USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 52 TYR OH : rot -113:sc= 1.31 USER MOD Set 1.2: A 66 HIS : no HE2:sc= 0.0272 K(o=1.3,f=0.046) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.8) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0188 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.7) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -68:sc= 0.0566 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.548 F(o=0,f=0.55) USER MOD Single : A 10 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.15) USER MOD Single : A 22 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.2) USER MOD Single : A 34 THR OG1 : rot -49:sc= 0.338 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 37 MET CE :methyl -171:sc= -0.0132 (180deg=-0.0896) USER MOD Single : A 41 HIS : no HD1:sc= -9.27! C(o=-9.3!,f=-12!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.1) USER MOD Single : A 55 GLN : amide:sc= -7.03! C(o=-7!,f=-10!) USER MOD Single : A 56 MET CE :methyl -133:sc= -3.08! (180deg=-3.62!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.367 -12.803 0.156 1.00 1.82 N ATOM 2 CA MET A 1 -5.021 -11.467 0.016 1.00 1.87 C ATOM 3 C MET A 1 -5.174 -11.104 -1.469 1.00 1.68 C ATOM 4 O MET A 1 -4.368 -11.486 -2.297 1.00 1.68 O ATOM 5 CB MET A 1 -4.088 -10.481 0.729 1.00 2.16 C ATOM 6 CG MET A 1 -4.547 -10.307 2.181 1.00 2.63 C ATOM 7 SD MET A 1 -4.324 -8.583 2.691 1.00 3.55 S ATOM 8 CE MET A 1 -6.000 -8.325 3.329 1.00 3.90 C ATOM 0 H1 MET A 1 -3.822 -12.832 1.041 1.00 1.82 H new ATOM 0 H2 MET A 1 -5.095 -13.546 0.173 1.00 1.82 H new ATOM 0 H3 MET A 1 -3.728 -12.963 -0.649 1.00 1.82 H new ATOM 0 HA MET A 1 -6.022 -11.451 0.447 1.00 1.87 H new ATOM 0 HB2 MET A 1 -3.062 -10.849 0.702 1.00 2.16 H new ATOM 0 HB3 MET A 1 -4.096 -9.520 0.216 1.00 2.16 H new ATOM 0 HG2 MET A 1 -5.595 -10.592 2.278 1.00 2.63 H new ATOM 0 HG3 MET A 1 -3.976 -10.966 2.834 1.00 2.63 H new ATOM 0 HE1 MET A 1 -6.094 -7.306 3.704 1.00 3.90 H new ATOM 0 HE2 MET A 1 -6.723 -8.485 2.529 1.00 3.90 H new ATOM 0 HE3 MET A 1 -6.194 -9.029 4.138 1.00 3.90 H new ATOM 17 N ASP A 2 -6.210 -10.377 -1.806 1.00 1.74 N ATOM 18 CA ASP A 2 -6.437 -9.991 -3.235 1.00 1.63 C ATOM 19 C ASP A 2 -5.928 -8.566 -3.504 1.00 1.40 C ATOM 20 O ASP A 2 -5.633 -7.818 -2.590 1.00 1.41 O ATOM 21 CB ASP A 2 -7.958 -10.076 -3.433 1.00 1.79 C ATOM 22 CG ASP A 2 -8.650 -8.907 -2.720 1.00 1.75 C ATOM 23 OD1 ASP A 2 -8.823 -8.989 -1.516 1.00 1.83 O ATOM 24 OD2 ASP A 2 -8.992 -7.952 -3.393 1.00 1.72 O ATOM 0 H ASP A 2 -6.912 -10.032 -1.151 1.00 1.74 H new ATOM 0 HA ASP A 2 -5.899 -10.642 -3.924 1.00 1.63 H new ATOM 0 HB2 ASP A 2 -8.196 -10.055 -4.497 1.00 1.79 H new ATOM 0 HB3 ASP A 2 -8.331 -11.023 -3.042 1.00 1.79 H new ATOM 29 N HIS A 3 -5.826 -8.192 -4.756 1.00 1.34 N ATOM 30 CA HIS A 3 -5.337 -6.819 -5.104 1.00 1.16 C ATOM 31 C HIS A 3 -6.456 -5.968 -5.739 1.00 1.14 C ATOM 32 O HIS A 3 -6.224 -4.851 -6.162 1.00 1.24 O ATOM 33 CB HIS A 3 -4.192 -7.054 -6.104 1.00 1.31 C ATOM 34 CG HIS A 3 -4.738 -7.555 -7.419 1.00 1.60 C ATOM 35 ND1 HIS A 3 -5.133 -6.697 -8.434 1.00 1.69 N ATOM 36 CD2 HIS A 3 -4.955 -8.825 -7.898 1.00 1.97 C ATOM 37 CE1 HIS A 3 -5.560 -7.453 -9.461 1.00 2.04 C ATOM 38 NE2 HIS A 3 -5.473 -8.757 -9.187 1.00 2.21 N ATOM 0 H HIS A 3 -6.061 -8.780 -5.556 1.00 1.34 H new ATOM 0 HA HIS A 3 -5.010 -6.269 -4.222 1.00 1.16 H new ATOM 0 HB2 HIS A 3 -3.641 -6.126 -6.261 1.00 1.31 H new ATOM 0 HB3 HIS A 3 -3.487 -7.778 -5.696 1.00 1.31 H new ATOM 0 HD2 HIS A 3 -4.754 -9.737 -7.356 1.00 1.97 H new ATOM 0 HE1 HIS A 3 -5.929 -7.054 -10.394 1.00 2.04 H new ATOM 0 HE2 HIS A 3 -5.731 -9.536 -9.793 1.00 2.21 H new ATOM 46 N SER A 4 -7.665 -6.480 -5.807 1.00 1.18 N ATOM 47 CA SER A 4 -8.785 -5.695 -6.415 1.00 1.21 C ATOM 48 C SER A 4 -9.465 -4.817 -5.356 1.00 1.03 C ATOM 49 O SER A 4 -9.725 -3.652 -5.584 1.00 1.07 O ATOM 50 CB SER A 4 -9.764 -6.742 -6.953 1.00 1.46 C ATOM 51 OG SER A 4 -9.741 -6.719 -8.373 1.00 2.05 O ATOM 0 H SER A 4 -7.922 -7.407 -5.467 1.00 1.18 H new ATOM 0 HA SER A 4 -8.433 -5.025 -7.199 1.00 1.21 H new ATOM 0 HB2 SER A 4 -9.491 -7.733 -6.589 1.00 1.46 H new ATOM 0 HB3 SER A 4 -10.771 -6.535 -6.591 1.00 1.46 H new ATOM 0 HG SER A 4 -10.365 -7.389 -8.721 1.00 2.05 H new ATOM 57 N LEU A 5 -9.757 -5.368 -4.203 1.00 0.92 N ATOM 58 CA LEU A 5 -10.426 -4.569 -3.129 1.00 0.85 C ATOM 59 C LEU A 5 -9.400 -4.089 -2.092 1.00 0.73 C ATOM 60 O LEU A 5 -9.501 -2.991 -1.578 1.00 0.83 O ATOM 61 CB LEU A 5 -11.432 -5.528 -2.478 1.00 0.95 C ATOM 62 CG LEU A 5 -12.818 -5.377 -3.126 1.00 1.13 C ATOM 63 CD1 LEU A 5 -13.337 -3.950 -2.924 1.00 1.23 C ATOM 64 CD2 LEU A 5 -12.727 -5.682 -4.625 1.00 1.29 C ATOM 0 H LEU A 5 -9.560 -6.339 -3.959 1.00 0.92 H new ATOM 0 HA LEU A 5 -10.910 -3.679 -3.531 1.00 0.85 H new ATOM 0 HB2 LEU A 5 -11.085 -6.556 -2.584 1.00 0.95 H new ATOM 0 HB3 LEU A 5 -11.499 -5.323 -1.410 1.00 0.95 H new ATOM 0 HG LEU A 5 -13.507 -6.079 -2.656 1.00 1.13 H new ATOM 0 HD11 LEU A 5 -14.319 -3.851 -3.386 1.00 1.23 H new ATOM 0 HD12 LEU A 5 -13.415 -3.739 -1.858 1.00 1.23 H new ATOM 0 HD13 LEU A 5 -12.647 -3.243 -3.385 1.00 1.23 H new ATOM 0 HD21 LEU A 5 -13.712 -5.573 -5.079 1.00 1.29 H new ATOM 0 HD22 LEU A 5 -12.032 -4.987 -5.096 1.00 1.29 H new ATOM 0 HD23 LEU A 5 -12.372 -6.703 -4.768 1.00 1.29 H new ATOM 76 N ASN A 6 -8.426 -4.908 -1.770 1.00 0.64 N ATOM 77 CA ASN A 6 -7.403 -4.500 -0.755 1.00 0.62 C ATOM 78 C ASN A 6 -6.420 -3.480 -1.344 1.00 0.52 C ATOM 79 O ASN A 6 -6.207 -2.426 -0.777 1.00 0.59 O ATOM 80 CB ASN A 6 -6.670 -5.788 -0.376 1.00 0.71 C ATOM 81 CG ASN A 6 -6.185 -5.685 1.070 1.00 0.91 C ATOM 82 OD1 ASN A 6 -6.979 -5.604 1.986 1.00 1.27 O ATOM 83 ND2 ASN A 6 -4.904 -5.683 1.318 1.00 1.31 N ATOM 0 H ASN A 6 -8.296 -5.839 -2.165 1.00 0.64 H new ATOM 0 HA ASN A 6 -7.867 -4.023 0.109 1.00 0.62 H new ATOM 0 HB2 ASN A 6 -7.334 -6.645 -0.489 1.00 0.71 H new ATOM 0 HB3 ASN A 6 -5.825 -5.949 -1.045 1.00 0.71 H new ATOM 0 HD21 ASN A 6 -4.571 -5.614 2.280 1.00 1.31 H new ATOM 0 HD22 ASN A 6 -4.236 -5.751 0.550 1.00 1.31 H new ATOM 90 N SER A 7 -5.819 -3.784 -2.472 1.00 0.49 N ATOM 91 CA SER A 7 -4.848 -2.823 -3.087 1.00 0.48 C ATOM 92 C SER A 7 -5.550 -1.508 -3.448 1.00 0.44 C ATOM 93 O SER A 7 -4.963 -0.450 -3.370 1.00 0.54 O ATOM 94 CB SER A 7 -4.326 -3.513 -4.348 1.00 0.56 C ATOM 95 OG SER A 7 -2.929 -3.276 -4.467 1.00 0.83 O ATOM 0 H SER A 7 -5.958 -4.651 -2.990 1.00 0.49 H new ATOM 0 HA SER A 7 -4.039 -2.574 -2.400 1.00 0.48 H new ATOM 0 HB2 SER A 7 -4.522 -4.584 -4.299 1.00 0.56 H new ATOM 0 HB3 SER A 7 -4.847 -3.134 -5.227 1.00 0.56 H new ATOM 0 HG SER A 7 -2.773 -2.326 -4.652 1.00 0.83 H new ATOM 101 N LEU A 8 -6.803 -1.568 -3.835 1.00 0.42 N ATOM 102 CA LEU A 8 -7.542 -0.318 -4.195 1.00 0.43 C ATOM 103 C LEU A 8 -7.743 0.556 -2.951 1.00 0.41 C ATOM 104 O LEU A 8 -7.422 1.729 -2.955 1.00 0.49 O ATOM 105 CB LEU A 8 -8.887 -0.794 -4.743 1.00 0.50 C ATOM 106 CG LEU A 8 -9.508 0.301 -5.614 1.00 0.70 C ATOM 107 CD1 LEU A 8 -9.772 -0.253 -7.018 1.00 1.20 C ATOM 108 CD2 LEU A 8 -10.824 0.767 -4.984 1.00 0.96 C ATOM 0 H LEU A 8 -7.344 -2.429 -3.917 1.00 0.42 H new ATOM 0 HA LEU A 8 -7.000 0.287 -4.922 1.00 0.43 H new ATOM 0 HB2 LEU A 8 -8.750 -1.703 -5.328 1.00 0.50 H new ATOM 0 HB3 LEU A 8 -9.558 -1.042 -3.921 1.00 0.50 H new ATOM 0 HG LEU A 8 -8.823 1.146 -5.684 1.00 0.70 H new ATOM 0 HD11 LEU A 8 -10.214 0.526 -7.639 1.00 1.20 H new ATOM 0 HD12 LEU A 8 -8.832 -0.582 -7.462 1.00 1.20 H new ATOM 0 HD13 LEU A 8 -10.457 -1.098 -6.953 1.00 1.20 H new ATOM 0 HD21 LEU A 8 -11.268 1.547 -5.603 1.00 0.96 H new ATOM 0 HD22 LEU A 8 -11.512 -0.075 -4.913 1.00 0.96 H new ATOM 0 HD23 LEU A 8 -10.630 1.162 -3.987 1.00 0.96 H new ATOM 120 N ASN A 9 -8.266 -0.012 -1.888 1.00 0.40 N ATOM 121 CA ASN A 9 -8.484 0.782 -0.636 1.00 0.45 C ATOM 122 C ASN A 9 -7.148 1.329 -0.120 1.00 0.41 C ATOM 123 O ASN A 9 -7.051 2.476 0.277 1.00 0.45 O ATOM 124 CB ASN A 9 -9.082 -0.205 0.373 1.00 0.54 C ATOM 125 CG ASN A 9 -10.611 -0.153 0.294 1.00 0.76 C ATOM 126 OD1 ASN A 9 -11.268 0.638 1.099 1.00 1.08 O flip ATOM 127 ND2 ASN A 9 -11.214 -0.841 -0.507 1.00 1.17 N flip ATOM 0 H ASN A 9 -8.551 -0.990 -1.834 1.00 0.40 H new ATOM 0 HA ASN A 9 -9.140 1.637 -0.803 1.00 0.45 H new ATOM 0 HB2 ASN A 9 -8.730 -1.215 0.162 1.00 0.54 H new ATOM 0 HB3 ASN A 9 -8.751 0.044 1.381 1.00 0.54 H new ATOM 0 HD21 ASN A 9 -10.702 -1.459 -1.136 1.00 1.17 H new ATOM 0 HD22 ASN A 9 -12.232 -0.800 -0.550 1.00 1.17 H new ATOM 134 N ASN A 10 -6.117 0.519 -0.136 1.00 0.40 N ATOM 135 CA ASN A 10 -4.780 0.988 0.340 1.00 0.41 C ATOM 136 C ASN A 10 -4.247 2.079 -0.596 1.00 0.38 C ATOM 137 O ASN A 10 -3.739 3.087 -0.149 1.00 0.43 O ATOM 138 CB ASN A 10 -3.877 -0.251 0.294 1.00 0.47 C ATOM 139 CG ASN A 10 -2.490 0.101 0.841 1.00 0.51 C ATOM 140 OD1 ASN A 10 -2.218 -0.095 2.009 1.00 0.67 O ATOM 141 ND2 ASN A 10 -1.595 0.617 0.041 1.00 0.52 N ATOM 0 H ASN A 10 -6.145 -0.448 -0.459 1.00 0.40 H new ATOM 0 HA ASN A 10 -4.824 1.416 1.341 1.00 0.41 H new ATOM 0 HB2 ASN A 10 -4.317 -1.056 0.883 1.00 0.47 H new ATOM 0 HB3 ASN A 10 -3.793 -0.614 -0.730 1.00 0.47 H new ATOM 0 HD21 ASN A 10 -0.669 0.855 0.397 1.00 0.52 H new ATOM 0 HD22 ASN A 10 -1.822 0.782 -0.940 1.00 0.52 H new ATOM 148 N PHE A 11 -4.361 1.880 -1.889 1.00 0.36 N ATOM 149 CA PHE A 11 -3.860 2.902 -2.862 1.00 0.37 C ATOM 150 C PHE A 11 -4.519 4.268 -2.619 1.00 0.37 C ATOM 151 O PHE A 11 -3.902 5.292 -2.808 1.00 0.43 O ATOM 152 CB PHE A 11 -4.242 2.367 -4.248 1.00 0.41 C ATOM 153 CG PHE A 11 -3.341 2.976 -5.298 1.00 0.37 C ATOM 154 CD1 PHE A 11 -3.445 4.338 -5.612 1.00 0.44 C ATOM 155 CD2 PHE A 11 -2.399 2.179 -5.958 1.00 0.40 C ATOM 156 CE1 PHE A 11 -2.609 4.898 -6.583 1.00 0.48 C ATOM 157 CE2 PHE A 11 -1.564 2.741 -6.929 1.00 0.43 C ATOM 158 CZ PHE A 11 -1.668 4.101 -7.241 1.00 0.45 C ATOM 0 H PHE A 11 -4.780 1.052 -2.312 1.00 0.36 H new ATOM 0 HA PHE A 11 -2.785 3.053 -2.761 1.00 0.37 H new ATOM 0 HB2 PHE A 11 -4.154 1.281 -4.266 1.00 0.41 H new ATOM 0 HB3 PHE A 11 -5.283 2.606 -4.466 1.00 0.41 H new ATOM 0 HD1 PHE A 11 -4.171 4.955 -5.104 1.00 0.44 H new ATOM 0 HD2 PHE A 11 -2.317 1.129 -5.717 1.00 0.40 H new ATOM 0 HE1 PHE A 11 -2.690 5.947 -6.825 1.00 0.48 H new ATOM 0 HE2 PHE A 11 -0.838 2.125 -7.439 1.00 0.43 H new ATOM 0 HZ PHE A 11 -1.022 4.535 -7.990 1.00 0.45 H new ATOM 168 N ASP A 12 -5.764 4.293 -2.210 1.00 0.38 N ATOM 169 CA ASP A 12 -6.449 5.604 -1.969 1.00 0.42 C ATOM 170 C ASP A 12 -5.812 6.345 -0.784 1.00 0.40 C ATOM 171 O ASP A 12 -5.327 7.455 -0.928 1.00 0.42 O ATOM 172 CB ASP A 12 -7.908 5.248 -1.660 1.00 0.49 C ATOM 173 CG ASP A 12 -8.708 5.177 -2.964 1.00 0.73 C ATOM 174 OD1 ASP A 12 -9.063 6.226 -3.476 1.00 1.19 O ATOM 175 OD2 ASP A 12 -8.952 4.077 -3.427 1.00 0.97 O ATOM 0 H ASP A 12 -6.335 3.466 -2.033 1.00 0.38 H new ATOM 0 HA ASP A 12 -6.364 6.266 -2.831 1.00 0.42 H new ATOM 0 HB2 ASP A 12 -7.957 4.292 -1.139 1.00 0.49 H new ATOM 0 HB3 ASP A 12 -8.342 5.995 -0.996 1.00 0.49 H new ATOM 180 N PHE A 13 -5.812 5.746 0.384 1.00 0.40 N ATOM 181 CA PHE A 13 -5.212 6.425 1.578 1.00 0.42 C ATOM 182 C PHE A 13 -3.688 6.553 1.427 1.00 0.38 C ATOM 183 O PHE A 13 -3.090 7.489 1.929 1.00 0.41 O ATOM 184 CB PHE A 13 -5.615 5.553 2.787 1.00 0.46 C ATOM 185 CG PHE A 13 -4.425 4.826 3.384 1.00 0.43 C ATOM 186 CD1 PHE A 13 -3.574 5.485 4.285 1.00 0.49 C ATOM 187 CD2 PHE A 13 -4.190 3.486 3.057 1.00 0.43 C ATOM 188 CE1 PHE A 13 -2.495 4.801 4.854 1.00 0.52 C ATOM 189 CE2 PHE A 13 -3.108 2.806 3.624 1.00 0.46 C ATOM 190 CZ PHE A 13 -2.263 3.462 4.524 1.00 0.49 C ATOM 0 H PHE A 13 -6.200 4.820 0.562 1.00 0.40 H new ATOM 0 HA PHE A 13 -5.573 7.446 1.700 1.00 0.42 H new ATOM 0 HB2 PHE A 13 -6.076 6.181 3.549 1.00 0.46 H new ATOM 0 HB3 PHE A 13 -6.365 4.826 2.476 1.00 0.46 H new ATOM 0 HD1 PHE A 13 -3.752 6.520 4.539 1.00 0.49 H new ATOM 0 HD2 PHE A 13 -4.845 2.976 2.366 1.00 0.43 H new ATOM 0 HE1 PHE A 13 -1.841 5.307 5.548 1.00 0.52 H new ATOM 0 HE2 PHE A 13 -2.925 1.773 3.367 1.00 0.46 H new ATOM 0 HZ PHE A 13 -1.430 2.934 4.965 1.00 0.49 H new ATOM 200 N LEU A 14 -3.051 5.639 0.737 1.00 0.34 N ATOM 201 CA LEU A 14 -1.574 5.753 0.572 1.00 0.31 C ATOM 202 C LEU A 14 -1.237 6.703 -0.578 1.00 0.31 C ATOM 203 O LEU A 14 -0.250 7.385 -0.522 1.00 0.33 O ATOM 204 CB LEU A 14 -1.053 4.344 0.270 1.00 0.29 C ATOM 205 CG LEU A 14 0.220 4.052 1.092 1.00 0.31 C ATOM 206 CD1 LEU A 14 0.978 5.343 1.422 1.00 0.35 C ATOM 207 CD2 LEU A 14 -0.183 3.356 2.392 1.00 0.41 C ATOM 0 H LEU A 14 -3.484 4.832 0.288 1.00 0.34 H new ATOM 0 HA LEU A 14 -1.111 6.156 1.473 1.00 0.31 H new ATOM 0 HB2 LEU A 14 -1.822 3.607 0.504 1.00 0.29 H new ATOM 0 HB3 LEU A 14 -0.836 4.250 -0.794 1.00 0.29 H new ATOM 0 HG LEU A 14 0.878 3.414 0.502 1.00 0.31 H new ATOM 0 HD11 LEU A 14 1.870 5.103 2.002 1.00 0.35 H new ATOM 0 HD12 LEU A 14 1.269 5.840 0.497 1.00 0.35 H new ATOM 0 HD13 LEU A 14 0.335 6.004 2.003 1.00 0.35 H new ATOM 0 HD21 LEU A 14 0.708 3.144 2.983 1.00 0.41 H new ATOM 0 HD22 LEU A 14 -0.849 4.005 2.961 1.00 0.41 H new ATOM 0 HD23 LEU A 14 -0.696 2.422 2.161 1.00 0.41 H new ATOM 219 N ALA A 15 -2.040 6.761 -1.617 1.00 0.34 N ATOM 220 CA ALA A 15 -1.724 7.693 -2.753 1.00 0.36 C ATOM 221 C ALA A 15 -1.357 9.075 -2.198 1.00 0.36 C ATOM 222 O ALA A 15 -0.320 9.632 -2.521 1.00 0.36 O ATOM 223 CB ALA A 15 -3.003 7.770 -3.592 1.00 0.42 C ATOM 0 H ALA A 15 -2.891 6.211 -1.728 1.00 0.34 H new ATOM 0 HA ALA A 15 -0.880 7.346 -3.350 1.00 0.36 H new ATOM 0 HB1 ALA A 15 -2.842 8.435 -4.440 1.00 0.42 H new ATOM 0 HB2 ALA A 15 -3.260 6.775 -3.955 1.00 0.42 H new ATOM 0 HB3 ALA A 15 -3.818 8.154 -2.979 1.00 0.42 H new ATOM 229 N ARG A 16 -2.191 9.615 -1.342 1.00 0.40 N ATOM 230 CA ARG A 16 -1.891 10.952 -0.731 1.00 0.43 C ATOM 231 C ARG A 16 -0.659 10.858 0.188 1.00 0.40 C ATOM 232 O ARG A 16 0.167 11.753 0.215 1.00 0.44 O ATOM 233 CB ARG A 16 -3.142 11.357 0.078 1.00 0.49 C ATOM 234 CG ARG A 16 -3.695 10.167 0.882 1.00 0.49 C ATOM 235 CD ARG A 16 -3.630 10.466 2.384 1.00 0.61 C ATOM 236 NE ARG A 16 -4.627 11.553 2.621 1.00 0.87 N ATOM 237 CZ ARG A 16 -4.640 12.190 3.764 1.00 1.44 C ATOM 238 NH1 ARG A 16 -3.870 13.235 3.940 1.00 2.09 N ATOM 239 NH2 ARG A 16 -5.424 11.779 4.729 1.00 2.06 N ATOM 0 H ARG A 16 -3.067 9.189 -1.039 1.00 0.40 H new ATOM 0 HA ARG A 16 -1.665 11.693 -1.498 1.00 0.43 H new ATOM 0 HB2 ARG A 16 -2.891 12.172 0.757 1.00 0.49 H new ATOM 0 HB3 ARG A 16 -3.911 11.730 -0.599 1.00 0.49 H new ATOM 0 HG2 ARG A 16 -4.725 9.968 0.588 1.00 0.49 H new ATOM 0 HG3 ARG A 16 -3.120 9.269 0.658 1.00 0.49 H new ATOM 0 HD2 ARG A 16 -3.870 9.579 2.971 1.00 0.61 H new ATOM 0 HD3 ARG A 16 -2.629 10.781 2.678 1.00 0.61 H new ATOM 0 HE ARG A 16 -5.297 11.799 1.892 1.00 0.87 H new ATOM 0 HH11 ARG A 16 -3.260 13.552 3.186 1.00 2.09 H new ATOM 0 HH12 ARG A 16 -3.880 13.732 4.831 1.00 2.09 H new ATOM 0 HH21 ARG A 16 -6.022 10.965 4.588 1.00 2.06 H new ATOM 0 HH22 ARG A 16 -5.437 12.273 5.621 1.00 2.06 H new ATOM 253 N SER A 17 -0.526 9.784 0.935 1.00 0.37 N ATOM 254 CA SER A 17 0.656 9.638 1.848 1.00 0.37 C ATOM 255 C SER A 17 1.928 9.259 1.063 1.00 0.35 C ATOM 256 O SER A 17 3.025 9.562 1.484 1.00 0.44 O ATOM 257 CB SER A 17 0.274 8.519 2.819 1.00 0.39 C ATOM 258 OG SER A 17 0.767 8.831 4.113 1.00 1.01 O ATOM 0 H SER A 17 -1.183 9.004 0.952 1.00 0.37 H new ATOM 0 HA SER A 17 0.882 10.573 2.361 1.00 0.37 H new ATOM 0 HB2 SER A 17 -0.809 8.402 2.849 1.00 0.39 H new ATOM 0 HB3 SER A 17 0.688 7.570 2.479 1.00 0.39 H new ATOM 0 HG SER A 17 0.522 8.116 4.737 1.00 1.01 H new ATOM 264 N PHE A 18 1.789 8.599 -0.065 1.00 0.29 N ATOM 265 CA PHE A 18 2.984 8.195 -0.876 1.00 0.28 C ATOM 266 C PHE A 18 3.799 9.437 -1.255 1.00 0.30 C ATOM 267 O PHE A 18 4.997 9.491 -1.049 1.00 0.33 O ATOM 268 CB PHE A 18 2.425 7.535 -2.143 1.00 0.29 C ATOM 269 CG PHE A 18 2.515 6.030 -2.026 1.00 0.27 C ATOM 270 CD1 PHE A 18 3.763 5.393 -2.022 1.00 0.29 C ATOM 271 CD2 PHE A 18 1.347 5.271 -1.920 1.00 0.30 C ATOM 272 CE1 PHE A 18 3.836 3.998 -1.910 1.00 0.30 C ATOM 273 CE2 PHE A 18 1.422 3.881 -1.810 1.00 0.32 C ATOM 274 CZ PHE A 18 2.662 3.244 -1.805 1.00 0.31 C ATOM 0 H PHE A 18 0.891 8.321 -0.461 1.00 0.29 H new ATOM 0 HA PHE A 18 3.638 7.521 -0.323 1.00 0.28 H new ATOM 0 HB2 PHE A 18 1.388 7.835 -2.292 1.00 0.29 H new ATOM 0 HB3 PHE A 18 2.983 7.874 -3.016 1.00 0.29 H new ATOM 0 HD1 PHE A 18 4.668 5.977 -2.105 1.00 0.29 H new ATOM 0 HD2 PHE A 18 0.384 5.760 -1.923 1.00 0.30 H new ATOM 0 HE1 PHE A 18 4.797 3.506 -1.905 1.00 0.30 H new ATOM 0 HE2 PHE A 18 0.517 3.298 -1.729 1.00 0.32 H new ATOM 0 HZ PHE A 18 2.716 2.169 -1.720 1.00 0.31 H new ATOM 284 N ALA A 19 3.144 10.436 -1.805 1.00 0.33 N ATOM 285 CA ALA A 19 3.864 11.688 -2.197 1.00 0.36 C ATOM 286 C ALA A 19 4.383 12.413 -0.948 1.00 0.37 C ATOM 287 O ALA A 19 5.452 12.994 -0.962 1.00 0.40 O ATOM 288 CB ALA A 19 2.820 12.545 -2.918 1.00 0.41 C ATOM 0 H ALA A 19 2.142 10.436 -1.998 1.00 0.33 H new ATOM 0 HA ALA A 19 4.727 11.483 -2.830 1.00 0.36 H new ATOM 0 HB1 ALA A 19 3.276 13.483 -3.236 1.00 0.41 H new ATOM 0 HB2 ALA A 19 2.448 12.008 -3.791 1.00 0.41 H new ATOM 0 HB3 ALA A 19 1.992 12.755 -2.241 1.00 0.41 H new ATOM 294 N ARG A 20 3.636 12.378 0.134 1.00 0.37 N ATOM 295 CA ARG A 20 4.092 13.059 1.388 1.00 0.40 C ATOM 296 C ARG A 20 5.300 12.323 1.982 1.00 0.37 C ATOM 297 O ARG A 20 6.244 12.937 2.444 1.00 0.39 O ATOM 298 CB ARG A 20 2.900 12.993 2.346 1.00 0.46 C ATOM 299 CG ARG A 20 2.985 14.160 3.332 1.00 0.56 C ATOM 300 CD ARG A 20 1.616 14.389 3.981 1.00 0.85 C ATOM 301 NE ARG A 20 1.681 13.681 5.292 1.00 1.24 N ATOM 302 CZ ARG A 20 0.759 12.812 5.610 1.00 1.81 C ATOM 303 NH1 ARG A 20 0.891 11.563 5.252 1.00 2.34 N ATOM 304 NH2 ARG A 20 -0.290 13.194 6.288 1.00 2.44 N ATOM 0 H ARG A 20 2.733 11.908 0.201 1.00 0.37 H new ATOM 0 HA ARG A 20 4.403 14.087 1.203 1.00 0.40 H new ATOM 0 HB2 ARG A 20 1.965 13.040 1.787 1.00 0.46 H new ATOM 0 HB3 ARG A 20 2.902 12.045 2.884 1.00 0.46 H new ATOM 0 HG2 ARG A 20 3.730 13.948 4.098 1.00 0.56 H new ATOM 0 HG3 ARG A 20 3.308 15.063 2.814 1.00 0.56 H new ATOM 0 HD2 ARG A 20 1.418 15.452 4.117 1.00 0.85 H new ATOM 0 HD3 ARG A 20 0.814 13.992 3.359 1.00 0.85 H new ATOM 0 HE ARG A 20 2.445 13.875 5.940 1.00 1.24 H new ATOM 0 HH11 ARG A 20 1.713 11.268 4.725 1.00 2.34 H new ATOM 0 HH12 ARG A 20 0.172 10.883 5.499 1.00 2.34 H new ATOM 0 HH21 ARG A 20 -0.388 14.170 6.568 1.00 2.44 H new ATOM 0 HH22 ARG A 20 -1.011 12.517 6.537 1.00 2.44 H new ATOM 318 N MET A 21 5.279 11.010 1.959 1.00 0.38 N ATOM 319 CA MET A 21 6.426 10.216 2.504 1.00 0.38 C ATOM 320 C MET A 21 7.694 10.481 1.677 1.00 0.36 C ATOM 321 O MET A 21 8.799 10.320 2.156 1.00 0.42 O ATOM 322 CB MET A 21 5.995 8.753 2.374 1.00 0.44 C ATOM 323 CG MET A 21 4.918 8.437 3.417 1.00 0.50 C ATOM 324 SD MET A 21 5.557 7.226 4.600 1.00 0.71 S ATOM 325 CE MET A 21 4.231 7.378 5.822 1.00 1.13 C ATOM 0 H MET A 21 4.512 10.452 1.584 1.00 0.38 H new ATOM 0 HA MET A 21 6.658 10.481 3.536 1.00 0.38 H new ATOM 0 HB2 MET A 21 5.610 8.565 1.372 1.00 0.44 H new ATOM 0 HB3 MET A 21 6.854 8.097 2.514 1.00 0.44 H new ATOM 0 HG2 MET A 21 4.623 9.348 3.937 1.00 0.50 H new ATOM 0 HG3 MET A 21 4.026 8.046 2.927 1.00 0.50 H new ATOM 0 HE1 MET A 21 4.426 6.704 6.656 1.00 1.13 H new ATOM 0 HE2 MET A 21 4.188 8.404 6.187 1.00 1.13 H new ATOM 0 HE3 MET A 21 3.279 7.117 5.360 1.00 1.13 H new ATOM 335 N HIS A 22 7.533 10.895 0.439 1.00 0.36 N ATOM 336 CA HIS A 22 8.714 11.188 -0.430 1.00 0.40 C ATOM 337 C HIS A 22 9.571 12.299 0.194 1.00 0.43 C ATOM 338 O HIS A 22 10.786 12.221 0.207 1.00 0.55 O ATOM 339 CB HIS A 22 8.113 11.652 -1.761 1.00 0.46 C ATOM 340 CG HIS A 22 9.090 11.406 -2.878 1.00 0.56 C ATOM 341 ND1 HIS A 22 8.970 10.328 -3.740 1.00 0.65 N ATOM 342 CD2 HIS A 22 10.198 12.099 -3.294 1.00 0.74 C ATOM 343 CE1 HIS A 22 9.981 10.404 -4.625 1.00 0.79 C ATOM 344 NE2 HIS A 22 10.760 11.465 -4.399 1.00 0.84 N ATOM 0 H HIS A 22 6.627 11.042 -0.006 1.00 0.36 H new ATOM 0 HA HIS A 22 9.365 10.322 -0.554 1.00 0.40 H new ATOM 0 HB2 HIS A 22 7.183 11.118 -1.956 1.00 0.46 H new ATOM 0 HB3 HIS A 22 7.867 12.713 -1.709 1.00 0.46 H new ATOM 0 HD2 HIS A 22 10.577 13.000 -2.834 1.00 0.74 H new ATOM 0 HE1 HIS A 22 10.143 9.693 -5.422 1.00 0.79 H new ATOM 0 HE2 HIS A 22 11.588 11.749 -4.923 1.00 0.84 H new ATOM 352 N ALA A 23 8.944 13.324 0.716 1.00 0.43 N ATOM 353 CA ALA A 23 9.711 14.442 1.348 1.00 0.53 C ATOM 354 C ALA A 23 10.075 14.093 2.800 1.00 0.51 C ATOM 355 O ALA A 23 11.084 14.537 3.315 1.00 0.66 O ATOM 356 CB ALA A 23 8.768 15.646 1.310 1.00 0.61 C ATOM 0 H ALA A 23 7.930 13.435 0.732 1.00 0.43 H new ATOM 0 HA ALA A 23 10.647 14.639 0.826 1.00 0.53 H new ATOM 0 HB1 ALA A 23 9.261 16.509 1.758 1.00 0.61 H new ATOM 0 HB2 ALA A 23 8.509 15.872 0.276 1.00 0.61 H new ATOM 0 HB3 ALA A 23 7.861 15.416 1.869 1.00 0.61 H new ATOM 362 N GLU A 24 9.260 13.304 3.462 1.00 0.44 N ATOM 363 CA GLU A 24 9.555 12.929 4.883 1.00 0.48 C ATOM 364 C GLU A 24 10.707 11.916 4.959 1.00 0.47 C ATOM 365 O GLU A 24 11.414 11.850 5.947 1.00 0.56 O ATOM 366 CB GLU A 24 8.262 12.291 5.399 1.00 0.51 C ATOM 367 CG GLU A 24 7.212 13.375 5.661 1.00 0.56 C ATOM 368 CD GLU A 24 5.961 12.738 6.272 1.00 0.71 C ATOM 369 OE1 GLU A 24 5.139 12.246 5.514 1.00 0.85 O ATOM 370 OE2 GLU A 24 5.846 12.750 7.487 1.00 1.03 O ATOM 0 H GLU A 24 8.403 12.904 3.079 1.00 0.44 H new ATOM 0 HA GLU A 24 9.860 13.794 5.471 1.00 0.48 H new ATOM 0 HB2 GLU A 24 7.884 11.575 4.669 1.00 0.51 H new ATOM 0 HB3 GLU A 24 8.461 11.736 6.316 1.00 0.51 H new ATOM 0 HG2 GLU A 24 7.615 14.131 6.336 1.00 0.56 H new ATOM 0 HG3 GLU A 24 6.957 13.882 4.730 1.00 0.56 H new ATOM 377 N GLY A 25 10.896 11.122 3.932 1.00 0.43 N ATOM 378 CA GLY A 25 11.994 10.108 3.952 1.00 0.47 C ATOM 379 C GLY A 25 11.521 8.855 4.701 1.00 0.46 C ATOM 380 O GLY A 25 12.293 8.194 5.370 1.00 0.65 O ATOM 0 H GLY A 25 10.335 11.134 3.080 1.00 0.43 H new ATOM 0 HA2 GLY A 25 12.282 9.848 2.933 1.00 0.47 H new ATOM 0 HA3 GLY A 25 12.877 10.523 4.437 1.00 0.47 H new ATOM 384 N ARG A 26 10.254 8.527 4.589 1.00 0.34 N ATOM 385 CA ARG A 26 9.715 7.319 5.286 1.00 0.33 C ATOM 386 C ARG A 26 9.501 6.186 4.276 1.00 0.32 C ATOM 387 O ARG A 26 9.256 6.444 3.115 1.00 0.33 O ATOM 388 CB ARG A 26 8.372 7.764 5.871 1.00 0.36 C ATOM 389 CG ARG A 26 8.601 8.529 7.175 1.00 0.56 C ATOM 390 CD ARG A 26 7.252 8.987 7.741 1.00 0.64 C ATOM 391 NE ARG A 26 7.590 10.013 8.766 1.00 0.85 N ATOM 392 CZ ARG A 26 7.335 9.788 10.026 1.00 1.41 C ATOM 393 NH1 ARG A 26 8.191 9.122 10.757 1.00 2.37 N ATOM 394 NH2 ARG A 26 6.228 10.231 10.558 1.00 1.67 N ATOM 0 H ARG A 26 9.569 9.048 4.042 1.00 0.34 H new ATOM 0 HA ARG A 26 10.393 6.947 6.054 1.00 0.33 H new ATOM 0 HB2 ARG A 26 7.845 8.396 5.156 1.00 0.36 H new ATOM 0 HB3 ARG A 26 7.740 6.895 6.055 1.00 0.36 H new ATOM 0 HG2 ARG A 26 9.114 7.893 7.897 1.00 0.56 H new ATOM 0 HG3 ARG A 26 9.244 9.391 6.996 1.00 0.56 H new ATOM 0 HD2 ARG A 26 6.618 9.405 6.959 1.00 0.64 H new ATOM 0 HD3 ARG A 26 6.706 8.153 8.183 1.00 0.64 H new ATOM 0 HE ARG A 26 8.021 10.893 8.483 1.00 0.85 H new ATOM 0 HH11 ARG A 26 9.057 8.779 10.342 1.00 2.37 H new ATOM 0 HH12 ARG A 26 7.992 8.946 11.742 1.00 2.37 H new ATOM 0 HH21 ARG A 26 5.562 10.753 9.989 1.00 1.67 H new ATOM 0 HH22 ARG A 26 6.029 10.055 11.543 1.00 1.67 H new ATOM 408 N PRO A 27 9.592 4.964 4.750 1.00 0.32 N ATOM 409 CA PRO A 27 9.398 3.789 3.863 1.00 0.32 C ATOM 410 C PRO A 27 7.921 3.645 3.478 1.00 0.30 C ATOM 411 O PRO A 27 7.043 3.661 4.321 1.00 0.39 O ATOM 412 CB PRO A 27 9.868 2.611 4.711 1.00 0.36 C ATOM 413 CG PRO A 27 9.709 3.063 6.126 1.00 0.39 C ATOM 414 CD PRO A 27 9.878 4.563 6.136 1.00 0.37 C ATOM 0 HA PRO A 27 9.945 3.867 2.923 1.00 0.32 H new ATOM 0 HB2 PRO A 27 9.273 1.720 4.512 1.00 0.36 H new ATOM 0 HB3 PRO A 27 10.905 2.357 4.492 1.00 0.36 H new ATOM 0 HG2 PRO A 27 8.728 2.784 6.511 1.00 0.39 H new ATOM 0 HG3 PRO A 27 10.451 2.588 6.768 1.00 0.39 H new ATOM 0 HD2 PRO A 27 9.192 5.037 6.838 1.00 0.37 H new ATOM 0 HD3 PRO A 27 10.887 4.849 6.434 1.00 0.37 H new ATOM 422 N VAL A 28 7.648 3.513 2.206 1.00 0.28 N ATOM 423 CA VAL A 28 6.233 3.375 1.734 1.00 0.27 C ATOM 424 C VAL A 28 6.105 2.102 0.894 1.00 0.28 C ATOM 425 O VAL A 28 6.917 1.844 0.029 1.00 0.33 O ATOM 426 CB VAL A 28 5.967 4.626 0.880 1.00 0.27 C ATOM 427 CG1 VAL A 28 4.475 4.940 0.887 1.00 0.30 C ATOM 428 CG2 VAL A 28 6.715 5.834 1.455 1.00 0.30 C ATOM 0 H VAL A 28 8.349 3.494 1.466 1.00 0.28 H new ATOM 0 HA VAL A 28 5.518 3.298 2.554 1.00 0.27 H new ATOM 0 HB VAL A 28 6.312 4.430 -0.135 1.00 0.27 H new ATOM 0 HG11 VAL A 28 4.287 5.827 0.282 1.00 0.30 H new ATOM 0 HG12 VAL A 28 3.923 4.095 0.474 1.00 0.30 H new ATOM 0 HG13 VAL A 28 4.146 5.123 1.910 1.00 0.30 H new ATOM 0 HG21 VAL A 28 6.517 6.711 0.840 1.00 0.30 H new ATOM 0 HG22 VAL A 28 6.375 6.021 2.474 1.00 0.30 H new ATOM 0 HG23 VAL A 28 7.786 5.630 1.461 1.00 0.30 H new ATOM 438 N ASP A 29 5.102 1.294 1.152 1.00 0.32 N ATOM 439 CA ASP A 29 4.950 0.026 0.368 1.00 0.32 C ATOM 440 C ASP A 29 4.519 0.330 -1.072 1.00 0.30 C ATOM 441 O ASP A 29 3.342 0.317 -1.406 1.00 0.31 O ATOM 442 CB ASP A 29 3.863 -0.770 1.105 1.00 0.36 C ATOM 443 CG ASP A 29 4.467 -2.052 1.683 1.00 0.80 C ATOM 444 OD1 ASP A 29 4.509 -3.037 0.966 1.00 1.15 O ATOM 445 OD2 ASP A 29 4.875 -2.026 2.833 1.00 1.26 O ATOM 0 H ASP A 29 4.389 1.455 1.864 1.00 0.32 H new ATOM 0 HA ASP A 29 5.886 -0.529 0.300 1.00 0.32 H new ATOM 0 HB2 ASP A 29 3.435 -0.165 1.904 1.00 0.36 H new ATOM 0 HB3 ASP A 29 3.051 -1.015 0.421 1.00 0.36 H new ATOM 450 N ILE A 30 5.467 0.569 -1.943 1.00 0.29 N ATOM 451 CA ILE A 30 5.112 0.850 -3.362 1.00 0.28 C ATOM 452 C ILE A 30 4.515 -0.407 -3.996 1.00 0.29 C ATOM 453 O ILE A 30 3.723 -0.320 -4.908 1.00 0.31 O ATOM 454 CB ILE A 30 6.416 1.253 -4.058 1.00 0.29 C ATOM 455 CG1 ILE A 30 6.831 2.653 -3.587 1.00 0.29 C ATOM 456 CG2 ILE A 30 6.203 1.267 -5.577 1.00 0.35 C ATOM 457 CD1 ILE A 30 5.827 3.696 -4.090 1.00 0.30 C ATOM 0 H ILE A 30 6.465 0.581 -1.732 1.00 0.29 H new ATOM 0 HA ILE A 30 4.370 1.644 -3.451 1.00 0.28 H new ATOM 0 HB ILE A 30 7.199 0.537 -3.809 1.00 0.29 H new ATOM 0 HG12 ILE A 30 6.880 2.679 -2.498 1.00 0.29 H new ATOM 0 HG13 ILE A 30 7.829 2.889 -3.957 1.00 0.29 H new ATOM 0 HG21 ILE A 30 7.131 1.554 -6.072 1.00 0.35 H new ATOM 0 HG22 ILE A 30 5.905 0.273 -5.912 1.00 0.35 H new ATOM 0 HG23 ILE A 30 5.421 1.984 -5.828 1.00 0.35 H new ATOM 0 HD11 ILE A 30 6.130 4.686 -3.750 1.00 0.30 H new ATOM 0 HD12 ILE A 30 5.799 3.679 -5.180 1.00 0.30 H new ATOM 0 HD13 ILE A 30 4.836 3.466 -3.698 1.00 0.30 H new ATOM 469 N LEU A 31 4.874 -1.573 -3.501 1.00 0.30 N ATOM 470 CA LEU A 31 4.304 -2.838 -4.058 1.00 0.32 C ATOM 471 C LEU A 31 2.778 -2.723 -4.093 1.00 0.34 C ATOM 472 O LEU A 31 2.142 -3.086 -5.066 1.00 0.37 O ATOM 473 CB LEU A 31 4.773 -3.943 -3.091 1.00 0.36 C ATOM 474 CG LEU A 31 3.991 -5.251 -3.310 1.00 0.39 C ATOM 475 CD1 LEU A 31 2.635 -5.168 -2.600 1.00 0.42 C ATOM 476 CD2 LEU A 31 3.775 -5.500 -4.809 1.00 0.41 C ATOM 0 H LEU A 31 5.537 -1.698 -2.736 1.00 0.30 H new ATOM 0 HA LEU A 31 4.629 -3.051 -5.076 1.00 0.32 H new ATOM 0 HB2 LEU A 31 5.838 -4.126 -3.234 1.00 0.36 H new ATOM 0 HB3 LEU A 31 4.643 -3.607 -2.062 1.00 0.36 H new ATOM 0 HG LEU A 31 4.568 -6.078 -2.896 1.00 0.39 H new ATOM 0 HD11 LEU A 31 2.085 -6.096 -2.757 1.00 0.42 H new ATOM 0 HD12 LEU A 31 2.792 -5.016 -1.532 1.00 0.42 H new ATOM 0 HD13 LEU A 31 2.063 -4.333 -3.005 1.00 0.42 H new ATOM 0 HD21 LEU A 31 3.221 -6.428 -4.947 1.00 0.41 H new ATOM 0 HD22 LEU A 31 3.210 -4.672 -5.238 1.00 0.41 H new ATOM 0 HD23 LEU A 31 4.741 -5.576 -5.308 1.00 0.41 H new ATOM 488 N ALA A 32 2.195 -2.184 -3.051 1.00 0.35 N ATOM 489 CA ALA A 32 0.716 -1.996 -3.024 1.00 0.39 C ATOM 490 C ALA A 32 0.300 -1.150 -4.233 1.00 0.38 C ATOM 491 O ALA A 32 -0.720 -1.386 -4.855 1.00 0.44 O ATOM 492 CB ALA A 32 0.448 -1.236 -1.724 1.00 0.41 C ATOM 0 H ALA A 32 2.685 -1.865 -2.215 1.00 0.35 H new ATOM 0 HA ALA A 32 0.162 -2.934 -3.068 1.00 0.39 H new ATOM 0 HB1 ALA A 32 -0.622 -1.054 -1.623 1.00 0.41 H new ATOM 0 HB2 ALA A 32 0.797 -1.828 -0.878 1.00 0.41 H new ATOM 0 HB3 ALA A 32 0.978 -0.284 -1.744 1.00 0.41 H new ATOM 498 N VAL A 33 1.102 -0.167 -4.563 1.00 0.34 N ATOM 499 CA VAL A 33 0.796 0.721 -5.731 1.00 0.34 C ATOM 500 C VAL A 33 1.096 0.026 -7.073 1.00 0.32 C ATOM 501 O VAL A 33 0.534 0.379 -8.093 1.00 0.37 O ATOM 502 CB VAL A 33 1.710 1.937 -5.533 1.00 0.32 C ATOM 503 CG1 VAL A 33 1.915 2.676 -6.858 1.00 0.32 C ATOM 504 CG2 VAL A 33 1.062 2.889 -4.530 1.00 0.36 C ATOM 0 H VAL A 33 1.965 0.061 -4.069 1.00 0.34 H new ATOM 0 HA VAL A 33 -0.260 0.987 -5.771 1.00 0.34 H new ATOM 0 HB VAL A 33 2.677 1.595 -5.164 1.00 0.32 H new ATOM 0 HG11 VAL A 33 2.566 3.536 -6.698 1.00 0.32 H new ATOM 0 HG12 VAL A 33 2.374 2.003 -7.583 1.00 0.32 H new ATOM 0 HG13 VAL A 33 0.952 3.016 -7.238 1.00 0.32 H new ATOM 0 HG21 VAL A 33 1.706 3.756 -4.384 1.00 0.36 H new ATOM 0 HG22 VAL A 33 0.094 3.215 -4.911 1.00 0.36 H new ATOM 0 HG23 VAL A 33 0.923 2.376 -3.579 1.00 0.36 H new ATOM 514 N THR A 34 1.977 -0.940 -7.090 1.00 0.32 N ATOM 515 CA THR A 34 2.308 -1.629 -8.383 1.00 0.33 C ATOM 516 C THR A 34 1.235 -2.673 -8.734 1.00 0.37 C ATOM 517 O THR A 34 1.038 -3.000 -9.890 1.00 0.43 O ATOM 518 CB THR A 34 3.686 -2.293 -8.177 1.00 0.33 C ATOM 519 OG1 THR A 34 3.524 -3.582 -7.594 1.00 0.37 O ATOM 520 CG2 THR A 34 4.564 -1.429 -7.267 1.00 0.31 C ATOM 0 H THR A 34 2.481 -1.283 -6.273 1.00 0.32 H new ATOM 0 HA THR A 34 2.335 -0.924 -9.214 1.00 0.33 H new ATOM 0 HB THR A 34 4.170 -2.393 -9.149 1.00 0.33 H new ATOM 0 HG1 THR A 34 2.929 -3.518 -6.818 1.00 0.37 H new ATOM 0 HG21 THR A 34 5.532 -1.911 -7.131 1.00 0.31 H new ATOM 0 HG22 THR A 34 4.707 -0.449 -7.723 1.00 0.31 H new ATOM 0 HG23 THR A 34 4.079 -1.311 -6.298 1.00 0.31 H new ATOM 528 N GLY A 35 0.538 -3.195 -7.751 1.00 0.40 N ATOM 529 CA GLY A 35 -0.521 -4.212 -8.031 1.00 0.46 C ATOM 530 C GLY A 35 -1.772 -3.522 -8.591 1.00 0.45 C ATOM 531 O GLY A 35 -2.385 -4.004 -9.525 1.00 0.55 O ATOM 0 H GLY A 35 0.659 -2.959 -6.766 1.00 0.40 H new ATOM 0 HA2 GLY A 35 -0.151 -4.948 -8.744 1.00 0.46 H new ATOM 0 HA3 GLY A 35 -0.771 -4.751 -7.117 1.00 0.46 H new ATOM 535 N ASN A 36 -2.154 -2.400 -8.027 1.00 0.42 N ATOM 536 CA ASN A 36 -3.368 -1.679 -8.523 1.00 0.43 C ATOM 537 C ASN A 36 -3.017 -0.806 -9.739 1.00 0.42 C ATOM 538 O ASN A 36 -3.631 -0.914 -10.783 1.00 0.50 O ATOM 539 CB ASN A 36 -3.830 -0.813 -7.346 1.00 0.46 C ATOM 540 CG ASN A 36 -5.343 -0.597 -7.427 1.00 0.52 C ATOM 541 OD1 ASN A 36 -6.112 -1.453 -7.032 1.00 0.66 O ATOM 542 ND2 ASN A 36 -5.808 0.517 -7.923 1.00 0.83 N ATOM 0 H ASN A 36 -1.677 -1.953 -7.244 1.00 0.42 H new ATOM 0 HA ASN A 36 -4.148 -2.367 -8.849 1.00 0.43 H new ATOM 0 HB2 ASN A 36 -3.572 -1.296 -6.403 1.00 0.46 H new ATOM 0 HB3 ASN A 36 -3.314 0.147 -7.364 1.00 0.46 H new ATOM 0 HD21 ASN A 36 -6.815 0.669 -7.979 1.00 0.83 H new ATOM 0 HD22 ASN A 36 -5.164 1.236 -8.255 1.00 0.83 H new ATOM 549 N MET A 37 -2.032 0.054 -9.610 1.00 0.40 N ATOM 550 CA MET A 37 -1.640 0.932 -10.758 1.00 0.40 C ATOM 551 C MET A 37 -0.526 0.267 -11.579 1.00 0.38 C ATOM 552 O MET A 37 0.349 -0.384 -11.036 1.00 0.39 O ATOM 553 CB MET A 37 -1.139 2.229 -10.117 1.00 0.42 C ATOM 554 CG MET A 37 -0.822 3.261 -11.202 1.00 0.42 C ATOM 555 SD MET A 37 -2.107 4.535 -11.220 1.00 0.71 S ATOM 556 CE MET A 37 -3.035 3.905 -12.641 1.00 1.06 C ATOM 0 H MET A 37 -1.484 0.185 -8.760 1.00 0.40 H new ATOM 0 HA MET A 37 -2.470 1.113 -11.441 1.00 0.40 H new ATOM 0 HB2 MET A 37 -1.894 2.624 -9.438 1.00 0.42 H new ATOM 0 HB3 MET A 37 -0.248 2.030 -9.522 1.00 0.42 H new ATOM 0 HG2 MET A 37 0.151 3.714 -11.014 1.00 0.42 H new ATOM 0 HG3 MET A 37 -0.764 2.774 -12.176 1.00 0.42 H new ATOM 0 HE1 MET A 37 -3.791 4.633 -12.934 1.00 1.06 H new ATOM 0 HE2 MET A 37 -2.353 3.735 -13.474 1.00 1.06 H new ATOM 0 HE3 MET A 37 -3.520 2.967 -12.372 1.00 1.06 H new ATOM 566 N ASP A 38 -0.553 0.428 -12.880 1.00 0.39 N ATOM 567 CA ASP A 38 0.503 -0.192 -13.741 1.00 0.40 C ATOM 568 C ASP A 38 0.852 0.726 -14.922 1.00 0.40 C ATOM 569 O ASP A 38 2.002 1.065 -15.124 1.00 0.42 O ATOM 570 CB ASP A 38 -0.107 -1.501 -14.240 1.00 0.46 C ATOM 571 CG ASP A 38 -0.045 -2.556 -13.131 1.00 0.54 C ATOM 572 OD1 ASP A 38 1.008 -3.147 -12.960 1.00 0.63 O ATOM 573 OD2 ASP A 38 -1.053 -2.754 -12.472 1.00 0.64 O ATOM 0 H ASP A 38 -1.261 0.962 -13.383 1.00 0.39 H new ATOM 0 HA ASP A 38 1.430 -0.356 -13.191 1.00 0.40 H new ATOM 0 HB2 ASP A 38 -1.141 -1.339 -14.543 1.00 0.46 H new ATOM 0 HB3 ASP A 38 0.432 -1.852 -15.120 1.00 0.46 H new ATOM 578 N GLU A 39 -0.130 1.131 -15.700 1.00 0.43 N ATOM 579 CA GLU A 39 0.152 2.033 -16.868 1.00 0.45 C ATOM 580 C GLU A 39 0.863 3.297 -16.380 1.00 0.42 C ATOM 581 O GLU A 39 2.004 3.549 -16.721 1.00 0.42 O ATOM 582 CB GLU A 39 -1.217 2.385 -17.458 1.00 0.51 C ATOM 583 CG GLU A 39 -1.651 1.297 -18.444 1.00 0.65 C ATOM 584 CD GLU A 39 -2.457 0.223 -17.709 1.00 0.82 C ATOM 585 OE1 GLU A 39 -3.652 0.412 -17.548 1.00 0.95 O ATOM 586 OE2 GLU A 39 -1.865 -0.770 -17.317 1.00 1.19 O ATOM 0 H GLU A 39 -1.110 0.877 -15.577 1.00 0.43 H new ATOM 0 HA GLU A 39 0.795 1.558 -17.609 1.00 0.45 H new ATOM 0 HB2 GLU A 39 -1.954 2.481 -16.660 1.00 0.51 H new ATOM 0 HB3 GLU A 39 -1.168 3.349 -17.964 1.00 0.51 H new ATOM 0 HG2 GLU A 39 -2.252 1.734 -19.241 1.00 0.65 H new ATOM 0 HG3 GLU A 39 -0.776 0.849 -18.914 1.00 0.65 H new ATOM 593 N GLU A 40 0.202 4.077 -15.559 1.00 0.42 N ATOM 594 CA GLU A 40 0.843 5.311 -15.016 1.00 0.41 C ATOM 595 C GLU A 40 1.892 4.917 -13.966 1.00 0.38 C ATOM 596 O GLU A 40 2.820 5.656 -13.696 1.00 0.40 O ATOM 597 CB GLU A 40 -0.296 6.109 -14.373 1.00 0.44 C ATOM 598 CG GLU A 40 0.088 7.590 -14.297 1.00 0.62 C ATOM 599 CD GLU A 40 0.574 7.928 -12.885 1.00 0.94 C ATOM 600 OE1 GLU A 40 -0.248 7.944 -11.983 1.00 1.12 O ATOM 601 OE2 GLU A 40 1.760 8.167 -12.730 1.00 1.50 O ATOM 0 H GLU A 40 -0.753 3.911 -15.243 1.00 0.42 H new ATOM 0 HA GLU A 40 1.351 5.895 -15.784 1.00 0.41 H new ATOM 0 HB2 GLU A 40 -1.210 5.990 -14.955 1.00 0.44 H new ATOM 0 HB3 GLU A 40 -0.502 5.725 -13.374 1.00 0.44 H new ATOM 0 HG2 GLU A 40 0.871 7.810 -15.023 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -0.770 8.211 -14.555 1.00 0.62 H new ATOM 608 N HIS A 41 1.744 3.750 -13.376 1.00 0.36 N ATOM 609 CA HIS A 41 2.720 3.282 -12.346 1.00 0.35 C ATOM 610 C HIS A 41 4.143 3.237 -12.922 1.00 0.33 C ATOM 611 O HIS A 41 5.099 3.506 -12.226 1.00 0.33 O ATOM 612 CB HIS A 41 2.247 1.877 -11.959 1.00 0.36 C ATOM 613 CG HIS A 41 3.213 1.279 -10.977 1.00 0.34 C ATOM 614 ND1 HIS A 41 3.477 1.867 -9.752 1.00 0.37 N ATOM 615 CD2 HIS A 41 3.997 0.155 -11.032 1.00 0.37 C ATOM 616 CE1 HIS A 41 4.386 1.103 -9.125 1.00 0.39 C ATOM 617 NE2 HIS A 41 4.738 0.046 -9.861 1.00 0.40 N ATOM 0 H HIS A 41 0.982 3.100 -13.569 1.00 0.36 H new ATOM 0 HA HIS A 41 2.757 3.952 -11.487 1.00 0.35 H new ATOM 0 HB2 HIS A 41 1.250 1.925 -11.522 1.00 0.36 H new ATOM 0 HB3 HIS A 41 2.177 1.248 -12.846 1.00 0.36 H new ATOM 0 HD2 HIS A 41 4.033 -0.539 -11.859 1.00 0.37 H new ATOM 0 HE1 HIS A 41 4.784 1.317 -8.144 1.00 0.39 H new ATOM 0 HE2 HIS A 41 5.407 -0.684 -9.617 1.00 0.40 H new ATOM 625 N ARG A 42 4.293 2.905 -14.186 1.00 0.36 N ATOM 626 CA ARG A 42 5.663 2.858 -14.792 1.00 0.37 C ATOM 627 C ARG A 42 6.353 4.218 -14.625 1.00 0.34 C ATOM 628 O ARG A 42 7.505 4.297 -14.242 1.00 0.37 O ATOM 629 CB ARG A 42 5.445 2.545 -16.277 1.00 0.41 C ATOM 630 CG ARG A 42 5.965 1.138 -16.588 1.00 0.50 C ATOM 631 CD ARG A 42 4.915 0.098 -16.179 1.00 0.65 C ATOM 632 NE ARG A 42 3.875 0.152 -17.248 1.00 0.86 N ATOM 633 CZ ARG A 42 3.427 -0.952 -17.780 1.00 0.78 C ATOM 634 NH1 ARG A 42 4.081 -1.515 -18.763 1.00 1.34 N ATOM 635 NH2 ARG A 42 2.322 -1.491 -17.332 1.00 0.97 N ATOM 0 H ARG A 42 3.530 2.666 -14.819 1.00 0.36 H new ATOM 0 HA ARG A 42 6.298 2.111 -14.315 1.00 0.37 H new ATOM 0 HB2 ARG A 42 4.385 2.614 -16.522 1.00 0.41 H new ATOM 0 HB3 ARG A 42 5.963 3.280 -16.894 1.00 0.41 H new ATOM 0 HG2 ARG A 42 6.185 1.048 -17.652 1.00 0.50 H new ATOM 0 HG3 ARG A 42 6.897 0.958 -16.053 1.00 0.50 H new ATOM 0 HD2 ARG A 42 5.354 -0.897 -16.106 1.00 0.65 H new ATOM 0 HD3 ARG A 42 4.489 0.331 -15.203 1.00 0.65 H new ATOM 0 HE ARG A 42 3.514 1.053 -17.563 1.00 0.86 H new ATOM 0 HH11 ARG A 42 4.940 -1.091 -19.113 1.00 1.34 H new ATOM 0 HH12 ARG A 42 3.732 -2.378 -19.180 1.00 1.34 H new ATOM 0 HH21 ARG A 42 1.812 -1.048 -16.568 1.00 0.97 H new ATOM 0 HH22 ARG A 42 1.971 -2.354 -17.747 1.00 0.97 H new ATOM 649 N THR A 43 5.643 5.286 -14.895 1.00 0.34 N ATOM 650 CA THR A 43 6.231 6.653 -14.741 1.00 0.33 C ATOM 651 C THR A 43 6.314 7.010 -13.248 1.00 0.29 C ATOM 652 O THR A 43 7.333 7.485 -12.766 1.00 0.29 O ATOM 653 CB THR A 43 5.254 7.581 -15.481 1.00 0.39 C ATOM 654 OG1 THR A 43 5.466 7.467 -16.883 1.00 0.57 O ATOM 655 CG2 THR A 43 5.470 9.033 -15.048 1.00 0.37 C ATOM 0 H THR A 43 4.675 5.269 -15.217 1.00 0.34 H new ATOM 0 HA THR A 43 7.241 6.734 -15.142 1.00 0.33 H new ATOM 0 HB THR A 43 4.233 7.289 -15.237 1.00 0.39 H new ATOM 0 HG1 THR A 43 4.843 8.057 -17.357 1.00 0.57 H new ATOM 0 HG21 THR A 43 4.772 9.679 -15.580 1.00 0.37 H new ATOM 0 HG22 THR A 43 5.301 9.122 -13.975 1.00 0.37 H new ATOM 0 HG23 THR A 43 6.492 9.334 -15.280 1.00 0.37 H new ATOM 663 N TRP A 44 5.249 6.774 -12.516 1.00 0.29 N ATOM 664 CA TRP A 44 5.246 7.085 -11.055 1.00 0.28 C ATOM 665 C TRP A 44 6.368 6.314 -10.346 1.00 0.25 C ATOM 666 O TRP A 44 7.153 6.894 -9.624 1.00 0.28 O ATOM 667 CB TRP A 44 3.861 6.645 -10.552 1.00 0.33 C ATOM 668 CG TRP A 44 3.902 6.407 -9.071 1.00 0.32 C ATOM 669 CD1 TRP A 44 4.178 5.218 -8.496 1.00 0.34 C ATOM 670 CD2 TRP A 44 3.671 7.347 -7.981 1.00 0.32 C ATOM 671 NE1 TRP A 44 4.132 5.362 -7.121 1.00 0.35 N ATOM 672 CE2 TRP A 44 3.822 6.656 -6.754 1.00 0.34 C ATOM 673 CE3 TRP A 44 3.348 8.716 -7.932 1.00 0.34 C ATOM 674 CZ2 TRP A 44 3.659 7.298 -5.526 1.00 0.37 C ATOM 675 CZ3 TRP A 44 3.183 9.366 -6.696 1.00 0.38 C ATOM 676 CH2 TRP A 44 3.339 8.657 -5.497 1.00 0.39 C ATOM 0 H TRP A 44 4.379 6.377 -12.873 1.00 0.29 H new ATOM 0 HA TRP A 44 5.424 8.142 -10.855 1.00 0.28 H new ATOM 0 HB2 TRP A 44 3.121 7.411 -10.785 1.00 0.33 H new ATOM 0 HB3 TRP A 44 3.551 5.735 -11.066 1.00 0.33 H new ATOM 0 HD1 TRP A 44 4.399 4.302 -9.024 1.00 0.34 H new ATOM 0 HE1 TRP A 44 4.306 4.605 -6.460 1.00 0.35 H new ATOM 0 HE3 TRP A 44 3.226 9.271 -8.850 1.00 0.34 H new ATOM 0 HZ2 TRP A 44 3.779 6.748 -4.604 1.00 0.37 H new ATOM 0 HZ3 TRP A 44 2.935 10.417 -6.670 1.00 0.38 H new ATOM 0 HH2 TRP A 44 3.212 9.162 -4.551 1.00 0.39 H new ATOM 687 N PHE A 45 6.450 5.016 -10.541 1.00 0.26 N ATOM 688 CA PHE A 45 7.525 4.237 -9.859 1.00 0.25 C ATOM 689 C PHE A 45 8.908 4.626 -10.381 1.00 0.23 C ATOM 690 O PHE A 45 9.880 4.413 -9.712 1.00 0.27 O ATOM 691 CB PHE A 45 7.251 2.751 -10.128 1.00 0.30 C ATOM 692 CG PHE A 45 7.812 1.907 -8.987 1.00 0.29 C ATOM 693 CD1 PHE A 45 8.531 2.506 -7.936 1.00 0.28 C ATOM 694 CD2 PHE A 45 7.602 0.522 -8.976 1.00 0.31 C ATOM 695 CE1 PHE A 45 9.032 1.725 -6.890 1.00 0.29 C ATOM 696 CE2 PHE A 45 8.100 -0.257 -7.923 1.00 0.32 C ATOM 697 CZ PHE A 45 8.815 0.345 -6.881 1.00 0.31 C ATOM 0 H PHE A 45 5.825 4.472 -11.136 1.00 0.26 H new ATOM 0 HA PHE A 45 7.518 4.448 -8.790 1.00 0.25 H new ATOM 0 HB2 PHE A 45 6.179 2.581 -10.225 1.00 0.30 H new ATOM 0 HB3 PHE A 45 7.708 2.453 -11.072 1.00 0.30 H new ATOM 0 HD1 PHE A 45 8.696 3.573 -7.937 1.00 0.28 H new ATOM 0 HD2 PHE A 45 7.055 0.054 -9.781 1.00 0.31 H new ATOM 0 HE1 PHE A 45 9.587 2.189 -6.088 1.00 0.29 H new ATOM 0 HE2 PHE A 45 7.932 -1.324 -7.915 1.00 0.32 H new ATOM 0 HZ PHE A 45 9.199 -0.257 -6.071 1.00 0.31 H new ATOM 707 N CYS A 46 9.023 5.203 -11.552 1.00 0.24 N ATOM 708 CA CYS A 46 10.384 5.599 -12.033 1.00 0.26 C ATOM 709 C CYS A 46 11.019 6.530 -10.987 1.00 0.24 C ATOM 710 O CYS A 46 12.069 6.241 -10.422 1.00 0.27 O ATOM 711 CB CYS A 46 10.158 6.334 -13.359 1.00 0.29 C ATOM 712 SG CYS A 46 11.678 6.289 -14.340 1.00 0.65 S ATOM 0 H CYS A 46 8.251 5.414 -12.185 1.00 0.24 H new ATOM 0 HA CYS A 46 11.051 4.749 -12.175 1.00 0.26 H new ATOM 0 HB2 CYS A 46 9.342 5.868 -13.911 1.00 0.29 H new ATOM 0 HB3 CYS A 46 9.865 7.367 -13.169 1.00 0.29 H new ATOM 0 HG CYS A 46 11.486 6.910 -15.466 1.00 0.65 H new ATOM 718 N ALA A 47 10.360 7.628 -10.699 1.00 0.23 N ATOM 719 CA ALA A 47 10.884 8.578 -9.668 1.00 0.25 C ATOM 720 C ALA A 47 10.691 7.997 -8.255 1.00 0.23 C ATOM 721 O ALA A 47 11.404 8.350 -7.333 1.00 0.26 O ATOM 722 CB ALA A 47 10.059 9.856 -9.840 1.00 0.30 C ATOM 0 H ALA A 47 9.481 7.907 -11.135 1.00 0.23 H new ATOM 0 HA ALA A 47 11.951 8.764 -9.790 1.00 0.25 H new ATOM 0 HB1 ALA A 47 10.387 10.601 -9.115 1.00 0.30 H new ATOM 0 HB2 ALA A 47 10.197 10.245 -10.849 1.00 0.30 H new ATOM 0 HB3 ALA A 47 9.004 9.633 -9.678 1.00 0.30 H new ATOM 728 N ARG A 48 9.744 7.100 -8.081 1.00 0.22 N ATOM 729 CA ARG A 48 9.516 6.492 -6.732 1.00 0.23 C ATOM 730 C ARG A 48 10.374 5.225 -6.558 1.00 0.23 C ATOM 731 O ARG A 48 10.467 4.678 -5.477 1.00 0.29 O ATOM 732 CB ARG A 48 8.024 6.146 -6.689 1.00 0.25 C ATOM 733 CG ARG A 48 7.244 7.318 -6.080 1.00 0.31 C ATOM 734 CD ARG A 48 6.960 8.368 -7.158 1.00 0.38 C ATOM 735 NE ARG A 48 6.543 9.593 -6.414 1.00 0.46 N ATOM 736 CZ ARG A 48 6.671 10.771 -6.969 1.00 0.63 C ATOM 737 NH1 ARG A 48 6.217 10.979 -8.180 1.00 1.13 N ATOM 738 NH2 ARG A 48 7.251 11.743 -6.311 1.00 1.37 N ATOM 0 H ARG A 48 9.121 6.765 -8.816 1.00 0.22 H new ATOM 0 HA ARG A 48 9.796 7.172 -5.927 1.00 0.23 H new ATOM 0 HB2 ARG A 48 7.659 5.936 -7.695 1.00 0.25 H new ATOM 0 HB3 ARG A 48 7.866 5.244 -6.098 1.00 0.25 H new ATOM 0 HG2 ARG A 48 6.307 6.960 -5.652 1.00 0.31 H new ATOM 0 HG3 ARG A 48 7.816 7.764 -5.267 1.00 0.31 H new ATOM 0 HD2 ARG A 48 7.845 8.558 -7.765 1.00 0.38 H new ATOM 0 HD3 ARG A 48 6.175 8.033 -7.836 1.00 0.38 H new ATOM 0 HE ARG A 48 6.158 9.512 -5.473 1.00 0.46 H new ATOM 0 HH11 ARG A 48 5.763 10.222 -8.691 1.00 1.13 H new ATOM 0 HH12 ARG A 48 6.317 11.898 -8.611 1.00 1.13 H new ATOM 0 HH21 ARG A 48 7.602 11.581 -5.367 1.00 1.37 H new ATOM 0 HH22 ARG A 48 7.352 12.662 -6.742 1.00 1.37 H new ATOM 752 N TYR A 49 11.015 4.773 -7.611 1.00 0.24 N ATOM 753 CA TYR A 49 11.885 3.563 -7.520 1.00 0.28 C ATOM 754 C TYR A 49 13.140 3.954 -6.769 1.00 0.29 C ATOM 755 O TYR A 49 13.483 3.388 -5.750 1.00 0.35 O ATOM 756 CB TYR A 49 12.261 3.221 -8.965 1.00 0.30 C ATOM 757 CG TYR A 49 11.588 1.941 -9.411 1.00 0.34 C ATOM 758 CD1 TYR A 49 11.705 0.780 -8.638 1.00 0.38 C ATOM 759 CD2 TYR A 49 10.861 1.914 -10.608 1.00 0.38 C ATOM 760 CE1 TYR A 49 11.094 -0.406 -9.059 1.00 0.44 C ATOM 761 CE2 TYR A 49 10.248 0.729 -11.028 1.00 0.44 C ATOM 762 CZ TYR A 49 10.365 -0.431 -10.255 1.00 0.46 C ATOM 763 OH TYR A 49 9.762 -1.602 -10.670 1.00 0.54 O ATOM 0 H TYR A 49 10.970 5.197 -8.537 1.00 0.24 H new ATOM 0 HA TYR A 49 11.399 2.727 -7.017 1.00 0.28 H new ATOM 0 HB2 TYR A 49 11.969 4.039 -9.624 1.00 0.30 H new ATOM 0 HB3 TYR A 49 13.343 3.116 -9.048 1.00 0.30 H new ATOM 0 HD1 TYR A 49 12.267 0.800 -7.716 1.00 0.38 H new ATOM 0 HD2 TYR A 49 10.774 2.809 -11.207 1.00 0.38 H new ATOM 0 HE1 TYR A 49 11.184 -1.302 -8.462 1.00 0.44 H new ATOM 0 HE2 TYR A 49 9.684 0.710 -11.949 1.00 0.44 H new ATOM 0 HH TYR A 49 9.296 -1.447 -11.518 1.00 0.54 H new ATOM 773 N ALA A 50 13.810 4.948 -7.283 1.00 0.28 N ATOM 774 CA ALA A 50 15.049 5.448 -6.634 1.00 0.32 C ATOM 775 C ALA A 50 14.719 5.990 -5.249 1.00 0.30 C ATOM 776 O ALA A 50 15.422 5.740 -4.289 1.00 0.35 O ATOM 777 CB ALA A 50 15.502 6.571 -7.539 1.00 0.34 C ATOM 0 H ALA A 50 13.546 5.440 -8.137 1.00 0.28 H new ATOM 0 HA ALA A 50 15.809 4.677 -6.506 1.00 0.32 H new ATOM 0 HB1 ALA A 50 16.418 7.010 -7.144 1.00 0.34 H new ATOM 0 HB2 ALA A 50 15.690 6.179 -8.539 1.00 0.34 H new ATOM 0 HB3 ALA A 50 14.726 7.334 -7.588 1.00 0.34 H new ATOM 783 N TRP A 51 13.640 6.726 -5.141 1.00 0.27 N ATOM 784 CA TRP A 51 13.239 7.274 -3.820 1.00 0.27 C ATOM 785 C TRP A 51 13.031 6.113 -2.849 1.00 0.26 C ATOM 786 O TRP A 51 13.666 6.048 -1.821 1.00 0.32 O ATOM 787 CB TRP A 51 11.931 8.025 -4.085 1.00 0.26 C ATOM 788 CG TRP A 51 11.078 8.042 -2.847 1.00 0.24 C ATOM 789 CD1 TRP A 51 11.388 8.665 -1.685 1.00 0.28 C ATOM 790 CD2 TRP A 51 9.787 7.405 -2.636 1.00 0.23 C ATOM 791 NE1 TRP A 51 10.364 8.448 -0.776 1.00 0.26 N ATOM 792 CE2 TRP A 51 9.352 7.679 -1.320 1.00 0.23 C ATOM 793 CE3 TRP A 51 8.959 6.625 -3.456 1.00 0.28 C ATOM 794 CZ2 TRP A 51 8.132 7.193 -0.838 1.00 0.25 C ATOM 795 CZ3 TRP A 51 7.737 6.137 -2.978 1.00 0.33 C ATOM 796 CH2 TRP A 51 7.323 6.420 -1.673 1.00 0.31 C ATOM 0 H TRP A 51 13.022 6.968 -5.916 1.00 0.27 H new ATOM 0 HA TRP A 51 13.985 7.935 -3.378 1.00 0.27 H new ATOM 0 HB2 TRP A 51 12.147 9.046 -4.400 1.00 0.26 H new ATOM 0 HB3 TRP A 51 11.389 7.548 -4.902 1.00 0.26 H new ATOM 0 HD1 TRP A 51 12.285 9.237 -1.497 1.00 0.28 H new ATOM 0 HE1 TRP A 51 10.358 8.811 0.177 1.00 0.26 H new ATOM 0 HE3 TRP A 51 9.267 6.399 -4.466 1.00 0.28 H new ATOM 0 HZ2 TRP A 51 7.819 7.414 0.172 1.00 0.25 H new ATOM 0 HZ3 TRP A 51 7.110 5.538 -3.622 1.00 0.33 H new ATOM 0 HH2 TRP A 51 6.379 6.041 -1.311 1.00 0.31 H new ATOM 807 N TYR A 52 12.163 5.186 -3.184 1.00 0.25 N ATOM 808 CA TYR A 52 11.938 4.017 -2.283 1.00 0.27 C ATOM 809 C TYR A 52 13.266 3.300 -2.020 1.00 0.31 C ATOM 810 O TYR A 52 13.500 2.789 -0.945 1.00 0.35 O ATOM 811 CB TYR A 52 10.973 3.090 -3.025 1.00 0.32 C ATOM 812 CG TYR A 52 10.760 1.849 -2.190 1.00 0.34 C ATOM 813 CD1 TYR A 52 9.789 1.845 -1.184 1.00 0.35 C ATOM 814 CD2 TYR A 52 11.549 0.712 -2.408 1.00 0.47 C ATOM 815 CE1 TYR A 52 9.602 0.704 -0.397 1.00 0.40 C ATOM 816 CE2 TYR A 52 11.362 -0.429 -1.620 1.00 0.51 C ATOM 817 CZ TYR A 52 10.388 -0.433 -0.616 1.00 0.45 C ATOM 818 OH TYR A 52 10.200 -1.559 0.159 1.00 0.52 O ATOM 0 H TYR A 52 11.605 5.191 -4.038 1.00 0.25 H new ATOM 0 HA TYR A 52 11.531 4.323 -1.319 1.00 0.27 H new ATOM 0 HB2 TYR A 52 10.023 3.595 -3.201 1.00 0.32 H new ATOM 0 HB3 TYR A 52 11.379 2.824 -4.001 1.00 0.32 H new ATOM 0 HD1 TYR A 52 9.183 2.723 -1.015 1.00 0.35 H new ATOM 0 HD2 TYR A 52 12.301 0.716 -3.183 1.00 0.47 H new ATOM 0 HE1 TYR A 52 8.851 0.700 0.379 1.00 0.40 H new ATOM 0 HE2 TYR A 52 11.969 -1.306 -1.787 1.00 0.51 H new ATOM 0 HH TYR A 52 10.989 -1.704 0.722 1.00 0.52 H new ATOM 828 N CYS A 53 14.130 3.263 -3.001 1.00 0.33 N ATOM 829 CA CYS A 53 15.446 2.583 -2.830 1.00 0.40 C ATOM 830 C CYS A 53 16.276 3.268 -1.733 1.00 0.41 C ATOM 831 O CYS A 53 16.835 2.608 -0.878 1.00 0.47 O ATOM 832 CB CYS A 53 16.126 2.708 -4.197 1.00 0.44 C ATOM 833 SG CYS A 53 17.731 1.870 -4.162 1.00 0.56 S ATOM 0 H CYS A 53 13.978 3.678 -3.920 1.00 0.33 H new ATOM 0 HA CYS A 53 15.339 1.544 -2.520 1.00 0.40 H new ATOM 0 HB2 CYS A 53 15.494 2.270 -4.969 1.00 0.44 H new ATOM 0 HB3 CYS A 53 16.260 3.759 -4.452 1.00 0.44 H new ATOM 0 HG CYS A 53 18.302 1.978 -5.325 1.00 0.56 H new ATOM 839 N GLN A 54 16.371 4.578 -1.750 1.00 0.40 N ATOM 840 CA GLN A 54 17.182 5.279 -0.700 1.00 0.44 C ATOM 841 C GLN A 54 16.424 5.384 0.644 1.00 0.41 C ATOM 842 O GLN A 54 17.028 5.292 1.700 1.00 0.46 O ATOM 843 CB GLN A 54 17.501 6.667 -1.282 1.00 0.47 C ATOM 844 CG GLN A 54 16.263 7.572 -1.236 1.00 0.44 C ATOM 845 CD GLN A 54 16.263 8.394 0.059 1.00 0.48 C ATOM 846 OE1 GLN A 54 15.245 8.517 0.709 1.00 0.49 O ATOM 847 NE2 GLN A 54 17.365 8.971 0.461 1.00 0.58 N ATOM 0 H GLN A 54 15.927 5.187 -2.438 1.00 0.40 H new ATOM 0 HA GLN A 54 18.091 4.724 -0.469 1.00 0.44 H new ATOM 0 HB2 GLN A 54 18.314 7.125 -0.718 1.00 0.47 H new ATOM 0 HB3 GLN A 54 17.845 6.565 -2.311 1.00 0.47 H new ATOM 0 HG2 GLN A 54 16.256 8.238 -2.099 1.00 0.44 H new ATOM 0 HG3 GLN A 54 15.358 6.967 -1.293 1.00 0.44 H new ATOM 0 HE21 GLN A 54 18.222 8.869 -0.083 1.00 0.58 H new ATOM 0 HE22 GLN A 54 17.368 9.523 1.319 1.00 0.58 H new ATOM 856 N GLN A 55 15.120 5.574 0.628 1.00 0.35 N ATOM 857 CA GLN A 55 14.365 5.684 1.927 1.00 0.35 C ATOM 858 C GLN A 55 14.292 4.325 2.640 1.00 0.35 C ATOM 859 O GLN A 55 14.334 4.262 3.854 1.00 0.41 O ATOM 860 CB GLN A 55 12.951 6.210 1.597 1.00 0.33 C ATOM 861 CG GLN A 55 12.341 5.465 0.406 1.00 0.29 C ATOM 862 CD GLN A 55 11.106 4.676 0.848 1.00 0.30 C ATOM 863 OE1 GLN A 55 10.036 5.231 0.980 1.00 0.34 O ATOM 864 NE2 GLN A 55 11.202 3.392 1.059 1.00 0.33 N ATOM 0 H GLN A 55 14.552 5.657 -0.215 1.00 0.35 H new ATOM 0 HA GLN A 55 14.877 6.367 2.605 1.00 0.35 H new ATOM 0 HB2 GLN A 55 12.306 6.096 2.468 1.00 0.33 H new ATOM 0 HB3 GLN A 55 13.000 7.276 1.375 1.00 0.33 H new ATOM 0 HG2 GLN A 55 12.067 6.175 -0.374 1.00 0.29 H new ATOM 0 HG3 GLN A 55 13.079 4.788 -0.024 1.00 0.29 H new ATOM 0 HE21 GLN A 55 12.101 2.923 0.949 1.00 0.33 H new ATOM 0 HE22 GLN A 55 10.378 2.857 1.334 1.00 0.33 H new ATOM 873 N MET A 56 14.199 3.239 1.908 1.00 0.34 N ATOM 874 CA MET A 56 14.142 1.895 2.570 1.00 0.37 C ATOM 875 C MET A 56 15.522 1.527 3.129 1.00 0.42 C ATOM 876 O MET A 56 15.629 0.868 4.143 1.00 0.48 O ATOM 877 CB MET A 56 13.732 0.908 1.486 1.00 0.42 C ATOM 878 CG MET A 56 12.317 0.408 1.779 1.00 0.45 C ATOM 879 SD MET A 56 12.371 -1.365 2.144 1.00 0.73 S ATOM 880 CE MET A 56 12.708 -1.219 3.916 1.00 1.13 C ATOM 0 H MET A 56 14.160 3.224 0.889 1.00 0.34 H new ATOM 0 HA MET A 56 13.438 1.886 3.402 1.00 0.37 H new ATOM 0 HB2 MET A 56 13.767 1.387 0.508 1.00 0.42 H new ATOM 0 HB3 MET A 56 14.429 0.070 1.456 1.00 0.42 H new ATOM 0 HG2 MET A 56 11.895 0.952 2.624 1.00 0.45 H new ATOM 0 HG3 MET A 56 11.669 0.595 0.923 1.00 0.45 H new ATOM 0 HE1 MET A 56 13.519 -1.894 4.189 1.00 1.13 H new ATOM 0 HE2 MET A 56 12.996 -0.194 4.148 1.00 1.13 H new ATOM 0 HE3 MET A 56 11.812 -1.481 4.479 1.00 1.13 H new ATOM 890 N MET A 57 16.575 1.959 2.472 1.00 0.44 N ATOM 891 CA MET A 57 17.958 1.652 2.959 1.00 0.51 C ATOM 892 C MET A 57 18.160 2.231 4.364 1.00 0.51 C ATOM 893 O MET A 57 18.819 1.641 5.199 1.00 0.57 O ATOM 894 CB MET A 57 18.895 2.343 1.960 1.00 0.56 C ATOM 895 CG MET A 57 19.119 1.430 0.753 1.00 0.59 C ATOM 896 SD MET A 57 20.818 0.803 0.776 1.00 0.82 S ATOM 897 CE MET A 57 20.527 -0.698 -0.192 1.00 2.04 C ATOM 0 H MET A 57 16.534 2.513 1.616 1.00 0.44 H new ATOM 0 HA MET A 57 18.145 0.580 3.021 1.00 0.51 H new ATOM 0 HB2 MET A 57 18.464 3.291 1.637 1.00 0.56 H new ATOM 0 HB3 MET A 57 19.848 2.572 2.438 1.00 0.56 H new ATOM 0 HG2 MET A 57 18.413 0.600 0.776 1.00 0.59 H new ATOM 0 HG3 MET A 57 18.935 1.979 -0.171 1.00 0.59 H new ATOM 0 HE1 MET A 57 21.462 -1.247 -0.302 1.00 2.04 H new ATOM 0 HE2 MET A 57 19.796 -1.325 0.319 1.00 2.04 H new ATOM 0 HE3 MET A 57 20.147 -0.428 -1.177 1.00 2.04 H new ATOM 907 N GLN A 58 17.586 3.379 4.626 1.00 0.48 N ATOM 908 CA GLN A 58 17.729 4.005 5.979 1.00 0.54 C ATOM 909 C GLN A 58 16.558 3.606 6.896 1.00 0.52 C ATOM 910 O GLN A 58 16.580 3.865 8.084 1.00 0.59 O ATOM 911 CB GLN A 58 17.714 5.514 5.719 1.00 0.59 C ATOM 912 CG GLN A 58 19.150 6.014 5.540 1.00 1.23 C ATOM 913 CD GLN A 58 19.141 7.337 4.769 1.00 1.94 C ATOM 914 OE1 GLN A 58 19.503 7.379 3.611 1.00 2.42 O ATOM 915 NE2 GLN A 58 18.743 8.427 5.368 1.00 2.54 N ATOM 0 H GLN A 58 17.024 3.911 3.962 1.00 0.48 H new ATOM 0 HA GLN A 58 18.640 3.681 6.482 1.00 0.54 H new ATOM 0 HB2 GLN A 58 17.127 5.735 4.828 1.00 0.59 H new ATOM 0 HB3 GLN A 58 17.238 6.033 6.551 1.00 0.59 H new ATOM 0 HG2 GLN A 58 19.622 6.152 6.513 1.00 1.23 H new ATOM 0 HG3 GLN A 58 19.740 5.272 5.002 1.00 1.23 H new ATOM 0 HE21 GLN A 58 18.439 8.392 6.341 1.00 2.54 H new ATOM 0 HE22 GLN A 58 18.736 9.313 4.863 1.00 2.54 H new ATOM 924 N ALA A 59 15.538 2.980 6.354 1.00 0.47 N ATOM 925 CA ALA A 59 14.370 2.563 7.187 1.00 0.48 C ATOM 926 C ALA A 59 14.524 1.099 7.619 1.00 0.51 C ATOM 927 O ALA A 59 14.181 0.731 8.727 1.00 0.63 O ATOM 928 CB ALA A 59 13.161 2.726 6.263 1.00 0.44 C ATOM 0 H ALA A 59 15.467 2.740 5.365 1.00 0.47 H new ATOM 0 HA ALA A 59 14.274 3.152 8.099 1.00 0.48 H new ATOM 0 HB1 ALA A 59 12.254 2.440 6.796 1.00 0.44 H new ATOM 0 HB2 ALA A 59 13.083 3.766 5.946 1.00 0.44 H new ATOM 0 HB3 ALA A 59 13.283 2.088 5.388 1.00 0.44 H new ATOM 934 N ARG A 60 15.036 0.267 6.742 1.00 0.54 N ATOM 935 CA ARG A 60 15.223 -1.181 7.070 1.00 0.63 C ATOM 936 C ARG A 60 16.171 -1.350 8.265 1.00 0.72 C ATOM 937 O ARG A 60 17.374 -1.214 8.139 1.00 0.91 O ATOM 938 CB ARG A 60 15.839 -1.787 5.804 1.00 0.80 C ATOM 939 CG ARG A 60 15.993 -3.304 5.971 1.00 0.95 C ATOM 940 CD ARG A 60 14.816 -4.021 5.299 1.00 1.03 C ATOM 941 NE ARG A 60 13.661 -3.821 6.219 1.00 1.10 N ATOM 942 CZ ARG A 60 13.362 -4.731 7.104 1.00 1.33 C ATOM 943 NH1 ARG A 60 12.570 -5.720 6.782 1.00 1.49 N ATOM 944 NH2 ARG A 60 13.855 -4.654 8.313 1.00 1.60 N ATOM 0 H ARG A 60 15.335 0.534 5.804 1.00 0.54 H new ATOM 0 HA ARG A 60 14.287 -1.665 7.349 1.00 0.63 H new ATOM 0 HB2 ARG A 60 15.208 -1.570 4.942 1.00 0.80 H new ATOM 0 HB3 ARG A 60 16.811 -1.334 5.609 1.00 0.80 H new ATOM 0 HG2 ARG A 60 16.933 -3.635 5.529 1.00 0.95 H new ATOM 0 HG3 ARG A 60 16.031 -3.561 7.030 1.00 0.95 H new ATOM 0 HD2 ARG A 60 14.611 -3.603 4.313 1.00 1.03 H new ATOM 0 HD3 ARG A 60 15.029 -5.081 5.158 1.00 1.03 H new ATOM 0 HE ARG A 60 13.103 -2.970 6.156 1.00 1.10 H new ATOM 0 HH11 ARG A 60 12.186 -5.780 5.839 1.00 1.49 H new ATOM 0 HH12 ARG A 60 12.336 -6.432 7.474 1.00 1.49 H new ATOM 0 HH21 ARG A 60 14.473 -3.882 8.563 1.00 1.60 H new ATOM 0 HH22 ARG A 60 13.621 -5.366 9.005 1.00 1.60 H new ATOM 958 N GLU A 61 15.632 -1.654 9.418 1.00 0.71 N ATOM 959 CA GLU A 61 16.488 -1.844 10.628 1.00 0.90 C ATOM 960 C GLU A 61 16.240 -3.234 11.229 1.00 0.98 C ATOM 961 O GLU A 61 17.165 -3.981 11.484 1.00 1.14 O ATOM 962 CB GLU A 61 16.055 -0.745 11.605 1.00 1.01 C ATOM 963 CG GLU A 61 17.077 0.397 11.588 1.00 1.17 C ATOM 964 CD GLU A 61 16.723 1.397 10.482 1.00 1.08 C ATOM 965 OE1 GLU A 61 15.829 2.200 10.699 1.00 1.21 O ATOM 966 OE2 GLU A 61 17.354 1.346 9.439 1.00 1.11 O ATOM 0 H GLU A 61 14.632 -1.779 9.574 1.00 0.71 H new ATOM 0 HA GLU A 61 17.552 -1.779 10.399 1.00 0.90 H new ATOM 0 HB2 GLU A 61 15.070 -0.368 11.329 1.00 1.01 H new ATOM 0 HB3 GLU A 61 15.969 -1.154 12.612 1.00 1.01 H new ATOM 0 HG2 GLU A 61 17.089 0.900 12.555 1.00 1.17 H new ATOM 0 HG3 GLU A 61 18.078 -0.002 11.423 1.00 1.17 H new ATOM 973 N LEU A 62 14.993 -3.584 11.447 1.00 0.94 N ATOM 974 CA LEU A 62 14.667 -4.928 12.022 1.00 1.10 C ATOM 975 C LEU A 62 13.187 -5.265 11.788 1.00 1.13 C ATOM 976 O LEU A 62 12.397 -4.405 11.448 1.00 1.03 O ATOM 977 CB LEU A 62 14.985 -4.830 13.526 1.00 1.25 C ATOM 978 CG LEU A 62 13.832 -4.157 14.277 1.00 1.33 C ATOM 979 CD1 LEU A 62 14.150 -4.118 15.774 1.00 1.54 C ATOM 980 CD2 LEU A 62 13.655 -2.734 13.755 1.00 1.25 C ATOM 0 H LEU A 62 14.185 -2.994 11.250 1.00 0.94 H new ATOM 0 HA LEU A 62 15.245 -5.723 11.550 1.00 1.10 H new ATOM 0 HB2 LEU A 62 15.159 -5.826 13.932 1.00 1.25 H new ATOM 0 HB3 LEU A 62 15.903 -4.261 13.673 1.00 1.25 H new ATOM 0 HG LEU A 62 12.913 -4.721 14.119 1.00 1.33 H new ATOM 0 HD11 LEU A 62 13.329 -3.639 16.308 1.00 1.54 H new ATOM 0 HD12 LEU A 62 14.280 -5.135 16.145 1.00 1.54 H new ATOM 0 HD13 LEU A 62 15.068 -3.552 15.936 1.00 1.54 H new ATOM 0 HD21 LEU A 62 12.835 -2.251 14.287 1.00 1.25 H new ATOM 0 HD22 LEU A 62 14.574 -2.170 13.916 1.00 1.25 H new ATOM 0 HD23 LEU A 62 13.429 -2.763 12.689 1.00 1.25 H new ATOM 992 N GLU A 63 12.816 -6.516 11.969 1.00 1.34 N ATOM 993 CA GLU A 63 11.389 -6.946 11.768 1.00 1.46 C ATOM 994 C GLU A 63 10.924 -6.663 10.327 1.00 1.30 C ATOM 995 O GLU A 63 11.649 -6.105 9.525 1.00 1.12 O ATOM 996 CB GLU A 63 10.573 -6.149 12.813 1.00 1.56 C ATOM 997 CG GLU A 63 9.713 -5.063 12.144 1.00 1.43 C ATOM 998 CD GLU A 63 9.489 -3.909 13.124 1.00 1.63 C ATOM 999 OE1 GLU A 63 10.304 -3.000 13.136 1.00 1.62 O ATOM 1000 OE2 GLU A 63 8.506 -3.951 13.846 1.00 1.98 O ATOM 0 H GLU A 63 13.449 -7.265 12.250 1.00 1.34 H new ATOM 0 HA GLU A 63 11.259 -8.019 11.906 1.00 1.46 H new ATOM 0 HB2 GLU A 63 9.931 -6.830 13.372 1.00 1.56 H new ATOM 0 HB3 GLU A 63 11.251 -5.687 13.531 1.00 1.56 H new ATOM 0 HG2 GLU A 63 10.206 -4.698 11.243 1.00 1.43 H new ATOM 0 HG3 GLU A 63 8.755 -5.482 11.835 1.00 1.43 H new ATOM 1007 N LEU A 64 9.713 -7.044 9.998 1.00 1.45 N ATOM 1008 CA LEU A 64 9.196 -6.793 8.617 1.00 1.35 C ATOM 1009 C LEU A 64 8.824 -5.315 8.464 1.00 1.15 C ATOM 1010 O LEU A 64 8.279 -4.709 9.369 1.00 1.25 O ATOM 1011 CB LEU A 64 7.951 -7.677 8.481 1.00 1.58 C ATOM 1012 CG LEU A 64 7.482 -7.684 7.022 1.00 1.58 C ATOM 1013 CD1 LEU A 64 6.915 -9.063 6.673 1.00 1.84 C ATOM 1014 CD2 LEU A 64 6.392 -6.623 6.827 1.00 1.58 C ATOM 0 H LEU A 64 9.062 -7.517 10.625 1.00 1.45 H new ATOM 0 HA LEU A 64 9.936 -7.023 7.851 1.00 1.35 H new ATOM 0 HB2 LEU A 64 8.177 -8.693 8.806 1.00 1.58 H new ATOM 0 HB3 LEU A 64 7.156 -7.305 9.127 1.00 1.58 H new ATOM 0 HG LEU A 64 8.327 -7.461 6.371 1.00 1.58 H new ATOM 0 HD11 LEU A 64 6.582 -9.067 5.635 1.00 1.84 H new ATOM 0 HD12 LEU A 64 7.688 -9.819 6.809 1.00 1.84 H new ATOM 0 HD13 LEU A 64 6.071 -9.285 7.326 1.00 1.84 H new ATOM 0 HD21 LEU A 64 6.060 -6.629 5.789 1.00 1.58 H new ATOM 0 HD22 LEU A 64 5.548 -6.845 7.480 1.00 1.58 H new ATOM 0 HD23 LEU A 64 6.793 -5.640 7.074 1.00 1.58 H new ATOM 1026 N GLU A 65 9.115 -4.728 7.330 1.00 0.97 N ATOM 1027 CA GLU A 65 8.779 -3.287 7.128 1.00 0.84 C ATOM 1028 C GLU A 65 8.379 -3.021 5.670 1.00 0.72 C ATOM 1029 O GLU A 65 7.213 -2.850 5.370 1.00 0.78 O ATOM 1030 CB GLU A 65 10.057 -2.532 7.490 1.00 0.86 C ATOM 1031 CG GLU A 65 9.711 -1.084 7.846 1.00 1.09 C ATOM 1032 CD GLU A 65 10.720 -0.138 7.197 1.00 1.45 C ATOM 1033 OE1 GLU A 65 10.734 -0.063 5.979 1.00 1.89 O ATOM 1034 OE2 GLU A 65 11.457 0.496 7.927 1.00 1.76 O ATOM 0 H GLU A 65 9.569 -5.183 6.538 1.00 0.97 H new ATOM 0 HA GLU A 65 7.933 -2.973 7.738 1.00 0.84 H new ATOM 0 HB2 GLU A 65 10.552 -3.016 8.332 1.00 0.86 H new ATOM 0 HB3 GLU A 65 10.755 -2.555 6.653 1.00 0.86 H new ATOM 0 HG2 GLU A 65 8.704 -0.846 7.504 1.00 1.09 H new ATOM 0 HG3 GLU A 65 9.720 -0.954 8.928 1.00 1.09 H new ATOM 1041 N HIS A 66 9.337 -2.983 4.764 1.00 0.69 N ATOM 1042 CA HIS A 66 9.024 -2.727 3.320 1.00 0.74 C ATOM 1043 C HIS A 66 8.316 -1.365 3.136 1.00 0.78 C ATOM 1044 O HIS A 66 7.715 -1.164 2.094 1.00 1.34 O ATOM 1045 CB HIS A 66 8.112 -3.889 2.914 1.00 0.97 C ATOM 1046 CG HIS A 66 8.254 -4.161 1.439 1.00 1.14 C ATOM 1047 ND1 HIS A 66 7.430 -3.571 0.495 1.00 1.53 N ATOM 1048 CD2 HIS A 66 9.121 -4.957 0.733 1.00 1.33 C ATOM 1049 CE1 HIS A 66 7.813 -4.016 -0.715 1.00 1.61 C ATOM 1050 NE2 HIS A 66 8.841 -4.863 -0.627 1.00 1.48 N ATOM 1051 OXT HIS A 66 8.398 -0.543 4.035 1.00 1.16 O ATOM 0 H HIS A 66 10.327 -3.120 4.968 1.00 0.69 H new ATOM 0 HA HIS A 66 9.922 -2.676 2.704 1.00 0.74 H new ATOM 0 HB2 HIS A 66 8.370 -4.782 3.484 1.00 0.97 H new ATOM 0 HB3 HIS A 66 7.075 -3.649 3.150 1.00 0.97 H new ATOM 0 HD1 HIS A 66 6.670 -2.917 0.683 1.00 1.53 H new ATOM 0 HD2 HIS A 66 9.902 -5.564 1.167 1.00 1.33 H new ATOM 0 HE1 HIS A 66 7.346 -3.724 -1.644 1.00 1.61 H new TER 1059 HIS A 66