USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 7 GLN : amide:sc= 0.784 K(o=1.7,f=0.52) USER MOD Set 1.2: A 31 SER OG : rot -132:sc= 0.937 USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 TYR OH : rot -157:sc= 0.631 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00891) USER MOD Single : A 4 THR OG1 : rot -35:sc= -0.168! USER MOD Single : A 11 CYS SG : rot -42:sc= 0.084 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0379 USER MOD Single : A 16 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0491 K(o=-0.049,f=-2.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.503 -1.872 2.007 1.00 0.00 N ATOM 2 CA MET A 1 12.251 -1.872 0.761 1.00 0.00 C ATOM 3 C MET A 1 11.333 -1.593 -0.430 1.00 0.00 C ATOM 4 O MET A 1 11.622 -0.724 -1.251 1.00 0.00 O ATOM 5 CB MET A 1 12.932 -3.229 0.575 1.00 0.00 C ATOM 6 CG MET A 1 14.361 -3.206 1.122 1.00 0.00 C ATOM 7 SD MET A 1 15.390 -4.326 0.189 1.00 0.00 S ATOM 8 CE MET A 1 17.004 -3.786 0.728 1.00 0.00 C ATOM 0 H1 MET A 1 12.154 -2.030 2.803 1.00 0.00 H new ATOM 0 H2 MET A 1 11.027 -0.955 2.126 1.00 0.00 H new ATOM 0 H3 MET A 1 10.792 -2.631 1.985 1.00 0.00 H new ATOM 0 HA MET A 1 13.001 -1.083 0.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.356 -4.002 1.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.948 -3.490 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.765 -2.195 1.065 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.361 -3.490 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.771 -4.386 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.142 -2.737 0.468 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.086 -3.906 1.808 1.00 0.00 H new ATOM 18 N ALA A 2 10.245 -2.346 -0.487 1.00 0.00 N ATOM 19 CA ALA A 2 9.282 -2.191 -1.564 1.00 0.00 C ATOM 20 C ALA A 2 8.220 -1.172 -1.150 1.00 0.00 C ATOM 21 O ALA A 2 8.545 -0.115 -0.610 1.00 0.00 O ATOM 22 CB ALA A 2 8.679 -3.554 -1.910 1.00 0.00 C ATOM 0 H ALA A 2 10.009 -3.066 0.196 1.00 0.00 H new ATOM 0 HA ALA A 2 9.769 -1.812 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.957 -3.438 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.471 -4.233 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.179 -3.964 -1.032 1.00 0.00 H new ATOM 28 N LEU A 3 6.971 -1.524 -1.418 1.00 0.00 N ATOM 29 CA LEU A 3 5.858 -0.652 -1.080 1.00 0.00 C ATOM 30 C LEU A 3 5.605 -0.718 0.428 1.00 0.00 C ATOM 31 O LEU A 3 6.259 -1.479 1.138 1.00 0.00 O ATOM 32 CB LEU A 3 4.631 -0.998 -1.925 1.00 0.00 C ATOM 33 CG LEU A 3 4.739 -0.691 -3.420 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.722 -1.506 -4.222 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.605 0.810 -3.683 1.00 0.00 C ATOM 0 H LEU A 3 6.705 -2.401 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 3 6.099 0.384 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.421 -2.061 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.774 -0.457 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 3 5.731 -0.990 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.820 -1.269 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.907 -2.569 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.714 -1.261 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.685 1.000 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.636 1.157 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.398 1.343 -3.159 1.00 0.00 H new ATOM 47 N THR A 4 4.653 0.091 0.871 1.00 0.00 N ATOM 48 CA THR A 4 4.305 0.134 2.281 1.00 0.00 C ATOM 49 C THR A 4 2.873 0.640 2.461 1.00 0.00 C ATOM 50 O THR A 4 2.588 1.811 2.216 1.00 0.00 O ATOM 51 CB THR A 4 5.348 0.993 2.999 1.00 0.00 C ATOM 52 OG1 THR A 4 6.596 0.448 2.581 1.00 0.00 O ATOM 53 CG2 THR A 4 5.338 0.782 4.515 1.00 0.00 C ATOM 0 H THR A 4 4.112 0.721 0.279 1.00 0.00 H new ATOM 0 HA THR A 4 4.322 -0.862 2.724 1.00 0.00 H new ATOM 0 HB THR A 4 5.165 2.045 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.508 -0.521 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.097 1.415 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.357 1.043 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.553 -0.263 4.738 1.00 0.00 H new ATOM 61 N LEU A 5 2.008 -0.269 2.888 1.00 0.00 N ATOM 62 CA LEU A 5 0.612 0.070 3.104 1.00 0.00 C ATOM 63 C LEU A 5 0.299 -0.002 4.600 1.00 0.00 C ATOM 64 O LEU A 5 0.135 -1.089 5.152 1.00 0.00 O ATOM 65 CB LEU A 5 -0.294 -0.813 2.244 1.00 0.00 C ATOM 66 CG LEU A 5 -1.758 -0.899 2.680 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.558 0.293 2.153 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.376 -2.235 2.262 1.00 0.00 C ATOM 0 H LEU A 5 2.247 -1.240 3.090 1.00 0.00 H new ATOM 0 HA LEU A 5 0.416 1.094 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.262 -0.443 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.120 -1.821 2.232 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.794 -0.854 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.595 0.207 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.132 1.218 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.518 0.305 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.417 -2.271 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.328 -2.335 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.824 -3.052 2.727 1.00 0.00 H new ATOM 80 N TYR A 6 0.226 1.170 5.215 1.00 0.00 N ATOM 81 CA TYR A 6 -0.064 1.253 6.636 1.00 0.00 C ATOM 82 C TYR A 6 -1.504 0.827 6.928 1.00 0.00 C ATOM 83 O TYR A 6 -2.425 1.202 6.203 1.00 0.00 O ATOM 84 CB TYR A 6 0.107 2.725 7.016 1.00 0.00 C ATOM 85 CG TYR A 6 1.559 3.207 6.997 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.367 3.006 8.098 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.060 3.844 5.880 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.734 3.460 8.080 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.426 4.299 5.863 1.00 0.00 C ATOM 90 CZ TYR A 6 4.196 4.084 6.964 1.00 0.00 C ATOM 91 OH TYR A 6 5.486 4.513 6.947 1.00 0.00 O ATOM 0 H TYR A 6 0.363 2.070 4.755 1.00 0.00 H new ATOM 0 HA TYR A 6 0.597 0.596 7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.478 3.337 6.329 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.305 2.883 8.013 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.974 2.509 8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.428 4.001 5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.377 3.308 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.830 4.800 4.996 1.00 0.00 H new ATOM 0 HH TYR A 6 5.678 4.939 6.086 1.00 0.00 H new ATOM 101 N GLN A 7 -1.654 0.050 7.990 1.00 0.00 N ATOM 102 CA GLN A 7 -2.967 -0.430 8.386 1.00 0.00 C ATOM 103 C GLN A 7 -3.125 -0.350 9.906 1.00 0.00 C ATOM 104 O GLN A 7 -2.146 -0.162 10.627 1.00 0.00 O ATOM 105 CB GLN A 7 -3.203 -1.857 7.886 1.00 0.00 C ATOM 106 CG GLN A 7 -2.182 -2.825 8.486 1.00 0.00 C ATOM 107 CD GLN A 7 -2.499 -4.269 8.093 1.00 0.00 C ATOM 108 OE1 GLN A 7 -1.736 -4.937 7.415 1.00 0.00 O ATOM 109 NE2 GLN A 7 -3.665 -4.712 8.556 1.00 0.00 N ATOM 0 H GLN A 7 -0.888 -0.259 8.589 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.720 0.211 7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.211 -2.176 8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.136 -1.881 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.181 -2.562 8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.181 -2.732 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.256 -4.100 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.968 -5.664 8.349 1.00 0.00 H new ATOM 118 N ARG A 8 -4.366 -0.495 10.349 1.00 0.00 N ATOM 119 CA ARG A 8 -4.665 -0.441 11.769 1.00 0.00 C ATOM 120 C ARG A 8 -5.645 -1.553 12.148 1.00 0.00 C ATOM 121 O ARG A 8 -6.155 -2.259 11.279 1.00 0.00 O ATOM 122 CB ARG A 8 -5.266 0.912 12.155 1.00 0.00 C ATOM 123 CG ARG A 8 -6.707 1.034 11.656 1.00 0.00 C ATOM 124 CD ARG A 8 -7.336 2.352 12.114 1.00 0.00 C ATOM 125 NE ARG A 8 -8.561 2.082 12.899 1.00 0.00 N ATOM 126 CZ ARG A 8 -9.772 1.890 12.359 1.00 0.00 C ATOM 127 NH1 ARG A 8 -9.928 1.937 11.029 1.00 0.00 N ATOM 128 NH2 ARG A 8 -10.828 1.652 13.149 1.00 0.00 N ATOM 0 H ARG A 8 -5.176 -0.650 9.748 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.728 -0.577 12.310 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.241 1.029 13.238 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.662 1.716 11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.725 0.977 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.297 0.197 12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.624 2.914 12.718 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.577 2.969 11.249 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.478 2.039 13.915 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.125 2.119 10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.850 1.791 10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.710 1.617 14.162 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.750 1.506 12.738 1.00 0.00 H new ATOM 142 N ASP A 9 -5.880 -1.674 13.446 1.00 0.00 N ATOM 143 CA ASP A 9 -6.790 -2.688 13.951 1.00 0.00 C ATOM 144 C ASP A 9 -8.040 -2.729 13.070 1.00 0.00 C ATOM 145 O ASP A 9 -8.346 -1.761 12.375 1.00 0.00 O ATOM 146 CB ASP A 9 -7.230 -2.371 15.382 1.00 0.00 C ATOM 147 CG ASP A 9 -6.511 -3.169 16.471 1.00 0.00 C ATOM 148 OD1 ASP A 9 -5.274 -3.302 16.354 1.00 0.00 O ATOM 149 OD2 ASP A 9 -7.216 -3.629 17.396 1.00 0.00 O ATOM 0 H ASP A 9 -5.456 -1.086 14.164 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.269 -3.645 13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.073 -1.308 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.301 -2.554 15.466 1.00 0.00 H new ATOM 154 N ASP A 10 -8.730 -3.859 13.128 1.00 0.00 N ATOM 155 CA ASP A 10 -9.940 -4.038 12.344 1.00 0.00 C ATOM 156 C ASP A 10 -9.593 -3.969 10.855 1.00 0.00 C ATOM 157 O ASP A 10 -8.728 -3.193 10.451 1.00 0.00 O ATOM 158 CB ASP A 10 -10.959 -2.937 12.643 1.00 0.00 C ATOM 159 CG ASP A 10 -12.346 -3.157 12.037 1.00 0.00 C ATOM 160 OD1 ASP A 10 -12.752 -4.337 11.963 1.00 0.00 O ATOM 161 OD2 ASP A 10 -12.969 -2.141 11.662 1.00 0.00 O ATOM 0 H ASP A 10 -8.474 -4.660 13.706 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.369 -5.006 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.062 -2.842 13.724 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.565 -1.989 12.276 1.00 0.00 H new ATOM 166 N CYS A 11 -10.285 -4.791 10.080 1.00 0.00 N ATOM 167 CA CYS A 11 -10.061 -4.833 8.645 1.00 0.00 C ATOM 168 C CYS A 11 -11.354 -4.409 7.945 1.00 0.00 C ATOM 169 O CYS A 11 -12.399 -5.028 8.136 1.00 0.00 O ATOM 170 CB CYS A 11 -9.590 -6.214 8.186 1.00 0.00 C ATOM 171 SG CYS A 11 -7.763 -6.302 8.241 1.00 0.00 S ATOM 0 H CYS A 11 -11.001 -5.433 10.419 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.261 -4.142 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.019 -6.985 8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.941 -6.409 7.173 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.261 -5.193 7.786 1.00 0.00 H new ATOM 177 N HIS A 12 -11.240 -3.357 7.148 1.00 0.00 N ATOM 178 CA HIS A 12 -12.386 -2.843 6.418 1.00 0.00 C ATOM 179 C HIS A 12 -11.937 -1.718 5.483 1.00 0.00 C ATOM 180 O HIS A 12 -12.032 -1.844 4.263 1.00 0.00 O ATOM 181 CB HIS A 12 -13.493 -2.408 7.380 1.00 0.00 C ATOM 182 CG HIS A 12 -14.711 -1.833 6.697 1.00 0.00 C ATOM 183 ND1 HIS A 12 -14.983 -0.477 6.666 1.00 0.00 N ATOM 184 CD2 HIS A 12 -15.724 -2.445 6.019 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.112 -0.292 5.998 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.570 -1.513 5.598 1.00 0.00 N ATOM 0 H HIS A 12 -10.371 -2.846 6.992 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.812 -3.634 5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.797 -3.266 7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.091 -1.665 8.068 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -15.821 -3.508 5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.586 0.659 5.804 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -17.422 -1.682 5.063 1.00 0.00 H new ATOM 194 N LEU A 13 -11.458 -0.642 6.091 1.00 0.00 N ATOM 195 CA LEU A 13 -10.995 0.504 5.329 1.00 0.00 C ATOM 196 C LEU A 13 -9.731 0.120 4.556 1.00 0.00 C ATOM 197 O LEU A 13 -9.593 0.454 3.380 1.00 0.00 O ATOM 198 CB LEU A 13 -10.812 1.717 6.243 1.00 0.00 C ATOM 199 CG LEU A 13 -10.566 3.055 5.542 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.849 3.576 4.891 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.956 4.075 6.505 1.00 0.00 C ATOM 0 H LEU A 13 -11.381 -0.541 7.103 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.743 0.799 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.701 1.814 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.974 1.520 6.911 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.842 2.895 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.647 4.528 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.202 2.855 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.613 3.717 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.791 5.017 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.636 4.239 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.005 3.698 6.880 1.00 0.00 H new ATOM 213 N CYS A 14 -8.841 -0.575 5.248 1.00 0.00 N ATOM 214 CA CYS A 14 -7.594 -1.008 4.642 1.00 0.00 C ATOM 215 C CYS A 14 -7.895 -2.184 3.711 1.00 0.00 C ATOM 216 O CYS A 14 -7.174 -2.413 2.741 1.00 0.00 O ATOM 217 CB CYS A 14 -6.547 -1.370 5.698 1.00 0.00 C ATOM 218 SG CYS A 14 -7.142 -2.771 6.715 1.00 0.00 S ATOM 0 H CYS A 14 -8.959 -0.849 6.223 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.164 -0.189 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.607 -1.635 5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.347 -0.508 6.334 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.245 -3.072 7.607 1.00 0.00 H new ATOM 224 N ASP A 15 -8.962 -2.899 4.038 1.00 0.00 N ATOM 225 CA ASP A 15 -9.367 -4.045 3.243 1.00 0.00 C ATOM 226 C ASP A 15 -9.567 -3.608 1.790 1.00 0.00 C ATOM 227 O ASP A 15 -8.987 -4.193 0.877 1.00 0.00 O ATOM 228 CB ASP A 15 -10.689 -4.626 3.748 1.00 0.00 C ATOM 229 CG ASP A 15 -10.855 -6.133 3.540 1.00 0.00 C ATOM 230 OD1 ASP A 15 -11.226 -6.512 2.407 1.00 0.00 O ATOM 231 OD2 ASP A 15 -10.608 -6.872 4.517 1.00 0.00 O ATOM 0 H ASP A 15 -9.558 -2.706 4.843 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.587 -4.802 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.781 -4.409 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.509 -4.113 3.246 1.00 0.00 H new ATOM 236 N GLN A 16 -10.391 -2.584 1.622 1.00 0.00 N ATOM 237 CA GLN A 16 -10.675 -2.062 0.297 1.00 0.00 C ATOM 238 C GLN A 16 -9.379 -1.631 -0.393 1.00 0.00 C ATOM 239 O GLN A 16 -9.246 -1.761 -1.609 1.00 0.00 O ATOM 240 CB GLN A 16 -11.671 -0.902 0.366 1.00 0.00 C ATOM 241 CG GLN A 16 -13.106 -1.401 0.186 1.00 0.00 C ATOM 242 CD GLN A 16 -13.997 -0.307 -0.406 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.901 0.045 -1.571 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.866 0.210 0.457 1.00 0.00 N ATOM 0 H GLN A 16 -10.871 -2.102 2.382 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.132 -2.856 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.577 -0.393 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.437 -0.170 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.112 -2.273 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.507 -1.721 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.894 -0.130 1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.505 0.947 0.158 1.00 0.00 H new ATOM 253 N ALA A 17 -8.456 -1.127 0.413 1.00 0.00 N ATOM 254 CA ALA A 17 -7.176 -0.676 -0.104 1.00 0.00 C ATOM 255 C ALA A 17 -6.431 -1.864 -0.717 1.00 0.00 C ATOM 256 O ALA A 17 -5.957 -1.787 -1.849 1.00 0.00 O ATOM 257 CB ALA A 17 -6.380 -0.004 1.017 1.00 0.00 C ATOM 0 H ALA A 17 -8.570 -1.021 1.421 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.320 0.065 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.419 0.334 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.939 0.851 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.214 -0.718 1.824 1.00 0.00 H new ATOM 263 N VAL A 18 -6.352 -2.935 0.059 1.00 0.00 N ATOM 264 CA VAL A 18 -5.673 -4.138 -0.393 1.00 0.00 C ATOM 265 C VAL A 18 -6.322 -4.627 -1.690 1.00 0.00 C ATOM 266 O VAL A 18 -5.638 -5.135 -2.577 1.00 0.00 O ATOM 267 CB VAL A 18 -5.683 -5.192 0.715 1.00 0.00 C ATOM 268 CG1 VAL A 18 -5.128 -6.525 0.209 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.908 -4.706 1.941 1.00 0.00 C ATOM 0 H VAL A 18 -6.747 -2.995 0.998 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.626 -3.927 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.719 -5.352 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.146 -7.257 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.740 -6.883 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.102 -6.386 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.931 -5.474 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.874 -4.503 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.366 -3.794 2.323 1.00 0.00 H new ATOM 279 N GLU A 19 -7.634 -4.457 -1.759 1.00 0.00 N ATOM 280 CA GLU A 19 -8.382 -4.875 -2.932 1.00 0.00 C ATOM 281 C GLU A 19 -7.873 -4.142 -4.175 1.00 0.00 C ATOM 282 O GLU A 19 -7.612 -4.765 -5.203 1.00 0.00 O ATOM 283 CB GLU A 19 -9.882 -4.646 -2.736 1.00 0.00 C ATOM 284 CG GLU A 19 -10.682 -5.893 -3.116 1.00 0.00 C ATOM 285 CD GLU A 19 -11.435 -5.682 -4.431 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.509 -5.046 -4.374 1.00 0.00 O ATOM 287 OE2 GLU A 19 -10.919 -6.162 -5.464 1.00 0.00 O ATOM 0 H GLU A 19 -8.198 -4.035 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.227 -5.944 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.081 -4.385 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.207 -3.802 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.010 -6.746 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.390 -6.131 -2.322 1.00 0.00 H new ATOM 294 N ALA A 20 -7.748 -2.830 -4.040 1.00 0.00 N ATOM 295 CA ALA A 20 -7.275 -2.006 -5.139 1.00 0.00 C ATOM 296 C ALA A 20 -5.849 -2.422 -5.506 1.00 0.00 C ATOM 297 O ALA A 20 -5.489 -2.446 -6.682 1.00 0.00 O ATOM 298 CB ALA A 20 -7.370 -0.530 -4.748 1.00 0.00 C ATOM 0 H ALA A 20 -7.966 -2.317 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.897 -2.150 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.015 0.088 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.407 -0.278 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.756 -0.347 -3.867 1.00 0.00 H new ATOM 304 N LEU A 21 -5.077 -2.740 -4.477 1.00 0.00 N ATOM 305 CA LEU A 21 -3.698 -3.154 -4.677 1.00 0.00 C ATOM 306 C LEU A 21 -3.672 -4.451 -5.487 1.00 0.00 C ATOM 307 O LEU A 21 -3.036 -4.518 -6.538 1.00 0.00 O ATOM 308 CB LEU A 21 -2.969 -3.251 -3.335 1.00 0.00 C ATOM 309 CG LEU A 21 -1.968 -2.134 -3.033 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.912 -1.839 -1.533 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.588 -2.465 -3.604 1.00 0.00 C ATOM 0 H LEU A 21 -5.380 -2.719 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.155 -2.407 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.714 -3.269 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.441 -4.204 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.311 -1.225 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.193 -1.041 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.897 -1.528 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.605 -2.737 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.104 -1.655 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.223 -3.391 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.661 -2.586 -4.685 1.00 0.00 H new ATOM 323 N ALA A 22 -4.369 -5.450 -4.967 1.00 0.00 N ATOM 324 CA ALA A 22 -4.434 -6.742 -5.629 1.00 0.00 C ATOM 325 C ALA A 22 -4.936 -6.552 -7.062 1.00 0.00 C ATOM 326 O ALA A 22 -4.360 -7.096 -8.002 1.00 0.00 O ATOM 327 CB ALA A 22 -5.325 -7.687 -4.820 1.00 0.00 C ATOM 0 H ALA A 22 -4.894 -5.391 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.444 -7.195 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.373 -8.656 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.909 -7.812 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.328 -7.267 -4.746 1.00 0.00 H new ATOM 333 N GLN A 23 -6.004 -5.778 -7.182 1.00 0.00 N ATOM 334 CA GLN A 23 -6.591 -5.509 -8.484 1.00 0.00 C ATOM 335 C GLN A 23 -5.558 -4.859 -9.407 1.00 0.00 C ATOM 336 O GLN A 23 -5.411 -5.260 -10.561 1.00 0.00 O ATOM 337 CB GLN A 23 -7.838 -4.632 -8.354 1.00 0.00 C ATOM 338 CG GLN A 23 -9.060 -5.470 -7.973 1.00 0.00 C ATOM 339 CD GLN A 23 -10.246 -5.155 -8.886 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.103 -4.614 -9.970 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.424 -5.524 -8.389 1.00 0.00 N ATOM 0 H GLN A 23 -6.479 -5.328 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.899 -6.457 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.670 -3.864 -7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.025 -4.117 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.815 -6.530 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.332 -5.273 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.474 -5.973 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.277 -5.358 -8.923 1.00 0.00 H new ATOM 350 N ALA A 24 -4.868 -3.866 -8.865 1.00 0.00 N ATOM 351 CA ALA A 24 -3.853 -3.157 -9.625 1.00 0.00 C ATOM 352 C ALA A 24 -2.690 -4.105 -9.923 1.00 0.00 C ATOM 353 O ALA A 24 -1.821 -3.792 -10.736 1.00 0.00 O ATOM 354 CB ALA A 24 -3.409 -1.915 -8.850 1.00 0.00 C ATOM 0 H ALA A 24 -4.992 -3.536 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.255 -2.819 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.647 -1.383 -9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.266 -1.260 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.997 -2.215 -7.887 1.00 0.00 H new ATOM 360 N ARG A 25 -2.710 -5.245 -9.249 1.00 0.00 N ATOM 361 CA ARG A 25 -1.668 -6.241 -9.431 1.00 0.00 C ATOM 362 C ARG A 25 -0.310 -5.670 -9.018 1.00 0.00 C ATOM 363 O ARG A 25 0.701 -5.930 -9.669 1.00 0.00 O ATOM 364 CB ARG A 25 -1.597 -6.704 -10.887 1.00 0.00 C ATOM 365 CG ARG A 25 -2.478 -7.934 -11.115 1.00 0.00 C ATOM 366 CD ARG A 25 -1.632 -9.158 -11.470 1.00 0.00 C ATOM 367 NE ARG A 25 -2.349 -10.002 -12.451 1.00 0.00 N ATOM 368 CZ ARG A 25 -3.464 -10.692 -12.175 1.00 0.00 C ATOM 369 NH1 ARG A 25 -3.995 -10.643 -10.946 1.00 0.00 N ATOM 370 NH2 ARG A 25 -4.047 -11.432 -13.128 1.00 0.00 N ATOM 0 H ARG A 25 -3.432 -5.501 -8.575 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.913 -7.096 -8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.917 -5.896 -11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.565 -6.938 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.061 -8.139 -10.217 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.188 -7.733 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.674 -8.841 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.417 -9.735 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.971 -10.062 -13.396 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.551 -10.080 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.844 -11.168 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.642 -11.470 -14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.896 -11.957 -12.918 1.00 0.00 H new ATOM 384 N ALA A 26 -0.330 -4.901 -7.939 1.00 0.00 N ATOM 385 CA ALA A 26 0.887 -4.291 -7.432 1.00 0.00 C ATOM 386 C ALA A 26 1.964 -5.366 -7.272 1.00 0.00 C ATOM 387 O ALA A 26 3.005 -5.308 -7.924 1.00 0.00 O ATOM 388 CB ALA A 26 0.586 -3.567 -6.117 1.00 0.00 C ATOM 0 H ALA A 26 -1.170 -4.687 -7.402 1.00 0.00 H new ATOM 0 HA ALA A 26 1.265 -3.548 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.499 -3.109 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.163 -2.794 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.207 -4.282 -5.387 1.00 0.00 H new ATOM 394 N GLY A 27 1.675 -6.323 -6.402 1.00 0.00 N ATOM 395 CA GLY A 27 2.606 -7.409 -6.149 1.00 0.00 C ATOM 396 C GLY A 27 2.787 -7.637 -4.647 1.00 0.00 C ATOM 397 O GLY A 27 1.819 -7.606 -3.889 1.00 0.00 O ATOM 0 H GLY A 27 0.810 -6.369 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.241 -8.323 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.570 -7.180 -6.605 1.00 0.00 H new ATOM 401 N ALA A 28 4.035 -7.861 -4.261 1.00 0.00 N ATOM 402 CA ALA A 28 4.355 -8.094 -2.863 1.00 0.00 C ATOM 403 C ALA A 28 4.779 -6.775 -2.215 1.00 0.00 C ATOM 404 O ALA A 28 5.251 -5.867 -2.898 1.00 0.00 O ATOM 405 CB ALA A 28 5.439 -9.169 -2.760 1.00 0.00 C ATOM 0 H ALA A 28 4.836 -7.886 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 28 3.481 -8.460 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.679 -9.344 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.078 -10.094 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.333 -8.836 -3.286 1.00 0.00 H new ATOM 411 N PHE A 29 4.596 -6.711 -0.904 1.00 0.00 N ATOM 412 CA PHE A 29 4.954 -5.517 -0.156 1.00 0.00 C ATOM 413 C PHE A 29 5.021 -5.810 1.344 1.00 0.00 C ATOM 414 O PHE A 29 4.806 -6.944 1.769 1.00 0.00 O ATOM 415 CB PHE A 29 3.857 -4.483 -0.414 1.00 0.00 C ATOM 416 CG PHE A 29 2.440 -5.004 -0.167 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.878 -4.890 1.066 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.742 -5.581 -1.182 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.563 -5.374 1.294 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.427 -6.065 -0.953 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.135 -5.951 0.280 1.00 0.00 C ATOM 0 H PHE A 29 4.205 -7.466 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 29 5.933 -5.158 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.031 -3.617 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.932 -4.139 -1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.432 -4.431 1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.188 -5.671 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.117 -5.284 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.127 -6.524 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.136 -6.319 0.454 1.00 0.00 H new ATOM 431 N PHE A 30 5.320 -4.768 2.105 1.00 0.00 N ATOM 432 CA PHE A 30 5.418 -4.899 3.549 1.00 0.00 C ATOM 433 C PHE A 30 4.309 -4.109 4.247 1.00 0.00 C ATOM 434 O PHE A 30 4.015 -2.977 3.868 1.00 0.00 O ATOM 435 CB PHE A 30 6.774 -4.322 3.959 1.00 0.00 C ATOM 436 CG PHE A 30 7.970 -5.031 3.320 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.299 -4.776 2.025 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.705 -5.915 4.047 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.409 -5.433 1.432 1.00 0.00 C ATOM 440 CE2 PHE A 30 9.815 -6.572 3.453 1.00 0.00 C ATOM 441 CZ PHE A 30 10.144 -6.317 2.158 1.00 0.00 C ATOM 0 H PHE A 30 5.498 -3.829 1.749 1.00 0.00 H new ATOM 0 HA PHE A 30 5.318 -5.946 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.804 -3.266 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.868 -4.378 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.716 -4.074 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.445 -6.117 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.670 -5.231 0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.398 -7.275 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.989 -6.816 1.707 1.00 0.00 H new ATOM 451 N SER A 31 3.724 -4.739 5.256 1.00 0.00 N ATOM 452 CA SER A 31 2.654 -4.109 6.011 1.00 0.00 C ATOM 453 C SER A 31 3.196 -3.568 7.336 1.00 0.00 C ATOM 454 O SER A 31 4.023 -4.211 7.981 1.00 0.00 O ATOM 455 CB SER A 31 1.509 -5.091 6.268 1.00 0.00 C ATOM 456 OG SER A 31 0.349 -4.769 5.506 1.00 0.00 O ATOM 0 H SER A 31 3.971 -5.678 5.568 1.00 0.00 H new ATOM 0 HA SER A 31 2.261 -3.281 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.836 -6.101 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.259 -5.087 7.329 1.00 0.00 H new ATOM 0 HG SER A 31 -0.439 -4.785 6.088 1.00 0.00 H new ATOM 462 N VAL A 32 2.709 -2.392 7.702 1.00 0.00 N ATOM 463 CA VAL A 32 3.134 -1.758 8.938 1.00 0.00 C ATOM 464 C VAL A 32 1.902 -1.388 9.767 1.00 0.00 C ATOM 465 O VAL A 32 0.962 -0.784 9.252 1.00 0.00 O ATOM 466 CB VAL A 32 4.029 -0.556 8.628 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.454 0.157 9.914 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.249 -0.978 7.806 1.00 0.00 C ATOM 0 H VAL A 32 2.024 -1.861 7.164 1.00 0.00 H new ATOM 0 HA VAL A 32 3.732 -2.447 9.535 1.00 0.00 H new ATOM 0 HB VAL A 32 3.450 0.148 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.089 1.007 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.569 0.508 10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.007 -0.536 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.868 -0.105 7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.830 -1.710 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.919 -1.419 6.866 1.00 0.00 H new ATOM 478 N PHE A 33 1.947 -1.766 11.036 1.00 0.00 N ATOM 479 CA PHE A 33 0.846 -1.482 11.940 1.00 0.00 C ATOM 480 C PHE A 33 1.101 -0.194 12.726 1.00 0.00 C ATOM 481 O PHE A 33 2.128 -0.059 13.388 1.00 0.00 O ATOM 482 CB PHE A 33 0.759 -2.654 12.920 1.00 0.00 C ATOM 483 CG PHE A 33 0.588 -4.017 12.247 1.00 0.00 C ATOM 484 CD1 PHE A 33 -0.651 -4.449 11.891 1.00 0.00 C ATOM 485 CD2 PHE A 33 1.676 -4.796 12.004 1.00 0.00 C ATOM 486 CE1 PHE A 33 -0.809 -5.715 11.266 1.00 0.00 C ATOM 487 CE2 PHE A 33 1.518 -6.061 11.379 1.00 0.00 C ATOM 488 CZ PHE A 33 0.279 -6.494 11.023 1.00 0.00 C ATOM 0 H PHE A 33 2.729 -2.266 11.459 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.077 -1.355 11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.662 -2.672 13.530 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.079 -2.487 13.597 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.515 -3.830 12.083 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.660 -4.452 12.286 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.793 -6.059 10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.382 -6.680 11.186 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.159 -7.456 10.547 1.00 0.00 H new ATOM 498 N ILE A 34 0.147 0.721 12.625 1.00 0.00 N ATOM 499 CA ILE A 34 0.255 1.993 13.318 1.00 0.00 C ATOM 500 C ILE A 34 -0.205 1.821 14.767 1.00 0.00 C ATOM 501 O ILE A 34 0.103 2.650 15.622 1.00 0.00 O ATOM 502 CB ILE A 34 -0.504 3.083 12.558 1.00 0.00 C ATOM 503 CG1 ILE A 34 -2.016 2.912 12.717 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.083 3.120 11.087 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.718 4.270 12.782 1.00 0.00 C ATOM 0 H ILE A 34 -0.704 0.606 12.074 1.00 0.00 H new ATOM 0 HA ILE A 34 1.294 2.322 13.350 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.242 4.048 12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.410 2.335 11.881 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.228 2.345 13.624 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.637 3.903 10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.985 3.326 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.297 2.157 10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.792 4.120 12.895 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.339 4.835 13.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.524 4.824 11.864 1.00 0.00 H new ATOM 517 N ASP A 35 -0.934 0.739 14.998 1.00 0.00 N ATOM 518 CA ASP A 35 -1.439 0.448 16.329 1.00 0.00 C ATOM 519 C ASP A 35 -0.280 0.000 17.223 1.00 0.00 C ATOM 520 O ASP A 35 -0.138 -1.187 17.512 1.00 0.00 O ATOM 521 CB ASP A 35 -2.471 -0.681 16.292 1.00 0.00 C ATOM 522 CG ASP A 35 -2.909 -1.202 17.662 1.00 0.00 C ATOM 523 OD1 ASP A 35 -3.623 -0.446 18.354 1.00 0.00 O ATOM 524 OD2 ASP A 35 -2.520 -2.345 17.985 1.00 0.00 O ATOM 0 H ASP A 35 -1.187 0.054 14.286 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.908 1.352 16.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.352 -0.330 15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.058 -1.511 15.719 1.00 0.00 H new ATOM 529 N ASP A 36 0.518 0.974 17.635 1.00 0.00 N ATOM 530 CA ASP A 36 1.659 0.695 18.490 1.00 0.00 C ATOM 531 C ASP A 36 2.542 1.941 18.577 1.00 0.00 C ATOM 532 O ASP A 36 3.168 2.192 19.606 1.00 0.00 O ATOM 533 CB ASP A 36 2.506 -0.446 17.922 1.00 0.00 C ATOM 534 CG ASP A 36 2.849 -0.320 16.437 1.00 0.00 C ATOM 535 OD1 ASP A 36 2.240 0.557 15.786 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.712 -1.103 15.985 1.00 0.00 O ATOM 0 H ASP A 36 0.397 1.957 17.393 1.00 0.00 H new ATOM 0 HA ASP A 36 1.283 0.411 19.473 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.434 -0.506 18.490 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.975 -1.385 18.078 1.00 0.00 H new ATOM 541 N ASP A 37 2.565 2.689 17.484 1.00 0.00 N ATOM 542 CA ASP A 37 3.361 3.903 17.424 1.00 0.00 C ATOM 543 C ASP A 37 2.432 5.111 17.297 1.00 0.00 C ATOM 544 O ASP A 37 1.855 5.347 16.236 1.00 0.00 O ATOM 545 CB ASP A 37 4.292 3.892 16.210 1.00 0.00 C ATOM 546 CG ASP A 37 5.692 3.335 16.473 1.00 0.00 C ATOM 547 OD1 ASP A 37 5.863 2.712 17.543 1.00 0.00 O ATOM 548 OD2 ASP A 37 6.560 3.545 15.598 1.00 0.00 O ATOM 0 H ASP A 37 2.045 2.478 16.632 1.00 0.00 H new ATOM 0 HA ASP A 37 3.957 3.961 18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.826 3.304 15.419 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.387 4.911 15.835 1.00 0.00 H new ATOM 553 N ALA A 38 2.315 5.846 18.393 1.00 0.00 N ATOM 554 CA ALA A 38 1.465 7.024 18.417 1.00 0.00 C ATOM 555 C ALA A 38 1.937 8.011 17.347 1.00 0.00 C ATOM 556 O ALA A 38 1.128 8.718 16.749 1.00 0.00 O ATOM 557 CB ALA A 38 1.479 7.635 19.820 1.00 0.00 C ATOM 0 H ALA A 38 2.795 5.648 19.271 1.00 0.00 H new ATOM 0 HA ALA A 38 0.433 6.757 18.187 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.841 8.519 19.838 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.107 6.905 20.539 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.498 7.917 20.084 1.00 0.00 H new ATOM 563 N ALA A 39 3.246 8.027 17.139 1.00 0.00 N ATOM 564 CA ALA A 39 3.835 8.914 16.151 1.00 0.00 C ATOM 565 C ALA A 39 3.178 8.667 14.792 1.00 0.00 C ATOM 566 O ALA A 39 2.809 9.611 14.095 1.00 0.00 O ATOM 567 CB ALA A 39 5.350 8.702 16.113 1.00 0.00 C ATOM 0 H ALA A 39 3.914 7.440 17.638 1.00 0.00 H new ATOM 0 HA ALA A 39 3.658 9.956 16.418 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.792 9.368 15.372 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.773 8.920 17.094 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.566 7.667 15.846 1.00 0.00 H new ATOM 573 N LEU A 40 3.051 7.391 14.455 1.00 0.00 N ATOM 574 CA LEU A 40 2.444 7.008 13.192 1.00 0.00 C ATOM 575 C LEU A 40 0.944 7.308 13.239 1.00 0.00 C ATOM 576 O LEU A 40 0.362 7.736 12.244 1.00 0.00 O ATOM 577 CB LEU A 40 2.769 5.550 12.862 1.00 0.00 C ATOM 578 CG LEU A 40 4.251 5.220 12.667 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.492 3.712 12.744 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.779 5.820 11.362 1.00 0.00 C ATOM 0 H LEU A 40 3.358 6.610 15.035 1.00 0.00 H new ATOM 0 HA LEU A 40 2.861 7.597 12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.380 4.922 13.663 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.234 5.276 11.953 1.00 0.00 H new ATOM 0 HG LEU A 40 4.813 5.677 13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.553 3.505 12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.178 3.343 13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.918 3.211 11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.834 5.571 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.217 5.414 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.663 6.903 11.386 1.00 0.00 H new ATOM 592 N GLU A 41 0.363 7.071 14.406 1.00 0.00 N ATOM 593 CA GLU A 41 -1.058 7.310 14.596 1.00 0.00 C ATOM 594 C GLU A 41 -1.379 8.792 14.389 1.00 0.00 C ATOM 595 O GLU A 41 -2.354 9.132 13.721 1.00 0.00 O ATOM 596 CB GLU A 41 -1.513 6.838 15.978 1.00 0.00 C ATOM 597 CG GLU A 41 -1.625 5.313 16.028 1.00 0.00 C ATOM 598 CD GLU A 41 -3.089 4.869 15.994 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.921 5.614 16.555 1.00 0.00 O ATOM 600 OE2 GLU A 41 -3.342 3.794 15.408 1.00 0.00 O ATOM 0 H GLU A 41 0.850 6.716 15.229 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.607 6.732 13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.805 7.179 16.734 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.477 7.285 16.219 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.090 4.878 15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.149 4.939 16.935 1.00 0.00 H new ATOM 607 N SER A 42 -0.540 9.633 14.976 1.00 0.00 N ATOM 608 CA SER A 42 -0.722 11.071 14.864 1.00 0.00 C ATOM 609 C SER A 42 -0.435 11.525 13.432 1.00 0.00 C ATOM 610 O SER A 42 -1.096 12.426 12.918 1.00 0.00 O ATOM 611 CB SER A 42 0.179 11.818 15.849 1.00 0.00 C ATOM 612 OG SER A 42 -0.555 12.734 16.656 1.00 0.00 O ATOM 0 H SER A 42 0.267 9.347 15.530 1.00 0.00 H new ATOM 0 HA SER A 42 -1.757 11.305 15.111 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.690 11.099 16.490 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.949 12.357 15.298 1.00 0.00 H new ATOM 0 HG SER A 42 0.056 13.189 17.272 1.00 0.00 H new ATOM 618 N ALA A 43 0.551 10.880 12.827 1.00 0.00 N ATOM 619 CA ALA A 43 0.934 11.207 11.463 1.00 0.00 C ATOM 620 C ALA A 43 -0.193 10.801 10.511 1.00 0.00 C ATOM 621 O ALA A 43 -0.612 11.592 9.667 1.00 0.00 O ATOM 622 CB ALA A 43 2.258 10.519 11.126 1.00 0.00 C ATOM 0 H ALA A 43 1.097 10.132 13.256 1.00 0.00 H new ATOM 0 HA ALA A 43 1.088 12.281 11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.545 10.764 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.032 10.863 11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.142 9.439 11.221 1.00 0.00 H new ATOM 628 N TYR A 44 -0.651 9.569 10.679 1.00 0.00 N ATOM 629 CA TYR A 44 -1.721 9.049 9.845 1.00 0.00 C ATOM 630 C TYR A 44 -3.063 9.102 10.578 1.00 0.00 C ATOM 631 O TYR A 44 -3.923 9.917 10.248 1.00 0.00 O ATOM 632 CB TYR A 44 -1.364 7.588 9.563 1.00 0.00 C ATOM 633 CG TYR A 44 -0.170 7.409 8.624 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.125 8.095 7.427 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.862 6.562 8.973 1.00 0.00 C ATOM 636 CE1 TYR A 44 0.999 7.926 6.542 1.00 0.00 C ATOM 637 CE2 TYR A 44 1.985 6.393 8.089 1.00 0.00 C ATOM 638 CZ TYR A 44 1.998 7.084 6.917 1.00 0.00 C ATOM 639 OH TYR A 44 3.060 6.924 6.082 1.00 0.00 O ATOM 0 H TYR A 44 -0.301 8.916 11.380 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.818 9.639 8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.148 7.089 10.508 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.231 7.090 9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.932 8.758 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.827 6.026 9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.047 8.456 5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.799 5.733 8.350 1.00 0.00 H new ATOM 0 HH TYR A 44 3.496 6.066 6.267 1.00 0.00 H new ATOM 649 N GLY A 45 -3.200 8.222 11.559 1.00 0.00 N ATOM 650 CA GLY A 45 -4.423 8.158 12.341 1.00 0.00 C ATOM 651 C GLY A 45 -5.624 7.823 11.455 1.00 0.00 C ATOM 652 O GLY A 45 -6.048 6.671 11.387 1.00 0.00 O ATOM 0 H GLY A 45 -2.484 7.548 11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.321 7.404 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.590 9.112 12.840 1.00 0.00 H new ATOM 656 N LEU A 46 -6.139 8.852 10.798 1.00 0.00 N ATOM 657 CA LEU A 46 -7.284 8.682 9.919 1.00 0.00 C ATOM 658 C LEU A 46 -6.801 8.210 8.546 1.00 0.00 C ATOM 659 O LEU A 46 -7.512 7.488 7.849 1.00 0.00 O ATOM 660 CB LEU A 46 -8.117 9.965 9.870 1.00 0.00 C ATOM 661 CG LEU A 46 -9.341 10.004 10.786 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.452 9.096 10.256 1.00 0.00 C ATOM 663 CD2 LEU A 46 -8.959 9.662 12.227 1.00 0.00 C ATOM 0 H LEU A 46 -5.784 9.807 10.857 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.950 7.911 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.470 10.805 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.451 10.119 8.844 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.732 11.021 10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.310 9.142 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.750 9.428 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.089 8.070 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.848 9.697 12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.529 8.661 12.262 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.228 10.384 12.591 1.00 0.00 H new ATOM 675 N ARG A 47 -5.595 8.636 8.199 1.00 0.00 N ATOM 676 CA ARG A 47 -5.009 8.265 6.923 1.00 0.00 C ATOM 677 C ARG A 47 -4.200 6.975 7.065 1.00 0.00 C ATOM 678 O ARG A 47 -3.148 6.826 6.445 1.00 0.00 O ATOM 679 CB ARG A 47 -4.099 9.374 6.392 1.00 0.00 C ATOM 680 CG ARG A 47 -4.888 10.662 6.147 1.00 0.00 C ATOM 681 CD ARG A 47 -4.395 11.789 7.056 1.00 0.00 C ATOM 682 NE ARG A 47 -4.348 13.062 6.304 1.00 0.00 N ATOM 683 CZ ARG A 47 -4.213 14.267 6.874 1.00 0.00 C ATOM 684 NH1 ARG A 47 -4.111 14.370 8.207 1.00 0.00 N ATOM 685 NH2 ARG A 47 -4.181 15.369 6.113 1.00 0.00 N ATOM 0 H ARG A 47 -5.008 9.235 8.780 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.824 8.110 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.298 9.565 7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.628 9.050 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.787 10.961 5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.948 10.483 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.057 11.889 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.405 11.549 7.442 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.423 13.020 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.136 13.531 8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.008 15.287 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.259 15.291 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.078 16.286 6.548 1.00 0.00 H new ATOM 699 N VAL A 48 -4.721 6.074 7.885 1.00 0.00 N ATOM 700 CA VAL A 48 -4.060 4.801 8.117 1.00 0.00 C ATOM 701 C VAL A 48 -3.761 4.135 6.772 1.00 0.00 C ATOM 702 O VAL A 48 -2.637 3.700 6.527 1.00 0.00 O ATOM 703 CB VAL A 48 -4.913 3.929 9.040 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.891 2.467 8.588 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.456 4.060 10.494 1.00 0.00 C ATOM 0 H VAL A 48 -5.594 6.201 8.397 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.107 4.952 8.624 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.942 4.283 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.505 1.869 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.286 2.393 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.866 2.096 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.079 3.430 11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.416 3.745 10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.547 5.099 10.812 1.00 0.00 H new ATOM 715 N PRO A 49 -4.814 4.074 5.914 1.00 0.00 N ATOM 716 CA PRO A 49 -4.675 3.468 4.601 1.00 0.00 C ATOM 717 C PRO A 49 -3.909 4.389 3.650 1.00 0.00 C ATOM 718 O PRO A 49 -4.499 4.990 2.753 1.00 0.00 O ATOM 719 CB PRO A 49 -6.098 3.191 4.143 1.00 0.00 C ATOM 720 CG PRO A 49 -6.991 4.070 5.004 1.00 0.00 C ATOM 721 CD PRO A 49 -6.160 4.578 6.170 1.00 0.00 C ATOM 0 HA PRO A 49 -4.091 2.548 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.221 3.426 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.350 2.138 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.381 4.904 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.850 3.504 5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.172 5.667 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.546 4.211 7.121 1.00 0.00 H new ATOM 729 N VAL A 50 -2.607 4.472 3.879 1.00 0.00 N ATOM 730 CA VAL A 50 -1.754 5.311 3.053 1.00 0.00 C ATOM 731 C VAL A 50 -0.722 4.435 2.340 1.00 0.00 C ATOM 732 O VAL A 50 -0.003 3.670 2.980 1.00 0.00 O ATOM 733 CB VAL A 50 -1.118 6.410 3.906 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.157 6.945 3.250 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.112 7.541 4.174 1.00 0.00 C ATOM 0 H VAL A 50 -2.122 3.973 4.624 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.341 5.814 2.284 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.843 5.972 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.589 7.725 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.875 6.133 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.084 7.358 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.634 8.309 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.433 7.976 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.979 7.146 4.704 1.00 0.00 H new ATOM 745 N LEU A 51 -0.683 4.577 1.023 1.00 0.00 N ATOM 746 CA LEU A 51 0.249 3.808 0.215 1.00 0.00 C ATOM 747 C LEU A 51 1.529 4.620 0.009 1.00 0.00 C ATOM 748 O LEU A 51 1.490 5.717 -0.546 1.00 0.00 O ATOM 749 CB LEU A 51 -0.413 3.363 -1.090 1.00 0.00 C ATOM 750 CG LEU A 51 -0.427 1.857 -1.356 1.00 0.00 C ATOM 751 CD1 LEU A 51 -1.431 1.503 -2.455 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.979 1.345 -1.678 1.00 0.00 C ATOM 0 H LEU A 51 -1.281 5.213 0.495 1.00 0.00 H new ATOM 0 HA LEU A 51 0.532 2.890 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.442 3.722 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.098 3.853 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.754 1.352 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.421 0.426 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.430 1.813 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.158 2.018 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.942 0.271 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.357 1.853 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.641 1.545 -0.835 1.00 0.00 H new ATOM 764 N ARG A 52 2.634 4.050 0.468 1.00 0.00 N ATOM 765 CA ARG A 52 3.924 4.708 0.341 1.00 0.00 C ATOM 766 C ARG A 52 4.844 3.899 -0.575 1.00 0.00 C ATOM 767 O ARG A 52 4.730 2.677 -0.653 1.00 0.00 O ATOM 768 CB ARG A 52 4.593 4.875 1.707 1.00 0.00 C ATOM 769 CG ARG A 52 5.777 5.841 1.623 1.00 0.00 C ATOM 770 CD ARG A 52 6.703 5.680 2.829 1.00 0.00 C ATOM 771 NE ARG A 52 7.997 6.349 2.567 1.00 0.00 N ATOM 772 CZ ARG A 52 8.189 7.672 2.656 1.00 0.00 C ATOM 773 NH1 ARG A 52 7.174 8.476 3.000 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.397 8.192 2.400 1.00 0.00 N ATOM 0 H ARG A 52 2.663 3.140 0.928 1.00 0.00 H new ATOM 0 HA ARG A 52 3.753 5.694 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.866 5.247 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.935 3.906 2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.335 5.659 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.411 6.867 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.236 6.108 3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.866 4.622 3.034 1.00 0.00 H new ATOM 0 HE ARG A 52 8.792 5.767 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.254 8.081 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.321 9.483 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.170 7.581 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.543 9.199 2.468 1.00 0.00 H new ATOM 788 N ASP A 53 5.736 4.614 -1.245 1.00 0.00 N ATOM 789 CA ASP A 53 6.675 3.977 -2.153 1.00 0.00 C ATOM 790 C ASP A 53 8.100 4.192 -1.638 1.00 0.00 C ATOM 791 O ASP A 53 8.334 5.050 -0.788 1.00 0.00 O ATOM 792 CB ASP A 53 6.582 4.583 -3.555 1.00 0.00 C ATOM 793 CG ASP A 53 6.103 6.035 -3.602 1.00 0.00 C ATOM 794 OD1 ASP A 53 4.882 6.235 -3.428 1.00 0.00 O ATOM 795 OD2 ASP A 53 6.969 6.912 -3.810 1.00 0.00 O ATOM 0 H ASP A 53 5.828 5.628 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 53 6.431 2.916 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.564 4.525 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.905 3.973 -4.154 1.00 0.00 H new ATOM 800 N PRO A 54 9.039 3.378 -2.190 1.00 0.00 N ATOM 801 CA PRO A 54 10.435 3.470 -1.796 1.00 0.00 C ATOM 802 C PRO A 54 11.097 4.706 -2.409 1.00 0.00 C ATOM 803 O PRO A 54 12.116 5.180 -1.910 1.00 0.00 O ATOM 804 CB PRO A 54 11.062 2.167 -2.262 1.00 0.00 C ATOM 805 CG PRO A 54 10.114 1.597 -3.304 1.00 0.00 C ATOM 806 CD PRO A 54 8.798 2.351 -3.199 1.00 0.00 C ATOM 0 HA PRO A 54 10.562 3.594 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.051 2.340 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.189 1.475 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.536 1.704 -4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.958 0.531 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.518 2.793 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.984 1.689 -2.903 1.00 0.00 H new ATOM 814 N MET A 55 10.490 5.192 -3.481 1.00 0.00 N ATOM 815 CA MET A 55 11.007 6.364 -4.167 1.00 0.00 C ATOM 816 C MET A 55 10.934 7.601 -3.271 1.00 0.00 C ATOM 817 O MET A 55 11.858 8.414 -3.252 1.00 0.00 O ATOM 818 CB MET A 55 10.198 6.608 -5.443 1.00 0.00 C ATOM 819 CG MET A 55 10.977 6.161 -6.681 1.00 0.00 C ATOM 820 SD MET A 55 10.441 7.089 -8.108 1.00 0.00 S ATOM 821 CE MET A 55 11.995 7.805 -8.614 1.00 0.00 C ATOM 0 H MET A 55 9.645 4.796 -3.892 1.00 0.00 H new ATOM 0 HA MET A 55 12.052 6.183 -4.418 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.254 6.066 -5.388 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.954 7.667 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 55 12.045 6.308 -6.521 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.824 5.095 -6.852 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.841 8.421 -9.500 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.391 8.422 -7.808 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.704 7.010 -8.844 1.00 0.00 H new ATOM 831 N GLY A 56 9.827 7.706 -2.550 1.00 0.00 N ATOM 832 CA GLY A 56 9.621 8.831 -1.654 1.00 0.00 C ATOM 833 C GLY A 56 8.325 9.570 -1.991 1.00 0.00 C ATOM 834 O GLY A 56 8.305 10.799 -2.056 1.00 0.00 O ATOM 0 H GLY A 56 9.063 7.030 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.585 8.478 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.465 9.517 -1.726 1.00 0.00 H new ATOM 838 N ARG A 57 7.273 8.791 -2.196 1.00 0.00 N ATOM 839 CA ARG A 57 5.975 9.356 -2.524 1.00 0.00 C ATOM 840 C ARG A 57 4.860 8.550 -1.855 1.00 0.00 C ATOM 841 O ARG A 57 5.095 7.445 -1.369 1.00 0.00 O ATOM 842 CB ARG A 57 5.748 9.371 -4.037 1.00 0.00 C ATOM 843 CG ARG A 57 7.017 9.795 -4.779 1.00 0.00 C ATOM 844 CD ARG A 57 6.675 10.576 -6.049 1.00 0.00 C ATOM 845 NE ARG A 57 6.289 11.962 -5.703 1.00 0.00 N ATOM 846 CZ ARG A 57 5.699 12.813 -6.553 1.00 0.00 C ATOM 847 NH1 ARG A 57 5.422 12.424 -7.805 1.00 0.00 N ATOM 848 NH2 ARG A 57 5.385 14.052 -6.151 1.00 0.00 N ATOM 0 H ARG A 57 7.293 7.773 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 57 5.957 10.382 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.441 8.380 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.935 10.056 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.636 10.410 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.603 8.913 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.533 10.586 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.860 10.084 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 57 6.485 12.290 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.660 11.480 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.973 13.071 -8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.595 14.347 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.936 14.700 -6.798 1.00 0.00 H new ATOM 862 N GLU A 58 3.671 9.134 -1.852 1.00 0.00 N ATOM 863 CA GLU A 58 2.519 8.484 -1.251 1.00 0.00 C ATOM 864 C GLU A 58 1.293 8.636 -2.153 1.00 0.00 C ATOM 865 O GLU A 58 1.271 9.491 -3.038 1.00 0.00 O ATOM 866 CB GLU A 58 2.244 9.040 0.147 1.00 0.00 C ATOM 867 CG GLU A 58 3.303 8.567 1.144 1.00 0.00 C ATOM 868 CD GLU A 58 2.709 8.415 2.546 1.00 0.00 C ATOM 869 OE1 GLU A 58 1.943 9.322 2.939 1.00 0.00 O ATOM 870 OE2 GLU A 58 3.032 7.395 3.192 1.00 0.00 O ATOM 0 H GLU A 58 3.480 10.051 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 58 2.739 7.422 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.232 10.129 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.257 8.721 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.717 7.614 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.127 9.280 1.170 1.00 0.00 H new ATOM 877 N LEU A 59 0.303 7.794 -1.898 1.00 0.00 N ATOM 878 CA LEU A 59 -0.924 7.824 -2.676 1.00 0.00 C ATOM 879 C LEU A 59 -2.116 8.006 -1.734 1.00 0.00 C ATOM 880 O LEU A 59 -2.122 7.475 -0.625 1.00 0.00 O ATOM 881 CB LEU A 59 -1.026 6.582 -3.564 1.00 0.00 C ATOM 882 CG LEU A 59 -2.149 6.591 -4.603 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.087 7.852 -5.467 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.124 5.316 -5.448 1.00 0.00 C ATOM 0 H LEU A 59 0.325 7.087 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.922 8.675 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.077 6.453 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.158 5.711 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.102 6.609 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.896 7.833 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.191 8.733 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.130 7.890 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.932 5.348 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.168 5.242 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.253 4.448 -4.801 1.00 0.00 H new ATOM 896 N ASP A 60 -3.097 8.758 -2.211 1.00 0.00 N ATOM 897 CA ASP A 60 -4.292 9.016 -1.426 1.00 0.00 C ATOM 898 C ASP A 60 -4.963 7.687 -1.074 1.00 0.00 C ATOM 899 O ASP A 60 -4.875 6.723 -1.833 1.00 0.00 O ATOM 900 CB ASP A 60 -5.297 9.860 -2.213 1.00 0.00 C ATOM 901 CG ASP A 60 -5.665 11.197 -1.567 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.772 11.774 -0.909 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.830 11.612 -1.746 1.00 0.00 O ATOM 0 H ASP A 60 -3.089 9.197 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.994 9.556 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.888 10.053 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.208 9.278 -2.351 1.00 0.00 H new ATOM 908 N TRP A 61 -5.618 7.679 0.078 1.00 0.00 N ATOM 909 CA TRP A 61 -6.304 6.484 0.540 1.00 0.00 C ATOM 910 C TRP A 61 -7.326 6.083 -0.526 1.00 0.00 C ATOM 911 O TRP A 61 -7.329 4.945 -0.991 1.00 0.00 O ATOM 912 CB TRP A 61 -6.933 6.710 1.916 1.00 0.00 C ATOM 913 CG TRP A 61 -8.347 6.143 2.055 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.440 6.758 2.525 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.779 4.812 1.698 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.540 5.925 2.498 1.00 0.00 N ATOM 917 CE2 TRP A 61 -10.125 4.705 1.979 1.00 0.00 C ATOM 918 CE3 TRP A 61 -8.055 3.736 1.155 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.865 3.538 1.751 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.809 2.577 0.934 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.165 2.453 1.211 1.00 0.00 C ATOM 0 H TRP A 61 -5.688 8.481 0.705 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.600 5.663 0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.295 6.257 2.675 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.960 7.780 2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.458 7.778 2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.484 6.162 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -7.001 3.798 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.919 3.479 1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.301 1.719 0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.677 1.523 1.010 1.00 0.00 H new ATOM 932 N PRO A 62 -8.191 7.067 -0.891 1.00 0.00 N ATOM 933 CA PRO A 62 -9.215 6.829 -1.894 1.00 0.00 C ATOM 934 C PRO A 62 -8.610 6.792 -3.299 1.00 0.00 C ATOM 935 O PRO A 62 -8.147 7.812 -3.806 1.00 0.00 O ATOM 936 CB PRO A 62 -10.217 7.957 -1.708 1.00 0.00 C ATOM 937 CG PRO A 62 -9.487 9.038 -0.929 1.00 0.00 C ATOM 938 CD PRO A 62 -8.216 8.427 -0.362 1.00 0.00 C ATOM 0 HA PRO A 62 -9.700 5.860 -1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.563 8.335 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.097 7.612 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.249 9.881 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.117 9.422 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.334 8.989 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.228 8.428 0.728 1.00 0.00 H new ATOM 946 N PHE A 63 -8.633 5.605 -3.887 1.00 0.00 N ATOM 947 CA PHE A 63 -8.092 5.422 -5.223 1.00 0.00 C ATOM 948 C PHE A 63 -8.815 4.291 -5.957 1.00 0.00 C ATOM 949 O PHE A 63 -9.805 3.756 -5.459 1.00 0.00 O ATOM 950 CB PHE A 63 -6.617 5.047 -5.061 1.00 0.00 C ATOM 951 CG PHE A 63 -6.311 4.263 -3.784 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.180 3.313 -3.344 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.170 4.516 -3.088 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.895 2.585 -2.159 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.886 3.788 -1.902 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.754 2.838 -1.463 1.00 0.00 C ATOM 0 H PHE A 63 -9.018 4.761 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.218 6.336 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.307 4.455 -5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.018 5.958 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.086 3.113 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.480 5.270 -3.437 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.584 1.830 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.980 3.989 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.538 2.284 -0.561 1.00 0.00 H new ATOM 966 N ASP A 64 -8.293 3.959 -7.129 1.00 0.00 N ATOM 967 CA ASP A 64 -8.877 2.902 -7.936 1.00 0.00 C ATOM 968 C ASP A 64 -7.790 1.889 -8.305 1.00 0.00 C ATOM 969 O ASP A 64 -6.666 1.973 -7.813 1.00 0.00 O ATOM 970 CB ASP A 64 -9.464 3.460 -9.234 1.00 0.00 C ATOM 971 CG ASP A 64 -10.326 4.712 -9.067 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.817 4.918 -7.936 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.475 5.437 -10.075 1.00 0.00 O ATOM 0 H ASP A 64 -7.472 4.404 -7.539 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.671 2.433 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.645 3.689 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.065 2.683 -9.707 1.00 0.00 H new ATOM 978 N ALA A 65 -8.165 0.956 -9.169 1.00 0.00 N ATOM 979 CA ALA A 65 -7.236 -0.071 -9.609 1.00 0.00 C ATOM 980 C ALA A 65 -6.277 0.524 -10.643 1.00 0.00 C ATOM 981 O ALA A 65 -5.062 0.370 -10.529 1.00 0.00 O ATOM 982 CB ALA A 65 -8.019 -1.264 -10.160 1.00 0.00 C ATOM 0 H ALA A 65 -9.098 0.890 -9.575 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.637 -0.431 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.323 -2.035 -10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.664 -1.668 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.629 -0.941 -11.003 1.00 0.00 H new ATOM 988 N PRO A 66 -6.875 1.209 -11.654 1.00 0.00 N ATOM 989 CA PRO A 66 -6.087 1.828 -12.707 1.00 0.00 C ATOM 990 C PRO A 66 -5.402 3.100 -12.203 1.00 0.00 C ATOM 991 O PRO A 66 -4.380 3.516 -12.747 1.00 0.00 O ATOM 992 CB PRO A 66 -7.074 2.091 -13.833 1.00 0.00 C ATOM 993 CG PRO A 66 -8.454 2.039 -13.199 1.00 0.00 C ATOM 994 CD PRO A 66 -8.311 1.413 -11.821 1.00 0.00 C ATOM 0 HA PRO A 66 -5.271 1.193 -13.051 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.892 3.062 -14.293 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.977 1.343 -14.620 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.876 3.041 -13.121 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.135 1.453 -13.816 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.711 2.067 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.855 0.471 -11.756 1.00 0.00 H new ATOM 1002 N ARG A 67 -5.992 3.683 -11.170 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.452 4.899 -10.587 1.00 0.00 C ATOM 1004 C ARG A 67 -4.282 4.568 -9.658 1.00 0.00 C ATOM 1005 O ARG A 67 -3.349 5.358 -9.522 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.522 5.655 -9.797 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.427 7.161 -10.048 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.816 7.803 -10.062 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.121 8.322 -11.414 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.018 9.284 -11.665 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.705 9.839 -10.657 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.229 9.692 -12.924 1.00 0.00 N ATOM 0 H ARG A 67 -6.840 3.335 -10.721 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.105 5.532 -11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.511 5.297 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.405 5.452 -8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.816 7.625 -9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.928 7.344 -11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.567 7.070 -9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.858 8.614 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.616 7.922 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.545 9.529 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.388 10.572 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.706 9.270 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.912 10.425 -13.115 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.369 3.397 -9.043 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.329 2.952 -8.131 1.00 0.00 C ATOM 1028 C LEU A 68 -2.150 2.403 -8.938 1.00 0.00 C ATOM 1029 O LEU A 68 -0.994 2.611 -8.574 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.896 1.957 -7.117 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.975 1.587 -5.953 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.529 2.110 -4.626 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.721 0.078 -5.913 1.00 0.00 C ATOM 0 H LEU A 68 -5.143 2.743 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.952 3.790 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.817 2.371 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.165 1.043 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.012 2.072 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.855 1.833 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.616 3.196 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.512 1.675 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.063 -0.158 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.668 -0.447 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.250 -0.237 -6.844 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.484 1.712 -10.018 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.468 1.132 -10.879 1.00 0.00 C ATOM 1047 C ARG A 69 -0.696 2.235 -11.607 1.00 0.00 C ATOM 1048 O ARG A 69 0.534 2.246 -11.599 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.092 0.190 -11.910 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.024 -0.391 -12.840 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.764 -1.865 -12.523 1.00 0.00 C ATOM 1052 NE ARG A 69 0.321 -2.384 -13.385 1.00 0.00 N ATOM 1053 CZ ARG A 69 1.623 -2.150 -13.177 1.00 0.00 C ATOM 1054 NH1 ARG A 69 2.011 -1.403 -12.134 1.00 0.00 N ATOM 1055 NH2 ARG A 69 2.538 -2.662 -14.011 1.00 0.00 N ATOM 0 H ARG A 69 -3.444 1.541 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.786 0.562 -10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.614 -0.619 -11.399 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.836 0.729 -12.497 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.345 -0.289 -13.877 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.099 0.176 -12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.491 -1.977 -11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.673 -2.445 -12.680 1.00 0.00 H new ATOM 0 HE ARG A 69 0.061 -2.956 -14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.315 -1.013 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.003 -1.225 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.243 -3.230 -14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.530 -2.483 -13.852 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.451 3.135 -12.219 1.00 0.00 N ATOM 1070 CA ALA A 70 -0.853 4.239 -12.951 1.00 0.00 C ATOM 1071 C ALA A 70 0.098 5.002 -12.027 1.00 0.00 C ATOM 1072 O ALA A 70 1.104 5.548 -12.479 1.00 0.00 O ATOM 1073 CB ALA A 70 -1.958 5.134 -13.517 1.00 0.00 C ATOM 0 H ALA A 70 -2.471 3.123 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.269 3.869 -13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.510 5.962 -14.066 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.589 4.552 -14.189 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.563 5.526 -12.700 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.253 5.015 -10.749 1.00 0.00 N ATOM 1080 CA TRP A 71 0.557 5.702 -9.757 1.00 0.00 C ATOM 1081 C TRP A 71 1.800 4.850 -9.489 1.00 0.00 C ATOM 1082 O TRP A 71 2.886 5.382 -9.267 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.253 5.991 -8.492 1.00 0.00 C ATOM 1084 CG TRP A 71 0.555 6.650 -7.373 1.00 0.00 C ATOM 1085 CD1 TRP A 71 0.829 7.951 -7.208 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.187 5.981 -6.261 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.588 8.169 -6.076 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.813 6.933 -5.482 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.229 4.616 -5.925 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.526 6.623 -4.318 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.946 4.323 -4.758 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.581 5.270 -3.963 1.00 0.00 C ATOM 0 H TRP A 71 -1.087 4.561 -10.378 1.00 0.00 H new ATOM 0 HA TRP A 71 0.876 6.676 -10.127 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.092 6.638 -8.750 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.673 5.056 -8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.498 8.731 -7.877 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.922 9.071 -5.738 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.747 3.854 -6.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.008 7.387 -3.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.010 3.288 -4.455 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.114 4.963 -3.075 1.00 0.00 H new ATOM 1103 N LEU A 72 1.598 3.541 -9.520 1.00 0.00 N ATOM 1104 CA LEU A 72 2.688 2.610 -9.283 1.00 0.00 C ATOM 1105 C LEU A 72 3.708 2.726 -10.418 1.00 0.00 C ATOM 1106 O LEU A 72 4.901 2.891 -10.171 1.00 0.00 O ATOM 1107 CB LEU A 72 2.149 1.192 -9.084 1.00 0.00 C ATOM 1108 CG LEU A 72 1.367 0.947 -7.792 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.288 -0.118 -7.998 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.309 0.594 -6.640 1.00 0.00 C ATOM 0 H LEU A 72 0.696 3.103 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 72 3.208 2.861 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.503 0.948 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.989 0.498 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 72 0.858 1.872 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.253 -0.273 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.407 0.213 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.754 -1.054 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.728 0.425 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.865 -0.310 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.007 1.415 -6.476 1.00 0.00 H new ATOM 1122 N ASP A 73 3.200 2.635 -11.639 1.00 0.00 N ATOM 1123 CA ASP A 73 4.052 2.728 -12.812 1.00 0.00 C ATOM 1124 C ASP A 73 4.906 3.994 -12.718 1.00 0.00 C ATOM 1125 O ASP A 73 6.027 4.029 -13.223 1.00 0.00 O ATOM 1126 CB ASP A 73 3.218 2.814 -14.092 1.00 0.00 C ATOM 1127 CG ASP A 73 3.867 2.192 -15.330 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.763 2.855 -15.896 1.00 0.00 O ATOM 1129 OD2 ASP A 73 3.453 1.066 -15.682 1.00 0.00 O ATOM 0 H ASP A 73 2.210 2.498 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 73 4.676 1.835 -12.847 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.260 2.324 -13.917 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.006 3.863 -14.300 1.00 0.00 H new ATOM 1134 N ALA A 74 4.344 5.002 -12.068 1.00 0.00 N ATOM 1135 CA ALA A 74 5.040 6.266 -11.901 1.00 0.00 C ATOM 1136 C ALA A 74 6.426 6.006 -11.307 1.00 0.00 C ATOM 1137 O ALA A 74 7.349 6.794 -11.506 1.00 0.00 O ATOM 1138 CB ALA A 74 4.199 7.202 -11.030 1.00 0.00 C ATOM 0 H ALA A 74 3.414 4.969 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 74 5.181 6.756 -12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.722 8.150 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.236 7.379 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.039 6.745 -10.054 1.00 0.00 H new ATOM 1144 N ALA A 75 6.528 4.897 -10.589 1.00 0.00 N ATOM 1145 CA ALA A 75 7.785 4.523 -9.964 1.00 0.00 C ATOM 1146 C ALA A 75 8.152 3.097 -10.381 1.00 0.00 C ATOM 1147 O ALA A 75 7.317 2.367 -10.912 1.00 0.00 O ATOM 1148 CB ALA A 75 7.667 4.674 -8.446 1.00 0.00 C ATOM 0 H ALA A 75 5.760 4.245 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 75 8.588 5.181 -10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.611 4.393 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.434 5.710 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.872 4.026 -8.077 1.00 0.00 H new ATOM 1154 N PRO A 76 9.436 2.733 -10.117 1.00 0.00 N ATOM 1155 CA PRO A 76 9.924 1.408 -10.459 1.00 0.00 C ATOM 1156 C PRO A 76 9.390 0.358 -9.482 1.00 0.00 C ATOM 1157 O PRO A 76 8.676 0.691 -8.537 1.00 0.00 O ATOM 1158 CB PRO A 76 11.439 1.528 -10.432 1.00 0.00 C ATOM 1159 CG PRO A 76 11.744 2.781 -9.627 1.00 0.00 C ATOM 1160 CD PRO A 76 10.453 3.571 -9.489 1.00 0.00 C ATOM 0 HA PRO A 76 9.581 1.073 -11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.892 0.649 -9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.843 1.605 -11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.137 2.518 -8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.506 3.379 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.217 3.763 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.527 4.540 -9.982 1.00 0.00 H new ATOM 1168 N HIS A 77 9.756 -0.888 -9.744 1.00 0.00 N ATOM 1169 CA HIS A 77 9.323 -1.988 -8.900 1.00 0.00 C ATOM 1170 C HIS A 77 10.489 -2.953 -8.675 1.00 0.00 C ATOM 1171 O HIS A 77 11.573 -2.760 -9.223 1.00 0.00 O ATOM 1172 CB HIS A 77 8.091 -2.675 -9.493 1.00 0.00 C ATOM 1173 CG HIS A 77 8.170 -2.897 -10.984 1.00 0.00 C ATOM 1174 ND1 HIS A 77 8.322 -4.151 -11.549 1.00 0.00 N ATOM 1175 CD2 HIS A 77 8.115 -2.012 -12.021 1.00 0.00 C ATOM 1176 CE1 HIS A 77 8.357 -4.016 -12.866 1.00 0.00 C ATOM 1177 NE2 HIS A 77 8.229 -2.689 -13.157 1.00 0.00 N ATOM 0 H HIS A 77 10.348 -1.160 -10.529 1.00 0.00 H new ATOM 0 HA HIS A 77 9.020 -1.606 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.951 -3.637 -9.000 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.210 -2.072 -9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.998 -0.942 -11.933 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.467 -4.816 -13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.222 -2.284 -14.093 1.00 0.00 H new ATOM 1185 N ALA A 78 10.226 -3.970 -7.868 1.00 0.00 N ATOM 1186 CA ALA A 78 11.240 -4.965 -7.564 1.00 0.00 C ATOM 1187 C ALA A 78 10.576 -6.182 -6.915 1.00 0.00 C ATOM 1188 O ALA A 78 10.713 -6.400 -5.712 1.00 0.00 O ATOM 1189 CB ALA A 78 12.315 -4.343 -6.672 1.00 0.00 C ATOM 0 H ALA A 78 9.325 -4.126 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 78 11.730 -5.304 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.076 -5.090 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.776 -3.502 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.861 -3.993 -5.745 1.00 0.00 H new TER 1195 ALA A 78