.518 2.787 -8.103 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -12.403 3.520 -10.073 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.860 4.051 -9.257 1.00 0.49 H new ATOM 521 N HIS A 39 -11.619 5.942 -8.209 1.00 0.57 N ATOM 522 CA HIS A 39 -11.052 7.287 -8.161 1.00 0.68 C ATOM 523 C HIS A 39 -9.784 7.325 -9.007 1.00 0.82 C ATOM 524 O HIS A 39 -9.540 6.423 -9.811 1.00 1.81 O ATOM 525 CB HIS A 39 -10.733 7.691 -6.713 1.00 0.65 C ATOM 526 CG HIS A 39 -11.938 7.908 -5.846 1.00 0.73 C ATOM 527 ND1 HIS A 39 -12.170 9.083 -5.165 1.00 1.09 N ATOM 528 CD2 HIS A 39 -12.971 7.087 -5.530 1.00 0.67 C ATOM 529 CE1 HIS A 39 -13.287 8.976 -4.469 1.00 1.15 C ATOM 530 NE2 HIS A 39 -13.792 7.775 -4.674 1.00 0.88 N ATOM 0 H HIS A 39 -11.457 5.389 -7.367 1.00 0.57 H new ATOM 0 HA HIS A 39 -11.780 7.995 -8.557 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.112 6.917 -6.262 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -10.142 8.607 -6.727 1.00 0.65 H new ATOM 0 HD2 HIS A 39 -13.119 6.078 -5.887 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -13.714 9.742 -3.839 1.00 1.15 H new ATOM 0 HE2 HIS A 39 -14.654 7.416 -4.263 1.00 0.88 H new ATOM 539 N HIS A 40 -8.976 8.356 -8.842 1.00 0.53 N ATOM 540 CA HIS A 40 -7.721 8.423 -9.566 1.00 0.48 C ATOM 541 C HIS A 40 -6.618 8.997 -8.689 1.00 0.45 C ATOM 542 O HIS A 40 -5.517 8.452 -8.642 1.00 0.59 O ATOM 543 CB HIS A 40 -7.867 9.256 -10.839 1.00 0.58 C ATOM 544 CG HIS A 40 -6.925 8.842 -11.928 1.00 0.73 C ATOM 545 ND1 HIS A 40 -7.252 8.915 -13.263 1.00 1.35 N ATOM 546 CD2 HIS A 40 -5.664 8.341 -11.878 1.00 0.62 C ATOM 547 CE1 HIS A 40 -6.241 8.475 -13.987 1.00 1.46 C ATOM 548 NE2 HIS A 40 -5.266 8.123 -13.172 1.00 0.94 N ATOM 0 H HIS A 40 -9.162 9.146 -8.224 1.00 0.53 H new ATOM 0 HA HIS A 40 -7.447 7.406 -9.848 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -8.891 9.174 -11.203 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -7.696 10.306 -10.600 1.00 0.58 H new ATOM 0 HD2 HIS A 40 -5.084 8.150 -10.987 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -6.216 8.413 -15.065 1.00 1.46 H new ATOM 0 HE2 HIS A 40 -4.361 7.749 -13.458 1.00 0.94 H new ATOM 557 N THR A 41 -6.900 10.088 -7.992 1.00 0.46 N ATOM 558 CA THR A 41 -5.881 10.705 -7.166 1.00 0.55 C ATOM 559 C THR A 41 -5.925 10.184 -5.733 1.00 0.37 C ATOM 560 O THR A 41 -6.994 9.962 -5.153 1.00 0.45 O ATOM 561 CB THR A 41 -5.964 12.246 -7.152 1.00 0.92 C ATOM 562 OG1 THR A 41 -4.860 12.796 -6.424 1.00 1.97 O ATOM 563 CG2 THR A 41 -7.251 12.723 -6.515 1.00 0.56 C ATOM 0 H THR A 41 -7.807 10.554 -7.983 1.00 0.46 H new ATOM 0 HA THR A 41 -4.932 10.426 -7.623 1.00 0.55 H new ATOM 0 HB THR A 41 -5.935 12.583 -8.188 1.00 0.92 H new ATOM 0 HG1 THR A 41 -4.923 13.774 -6.424 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.278 13.813 -6.521 1.00 0.56 H new ATOM 0 HG22 THR A 41 -8.101 12.336 -7.077 1.00 0.56 H new ATOM 0 HG23 THR A 41 -7.303 12.364 -5.487 1.00 0.56 H new ATOM 571 N PRO A 42 -4.734 9.992 -5.161 1.00 0.24 N ATOM 572 CA PRO A 42 -4.542 9.562 -3.774 1.00 0.27 C ATOM 573 C PRO A 42 -4.965 10.636 -2.788 1.00 0.40 C ATOM 574 O PRO A 42 -5.106 10.378 -1.596 1.00 0.50 O ATOM 575 CB PRO A 42 -3.032 9.340 -3.650 1.00 0.31 C ATOM 576 CG PRO A 42 -2.487 9.416 -5.033 1.00 0.29 C ATOM 577 CD PRO A 42 -3.467 10.204 -5.850 1.00 0.27 C ATOM 0 HA PRO A 42 -5.138 8.677 -3.550 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.578 10.097 -3.011 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -2.817 8.371 -3.199 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.509 9.897 -5.036 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.353 8.418 -5.450 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.202 11.261 -5.886 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.506 9.850 -6.880 1.00 0.27 H new ATOM 585 N GLU A 43 -5.147 11.845 -3.299 1.00 0.43 N ATOM 586 CA GLU A 43 -5.542 12.979 -2.474 1.00 0.55 C ATOM 587 C GLU A 43 -6.922 12.767 -1.859 1.00 0.52 C ATOM 588 O GLU A 43 -7.222 13.298 -0.792 1.00 0.61 O ATOM 589 CB GLU A 43 -5.510 14.265 -3.290 1.00 0.68 C ATOM 590 CG GLU A 43 -4.107 14.663 -3.682 1.00 0.69 C ATOM 591 CD GLU A 43 -3.202 14.864 -2.485 1.00 1.18 C ATOM 592 OE1 GLU A 43 -3.153 15.992 -1.958 1.00 1.38 O ATOM 593 OE2 GLU A 43 -2.530 13.898 -2.064 1.00 1.82 O ATOM 0 H GLU A 43 -5.027 12.067 -4.287 1.00 0.43 H new ATOM 0 HA GLU A 43 -4.826 13.065 -1.657 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -6.113 14.137 -4.189 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -5.965 15.070 -2.713 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -3.683 13.895 -4.328 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -4.144 15.584 -4.264 1.00 0.69 H new ATOM 600 N SER A 44 -7.750 11.977 -2.529 1.00 0.44 N ATOM 601 CA SER A 44 -9.074 11.655 -2.014 1.00 0.43 C ATOM 602 C SER A 44 -8.992 10.474 -1.049 1.00 0.35 C ATOM 603 O SER A 44 -9.912 10.211 -0.274 1.00 0.49 O ATOM 604 CB SER A 44 -10.028 11.337 -3.171 1.00 0.50 C ATOM 605 OG SER A 44 -9.557 10.249 -3.954 1.00 0.97 O ATOM 0 H SER A 44 -7.529 11.548 -3.428 1.00 0.44 H new ATOM 0 HA SER A 44 -9.461 12.518 -1.472 1.00 0.43 H new ATOM 0 HB2 SER A 44 -11.015 11.100 -2.774 1.00 0.50 H new ATOM 0 HB3 SER A 44 -10.141 12.218 -3.802 1.00 0.50 H new ATOM 0 HG SER A 44 -10.316 9.804 -4.386 1.00 0.97 H new ATOM 611 N ILE A 45 -7.867 9.782 -1.101 1.00 0.19 N ATOM 612 CA ILE A 45 -7.649 8.596 -0.295 1.00 0.13 C ATOM 613 C ILE A 45 -7.009 8.964 1.037 1.00 0.13 C ATOM 614 O ILE A 45 -5.784 9.027 1.158 1.00 0.19 O ATOM 615 CB ILE A 45 -6.749 7.595 -1.040 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.301 7.340 -2.442 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.615 6.285 -0.270 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.729 6.839 -2.468 1.00 0.11 C ATOM 0 H ILE A 45 -7.081 10.027 -1.703 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.618 8.133 -0.108 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.753 8.030 -1.123 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.242 8.264 -3.017 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.664 6.612 -2.944 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -5.973 5.601 -0.825 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.177 6.481 0.708 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.600 5.835 -0.143 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.042 6.684 -3.501 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.794 5.897 -1.924 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.381 7.575 -1.998 1.00 0.11 H new ATOM 630 N SER A 46 -7.844 9.228 2.027 1.00 0.11 N ATOM 631 CA SER A 46 -7.361 9.542 3.356 1.00 0.12 C ATOM 632 C SER A 46 -6.788 8.284 4.006 1.00 0.11 C ATOM 633 O SER A 46 -7.285 7.181 3.773 1.00 0.12 O ATOM 634 CB SER A 46 -8.493 10.121 4.193 1.00 0.16 C ATOM 635 OG SER A 46 -9.271 11.028 3.427 1.00 1.18 O ATOM 0 H SER A 46 -8.860 9.231 1.933 1.00 0.11 H new ATOM 0 HA SER A 46 -6.568 10.287 3.291 1.00 0.12 H new ATOM 0 HB2 SER A 46 -9.126 9.315 4.564 1.00 0.16 H new ATOM 0 HB3 SER A 46 -8.083 10.632 5.064 1.00 0.16 H new ATOM 0 HG SER A 46 -9.994 11.388 3.982 1.00 1.18 H new ATOM 641 N PRO A 47 -5.769 8.434 4.861 1.00 0.12 N ATOM 642 CA PRO A 47 -4.963 7.327 5.349 1.00 0.12 C ATOM 643 C PRO A 47 -5.489 6.763 6.644 1.00 0.10 C ATOM 644 O PRO A 47 -5.049 5.714 7.103 1.00 0.11 O ATOM 645 CB PRO A 47 -3.623 8.011 5.582 1.00 0.15 C ATOM 646 CG PRO A 47 -3.987 9.377 6.065 1.00 0.17 C ATOM 647 CD PRO A 47 -5.354 9.693 5.499 1.00 0.16 C ATOM 0 HA PRO A 47 -4.939 6.480 4.664 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -3.025 7.475 6.319 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -3.035 8.056 4.666 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -4.003 9.410 7.154 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -3.253 10.112 5.735 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -6.051 9.994 6.281 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -5.310 10.511 4.779 1.00 0.16 H new ATOM 655 N ALA A 48 -6.446 7.460 7.216 1.00 0.12 N ATOM 656 CA ALA A 48 -6.922 7.130 8.527 1.00 0.13 C ATOM 657 C ALA A 48 -8.436 6.956 8.531 1.00 0.13 C ATOM 658 O ALA A 48 -9.058 6.772 9.577 1.00 0.17 O ATOM 659 CB ALA A 48 -6.451 8.196 9.491 1.00 0.18 C ATOM 0 H ALA A 48 -6.907 8.261 6.785 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.513 6.172 8.848 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.805 7.961 10.495 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.362 8.232 9.489 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.847 9.164 9.185 1.00 0.18 H new ATOM 665 N THR A 49 -9.012 7.011 7.337 1.00 0.12 N ATOM 666 CA THR A 49 -10.420 6.739 7.132 1.00 0.12 C ATOM 667 C THR A 49 -10.707 5.251 7.304 1.00 0.10 C ATOM 668 O THR A 49 -11.692 4.873 7.939 1.00 0.10 O ATOM 669 CB THR A 49 -10.836 7.172 5.715 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.974 8.596 5.640 1.00 0.20 O ATOM 671 CG2 THR A 49 -12.118 6.494 5.292 1.00 0.13 C ATOM 0 H THR A 49 -8.509 7.247 6.482 1.00 0.12 H new ATOM 0 HA THR A 49 -10.990 7.301 7.872 1.00 0.12 H new ATOM 0 HB THR A 49 -10.048 6.864 5.028 1.00 0.14 H new ATOM 0 HG1 THR A 49 -11.237 8.852 4.731 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.387 6.819 4.287 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.977 5.413 5.298 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.916 6.760 5.985 1.00 0.13 H new ATOM 679 N ALA A 50 -9.798 4.451 6.727 1.00 0.09 N ATOM 680 CA ALA A 50 -9.847 2.982 6.678 1.00 0.08 C ATOM 681 C ALA A 50 -10.344 2.509 5.336 1.00 0.08 C ATOM 682 O ALA A 50 -11.254 3.083 4.753 1.00 0.09 O ATOM 683 CB ALA A 50 -10.673 2.358 7.789 1.00 0.09 C ATOM 0 H ALA A 50 -8.972 4.827 6.261 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.821 2.647 6.831 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.661 1.273 7.686 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.251 2.635 8.755 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.700 2.718 7.725 1.00 0.09 H new ATOM 689 N PHE A 51 -9.695 1.467 4.853 1.00 0.08 N ATOM 690 CA PHE A 51 -10.059 0.817 3.604 1.00 0.09 C ATOM 691 C PHE A 51 -11.511 0.408 3.597 1.00 0.10 C ATOM 692 O PHE A 51 -12.216 0.619 2.612 1.00 0.10 O ATOM 693 CB PHE A 51 -9.193 -0.406 3.405 1.00 0.11 C ATOM 694 CG PHE A 51 -7.778 -0.054 3.137 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.459 0.835 2.142 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.770 -0.633 3.878 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.150 1.153 1.887 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.456 -0.324 3.631 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.154 0.626 2.645 1.00 0.13 C ATOM 0 H PHE A 51 -8.893 1.042 5.319 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.903 1.528 2.793 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.247 -1.035 4.293 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.583 -0.994 2.574 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.245 1.288 1.555 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -7.017 -1.336 4.660 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -5.909 1.827 1.078 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.666 -0.806 4.188 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.132 0.938 2.489 1.00 0.13 H new ATOM 709 N LYS A 52 -11.945 -0.186 4.695 1.00 0.11 N ATOM 710 CA LYS A 52 -13.334 -0.552 4.861 1.00 0.13 C ATOM 711 C LYS A 52 -14.219 0.650 4.605 1.00 0.12 C ATOM 712 O LYS A 52 -15.220 0.575 3.891 1.00 0.15 O ATOM 713 CB LYS A 52 -13.579 -1.026 6.286 1.00 0.17 C ATOM 714 CG LYS A 52 -12.809 -2.279 6.652 1.00 0.53 C ATOM 715 CD LYS A 52 -13.263 -2.860 7.982 1.00 0.64 C ATOM 716 CE LYS A 52 -12.988 -1.913 9.132 1.00 0.59 C ATOM 717 NZ LYS A 52 -13.488 -2.443 10.429 1.00 1.22 N ATOM 0 H LYS A 52 -11.349 -0.425 5.487 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.567 -1.348 4.154 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.307 -0.228 6.977 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.645 -1.213 6.419 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -12.937 -3.025 5.868 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.745 -2.049 6.702 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.330 -3.078 7.938 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.751 -3.806 8.159 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -11.915 -1.734 9.204 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -13.459 -0.951 8.929 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -13.278 -1.762 11.186 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -14.516 -2.590 10.371 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -13.020 -3.348 10.638 1.00 1.22 H new ATOM 731 N ASP A 53 -13.798 1.766 5.176 1.00 0.11 N ATOM 732 CA ASP A 53 -14.555 3.002 5.121 1.00 0.11 C ATOM 733 C ASP A 53 -14.335 3.710 3.791 1.00 0.10 C ATOM 734 O ASP A 53 -14.914 4.761 3.523 1.00 0.18 O ATOM 735 CB ASP A 53 -14.144 3.927 6.272 1.00 0.12 C ATOM 736 CG ASP A 53 -14.621 3.437 7.623 1.00 0.58 C ATOM 737 OD1 ASP A 53 -14.123 2.390 8.088 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.489 4.096 8.235 1.00 0.67 O ATOM 0 H ASP A 53 -12.921 1.839 5.691 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.613 2.757 5.217 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -13.058 4.018 6.287 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -14.545 4.924 6.091 1.00 0.12 H new ATOM 743 N LEU A 54 -13.476 3.128 2.971 1.00 0.08 N ATOM 744 CA LEU A 54 -13.141 3.675 1.668 1.00 0.08 C ATOM 745 C LEU A 54 -13.931 2.987 0.570 1.00 0.08 C ATOM 746 O LEU A 54 -14.216 3.583 -0.468 1.00 0.10 O ATOM 747 CB LEU A 54 -11.641 3.517 1.416 1.00 0.08 C ATOM 748 CG LEU A 54 -10.767 4.590 2.060 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.314 4.163 2.067 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.923 5.904 1.326 1.00 0.12 C ATOM 0 H LEU A 54 -12.990 2.259 3.192 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.401 4.733 1.658 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.326 2.541 1.786 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.465 3.522 0.340 1.00 0.08 H new ATOM 0 HG LEU A 54 -11.092 4.723 3.092 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.708 4.942 2.530 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.210 3.237 2.633 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.977 4.002 1.043 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.294 6.660 1.796 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.623 5.778 0.286 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.965 6.222 1.367 1.00 0.12 H new ATOM 762 N GLY A 55 -14.300 1.738 0.810 1.00 0.09 N ATOM 763 CA GLY A 55 -14.996 0.972 -0.201 1.00 0.10 C ATOM 764 C GLY A 55 -14.352 -0.374 -0.406 1.00 0.10 C ATOM 765 O GLY A 55 -14.870 -1.220 -1.139 1.00 0.15 O ATOM 0 H GLY A 55 -14.130 1.242 1.685 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -16.037 0.839 0.093 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -14.998 1.524 -1.141 1.00 0.10 H new ATOM 769 N ILE A 56 -13.213 -0.561 0.246 1.00 0.09 N ATOM 770 CA ILE A 56 -12.493 -1.818 0.192 1.00 0.09 C ATOM 771 C ILE A 56 -13.310 -2.942 0.811 1.00 0.14 C ATOM 772 O ILE A 56 -13.519 -2.976 2.027 1.00 0.32 O ATOM 773 CB ILE A 56 -11.146 -1.748 0.942 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.131 -0.838 0.263 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.576 -3.126 1.113 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.228 -0.803 -1.239 1.00 0.10 C ATOM 0 H ILE A 56 -12.767 0.152 0.823 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.310 -2.015 -0.864 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.353 -1.311 1.919 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.257 0.175 0.646 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.128 -1.162 0.542 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.626 -3.063 1.643 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.272 -3.739 1.686 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.416 -3.578 0.134 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.468 -0.130 -1.637 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.070 -1.805 -1.637 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.216 -0.448 -1.532 1.00 0.10 H new ATOM 788 N ASP A 57 -13.799 -3.839 -0.023 1.00 0.19 N ATOM 789 CA ASP A 57 -14.377 -5.072 0.471 1.00 0.28 C ATOM 790 C ASP A 57 -13.970 -6.235 -0.416 1.00 0.28 C ATOM 791 O ASP A 57 -14.379 -6.299 -1.574 1.00 0.67 O ATOM 792 CB ASP A 57 -15.898 -4.975 0.545 1.00 0.52 C ATOM 793 CG ASP A 57 -16.501 -6.133 1.310 1.00 1.48 C ATOM 794 OD1 ASP A 57 -16.600 -6.052 2.553 1.00 2.34 O ATOM 795 OD2 ASP A 57 -16.884 -7.134 0.669 1.00 1.95 O ATOM 0 H ASP A 57 -13.808 -3.738 -1.038 1.00 0.19 H new ATOM 0 HA ASP A 57 -13.998 -5.243 1.479 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.179 -4.037 1.025 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -16.310 -4.953 -0.464 1.00 0.52 H new ATOM 800 N SER A 58 -13.131 -7.118 0.138 1.00 0.23 N ATOM 801 CA SER A 58 -12.692 -8.372 -0.503 1.00 0.26 C ATOM 802 C SER A 58 -12.062 -8.173 -1.886 1.00 0.19 C ATOM 803 O SER A 58 -10.841 -8.227 -2.024 1.00 0.17 O ATOM 804 CB SER A 58 -13.831 -9.410 -0.566 1.00 0.36 C ATOM 805 OG SER A 58 -15.074 -8.826 -0.921 1.00 1.25 O ATOM 0 H SER A 58 -12.727 -6.982 1.065 1.00 0.23 H new ATOM 0 HA SER A 58 -11.902 -8.760 0.140 1.00 0.26 H new ATOM 0 HB2 SER A 58 -13.575 -10.183 -1.291 1.00 0.36 H new ATOM 0 HB3 SER A 58 -13.926 -9.901 0.403 1.00 0.36 H new ATOM 0 HG SER A 58 -15.479 -8.413 -0.130 1.00 1.25 H new ATOM 811 N LEU A 59 -12.892 -7.950 -2.897 1.00 0.22 N ATOM 812 CA LEU A 59 -12.436 -7.829 -4.281 1.00 0.20 C ATOM 813 C LEU A 59 -11.410 -6.730 -4.420 1.00 0.14 C ATOM 814 O LEU A 59 -10.315 -6.937 -4.940 1.00 0.14 O ATOM 815 CB LEU A 59 -13.590 -7.490 -5.212 1.00 0.23 C ATOM 816 CG LEU A 59 -14.624 -8.593 -5.463 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.293 -9.044 -4.177 1.00 1.12 C ATOM 818 CD2 LEU A 59 -15.659 -8.092 -6.445 1.00 1.18 C ATOM 0 H LEU A 59 -13.900 -7.848 -2.784 1.00 0.22 H new ATOM 0 HA LEU A 59 -12.002 -8.792 -4.550 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.111 -6.623 -4.806 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.174 -7.190 -6.174 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.107 -9.458 -5.878 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -16.019 -9.826 -4.399 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -14.540 -9.432 -3.492 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.802 -8.198 -3.715 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -16.397 -8.874 -6.627 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -16.155 -7.213 -6.034 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -15.172 -7.828 -7.384 1.00 1.18 H new ATOM 830 N THR A 60 -11.773 -5.556 -3.939 1.00 0.12 N ATOM 831 CA THR A 60 -10.910 -4.404 -4.053 1.00 0.10 C ATOM 832 C THR A 60 -9.825 -4.446 -3.004 1.00 0.09 C ATOM 833 O THR A 60 -8.846 -3.718 -3.083 1.00 0.10 O ATOM 834 CB THR A 60 -11.692 -3.094 -3.947 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.769 -3.244 -3.011 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.219 -2.693 -5.313 1.00 0.16 C ATOM 0 H THR A 60 -12.659 -5.379 -3.467 1.00 0.12 H new ATOM 0 HA THR A 60 -10.452 -4.440 -5.042 1.00 0.10 H new ATOM 0 HB THR A 60 -11.029 -2.306 -3.589 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.265 -2.402 -2.946 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.775 -1.759 -5.229 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.384 -2.557 -6.000 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.878 -3.474 -5.693 1.00 0.16 H new ATOM 844 N ALA A 61 -9.997 -5.317 -2.024 1.00 0.09 N ATOM 845 CA ALA A 61 -8.951 -5.549 -1.052 1.00 0.09 C ATOM 846 C ALA A 61 -7.881 -6.430 -1.674 1.00 0.09 C ATOM 847 O ALA A 61 -6.694 -6.297 -1.376 1.00 0.12 O ATOM 848 CB ALA A 61 -9.506 -6.177 0.213 1.00 0.10 C ATOM 0 H ALA A 61 -10.843 -5.869 -1.884 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.510 -4.593 -0.768 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.696 -6.339 0.924 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.248 -5.512 0.654 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.973 -7.132 -0.029 1.00 0.10 H new ATOM 854 N LEU A 62 -8.315 -7.335 -2.546 1.00 0.10 N ATOM 855 CA LEU A 62 -7.405 -8.164 -3.302 1.00 0.11 C ATOM 856 C LEU A 62 -6.788 -7.352 -4.432 1.00 0.11 C ATOM 857 O LEU A 62 -5.600 -7.444 -4.683 1.00 0.13 O ATOM 858 CB LEU A 62 -8.146 -9.354 -3.897 1.00 0.14 C ATOM 859 CG LEU A 62 -7.326 -10.634 -4.115 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.832 -10.352 -4.100 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.697 -11.673 -3.075 1.00 0.52 C ATOM 0 H LEU A 62 -9.301 -7.508 -2.742 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.623 -8.522 -2.632 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -8.985 -9.594 -3.244 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.565 -9.050 -4.856 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.566 -11.027 -5.103 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.285 -11.281 -4.257 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.587 -9.647 -4.895 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.552 -9.925 -3.137 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -7.110 -12.577 -3.238 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -7.490 -11.281 -2.079 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.758 -11.909 -3.159 1.00 0.52 H new ATOM 873 N GLU A 63 -7.596 -6.566 -5.126 1.00 0.10 N ATOM 874 CA GLU A 63 -7.104 -5.714 -6.181 1.00 0.11 C ATOM 875 C GLU A 63 -6.162 -4.663 -5.595 1.00 0.10 C ATOM 876 O GLU A 63 -5.167 -4.287 -6.220 1.00 0.12 O ATOM 877 CB GLU A 63 -8.321 -5.094 -6.869 1.00 0.14 C ATOM 878 CG GLU A 63 -8.074 -3.740 -7.465 1.00 0.41 C ATOM 879 CD GLU A 63 -7.306 -3.788 -8.770 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.120 -3.414 -8.790 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.898 -4.209 -9.789 1.00 0.83 O ATOM 0 H GLU A 63 -8.602 -6.505 -4.971 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.527 -6.271 -6.919 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.660 -5.767 -7.656 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.132 -5.016 -6.145 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -9.031 -3.245 -7.633 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.522 -3.131 -6.749 1.00 0.41 H new ATOM 888 N LEU A 64 -6.461 -4.218 -4.373 1.00 0.09 N ATOM 889 CA LEU A 64 -5.525 -3.395 -3.629 1.00 0.09 C ATOM 890 C LEU A 64 -4.227 -4.159 -3.499 1.00 0.12 C ATOM 891 O LEU A 64 -3.151 -3.671 -3.835 1.00 0.17 O ATOM 892 CB LEU A 64 -6.058 -3.084 -2.225 1.00 0.12 C ATOM 893 CG LEU A 64 -6.104 -1.606 -1.858 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.530 -1.429 -0.408 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.745 -0.978 -2.099 1.00 0.44 C ATOM 0 H LEU A 64 -7.336 -4.415 -3.888 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.380 -2.453 -4.158 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -7.064 -3.495 -2.137 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.437 -3.603 -1.495 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.840 -1.106 -2.488 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.557 -0.367 -0.164 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.521 -1.860 -0.265 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.817 -1.933 0.245 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.781 0.079 -1.836 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -3.998 -1.480 -1.484 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.478 -1.081 -3.151 1.00 0.44 H new ATOM 907 N ARG A 65 -4.389 -5.393 -3.071 1.00 0.12 N ATOM 908 CA ARG A 65 -3.281 -6.306 -2.811 1.00 0.15 C ATOM 909 C ARG A 65 -2.450 -6.485 -4.071 1.00 0.16 C ATOM 910 O ARG A 65 -1.224 -6.355 -4.057 1.00 0.19 O ATOM 911 CB ARG A 65 -3.825 -7.664 -2.310 1.00 0.18 C ATOM 912 CG ARG A 65 -2.767 -8.754 -2.128 1.00 0.33 C ATOM 913 CD ARG A 65 -2.479 -9.495 -3.430 1.00 0.43 C ATOM 914 NE ARG A 65 -1.408 -10.476 -3.288 1.00 0.78 N ATOM 915 CZ ARG A 65 -1.000 -11.284 -4.269 1.00 1.35 C ATOM 916 NH1 ARG A 65 -1.577 -11.230 -5.465 1.00 1.63 N ATOM 917 NH2 ARG A 65 -0.019 -12.151 -4.054 1.00 1.72 N ATOM 0 H ARG A 65 -5.305 -5.802 -2.889 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.640 -5.886 -2.036 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.331 -7.507 -1.358 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.576 -8.021 -3.015 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -1.846 -8.306 -1.754 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.105 -9.465 -1.374 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -3.386 -9.998 -3.767 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -2.208 -8.775 -4.202 1.00 0.43 H new ATOM 0 HE ARG A 65 -0.942 -10.549 -2.383 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -2.335 -10.569 -5.636 1.00 1.63 H new ATOM 0 HH12 ARG A 65 -1.262 -11.849 -6.212 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.425 -12.201 -3.137 1.00 1.72 H new ATOM 0 HH22 ARG A 65 0.291 -12.767 -4.805 1.00 1.72 H new ATOM 931 N ASN A 66 -3.154 -6.775 -5.148 1.00 0.14 N ATOM 932 CA ASN A 66 -2.567 -6.992 -6.455 1.00 0.16 C ATOM 933 C ASN A 66 -1.730 -5.804 -6.902 1.00 0.16 C ATOM 934 O ASN A 66 -0.686 -5.983 -7.525 1.00 0.21 O ATOM 935 CB ASN A 66 -3.682 -7.296 -7.456 1.00 0.20 C ATOM 936 CG ASN A 66 -4.142 -8.739 -7.372 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.361 -9.633 -7.038 1.00 0.83 O ATOM 938 ND2 ASN A 66 -5.410 -8.975 -7.667 1.00 0.34 N ATOM 0 H ASN A 66 -4.170 -6.868 -5.138 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.888 -7.843 -6.401 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.528 -6.634 -7.269 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.330 -7.086 -8.466 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -5.775 -9.926 -7.623 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -6.022 -8.206 -7.939 1.00 0.34 H new ATOM 945 N THR A 67 -2.166 -4.596 -6.573 1.00 0.14 N ATOM 946 CA THR A 67 -1.389 -3.414 -6.909 1.00 0.15 C ATOM 947 C THR A 67 -0.213 -3.248 -5.952 1.00 0.16 C ATOM 948 O THR A 67 0.935 -3.120 -6.377 1.00 0.21 O ATOM 949 CB THR A 67 -2.253 -2.143 -6.883 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.357 -2.278 -7.789 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.424 -0.916 -7.252 1.00 0.19 C ATOM 0 H THR A 67 -3.040 -4.411 -6.081 1.00 0.14 H new ATOM 0 HA THR A 67 -1.012 -3.556 -7.922 1.00 0.15 H new ATOM 0 HB THR A 67 -2.635 -2.010 -5.871 1.00 0.17 H new ATOM 0 HG1 THR A 67 -4.008 -2.910 -7.419 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.056 -0.029 -7.227 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.608 -0.800 -6.539 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.015 -1.042 -8.254 1.00 0.19 H new ATOM 959 N LEU A 68 -0.507 -3.265 -4.660 1.00 0.17 N ATOM 960 CA LEU A 68 0.507 -3.072 -3.625 1.00 0.20 C ATOM 961 C LEU A 68 1.693 -3.991 -3.823 1.00 0.20 C ATOM 962 O LEU A 68 2.820 -3.536 -4.011 1.00 0.23 O ATOM 963 CB LEU A 68 -0.065 -3.386 -2.254 1.00 0.30 C ATOM 964 CG LEU A 68 -1.350 -2.677 -1.892 1.00 0.79 C ATOM 965 CD1 LEU A 68 -2.016 -3.418 -0.755 1.00 1.38 C ATOM 966 CD2 LEU A 68 -1.075 -1.230 -1.516 1.00 1.40 C ATOM 0 H LEU A 68 -1.449 -3.412 -4.297 1.00 0.17 H new ATOM 0 HA LEU A 68 0.823 -2.031 -3.695 1.00 0.20 H new ATOM 0 HB2 LEU A 68 -0.237 -4.461 -2.192 1.00 0.30 H new ATOM 0 HB3 LEU A 68 0.686 -3.139 -1.504 1.00 0.30 H new ATOM 0 HG LEU A 68 -2.019 -2.669 -2.753 1.00 0.79 H new ATOM 0 HD11 LEU A 68 -2.944 -2.914 -0.486 1.00 1.38 H new ATOM 0 HD12 LEU A 68 -2.235 -4.440 -1.065 1.00 1.38 H new ATOM 0 HD13 LEU A 68 -1.350 -3.435 0.108 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -2.012 -0.737 -1.259 1.00 1.40 H new ATOM 0 HD22 LEU A 68 -0.401 -1.198 -0.660 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -0.614 -0.716 -2.360 1.00 1.40 H new ATOM 978 N THR A 69 1.421 -5.286 -3.766 1.00 0.22 N ATOM 979 CA THR A 69 2.457 -6.299 -3.798 1.00 0.25 C ATOM 980 C THR A 69 3.242 -6.224 -5.112 1.00 0.25 C ATOM 981 O THR A 69 4.394 -6.646 -5.186 1.00 0.33 O ATOM 982 CB THR A 69 1.829 -7.702 -3.592 1.00 0.34 C ATOM 983 OG1 THR A 69 2.768 -8.588 -2.978 1.00 1.01 O ATOM 984 CG2 THR A 69 1.346 -8.304 -4.903 1.00 0.65 C ATOM 0 H THR A 69 0.475 -5.661 -3.696 1.00 0.22 H new ATOM 0 HA THR A 69 3.160 -6.118 -2.985 1.00 0.25 H new ATOM 0 HB THR A 69 0.967 -7.574 -2.937 1.00 0.34 H new ATOM 0 HG1 THR A 69 3.419 -8.889 -3.646 1.00 1.01 H new ATOM 0 HG21 THR A 69 0.913 -9.286 -4.715 1.00 0.65 H new ATOM 0 HG22 THR A 69 0.592 -7.654 -5.346 1.00 0.65 H new ATOM 0 HG23 THR A 69 2.187 -8.404 -5.589 1.00 0.65 H new ATOM 992 N HIS A 70 2.615 -5.649 -6.131 1.00 0.21 N ATOM 993 CA HIS A 70 3.253 -5.450 -7.422 1.00 0.22 C ATOM 994 C HIS A 70 4.231 -4.281 -7.362 1.00 0.21 C ATOM 995 O HIS A 70 5.338 -4.364 -7.883 1.00 0.28 O ATOM 996 CB HIS A 70 2.180 -5.187 -8.487 1.00 0.24 C ATOM 997 CG HIS A 70 2.703 -5.031 -9.882 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.626 -6.023 -10.833 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.284 -3.975 -10.492 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.139 -5.583 -11.966 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.546 -4.341 -11.787 1.00 0.41 N ATOM 0 H HIS A 70 1.654 -5.310 -6.084 1.00 0.21 H new ATOM 0 HA HIS A 70 3.811 -6.349 -7.684 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.465 -6.009 -8.472 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.633 -4.284 -8.216 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.502 -3.018 -10.042 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.213 -6.145 -12.885 1.00 0.45 H new ATOM 0 HE2 HIS A 70 3.983 -3.751 -12.495 1.00 0.41 H new ATOM 1010 N ASN A 71 3.812 -3.199 -6.719 1.00 0.19 N ATOM 1011 CA ASN A 71 4.613 -1.977 -6.645 1.00 0.22 C ATOM 1012 C ASN A 71 5.708 -2.072 -5.598 1.00 0.20 C ATOM 1013 O ASN A 71 6.688 -1.329 -5.643 1.00 0.25 O ATOM 1014 CB ASN A 71 3.727 -0.779 -6.350 1.00 0.32 C ATOM 1015 CG ASN A 71 2.904 -0.373 -7.551 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.327 0.448 -8.363 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.730 -0.952 -7.677 1.00 0.22 N ATOM 0 H ASN A 71 2.915 -3.140 -6.237 1.00 0.19 H new ATOM 0 HA ASN A 71 5.090 -1.850 -7.617 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.063 -1.015 -5.519 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.346 0.061 -6.034 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.132 -0.725 -8.472 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.417 -1.628 -6.980 1.00 0.22 H new ATOM 1024 N THR A 72 5.542 -2.984 -4.660 1.00 0.18 N ATOM 1025 CA THR A 72 6.468 -3.118 -3.564 1.00 0.19 C ATOM 1026 C THR A 72 7.259 -4.392 -3.679 1.00 0.23 C ATOM 1027 O THR A 72 8.146 -4.647 -2.876 1.00 0.25 O ATOM 1028 CB THR A 72 5.710 -3.086 -2.241 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.713 -4.116 -2.241 1.00 0.21 O ATOM 1030 CG2 THR A 72 5.044 -1.728 -2.069 1.00 0.16 C ATOM 0 H THR A 72 4.766 -3.646 -4.640 1.00 0.18 H new ATOM 0 HA THR A 72 7.167 -2.283 -3.599 1.00 0.19 H new ATOM 0 HB THR A 72 6.404 -3.253 -1.417 1.00 0.19 H new ATOM 0 HG1 THR A 72 3.870 -3.755 -2.587 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.502 -1.706 -1.123 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.804 -0.947 -2.070 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.348 -1.558 -2.890 1.00 0.16 H new ATOM 1038 N GLY A 73 6.898 -5.214 -4.653 1.00 0.27 N ATOM 1039 CA GLY A 73 7.735 -6.339 -5.001 1.00 0.35 C ATOM 1040 C GLY A 73 7.560 -7.488 -4.053 1.00 0.39 C ATOM 1041 O GLY A 73 8.293 -8.478 -4.095 1.00 0.46 O ATOM 0 H GLY A 73 6.045 -5.122 -5.205 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.499 -6.666 -6.014 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.779 -6.027 -5.002 1.00 0.35 H new ATOM 1045 N LEU A 74 6.594 -7.335 -3.185 1.00 0.39 N ATOM 1046 CA LEU A 74 6.368 -8.265 -2.121 1.00 0.45 C ATOM 1047 C LEU A 74 5.580 -9.478 -2.578 1.00 0.62 C ATOM 1048 O LEU A 74 5.088 -9.541 -3.708 1.00 1.10 O ATOM 1049 CB LEU A 74 5.649 -7.537 -0.996 1.00 0.46 C ATOM 1050 CG LEU A 74 6.222 -7.809 0.376 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.599 -7.176 0.472 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.298 -7.276 1.449 1.00 0.94 C ATOM 0 H LEU A 74 5.939 -6.553 -3.201 1.00 0.39 H new ATOM 0 HA LEU A 74 7.328 -8.644 -1.770 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.687 -6.465 -1.188 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.598 -7.826 -1.003 1.00 0.46 H new ATOM 0 HG LEU A 74 6.316 -8.884 0.529 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.020 -7.368 1.459 1.00 1.12 H new ATOM 0 HD12 LEU A 74 8.250 -7.605 -0.289 1.00 1.12 H new ATOM 0 HD13 LEU A 74 7.517 -6.100 0.315 1.00 1.12 H new ATOM 0 HD21 LEU A 74 5.725 -7.480 2.431 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.176 -6.200 1.323 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.326 -7.763 1.368 1.00 0.94 H new ATOM 1064 N ASP A 75 5.490 -10.443 -1.683 1.00 0.54 N ATOM 1065 CA ASP A 75 4.792 -11.686 -1.947 1.00 0.72 C ATOM 1066 C ASP A 75 3.820 -11.980 -0.813 1.00 0.78 C ATOM 1067 O ASP A 75 3.944 -12.969 -0.092 1.00 0.98 O ATOM 1068 CB ASP A 75 5.808 -12.807 -2.093 1.00 1.04 C ATOM 1069 CG ASP A 75 5.173 -14.157 -2.375 1.00 1.31 C ATOM 1070 OD1 ASP A 75 5.422 -15.109 -1.607 1.00 1.45 O ATOM 1071 OD2 ASP A 75 4.409 -14.271 -3.362 1.00 1.55 O ATOM 0 H ASP A 75 5.900 -10.387 -0.751 1.00 0.54 H new ATOM 0 HA ASP A 75 4.222 -11.604 -2.873 1.00 0.72 H new ATOM 0 HB2 ASP A 75 6.497 -12.561 -2.901 1.00 1.04 H new ATOM 0 HB3 ASP A 75 6.399 -12.874 -1.179 1.00 1.04 H new ATOM 1076 N LEU A 76 2.873 -11.086 -0.638 1.00 0.91 N ATOM 1077 CA LEU A 76 1.876 -11.219 0.413 1.00 1.31 C ATOM 1078 C LEU A 76 0.490 -11.437 -0.181 1.00 0.97 C ATOM 1079 O LEU A 76 0.070 -10.708 -1.077 1.00 0.95 O ATOM 1080 CB LEU A 76 1.878 -9.979 1.315 1.00 1.98 C ATOM 1081 CG LEU A 76 2.738 -10.082 2.583 1.00 2.77 C ATOM 1082 CD1 LEU A 76 2.168 -11.116 3.537 1.00 3.54 C ATOM 1083 CD2 LEU A 76 4.178 -10.426 2.239 1.00 3.31 C ATOM 0 H LEU A 76 2.768 -10.250 -1.213 1.00 0.91 H new ATOM 0 HA LEU A 76 2.133 -12.090 1.016 1.00 1.31 H new ATOM 0 HB2 LEU A 76 2.225 -9.127 0.730 1.00 1.98 H new ATOM 0 HB3 LEU A 76 0.851 -9.765 1.611 1.00 1.98 H new ATOM 0 HG LEU A 76 2.724 -9.109 3.074 1.00 2.77 H new ATOM 0 HD11 LEU A 76 2.793 -11.172 4.428 1.00 3.54 H new ATOM 0 HD12 LEU A 76 1.155 -10.830 3.821 1.00 3.54 H new ATOM 0 HD13 LEU A 76 2.146 -12.090 3.047 1.00 3.54 H new ATOM 0 HD21 LEU A 76 4.765 -10.493 3.155 1.00 3.31 H new ATOM 0 HD22 LEU A 76 4.209 -11.383 1.718 1.00 3.31 H new ATOM 0 HD23 LEU A 76 4.594 -9.649 1.597 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.223 -12.461 0.308 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.576 -12.794 -0.153 1.00 1.07 C ATOM 1097 C PRO A 77 -2.630 -11.810 0.375 1.00 0.78 C ATOM 1098 O PRO A 77 -2.278 -10.814 1.010 1.00 0.84 O ATOM 1099 CB PRO A 77 -1.797 -14.196 0.431 1.00 1.63 C ATOM 1100 CG PRO A 77 -0.957 -14.235 1.656 1.00 1.97 C ATOM 1101 CD PRO A 77 0.245 -13.384 1.362 1.00 1.67 C ATOM 0 HA PRO A 77 -1.672 -12.746 -1.238 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -2.848 -14.365 0.667 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -1.500 -14.970 -0.277 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -1.505 -13.852 2.517 1.00 1.97 H new ATOM 0 HG3 PRO A 77 -0.662 -15.257 1.895 1.00 1.97 H new ATOM 0 HD2 PRO A 77 0.578 -12.843 2.248 1.00 1.67 H new ATOM 0 HD3 PRO A 77 1.087 -13.986 1.021 1.00 1.67 H new ATOM 1109 N PRO A 78 -3.931 -12.046 0.072 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.064 -11.297 0.652 1.00 0.50 C ATOM 1111 C PRO A 78 -5.010 -11.154 2.182 1.00 0.67 C ATOM 1112 O PRO A 78 -3.998 -11.453 2.818 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.294 -12.132 0.258 1.00 0.60 C ATOM 1114 CG PRO A 78 -5.766 -13.367 -0.396 1.00 0.76 C ATOM 1115 CD PRO A 78 -4.411 -13.018 -0.919 1.00 0.75 C ATOM 0 HA PRO A 78 -5.067 -10.272 0.281 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -6.893 -12.381 1.134 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.940 -11.577 -0.422 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -5.708 -14.190 0.317 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -6.423 -13.691 -1.203 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -3.761 -13.891 -0.979 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -4.460 -12.588 -1.919 1.00 0.75 H new ATOM 1123 N THR A 79 -6.122 -10.689 2.770 1.00 0.55 N ATOM 1124 CA THR A 79 -6.225 -10.399 4.206 1.00 0.40 C ATOM 1125 C THR A 79 -5.176 -9.392 4.679 1.00 0.33 C ATOM 1126 O THR A 79 -4.924 -9.252 5.875 1.00 0.37 O ATOM 1127 CB THR A 79 -6.213 -11.668 5.100 1.00 0.45 C ATOM 1128 OG1 THR A 79 -5.064 -12.488 4.848 1.00 0.52 O ATOM 1129 CG2 THR A 79 -7.476 -12.488 4.881 1.00 0.53 C ATOM 0 H THR A 79 -6.983 -10.502 2.256 1.00 0.55 H new ATOM 0 HA THR A 79 -7.207 -9.941 4.325 1.00 0.40 H new ATOM 0 HB THR A 79 -6.171 -11.329 6.135 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.392 -11.968 4.360 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.450 -13.373 5.516 1.00 0.53 H new ATOM 0 HG22 THR A 79 -8.349 -11.886 5.134 1.00 0.53 H new ATOM 0 HG23 THR A 79 -7.535 -12.793 3.836 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.580 -8.679 3.730 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.657 -7.597 4.040 1.00 0.32 C ATOM 1139 C LEU A 80 -4.435 -6.381 4.521 1.00 0.22 C ATOM 1140 O LEU A 80 -4.006 -5.684 5.434 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.829 -7.246 2.798 1.00 0.43 C ATOM 1142 CG LEU A 80 -1.325 -7.069 3.031 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -1.055 -5.945 4.016 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -0.707 -8.369 3.523 1.00 1.97 C ATOM 0 H LEU A 80 -4.722 -8.834 2.732 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.979 -7.916 4.832 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -2.973 -8.030 2.054 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -3.223 -6.324 2.370 1.00 0.43 H new ATOM 0 HG LEU A 80 -0.864 -6.802 2.080 1.00 1.21 H new ATOM 0 HD11 LEU A 80 0.020 -5.841 4.163 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -1.460 -5.012 3.623 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -1.531 -6.174 4.969 1.00 1.91 H new ATOM 0 HD21 LEU A 80 0.362 -8.226 3.684 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -1.178 -8.664 4.460 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -0.861 -9.150 2.778 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.587 -6.144 3.908 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.460 -5.042 4.315 1.00 0.13 C ATOM 1158 C ILE A 81 -7.078 -5.349 5.671 1.00 0.15 C ATOM 1159 O ILE A 81 -7.369 -4.459 6.467 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.584 -4.800 3.281 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -6.999 -4.633 1.895 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.385 -3.563 3.608 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.841 -3.681 1.863 1.00 0.13 C ATOM 0 H ILE A 81 -5.942 -6.697 3.128 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.853 -4.139 4.378 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.240 -5.670 3.315 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.675 -5.605 1.523 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.776 -4.276 1.219 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.165 -3.426 2.859 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -8.842 -3.675 4.591 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.727 -2.694 3.610 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.463 -3.602 0.844 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.167 -2.699 2.206 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -5.049 -4.049 2.516 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.281 -6.628 5.909 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.803 -7.110 7.168 1.00 0.25 C ATOM 1177 C PHE A 82 -6.762 -6.961 8.276 1.00 0.25 C ATOM 1178 O PHE A 82 -7.100 -6.707 9.433 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.222 -8.570 7.004 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.343 -8.772 6.016 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.592 -9.229 6.424 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -9.144 -8.499 4.676 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.611 -9.410 5.511 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -10.159 -8.678 3.759 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.424 -9.155 4.214 1.00 0.49 C ATOM 0 H PHE A 82 -7.087 -7.365 5.231 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.672 -6.517 7.454 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.358 -9.153 6.684 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.529 -8.962 7.974 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -10.766 -9.445 7.468 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -8.181 -8.141 4.342 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.574 -9.763 5.851 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -9.998 -8.460 2.713 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.229 -9.310 3.511 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.494 -7.104 7.910 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.400 -6.969 8.865 1.00 0.25 C ATOM 1197 C ASP A 83 -4.010 -5.502 9.019 1.00 0.24 C ATOM 1198 O ASP A 83 -3.606 -5.057 10.092 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.190 -7.784 8.402 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.134 -7.927 9.479 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.383 -8.658 10.460 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.046 -7.332 9.341 1.00 0.47 O ATOM 0 H ASP A 83 -5.197 -7.314 6.957 1.00 0.23 H new ATOM 0 HA ASP A 83 -4.734 -7.348 9.831 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.522 -8.774 8.091 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.749 -7.306 7.527 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.144 -4.760 7.929 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.821 -3.338 7.896 1.00 0.12 C ATOM 1209 C HIS A 84 -4.968 -2.573 7.255 1.00 0.11 C ATOM 1210 O HIS A 84 -5.030 -2.444 6.035 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.539 -3.104 7.104 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.314 -3.622 7.783 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.539 -2.871 8.640 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.735 -4.838 7.726 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.465 -3.605 9.078 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.371 -4.805 8.539 1.00 0.29 N ATOM 0 H HIS A 84 -4.481 -5.127 7.039 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.671 -2.984 8.916 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.633 -3.581 6.128 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.421 -2.035 6.927 1.00 0.14 H new ATOM 0 HD2 HIS A 84 -1.078 -5.683 7.147 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.234 -3.279 9.762 1.00 0.27 H new ATOM 0 HE2 HIS A 84 1.014 -5.581 8.700 1.00 0.29 H new ATOM 1225 N PRO A 85 -5.886 -2.052 8.068 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.153 -1.526 7.581 1.00 0.09 C ATOM 1227 C PRO A 85 -7.128 -0.066 7.134 1.00 0.08 C ATOM 1228 O PRO A 85 -8.176 0.477 6.795 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.053 -1.687 8.799 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.143 -1.457 9.957 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.783 -1.957 9.536 1.00 0.13 C ATOM 0 HA PRO A 85 -7.470 -2.050 6.679 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.872 -0.968 8.787 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.501 -2.680 8.835 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.105 -0.399 10.217 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.496 -1.989 10.840 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -4.992 -1.270 9.839 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.555 -2.924 9.985 1.00 0.13 H new ATOM 1239 N THR A 86 -5.973 0.586 7.115 1.00 0.07 N ATOM 1240 CA THR A 86 -5.920 1.963 6.645 1.00 0.07 C ATOM 1241 C THR A 86 -4.795 2.143 5.627 1.00 0.07 C ATOM 1242 O THR A 86 -3.838 1.368 5.640 1.00 0.07 O ATOM 1243 CB THR A 86 -5.719 2.958 7.804 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.446 2.744 8.423 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.818 2.829 8.850 1.00 0.09 C ATOM 0 H THR A 86 -5.079 0.195 7.412 1.00 0.07 H new ATOM 0 HA THR A 86 -6.880 2.173 6.173 1.00 0.07 H new ATOM 0 HB THR A 86 -5.761 3.963 7.385 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.328 3.383 9.157 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.643 3.546 9.652 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.785 3.029 8.388 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.814 1.819 9.259 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.894 3.129 4.704 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.807 3.420 3.759 1.00 0.09 C ATOM 1255 C PRO A 87 -2.485 3.649 4.479 1.00 0.09 C ATOM 1256 O PRO A 87 -1.421 3.272 3.987 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.273 4.677 3.029 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.758 4.655 3.157 1.00 0.09 C ATOM 1259 CD PRO A 87 -6.062 3.996 4.478 1.00 0.08 C ATOM 0 HA PRO A 87 -3.618 2.591 3.077 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.849 5.576 3.477 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -3.965 4.666 1.984 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.166 5.665 3.124 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.211 4.102 2.334 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.178 4.730 5.276 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -6.987 3.421 4.437 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.575 4.247 5.660 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.428 4.397 6.540 1.00 0.09 C ATOM 1269 C HIS A 88 -0.912 3.020 6.944 1.00 0.08 C ATOM 1270 O HIS A 88 0.268 2.723 6.791 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.833 5.205 7.776 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.697 5.564 8.682 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.303 6.443 8.324 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.411 5.162 9.941 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.157 6.564 9.323 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.746 5.797 10.315 1.00 0.30 N ATOM 0 H HIS A 88 -3.440 4.639 6.031 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.632 4.930 6.020 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.325 6.121 7.450 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.567 4.633 8.344 1.00 0.12 H new ATOM 0 HD2 HIS A 88 -0.986 4.471 10.540 1.00 0.23 H new ATOM 0 HE1 HIS A 88 2.041 7.185 9.328 1.00 0.33 H new ATOM 0 HE2 HIS A 88 1.214 5.693 11.215 1.00 0.30 H new ATOM 1285 N ALA A 89 -1.821 2.183 7.433 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.496 0.827 7.871 1.00 0.10 C ATOM 1287 C ALA A 89 -0.835 0.000 6.776 1.00 0.09 C ATOM 1288 O ALA A 89 0.235 -0.566 6.989 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.748 0.124 8.349 1.00 0.12 C ATOM 0 H ALA A 89 -2.806 2.425 7.538 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.780 0.920 8.688 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.497 -0.886 8.674 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.179 0.677 9.184 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.471 0.074 7.535 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.492 -0.114 5.625 1.00 0.10 N ATOM 1296 CA LEU A 90 -0.936 -0.853 4.494 1.00 0.11 C ATOM 1297 C LEU A 90 0.449 -0.358 4.161 1.00 0.11 C ATOM 1298 O LEU A 90 1.366 -1.145 3.907 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.820 -0.677 3.269 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.278 -1.960 2.589 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -2.902 -2.912 3.589 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.271 -1.630 1.497 1.00 0.68 C ATOM 0 H LEU A 90 -2.410 0.296 5.450 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.888 -1.905 4.773 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.703 -0.108 3.561 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.280 -0.075 2.539 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.408 -2.450 2.153 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.220 -3.820 3.077 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.170 -3.165 4.356 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.765 -2.436 4.055 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.597 -2.550 1.012 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -4.133 -1.123 1.930 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.799 -0.979 0.761 1.00 0.68 H new ATOM 1314 N THR A 91 0.584 0.952 4.166 1.00 0.11 N ATOM 1315 CA THR A 91 1.848 1.585 3.904 1.00 0.12 C ATOM 1316 C THR A 91 2.893 1.129 4.919 1.00 0.12 C ATOM 1317 O THR A 91 4.019 0.785 4.560 1.00 0.13 O ATOM 1318 CB THR A 91 1.697 3.121 3.948 1.00 0.12 C ATOM 1319 OG1 THR A 91 0.987 3.580 2.793 1.00 0.13 O ATOM 1320 CG2 THR A 91 3.042 3.818 4.054 1.00 0.13 C ATOM 0 H THR A 91 -0.180 1.601 4.352 1.00 0.11 H new ATOM 0 HA THR A 91 2.181 1.294 2.908 1.00 0.12 H new ATOM 0 HB THR A 91 1.127 3.372 4.843 1.00 0.12 H new ATOM 0 HG1 THR A 91 0.023 3.518 2.956 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.891 4.897 4.082 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.547 3.498 4.966 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.655 3.560 3.190 1.00 0.13 H new ATOM 1328 N GLN A 92 2.491 1.113 6.183 1.00 0.11 N ATOM 1329 CA GLN A 92 3.347 0.665 7.270 1.00 0.12 C ATOM 1330 C GLN A 92 3.846 -0.755 7.023 1.00 0.13 C ATOM 1331 O GLN A 92 5.006 -1.067 7.279 1.00 0.16 O ATOM 1332 CB GLN A 92 2.578 0.730 8.593 1.00 0.12 C ATOM 1333 CG GLN A 92 2.138 2.132 8.980 1.00 0.16 C ATOM 1334 CD GLN A 92 1.716 2.226 10.431 1.00 0.47 C ATOM 1335 OE1 GLN A 92 0.550 2.008 10.768 1.00 1.42 O ATOM 1336 NE2 GLN A 92 2.657 2.560 11.299 1.00 1.06 N ATOM 0 H GLN A 92 1.562 1.410 6.482 1.00 0.11 H new ATOM 0 HA GLN A 92 4.214 1.324 7.322 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.698 0.090 8.523 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.205 0.324 9.387 1.00 0.12 H new ATOM 0 HG2 GLN A 92 2.955 2.830 8.796 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.308 2.438 8.343 1.00 0.16 H new ATOM 0 HE21 GLN A 92 3.610 2.732 10.978 1.00 1.06 H new ATOM 0 HE22 GLN A 92 2.430 2.646 12.290 1.00 1.06 H new ATOM 1345 N HIS A 93 2.965 -1.599 6.502 1.00 0.14 N ATOM 1346 CA HIS A 93 3.309 -2.979 6.173 1.00 0.17 C ATOM 1347 C HIS A 93 4.459 -3.034 5.170 1.00 0.19 C ATOM 1348 O HIS A 93 5.468 -3.686 5.411 1.00 0.21 O ATOM 1349 CB HIS A 93 2.073 -3.702 5.611 1.00 0.20 C ATOM 1350 CG HIS A 93 2.351 -5.046 5.000 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.531 -6.197 5.735 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.462 -5.415 3.699 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.741 -7.213 4.920 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.704 -6.767 3.678 1.00 0.41 N ATOM 0 H HIS A 93 1.998 -1.350 6.296 1.00 0.14 H new ATOM 0 HA HIS A 93 3.636 -3.481 7.084 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.347 -3.827 6.414 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.609 -3.065 4.858 1.00 0.20 H new ATOM 0 HD1 HIS A 93 2.506 -6.255 6.753 1.00 0.31 H new ATOM 0 HD2 HIS A 93 2.376 -4.766 2.840 1.00 0.36 H new ATOM 0 HE1 HIS A 93 2.914 -8.236 5.218 1.00 0.38 H new ATOM 1363 N LEU A 94 4.308 -2.338 4.052 1.00 0.18 N ATOM 1364 CA LEU A 94 5.297 -2.390 2.986 1.00 0.21 C ATOM 1365 C LEU A 94 6.540 -1.583 3.331 1.00 0.22 C ATOM 1366 O LEU A 94 7.622 -1.885 2.847 1.00 0.31 O ATOM 1367 CB LEU A 94 4.660 -1.896 1.691 1.00 0.19 C ATOM 1368 CG LEU A 94 3.433 -2.704 1.259 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.612 -1.955 0.238 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.851 -4.057 0.697 1.00 0.27 C ATOM 0 H LEU A 94 3.511 -1.731 3.860 1.00 0.18 H new ATOM 0 HA LEU A 94 5.622 -3.422 2.858 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.371 -0.852 1.814 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.404 -1.929 0.895 1.00 0.19 H new ATOM 0 HG LEU A 94 2.817 -2.862 2.144 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.749 -2.557 -0.047 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.272 -1.012 0.666 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.222 -1.755 -0.643 1.00 0.21 H new ATOM 0 HD21 LEU A 94 2.965 -4.615 0.396 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.497 -3.908 -0.168 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.391 -4.617 1.461 1.00 0.27 H new ATOM 1382 N HIS A 95 6.396 -0.594 4.208 1.00 0.18 N ATOM 1383 CA HIS A 95 7.533 0.219 4.638 1.00 0.20 C ATOM 1384 C HIS A 95 8.348 -0.557 5.658 1.00 0.26 C ATOM 1385 O HIS A 95 9.540 -0.316 5.840 1.00 0.39 O ATOM 1386 CB HIS A 95 7.063 1.541 5.257 1.00 0.20 C ATOM 1387 CG HIS A 95 8.179 2.508 5.533 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.883 2.521 6.717 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.723 3.487 4.768 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.806 3.458 6.670 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.734 4.059 5.500 1.00 0.36 N ATOM 0 H HIS A 95 5.506 -0.335 4.635 1.00 0.18 H new ATOM 0 HA HIS A 95 8.145 0.448 3.765 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.344 2.011 4.586 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.538 1.330 6.189 1.00 0.20 H new ATOM 0 HD1 HIS A 95 8.715 1.900 7.508 1.00 0.37 H new ATOM 0 HD2 HIS A 95 8.418 3.765 3.770 1.00 0.26 H new ATOM 0 HE1 HIS A 95 10.505 3.695 7.458 1.00 0.43 H new ATOM 1400 N THR A 96 7.693 -1.499 6.310 1.00 0.22 N ATOM 1401 CA THR A 96 8.321 -2.340 7.286 1.00 0.27 C ATOM 1402 C THR A 96 8.932 -3.561 6.592 1.00 0.32 C ATOM 1403 O THR A 96 10.017 -4.016 6.940 1.00 0.40 O ATOM 1404 CB THR A 96 7.264 -2.758 8.327 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.098 -1.734 9.318 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.611 -4.068 8.976 1.00 0.31 C ATOM 0 H THR A 96 6.702 -1.696 6.169 1.00 0.22 H new ATOM 0 HA THR A 96 9.124 -1.806 7.794 1.00 0.27 H new ATOM 0 HB THR A 96 6.319 -2.891 7.800 1.00 0.35 H new ATOM 0 HG1 THR A 96 6.373 -1.132 9.048 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.842 -4.329 9.703 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.670 -4.847 8.215 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.573 -3.980 9.481 1.00 0.31 H new ATOM 1414 N ARG A 97 8.234 -4.064 5.583 1.00 0.34 N ATOM 1415 CA ARG A 97 8.702 -5.216 4.816 1.00 0.45 C ATOM 1416 C ARG A 97 9.983 -4.926 4.059 1.00 0.57 C ATOM 1417 O ARG A 97 10.668 -5.843 3.606 1.00 0.67 O ATOM 1418 CB ARG A 97 7.626 -5.666 3.846 1.00 0.58 C ATOM 1419 CG ARG A 97 6.575 -6.502 4.506 1.00 1.52 C ATOM 1420 CD ARG A 97 7.128 -7.856 4.900 1.00 2.27 C ATOM 1421 NE ARG A 97 7.833 -8.515 3.798 1.00 3.09 N ATOM 1422 CZ ARG A 97 7.729 -9.810 3.508 1.00 3.77 C ATOM 1423 NH1 ARG A 97 6.919 -10.594 4.209 1.00 3.78 N ATOM 1424 NH2 ARG A 97 8.442 -10.316 2.511 1.00 4.68 N ATOM 0 H ARG A 97 7.336 -3.692 5.273 1.00 0.34 H new ATOM 0 HA ARG A 97 8.917 -6.011 5.530 1.00 0.45 H new ATOM 0 HB2 ARG A 97 7.159 -4.791 3.394 1.00 0.58 H new ATOM 0 HB3 ARG A 97 8.085 -6.236 3.038 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.198 -5.988 5.390 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.731 -6.633 3.829 1.00 1.52 H new ATOM 0 HD2 ARG A 97 7.809 -7.736 5.743 1.00 2.27 H new ATOM 0 HD3 ARG A 97 6.312 -8.494 5.238 1.00 2.27 H new ATOM 0 HE ARG A 97 8.444 -7.944 3.214 1.00 3.09 H new ATOM 0 HH11 ARG A 97 6.371 -10.205 4.976 1.00 3.78 H new ATOM 0 HH12 ARG A 97 6.845 -11.585 3.980 1.00 3.78 H new ATOM 0 HH21 ARG A 97 9.065 -9.714 1.972 1.00 4.68 H new ATOM 0 HH22 ARG A 97 8.368 -11.307 2.283 1.00 4.68 H new ATOM 1438 N LEU A 98 10.283 -3.653 3.902 1.00 0.62 N ATOM 1439 CA LEU A 98 11.546 -3.230 3.298 1.00 0.78 C ATOM 1440 C LEU A 98 12.761 -3.794 4.032 1.00 0.92 C ATOM 1441 O LEU A 98 13.881 -3.750 3.519 1.00 1.19 O ATOM 1442 CB LEU A 98 11.648 -1.714 3.249 1.00 0.78 C ATOM 1443 CG LEU A 98 11.264 -1.075 1.906 1.00 0.68 C ATOM 1444 CD1 LEU A 98 11.144 -2.116 0.800 1.00 1.14 C ATOM 1445 CD2 LEU A 98 9.976 -0.315 2.032 1.00 1.00 C ATOM 0 H LEU A 98 9.673 -2.886 4.183 1.00 0.62 H new ATOM 0 HA LEU A 98 11.547 -3.629 2.284 1.00 0.78 H new ATOM 0 HB2 LEU A 98 11.008 -1.298 4.027 1.00 0.78 H new ATOM 0 HB3 LEU A 98 12.671 -1.427 3.490 1.00 0.78 H new ATOM 0 HG LEU A 98 12.063 -0.385 1.636 1.00 0.68 H new ATOM 0 HD11 LEU A 98 10.871 -1.625 -0.134 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.099 -2.627 0.676 1.00 1.14 H new ATOM 0 HD13 LEU A 98 10.376 -2.842 1.066 1.00 1.14 H new ATOM 0 HD21 LEU A 98 9.721 0.130 1.070 1.00 1.00 H new ATOM 0 HD22 LEU A 98 9.181 -0.995 2.340 1.00 1.00 H new ATOM 0 HD23 LEU A 98 10.089 0.472 2.778 1.00 1.00 H new ATOM 1457 N THR A 99 12.544 -4.306 5.230 1.00 0.85 N ATOM 1458 CA THR A 99 13.622 -4.859 6.023 1.00 1.08 C ATOM 1459 C THR A 99 13.300 -6.274 6.498 1.00 1.13 C ATOM 1460 O THR A 99 14.079 -7.205 6.282 1.00 1.66 O ATOM 1461 CB THR A 99 13.944 -3.936 7.220 1.00 1.19 C ATOM 1462 OG1 THR A 99 14.770 -4.604 8.181 1.00 1.61 O ATOM 1463 CG2 THR A 99 12.683 -3.409 7.884 1.00 1.07 C ATOM 0 H THR A 99 11.627 -4.349 5.675 1.00 0.85 H new ATOM 0 HA THR A 99 14.505 -4.921 5.387 1.00 1.08 H new ATOM 0 HB THR A 99 14.494 -3.083 6.823 1.00 1.19 H new ATOM 0 HG1 THR A 99 14.960 -3.997 8.927 1.00 1.61 H new ATOM 0 HG21 THR A 99 12.954 -2.765 8.720 1.00 1.07 H new ATOM 0 HG22 THR A 99 12.102 -2.838 7.160 1.00 1.07 H new ATOM 0 HG23 THR A 99 12.087 -4.246 8.249 1.00 1.07 H new ATOM 1471 N GLN A 100 12.152 -6.433 7.128 1.00 0.75 N ATOM 1472 CA GLN A 100 11.755 -7.712 7.681 1.00 0.85 C ATOM 1473 C GLN A 100 11.044 -8.538 6.622 1.00 1.01 C ATOM 1474 O GLN A 100 10.246 -8.011 5.846 1.00 1.19 O ATOM 1475 CB GLN A 100 10.883 -7.480 8.921 1.00 0.77 C ATOM 1476 CG GLN A 100 9.738 -6.523 8.695 1.00 0.81 C ATOM 1477 CD GLN A 100 8.485 -7.193 8.148 1.00 1.52 C ATOM 1478 OE1 GLN A 100 7.712 -6.580 7.424 1.00 2.10 O ATOM 1479 NE2 GLN A 100 8.262 -8.449 8.509 1.00 2.19 N ATOM 0 H GLN A 100 11.473 -5.685 7.270 1.00 0.75 H new ATOM 0 HA GLN A 100 12.634 -8.277 7.992 1.00 0.85 H new ATOM 0 HB2 GLN A 100 10.483 -8.437 9.255 1.00 0.77 H new ATOM 0 HB3 GLN A 100 11.509 -7.097 9.727 1.00 0.77 H new ATOM 0 HG2 GLN A 100 9.495 -6.030 9.637 1.00 0.81 H new ATOM 0 HG3 GLN A 100 10.057 -5.745 8.001 1.00 0.81 H new ATOM 0 HE21 GLN A 100 8.927 -8.931 9.114 1.00 2.19 H new ATOM 0 HE22 GLN A 100 7.426 -8.933 8.182 1.00 2.19 H new ATOM 1488 N SER A 101 11.356 -9.822 6.566 1.00 1.26 N ATOM 1489 CA SER A 101 10.782 -10.689 5.557 1.00 1.48 C ATOM 1490 C SER A 101 10.986 -12.153 5.902 1.00 1.84 C ATOM 1491 O SER A 101 11.738 -12.491 6.819 1.00 2.05 O ATOM 1492 CB SER A 101 11.396 -10.373 4.196 1.00 1.64 C ATOM 1493 OG SER A 101 12.816 -10.415 4.242 1.00 2.32 O ATOM 0 H SER A 101 12.002 -10.284 7.206 1.00 1.26 H new ATOM 0 HA SER A 101 9.708 -10.506 5.520 1.00 1.48 H new ATOM 0 HB2 SER A 101 11.034 -11.088 3.457 1.00 1.64 H new ATOM 0 HB3 SER A 101 11.071 -9.385 3.870 1.00 1.64 H new ATOM 0 HG SER A 101 13.178 -10.210 3.355 1.00 2.32 H new ATOM 1499 N HIS A 102 10.308 -13.012 5.157 1.00 2.10 N ATOM 1500 CA HIS A 102 10.365 -14.453 5.368 1.00 2.55 C ATOM 1501 C HIS A 102 9.658 -15.172 4.228 1.00 2.90 C ATOM 1502 O HIS A 102 10.329 -15.893 3.470 1.00 3.23 O ATOM 1503 CB HIS A 102 9.763 -14.867 6.725 1.00 2.94 C ATOM 1504 CG HIS A 102 8.377 -14.358 6.981 1.00 3.11 C ATOM 1505 ND1 HIS A 102 7.315 -15.169 7.309 1.00 3.76 N ATOM 1506 CD2 HIS A 102 7.897 -13.099 6.976 1.00 3.06 C ATOM 1507 CE1 HIS A 102 6.239 -14.426 7.494 1.00 4.18 C ATOM 1508 NE2 HIS A 102 6.567 -13.163 7.299 1.00 3.79 N ATOM 1509 OXT HIS A 102 8.438 -14.972 4.066 1.00 3.31 O ATOM 0 H HIS A 102 9.701 -12.731 4.387 1.00 2.10 H new ATOM 0 HA HIS A 102 11.415 -14.744 5.384 1.00 2.55 H new ATOM 0 HB2 HIS A 102 9.752 -15.955 6.784 1.00 2.94 H new ATOM 0 HB3 HIS A 102 10.418 -14.511 7.520 1.00 2.94 H new ATOM 0 HD2 HIS A 102 8.458 -12.203 6.757 1.00 3.06 H new ATOM 0 HE1 HIS A 102 5.258 -14.790 7.760 1.00 4.18 H new ATOM 0 HE2 HIS A 102 5.935 -12.366 7.376 1.00 3.79 H new TER 1518 HIS A 102