USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=10 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 -98:sc= 0.432 USER MOD Set 1.2: A 56 MET CE :methyl -152:sc= -0.632 (180deg=-1.49) USER MOD Set 2.1: A 7 SER OG : rot -121:sc= 0.351 USER MOD Set 2.2: A 36 ASN : amide:sc= 0.308 K(o=0.66,f=-0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -1.01 (180deg=-1.01) USER MOD Single : A 3 HIS : no HD1:sc= -0.0605 X(o=-0.06,f=-0.43) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00839 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=0.68) USER MOD Single : A 10 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.0037) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.82) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-14!) 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= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -5.23 K(o=-5.2,f=-12!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.11) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.436 -7.711 -0.251 1.00 1.22 N ATOM 2 CA MET A 1 -10.162 -9.105 0.202 1.00 1.35 C ATOM 3 C MET A 1 -8.650 -9.385 0.185 1.00 1.37 C ATOM 4 O MET A 1 -8.046 -9.627 1.214 1.00 1.67 O ATOM 5 CB MET A 1 -10.898 -10.010 -0.796 1.00 1.66 C ATOM 6 CG MET A 1 -11.242 -11.335 -0.111 1.00 2.46 C ATOM 7 SD MET A 1 -12.586 -12.163 -0.998 1.00 2.93 S ATOM 8 CE MET A 1 -12.950 -13.415 0.258 1.00 4.23 C ATOM 0 H1 MET A 1 -11.461 -7.536 -0.235 1.00 1.22 H new ATOM 0 H2 MET A 1 -9.960 -7.040 0.384 1.00 1.22 H new ATOM 0 H3 MET A 1 -10.079 -7.584 -1.219 1.00 1.22 H new ATOM 0 HA MET A 1 -10.501 -9.278 1.223 1.00 1.35 H new ATOM 0 HB2 MET A 1 -11.807 -9.521 -1.147 1.00 1.66 H new ATOM 0 HB3 MET A 1 -10.274 -10.190 -1.671 1.00 1.66 H new ATOM 0 HG2 MET A 1 -10.363 -11.979 -0.084 1.00 2.46 H new ATOM 0 HG3 MET A 1 -11.536 -11.153 0.923 1.00 2.46 H new ATOM 0 HE1 MET A 1 -13.766 -14.050 -0.087 1.00 4.23 H new ATOM 0 HE2 MET A 1 -12.063 -14.025 0.431 1.00 4.23 H new ATOM 0 HE3 MET A 1 -13.240 -12.925 1.187 1.00 4.23 H new ATOM 17 N ASP A 2 -8.036 -9.358 -0.976 1.00 1.32 N ATOM 18 CA ASP A 2 -6.565 -9.625 -1.064 1.00 1.65 C ATOM 19 C ASP A 2 -5.882 -8.574 -1.951 1.00 1.41 C ATOM 20 O ASP A 2 -4.971 -7.893 -1.522 1.00 1.65 O ATOM 21 CB ASP A 2 -6.454 -11.019 -1.686 1.00 2.06 C ATOM 22 CG ASP A 2 -6.528 -12.084 -0.588 1.00 2.63 C ATOM 23 OD1 ASP A 2 -5.487 -12.430 -0.054 1.00 3.09 O ATOM 24 OD2 ASP A 2 -7.625 -12.535 -0.301 1.00 2.83 O ATOM 0 H ASP A 2 -8.492 -9.162 -1.867 1.00 1.32 H new ATOM 0 HA ASP A 2 -6.076 -9.574 -0.091 1.00 1.65 H new ATOM 0 HB2 ASP A 2 -7.257 -11.171 -2.407 1.00 2.06 H new ATOM 0 HB3 ASP A 2 -5.515 -11.110 -2.231 1.00 2.06 H new ATOM 29 N HIS A 3 -6.314 -8.441 -3.183 1.00 1.15 N ATOM 30 CA HIS A 3 -5.691 -7.431 -4.102 1.00 1.20 C ATOM 31 C HIS A 3 -6.757 -6.545 -4.778 1.00 1.11 C ATOM 32 O HIS A 3 -6.442 -5.500 -5.314 1.00 1.31 O ATOM 33 CB HIS A 3 -4.925 -8.245 -5.157 1.00 1.50 C ATOM 34 CG HIS A 3 -5.881 -9.095 -5.954 1.00 1.53 C ATOM 35 ND1 HIS A 3 -6.474 -8.645 -7.124 1.00 1.74 N ATOM 36 CD2 HIS A 3 -6.363 -10.363 -5.753 1.00 1.65 C ATOM 37 CE1 HIS A 3 -7.272 -9.629 -7.577 1.00 1.92 C ATOM 38 NE2 HIS A 3 -7.241 -10.699 -6.778 1.00 1.87 N ATOM 0 H HIS A 3 -7.071 -8.988 -3.593 1.00 1.15 H new ATOM 0 HA HIS A 3 -5.037 -6.755 -3.551 1.00 1.20 H new ATOM 0 HB2 HIS A 3 -4.383 -7.573 -5.822 1.00 1.50 H new ATOM 0 HB3 HIS A 3 -4.183 -8.878 -4.670 1.00 1.50 H new ATOM 0 HD2 HIS A 3 -6.101 -11.004 -4.924 1.00 1.65 H new ATOM 0 HE1 HIS A 3 -7.865 -9.562 -8.477 1.00 1.92 H new ATOM 0 HE2 HIS A 3 -7.752 -11.574 -6.895 1.00 1.87 H new ATOM 46 N SER A 4 -8.007 -6.949 -4.771 1.00 1.19 N ATOM 47 CA SER A 4 -9.069 -6.120 -5.426 1.00 1.46 C ATOM 48 C SER A 4 -9.588 -5.041 -4.464 1.00 1.29 C ATOM 49 O SER A 4 -9.564 -3.868 -4.777 1.00 1.38 O ATOM 50 CB SER A 4 -10.186 -7.104 -5.790 1.00 1.82 C ATOM 51 OG SER A 4 -10.542 -7.869 -4.645 1.00 1.78 O ATOM 0 H SER A 4 -8.336 -7.814 -4.342 1.00 1.19 H new ATOM 0 HA SER A 4 -8.689 -5.596 -6.303 1.00 1.46 H new ATOM 0 HB2 SER A 4 -11.055 -6.561 -6.162 1.00 1.82 H new ATOM 0 HB3 SER A 4 -9.856 -7.764 -6.592 1.00 1.82 H new ATOM 0 HG SER A 4 -11.257 -8.496 -4.880 1.00 1.78 H new ATOM 57 N LEU A 5 -10.061 -5.429 -3.305 1.00 1.19 N ATOM 58 CA LEU A 5 -10.586 -4.422 -2.331 1.00 1.17 C ATOM 59 C LEU A 5 -9.504 -4.040 -1.315 1.00 0.89 C ATOM 60 O LEU A 5 -9.429 -2.907 -0.878 1.00 0.87 O ATOM 61 CB LEU A 5 -11.756 -5.117 -1.629 1.00 1.47 C ATOM 62 CG LEU A 5 -13.080 -4.731 -2.299 1.00 1.80 C ATOM 63 CD1 LEU A 5 -13.249 -3.208 -2.277 1.00 1.82 C ATOM 64 CD2 LEU A 5 -13.092 -5.229 -3.750 1.00 1.94 C ATOM 0 H LEU A 5 -10.106 -6.399 -2.992 1.00 1.19 H new ATOM 0 HA LEU A 5 -10.893 -3.500 -2.825 1.00 1.17 H new ATOM 0 HB2 LEU A 5 -11.622 -6.198 -1.667 1.00 1.47 H new ATOM 0 HB3 LEU A 5 -11.777 -4.835 -0.576 1.00 1.47 H new ATOM 0 HG LEU A 5 -13.903 -5.192 -1.753 1.00 1.80 H new ATOM 0 HD11 LEU A 5 -14.191 -2.940 -2.754 1.00 1.82 H new ATOM 0 HD12 LEU A 5 -13.252 -2.857 -1.245 1.00 1.82 H new ATOM 0 HD13 LEU A 5 -12.424 -2.743 -2.816 1.00 1.82 H new ATOM 0 HD21 LEU A 5 -14.035 -4.952 -4.222 1.00 1.94 H new ATOM 0 HD22 LEU A 5 -12.266 -4.775 -4.297 1.00 1.94 H new ATOM 0 HD23 LEU A 5 -12.984 -6.314 -3.763 1.00 1.94 H new ATOM 76 N ASN A 6 -8.667 -4.977 -0.938 1.00 0.84 N ATOM 77 CA ASN A 6 -7.586 -4.672 0.049 1.00 0.81 C ATOM 78 C ASN A 6 -6.600 -3.660 -0.543 1.00 0.61 C ATOM 79 O ASN A 6 -6.252 -2.683 0.093 1.00 0.72 O ATOM 80 CB ASN A 6 -6.891 -6.010 0.314 1.00 0.98 C ATOM 81 CG ASN A 6 -6.465 -6.080 1.781 1.00 1.26 C ATOM 82 OD1 ASN A 6 -5.429 -5.562 2.147 1.00 1.66 O ATOM 83 ND2 ASN A 6 -7.226 -6.703 2.642 1.00 1.64 N ATOM 0 H ASN A 6 -8.687 -5.940 -1.272 1.00 0.84 H new ATOM 0 HA ASN A 6 -7.979 -4.234 0.966 1.00 0.81 H new ATOM 0 HB2 ASN A 6 -7.564 -6.835 0.080 1.00 0.98 H new ATOM 0 HB3 ASN A 6 -6.021 -6.115 -0.334 1.00 0.98 H new ATOM 0 HD21 ASN A 6 -6.950 -6.755 3.623 1.00 1.64 H new ATOM 0 HD22 ASN A 6 -8.096 -7.137 2.333 1.00 1.64 H new ATOM 90 N SER A 7 -6.157 -3.878 -1.759 1.00 0.55 N ATOM 91 CA SER A 7 -5.202 -2.917 -2.394 1.00 0.68 C ATOM 92 C SER A 7 -5.913 -1.591 -2.697 1.00 0.65 C ATOM 93 O SER A 7 -5.320 -0.537 -2.618 1.00 0.77 O ATOM 94 CB SER A 7 -4.745 -3.589 -3.691 1.00 0.89 C ATOM 95 OG SER A 7 -3.506 -3.025 -4.103 1.00 1.23 O ATOM 0 H SER A 7 -6.415 -4.678 -2.337 1.00 0.55 H new ATOM 0 HA SER A 7 -4.359 -2.689 -1.742 1.00 0.68 H new ATOM 0 HB2 SER A 7 -4.636 -4.663 -3.539 1.00 0.89 H new ATOM 0 HB3 SER A 7 -5.496 -3.452 -4.469 1.00 0.89 H new ATOM 0 HG SER A 7 -3.604 -2.639 -4.998 1.00 1.23 H new ATOM 101 N LEU A 8 -7.181 -1.641 -3.037 1.00 0.62 N ATOM 102 CA LEU A 8 -7.939 -0.384 -3.341 1.00 0.69 C ATOM 103 C LEU A 8 -7.991 0.528 -2.109 1.00 0.57 C ATOM 104 O LEU A 8 -7.672 1.700 -2.187 1.00 0.61 O ATOM 105 CB LEU A 8 -9.352 -0.847 -3.724 1.00 0.80 C ATOM 106 CG LEU A 8 -9.704 -0.351 -5.131 1.00 0.96 C ATOM 107 CD1 LEU A 8 -9.666 1.182 -5.162 1.00 1.06 C ATOM 108 CD2 LEU A 8 -8.698 -0.912 -6.141 1.00 1.18 C ATOM 0 H LEU A 8 -7.724 -2.501 -3.117 1.00 0.62 H new ATOM 0 HA LEU A 8 -7.467 0.190 -4.138 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -9.409 -1.935 -3.688 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -10.076 -0.466 -3.004 1.00 0.80 H new ATOM 0 HG LEU A 8 -10.706 -0.692 -5.393 1.00 0.96 H new ATOM 0 HD11 LEU A 8 -9.917 1.532 -6.163 1.00 1.06 H new ATOM 0 HD12 LEU A 8 -10.388 1.578 -4.448 1.00 1.06 H new ATOM 0 HD13 LEU A 8 -8.667 1.527 -4.897 1.00 1.06 H new ATOM 0 HD21 LEU A 8 -8.950 -0.558 -7.141 1.00 1.18 H new ATOM 0 HD22 LEU A 8 -7.694 -0.576 -5.880 1.00 1.18 H new ATOM 0 HD23 LEU A 8 -8.733 -2.001 -6.122 1.00 1.18 H new ATOM 120 N ASN A 9 -8.389 -0.002 -0.976 1.00 0.54 N ATOM 121 CA ASN A 9 -8.461 0.832 0.267 1.00 0.56 C ATOM 122 C ASN A 9 -7.063 1.332 0.651 1.00 0.52 C ATOM 123 O ASN A 9 -6.884 2.485 0.995 1.00 0.57 O ATOM 124 CB ASN A 9 -9.014 -0.102 1.349 1.00 0.70 C ATOM 125 CG ASN A 9 -10.542 -0.130 1.270 1.00 0.86 C ATOM 126 OD1 ASN A 9 -11.110 -0.965 0.594 1.00 0.98 O ATOM 127 ND2 ASN A 9 -11.236 0.755 1.933 1.00 1.22 N ATOM 0 H ASN A 9 -8.667 -0.976 -0.858 1.00 0.54 H new ATOM 0 HA ASN A 9 -9.089 1.713 0.134 1.00 0.56 H new ATOM 0 HB2 ASN A 9 -8.614 -1.107 1.215 1.00 0.70 H new ATOM 0 HB3 ASN A 9 -8.697 0.239 2.335 1.00 0.70 H new ATOM 0 HD21 ASN A 9 -12.255 0.745 1.884 1.00 1.22 H new ATOM 0 HD22 ASN A 9 -10.759 1.456 2.500 1.00 1.22 H new ATOM 134 N ASN A 10 -6.073 0.472 0.588 1.00 0.56 N ATOM 135 CA ASN A 10 -4.683 0.894 0.940 1.00 0.68 C ATOM 136 C ASN A 10 -4.185 1.947 -0.058 1.00 0.71 C ATOM 137 O ASN A 10 -3.640 2.961 0.324 1.00 0.80 O ATOM 138 CB ASN A 10 -3.839 -0.383 0.847 1.00 0.79 C ATOM 139 CG ASN A 10 -2.369 -0.057 1.131 1.00 0.96 C ATOM 140 OD1 ASN A 10 -1.938 -0.083 2.267 1.00 1.09 O ATOM 141 ND2 ASN A 10 -1.576 0.251 0.139 1.00 1.06 N ATOM 0 H ASN A 10 -6.170 -0.504 0.308 1.00 0.56 H new ATOM 0 HA ASN A 10 -4.625 1.343 1.932 1.00 0.68 H new ATOM 0 HB2 ASN A 10 -4.201 -1.122 1.562 1.00 0.79 H new ATOM 0 HB3 ASN A 10 -3.938 -0.824 -0.145 1.00 0.79 H new ATOM 0 HD21 ASN A 10 -0.596 0.469 0.318 1.00 1.06 H new ATOM 0 HD22 ASN A 10 -1.937 0.273 -0.815 1.00 1.06 H new ATOM 148 N PHE A 11 -4.376 1.707 -1.333 1.00 0.68 N ATOM 149 CA PHE A 11 -3.922 2.683 -2.375 1.00 0.79 C ATOM 150 C PHE A 11 -4.575 4.058 -2.162 1.00 0.67 C ATOM 151 O PHE A 11 -3.963 5.076 -2.395 1.00 0.72 O ATOM 152 CB PHE A 11 -4.377 2.077 -3.708 1.00 0.93 C ATOM 153 CG PHE A 11 -3.500 2.551 -4.852 1.00 0.84 C ATOM 154 CD1 PHE A 11 -2.683 3.685 -4.713 1.00 1.31 C ATOM 155 CD2 PHE A 11 -3.512 1.849 -6.063 1.00 0.88 C ATOM 156 CE1 PHE A 11 -1.886 4.110 -5.781 1.00 1.34 C ATOM 157 CE2 PHE A 11 -2.715 2.275 -7.129 1.00 1.22 C ATOM 158 CZ PHE A 11 -1.902 3.405 -6.989 1.00 1.23 C ATOM 0 H PHE A 11 -4.830 0.871 -1.700 1.00 0.68 H new ATOM 0 HA PHE A 11 -2.844 2.843 -2.338 1.00 0.79 H new ATOM 0 HB2 PHE A 11 -4.343 0.989 -3.647 1.00 0.93 H new ATOM 0 HB3 PHE A 11 -5.413 2.353 -3.902 1.00 0.93 H new ATOM 0 HD1 PHE A 11 -2.670 4.229 -3.780 1.00 1.31 H new ATOM 0 HD2 PHE A 11 -4.139 0.976 -6.174 1.00 0.88 H new ATOM 0 HE1 PHE A 11 -1.258 4.982 -5.673 1.00 1.34 H new ATOM 0 HE2 PHE A 11 -2.727 1.731 -8.062 1.00 1.22 H new ATOM 0 HZ PHE A 11 -1.287 3.733 -7.814 1.00 1.23 H new ATOM 168 N ASP A 12 -5.812 4.098 -1.732 1.00 0.61 N ATOM 169 CA ASP A 12 -6.491 5.418 -1.521 1.00 0.57 C ATOM 170 C ASP A 12 -5.798 6.222 -0.410 1.00 0.45 C ATOM 171 O ASP A 12 -5.301 7.314 -0.640 1.00 0.43 O ATOM 172 CB ASP A 12 -7.930 5.073 -1.122 1.00 0.63 C ATOM 173 CG ASP A 12 -8.851 5.252 -2.331 1.00 0.76 C ATOM 174 OD1 ASP A 12 -9.018 4.295 -3.071 1.00 0.91 O ATOM 175 OD2 ASP A 12 -9.372 6.342 -2.497 1.00 1.21 O ATOM 0 H ASP A 12 -6.380 3.279 -1.518 1.00 0.61 H new ATOM 0 HA ASP A 12 -6.454 6.037 -2.417 1.00 0.57 H new ATOM 0 HB2 ASP A 12 -7.982 4.046 -0.760 1.00 0.63 H new ATOM 0 HB3 ASP A 12 -8.256 5.716 -0.304 1.00 0.63 H new ATOM 180 N PHE A 13 -5.763 5.697 0.793 1.00 0.43 N ATOM 181 CA PHE A 13 -5.109 6.438 1.916 1.00 0.38 C ATOM 182 C PHE A 13 -3.600 6.592 1.658 1.00 0.34 C ATOM 183 O PHE A 13 -3.002 7.586 2.032 1.00 0.32 O ATOM 184 CB PHE A 13 -5.424 5.613 3.184 1.00 0.46 C ATOM 185 CG PHE A 13 -4.206 4.886 3.717 1.00 0.41 C ATOM 186 CD1 PHE A 13 -3.271 5.565 4.511 1.00 0.45 C ATOM 187 CD2 PHE A 13 -4.031 3.523 3.446 1.00 0.45 C ATOM 188 CE1 PHE A 13 -2.165 4.883 5.030 1.00 0.47 C ATOM 189 CE2 PHE A 13 -2.923 2.842 3.961 1.00 0.47 C ATOM 190 CZ PHE A 13 -1.992 3.521 4.755 1.00 0.46 C ATOM 0 H PHE A 13 -6.158 4.791 1.044 1.00 0.43 H new ATOM 0 HA PHE A 13 -5.481 7.457 2.023 1.00 0.38 H new ATOM 0 HB2 PHE A 13 -5.816 6.275 3.957 1.00 0.46 H new ATOM 0 HB3 PHE A 13 -6.206 4.888 2.958 1.00 0.46 H new ATOM 0 HD1 PHE A 13 -3.405 6.616 4.722 1.00 0.45 H new ATOM 0 HD2 PHE A 13 -4.753 2.997 2.839 1.00 0.45 H new ATOM 0 HE1 PHE A 13 -1.446 5.407 5.642 1.00 0.47 H new ATOM 0 HE2 PHE A 13 -2.786 1.793 3.746 1.00 0.47 H new ATOM 0 HZ PHE A 13 -1.139 2.994 5.156 1.00 0.46 H new ATOM 200 N LEU A 14 -2.982 5.638 1.003 1.00 0.34 N ATOM 201 CA LEU A 14 -1.524 5.776 0.719 1.00 0.31 C ATOM 202 C LEU A 14 -1.300 6.683 -0.492 1.00 0.27 C ATOM 203 O LEU A 14 -0.283 7.315 -0.592 1.00 0.27 O ATOM 204 CB LEU A 14 -0.994 4.369 0.430 1.00 0.34 C ATOM 205 CG LEU A 14 0.332 4.126 1.177 1.00 0.34 C ATOM 206 CD1 LEU A 14 1.095 5.440 1.393 1.00 0.35 C ATOM 207 CD2 LEU A 14 0.019 3.491 2.530 1.00 0.47 C ATOM 0 H LEU A 14 -3.419 4.783 0.658 1.00 0.34 H new ATOM 0 HA LEU A 14 -1.005 6.224 1.566 1.00 0.31 H new ATOM 0 HB2 LEU A 14 -1.731 3.627 0.736 1.00 0.34 H new ATOM 0 HB3 LEU A 14 -0.842 4.245 -0.642 1.00 0.34 H new ATOM 0 HG LEU A 14 0.959 3.466 0.578 1.00 0.34 H new ATOM 0 HD11 LEU A 14 2.026 5.237 1.922 1.00 0.35 H new ATOM 0 HD12 LEU A 14 1.318 5.894 0.428 1.00 0.35 H new ATOM 0 HD13 LEU A 14 0.484 6.123 1.983 1.00 0.35 H new ATOM 0 HD21 LEU A 14 0.948 3.312 3.072 1.00 0.47 H new ATOM 0 HD22 LEU A 14 -0.615 4.162 3.109 1.00 0.47 H new ATOM 0 HD23 LEU A 14 -0.499 2.544 2.377 1.00 0.47 H new ATOM 219 N ALA A 15 -2.231 6.754 -1.413 1.00 0.31 N ATOM 220 CA ALA A 15 -2.031 7.638 -2.609 1.00 0.31 C ATOM 221 C ALA A 15 -1.570 9.028 -2.152 1.00 0.29 C ATOM 222 O ALA A 15 -0.543 9.526 -2.586 1.00 0.29 O ATOM 223 CB ALA A 15 -3.397 7.719 -3.298 1.00 0.39 C ATOM 0 H ALA A 15 -3.114 6.244 -1.391 1.00 0.31 H new ATOM 0 HA ALA A 15 -1.270 7.250 -3.286 1.00 0.31 H new ATOM 0 HB1 ALA A 15 -3.322 8.352 -4.182 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -3.715 6.719 -3.593 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -4.127 8.144 -2.609 1.00 0.39 H new ATOM 229 N ARG A 16 -2.308 9.647 -1.258 1.00 0.30 N ATOM 230 CA ARG A 16 -1.895 10.996 -0.756 1.00 0.30 C ATOM 231 C ARG A 16 -0.660 10.871 0.157 1.00 0.27 C ATOM 232 O ARG A 16 0.137 11.786 0.255 1.00 0.29 O ATOM 233 CB ARG A 16 -3.107 11.555 0.011 1.00 0.35 C ATOM 234 CG ARG A 16 -3.370 10.739 1.286 1.00 0.37 C ATOM 235 CD ARG A 16 -4.768 10.110 1.221 1.00 0.51 C ATOM 236 NE ARG A 16 -5.701 11.169 1.704 1.00 0.96 N ATOM 237 CZ ARG A 16 -6.556 10.904 2.657 1.00 1.64 C ATOM 238 NH1 ARG A 16 -6.198 11.031 3.910 1.00 2.36 N ATOM 239 NH2 ARG A 16 -7.770 10.514 2.356 1.00 2.22 N ATOM 0 H ARG A 16 -3.171 9.279 -0.858 1.00 0.30 H new ATOM 0 HA ARG A 16 -1.613 11.663 -1.571 1.00 0.30 H new ATOM 0 HB2 ARG A 16 -2.928 12.598 0.272 1.00 0.35 H new ATOM 0 HB3 ARG A 16 -3.989 11.533 -0.629 1.00 0.35 H new ATOM 0 HG2 ARG A 16 -2.615 9.960 1.392 1.00 0.37 H new ATOM 0 HG3 ARG A 16 -3.291 11.382 2.163 1.00 0.37 H new ATOM 0 HD2 ARG A 16 -5.014 9.803 0.204 1.00 0.51 H new ATOM 0 HD3 ARG A 16 -4.827 9.219 1.846 1.00 0.51 H new ATOM 0 HE ARG A 16 -5.672 12.101 1.290 1.00 0.96 H new ATOM 0 HH11 ARG A 16 -5.253 11.336 4.142 1.00 2.36 H new ATOM 0 HH12 ARG A 16 -6.864 10.825 4.654 1.00 2.36 H new ATOM 0 HH21 ARG A 16 -8.047 10.417 1.379 1.00 2.22 H new ATOM 0 HH22 ARG A 16 -8.438 10.307 3.099 1.00 2.22 H new ATOM 253 N SER A 17 -0.489 9.743 0.811 1.00 0.25 N ATOM 254 CA SER A 17 0.703 9.563 1.699 1.00 0.25 C ATOM 255 C SER A 17 1.951 9.238 0.863 1.00 0.24 C ATOM 256 O SER A 17 3.044 9.636 1.201 1.00 0.31 O ATOM 257 CB SER A 17 0.349 8.393 2.621 1.00 0.29 C ATOM 258 OG SER A 17 0.027 8.891 3.913 1.00 0.78 O ATOM 0 H SER A 17 -1.121 8.944 0.767 1.00 0.25 H new ATOM 0 HA SER A 17 0.930 10.467 2.264 1.00 0.25 H new ATOM 0 HB2 SER A 17 -0.495 7.836 2.213 1.00 0.29 H new ATOM 0 HB3 SER A 17 1.187 7.699 2.685 1.00 0.29 H new ATOM 0 HG SER A 17 -0.202 8.143 4.504 1.00 0.78 H new ATOM 264 N PHE A 18 1.789 8.522 -0.229 1.00 0.24 N ATOM 265 CA PHE A 18 2.952 8.166 -1.103 1.00 0.24 C ATOM 266 C PHE A 18 3.698 9.438 -1.519 1.00 0.23 C ATOM 267 O PHE A 18 4.905 9.531 -1.387 1.00 0.28 O ATOM 268 CB PHE A 18 2.343 7.497 -2.342 1.00 0.26 C ATOM 269 CG PHE A 18 2.388 5.993 -2.197 1.00 0.26 C ATOM 270 CD1 PHE A 18 3.615 5.316 -2.209 1.00 0.28 C ATOM 271 CD2 PHE A 18 1.198 5.273 -2.061 1.00 0.28 C ATOM 272 CE1 PHE A 18 3.645 3.920 -2.084 1.00 0.31 C ATOM 273 CE2 PHE A 18 1.230 3.884 -1.933 1.00 0.30 C ATOM 274 CZ PHE A 18 2.450 3.205 -1.945 1.00 0.31 C ATOM 0 H PHE A 18 0.889 8.167 -0.553 1.00 0.24 H new ATOM 0 HA PHE A 18 3.660 7.514 -0.592 1.00 0.24 H new ATOM 0 HB2 PHE A 18 1.312 7.827 -2.473 1.00 0.26 H new ATOM 0 HB3 PHE A 18 2.890 7.800 -3.234 1.00 0.26 H new ATOM 0 HD1 PHE A 18 4.537 5.869 -2.314 1.00 0.28 H new ATOM 0 HD2 PHE A 18 0.251 5.793 -2.055 1.00 0.28 H new ATOM 0 HE1 PHE A 18 4.590 3.397 -2.095 1.00 0.31 H new ATOM 0 HE2 PHE A 18 0.308 3.332 -1.824 1.00 0.30 H new ATOM 0 HZ PHE A 18 2.471 2.130 -1.847 1.00 0.31 H new ATOM 284 N ALA A 19 2.977 10.422 -2.014 1.00 0.24 N ATOM 285 CA ALA A 19 3.632 11.701 -2.438 1.00 0.28 C ATOM 286 C ALA A 19 4.253 12.407 -1.224 1.00 0.27 C ATOM 287 O ALA A 19 5.328 12.971 -1.313 1.00 0.34 O ATOM 288 CB ALA A 19 2.514 12.553 -3.045 1.00 0.31 C ATOM 0 H ALA A 19 1.965 10.392 -2.141 1.00 0.24 H new ATOM 0 HA ALA A 19 4.437 11.529 -3.153 1.00 0.28 H new ATOM 0 HB1 ALA A 19 2.923 13.507 -3.378 1.00 0.31 H new ATOM 0 HB2 ALA A 19 2.078 12.029 -3.895 1.00 0.31 H new ATOM 0 HB3 ALA A 19 1.744 12.731 -2.295 1.00 0.31 H new ATOM 294 N ARG A 20 3.592 12.370 -0.090 1.00 0.24 N ATOM 295 CA ARG A 20 4.154 13.027 1.133 1.00 0.26 C ATOM 296 C ARG A 20 5.376 12.245 1.638 1.00 0.25 C ATOM 297 O ARG A 20 6.349 12.822 2.084 1.00 0.31 O ATOM 298 CB ARG A 20 3.025 12.984 2.167 1.00 0.30 C ATOM 299 CG ARG A 20 3.160 14.171 3.126 1.00 0.45 C ATOM 300 CD ARG A 20 3.580 13.669 4.513 1.00 0.99 C ATOM 301 NE ARG A 20 2.314 13.244 5.178 1.00 1.48 N ATOM 302 CZ ARG A 20 2.141 11.993 5.519 1.00 2.10 C ATOM 303 NH1 ARG A 20 1.725 11.125 4.633 1.00 2.76 N ATOM 304 NH2 ARG A 20 2.390 11.610 6.746 1.00 2.46 N ATOM 0 H ARG A 20 2.689 11.914 0.041 1.00 0.24 H new ATOM 0 HA ARG A 20 4.485 14.047 0.937 1.00 0.26 H new ATOM 0 HB2 ARG A 20 2.058 13.017 1.666 1.00 0.30 H new ATOM 0 HB3 ARG A 20 3.064 12.048 2.724 1.00 0.30 H new ATOM 0 HG2 ARG A 20 3.898 14.877 2.745 1.00 0.45 H new ATOM 0 HG3 ARG A 20 2.213 14.706 3.194 1.00 0.45 H new ATOM 0 HD2 ARG A 20 4.281 12.838 4.435 1.00 0.99 H new ATOM 0 HD3 ARG A 20 4.078 14.454 5.081 1.00 0.99 H new ATOM 0 HE ARG A 20 1.583 13.929 5.367 1.00 1.48 H new ATOM 0 HH11 ARG A 20 1.536 11.424 3.676 1.00 2.76 H new ATOM 0 HH12 ARG A 20 1.590 10.150 4.899 1.00 2.76 H new ATOM 0 HH21 ARG A 20 2.718 12.287 7.435 1.00 2.46 H new ATOM 0 HH22 ARG A 20 2.255 10.635 7.013 1.00 2.46 H new ATOM 318 N MET A 21 5.331 10.933 1.556 1.00 0.26 N ATOM 319 CA MET A 21 6.486 10.093 2.013 1.00 0.27 C ATOM 320 C MET A 21 7.736 10.403 1.174 1.00 0.29 C ATOM 321 O MET A 21 8.850 10.185 1.611 1.00 0.36 O ATOM 322 CB MET A 21 6.040 8.645 1.794 1.00 0.31 C ATOM 323 CG MET A 21 4.946 8.282 2.806 1.00 0.37 C ATOM 324 SD MET A 21 5.628 7.184 4.073 1.00 0.50 S ATOM 325 CE MET A 21 4.087 6.886 4.971 1.00 1.22 C ATOM 0 H MET A 21 4.538 10.406 1.190 1.00 0.26 H new ATOM 0 HA MET A 21 6.746 10.286 3.054 1.00 0.27 H new ATOM 0 HB2 MET A 21 5.665 8.520 0.778 1.00 0.31 H new ATOM 0 HB3 MET A 21 6.890 7.972 1.906 1.00 0.31 H new ATOM 0 HG2 MET A 21 4.551 9.186 3.269 1.00 0.37 H new ATOM 0 HG3 MET A 21 4.114 7.794 2.298 1.00 0.37 H new ATOM 0 HE1 MET A 21 4.279 6.219 5.812 1.00 1.22 H new ATOM 0 HE2 MET A 21 3.693 7.832 5.341 1.00 1.22 H new ATOM 0 HE3 MET A 21 3.359 6.426 4.302 1.00 1.22 H new ATOM 335 N HIS A 22 7.557 10.919 -0.024 1.00 0.30 N ATOM 336 CA HIS A 22 8.728 11.258 -0.893 1.00 0.36 C ATOM 337 C HIS A 22 9.660 12.243 -0.170 1.00 0.41 C ATOM 338 O HIS A 22 10.867 12.093 -0.193 1.00 0.52 O ATOM 339 CB HIS A 22 8.120 11.908 -2.139 1.00 0.43 C ATOM 340 CG HIS A 22 9.114 11.862 -3.266 1.00 0.50 C ATOM 341 ND1 HIS A 22 9.457 10.681 -3.903 1.00 0.59 N ATOM 342 CD2 HIS A 22 9.849 12.846 -3.879 1.00 0.78 C ATOM 343 CE1 HIS A 22 10.359 10.981 -4.854 1.00 0.78 C ATOM 344 NE2 HIS A 22 10.634 12.287 -4.883 1.00 0.88 N ATOM 0 H HIS A 22 6.645 11.119 -0.435 1.00 0.30 H new ATOM 0 HA HIS A 22 9.326 10.381 -1.141 1.00 0.36 H new ATOM 0 HB2 HIS A 22 7.206 11.387 -2.425 1.00 0.43 H new ATOM 0 HB3 HIS A 22 7.844 12.941 -1.925 1.00 0.43 H new ATOM 0 HD2 HIS A 22 9.822 13.894 -3.621 1.00 0.78 H new ATOM 0 HE1 HIS A 22 10.807 10.253 -5.515 1.00 0.78 H new ATOM 0 HE2 HIS A 22 11.280 12.771 -5.507 1.00 0.88 H new ATOM 352 N ALA A 23 9.104 13.242 0.472 1.00 0.43 N ATOM 353 CA ALA A 23 9.949 14.237 1.202 1.00 0.55 C ATOM 354 C ALA A 23 10.198 13.784 2.650 1.00 0.52 C ATOM 355 O ALA A 23 11.188 14.150 3.255 1.00 0.65 O ATOM 356 CB ALA A 23 9.140 15.535 1.179 1.00 0.64 C ATOM 0 H ALA A 23 8.099 13.411 0.522 1.00 0.43 H new ATOM 0 HA ALA A 23 10.929 14.354 0.740 1.00 0.55 H new ATOM 0 HB1 ALA A 23 9.694 16.318 1.697 1.00 0.64 H new ATOM 0 HB2 ALA A 23 8.965 15.836 0.146 1.00 0.64 H new ATOM 0 HB3 ALA A 23 8.184 15.377 1.678 1.00 0.64 H new ATOM 362 N GLU A 24 9.309 12.996 3.211 1.00 0.45 N ATOM 363 CA GLU A 24 9.496 12.526 4.623 1.00 0.49 C ATOM 364 C GLU A 24 10.587 11.446 4.705 1.00 0.47 C ATOM 365 O GLU A 24 11.230 11.289 5.726 1.00 0.56 O ATOM 366 CB GLU A 24 8.140 11.943 5.032 1.00 0.49 C ATOM 367 CG GLU A 24 7.355 12.981 5.840 1.00 0.57 C ATOM 368 CD GLU A 24 7.394 12.613 7.326 1.00 0.88 C ATOM 369 OE1 GLU A 24 6.518 11.882 7.758 1.00 1.14 O ATOM 370 OE2 GLU A 24 8.301 13.066 8.005 1.00 1.22 O ATOM 0 H GLU A 24 8.463 12.658 2.752 1.00 0.45 H new ATOM 0 HA GLU A 24 9.813 13.338 5.278 1.00 0.49 H new ATOM 0 HB2 GLU A 24 7.575 11.655 4.146 1.00 0.49 H new ATOM 0 HB3 GLU A 24 8.285 11.040 5.625 1.00 0.49 H new ATOM 0 HG2 GLU A 24 7.782 13.972 5.689 1.00 0.57 H new ATOM 0 HG3 GLU A 24 6.323 13.022 5.492 1.00 0.57 H new ATOM 377 N GLY A 25 10.800 10.704 3.645 1.00 0.39 N ATOM 378 CA GLY A 25 11.847 9.636 3.666 1.00 0.42 C ATOM 379 C GLY A 25 11.353 8.429 4.474 1.00 0.39 C ATOM 380 O GLY A 25 12.120 7.783 5.163 1.00 0.52 O ATOM 0 H GLY A 25 10.292 10.793 2.765 1.00 0.39 H new ATOM 0 HA2 GLY A 25 12.085 9.329 2.648 1.00 0.42 H new ATOM 0 HA3 GLY A 25 12.766 10.025 4.104 1.00 0.42 H new ATOM 384 N ARG A 26 10.082 8.115 4.389 1.00 0.33 N ATOM 385 CA ARG A 26 9.539 6.944 5.145 1.00 0.33 C ATOM 386 C ARG A 26 9.270 5.783 4.179 1.00 0.28 C ATOM 387 O ARG A 26 9.022 6.006 3.012 1.00 0.29 O ATOM 388 CB ARG A 26 8.228 7.434 5.767 1.00 0.36 C ATOM 389 CG ARG A 26 8.392 7.579 7.283 1.00 0.47 C ATOM 390 CD ARG A 26 8.409 9.066 7.662 1.00 0.86 C ATOM 391 NE ARG A 26 9.844 9.395 7.890 1.00 1.21 N ATOM 392 CZ ARG A 26 10.307 9.514 9.107 1.00 1.52 C ATOM 393 NH1 ARG A 26 10.555 8.447 9.819 1.00 2.32 N ATOM 394 NH2 ARG A 26 10.519 10.702 9.611 1.00 1.53 N ATOM 0 H ARG A 26 9.397 8.621 3.827 1.00 0.33 H new ATOM 0 HA ARG A 26 10.234 6.584 5.903 1.00 0.33 H new ATOM 0 HB2 ARG A 26 7.944 8.391 5.330 1.00 0.36 H new ATOM 0 HB3 ARG A 26 7.425 6.731 5.545 1.00 0.36 H new ATOM 0 HG2 ARG A 26 7.575 7.072 7.797 1.00 0.47 H new ATOM 0 HG3 ARG A 26 9.317 7.101 7.606 1.00 0.47 H new ATOM 0 HD2 ARG A 26 7.986 9.680 6.867 1.00 0.86 H new ATOM 0 HD3 ARG A 26 7.816 9.251 8.557 1.00 0.86 H new ATOM 0 HE ARG A 26 10.468 9.528 7.094 1.00 1.21 H new ATOM 0 HH11 ARG A 26 10.387 7.521 9.425 1.00 2.32 H new ATOM 0 HH12 ARG A 26 10.916 8.540 10.768 1.00 2.32 H new ATOM 0 HH21 ARG A 26 10.323 11.534 9.055 1.00 1.53 H new ATOM 0 HH22 ARG A 26 10.880 10.796 10.560 1.00 1.53 H new ATOM 408 N PRO A 27 9.331 4.576 4.697 1.00 0.28 N ATOM 409 CA PRO A 27 9.093 3.374 3.855 1.00 0.28 C ATOM 410 C PRO A 27 7.621 3.285 3.431 1.00 0.29 C ATOM 411 O PRO A 27 6.717 3.403 4.238 1.00 0.35 O ATOM 412 CB PRO A 27 9.501 2.214 4.758 1.00 0.33 C ATOM 413 CG PRO A 27 9.360 2.734 6.149 1.00 0.36 C ATOM 414 CD PRO A 27 9.614 4.219 6.094 1.00 0.35 C ATOM 0 HA PRO A 27 9.656 3.384 2.922 1.00 0.28 H new ATOM 0 HB2 PRO A 27 8.863 1.345 4.596 1.00 0.33 H new ATOM 0 HB3 PRO A 27 10.525 1.900 4.557 1.00 0.33 H new ATOM 0 HG2 PRO A 27 8.363 2.528 6.538 1.00 0.36 H new ATOM 0 HG3 PRO A 27 10.070 2.246 6.817 1.00 0.36 H new ATOM 0 HD2 PRO A 27 8.966 4.761 6.784 1.00 0.35 H new ATOM 0 HD3 PRO A 27 10.642 4.459 6.367 1.00 0.35 H new ATOM 422 N VAL A 28 7.390 3.096 2.155 1.00 0.26 N ATOM 423 CA VAL A 28 5.994 3.014 1.620 1.00 0.28 C ATOM 424 C VAL A 28 5.869 1.773 0.729 1.00 0.29 C ATOM 425 O VAL A 28 6.746 1.491 -0.066 1.00 0.35 O ATOM 426 CB VAL A 28 5.806 4.298 0.789 1.00 0.27 C ATOM 427 CG1 VAL A 28 4.335 4.697 0.778 1.00 0.31 C ATOM 428 CG2 VAL A 28 6.612 5.455 1.392 1.00 0.28 C ATOM 0 H VAL A 28 8.121 2.993 1.451 1.00 0.26 H new ATOM 0 HA VAL A 28 5.243 2.933 2.406 1.00 0.28 H new ATOM 0 HB VAL A 28 6.154 4.098 -0.224 1.00 0.27 H new ATOM 0 HG11 VAL A 28 4.209 5.605 0.189 1.00 0.31 H new ATOM 0 HG12 VAL A 28 3.744 3.894 0.338 1.00 0.31 H new ATOM 0 HG13 VAL A 28 3.999 4.877 1.799 1.00 0.31 H new ATOM 0 HG21 VAL A 28 6.466 6.352 0.791 1.00 0.28 H new ATOM 0 HG22 VAL A 28 6.274 5.642 2.411 1.00 0.28 H new ATOM 0 HG23 VAL A 28 7.670 5.194 1.403 1.00 0.28 H new ATOM 438 N ASP A 29 4.801 1.022 0.855 1.00 0.28 N ATOM 439 CA ASP A 29 4.659 -0.202 0.006 1.00 0.30 C ATOM 440 C ASP A 29 4.255 0.179 -1.422 1.00 0.29 C ATOM 441 O ASP A 29 3.084 0.202 -1.771 1.00 0.29 O ATOM 442 CB ASP A 29 3.561 -1.040 0.670 1.00 0.32 C ATOM 443 CG ASP A 29 3.619 -2.472 0.131 1.00 0.39 C ATOM 444 OD1 ASP A 29 4.501 -3.205 0.545 1.00 0.70 O ATOM 445 OD2 ASP A 29 2.785 -2.809 -0.691 1.00 0.67 O ATOM 0 H ASP A 29 4.031 1.200 1.500 1.00 0.28 H new ATOM 0 HA ASP A 29 5.597 -0.753 -0.067 1.00 0.30 H new ATOM 0 HB2 ASP A 29 3.693 -1.041 1.752 1.00 0.32 H new ATOM 0 HB3 ASP A 29 2.583 -0.603 0.469 1.00 0.32 H new ATOM 450 N ILE A 30 5.219 0.453 -2.262 1.00 0.30 N ATOM 451 CA ILE A 30 4.887 0.813 -3.669 1.00 0.30 C ATOM 452 C ILE A 30 4.285 -0.402 -4.381 1.00 0.31 C ATOM 453 O ILE A 30 3.485 -0.252 -5.278 1.00 0.31 O ATOM 454 CB ILE A 30 6.202 1.246 -4.319 1.00 0.33 C ATOM 455 CG1 ILE A 30 6.643 2.590 -3.718 1.00 0.31 C ATOM 456 CG2 ILE A 30 5.997 1.401 -5.831 1.00 0.38 C ATOM 457 CD1 ILE A 30 5.735 3.715 -4.226 1.00 0.34 C ATOM 0 H ILE A 30 6.214 0.443 -2.036 1.00 0.30 H new ATOM 0 HA ILE A 30 4.151 1.615 -3.727 1.00 0.30 H new ATOM 0 HB ILE A 30 6.969 0.494 -4.135 1.00 0.33 H new ATOM 0 HG12 ILE A 30 6.602 2.542 -2.630 1.00 0.31 H new ATOM 0 HG13 ILE A 30 7.678 2.797 -3.989 1.00 0.31 H new ATOM 0 HG21 ILE A 30 6.934 1.710 -6.295 1.00 0.38 H new ATOM 0 HG22 ILE A 30 5.679 0.448 -6.255 1.00 0.38 H new ATOM 0 HG23 ILE A 30 5.233 2.155 -6.019 1.00 0.38 H new ATOM 0 HD11 ILE A 30 6.055 4.664 -3.795 1.00 0.34 H new ATOM 0 HD12 ILE A 30 5.798 3.771 -5.313 1.00 0.34 H new ATOM 0 HD13 ILE A 30 4.705 3.512 -3.932 1.00 0.34 H new ATOM 469 N LEU A 31 4.642 -1.602 -3.968 1.00 0.35 N ATOM 470 CA LEU A 31 4.057 -2.824 -4.607 1.00 0.37 C ATOM 471 C LEU A 31 2.531 -2.695 -4.616 1.00 0.32 C ATOM 472 O LEU A 31 1.881 -2.978 -5.605 1.00 0.33 O ATOM 473 CB LEU A 31 4.520 -4.000 -3.727 1.00 0.45 C ATOM 474 CG LEU A 31 3.723 -5.281 -4.036 1.00 0.48 C ATOM 475 CD1 LEU A 31 2.379 -5.244 -3.301 1.00 0.48 C ATOM 476 CD2 LEU A 31 3.482 -5.408 -5.547 1.00 0.47 C ATOM 0 H LEU A 31 5.310 -1.783 -3.219 1.00 0.35 H new ATOM 0 HA LEU A 31 4.375 -2.966 -5.640 1.00 0.37 H new ATOM 0 HB2 LEU A 31 5.582 -4.182 -3.890 1.00 0.45 H new ATOM 0 HB3 LEU A 31 4.399 -3.739 -2.676 1.00 0.45 H new ATOM 0 HG LEU A 31 4.299 -6.143 -3.697 1.00 0.48 H new ATOM 0 HD11 LEU A 31 1.818 -6.152 -3.522 1.00 0.48 H new ATOM 0 HD12 LEU A 31 2.553 -5.178 -2.227 1.00 0.48 H new ATOM 0 HD13 LEU A 31 1.808 -4.376 -3.630 1.00 0.48 H new ATOM 0 HD21 LEU A 31 2.918 -6.318 -5.750 1.00 0.47 H new ATOM 0 HD22 LEU A 31 2.918 -4.545 -5.899 1.00 0.47 H new ATOM 0 HD23 LEU A 31 4.440 -5.452 -6.066 1.00 0.47 H new ATOM 488 N ALA A 32 1.967 -2.234 -3.526 1.00 0.32 N ATOM 489 CA ALA A 32 0.489 -2.035 -3.460 1.00 0.32 C ATOM 490 C ALA A 32 0.053 -1.129 -4.618 1.00 0.31 C ATOM 491 O ALA A 32 -0.976 -1.332 -5.235 1.00 0.35 O ATOM 492 CB ALA A 32 0.259 -1.336 -2.119 1.00 0.34 C ATOM 0 H ALA A 32 2.472 -1.986 -2.675 1.00 0.32 H new ATOM 0 HA ALA A 32 -0.075 -2.964 -3.539 1.00 0.32 H new ATOM 0 HB1 ALA A 32 -0.806 -1.149 -1.984 1.00 0.34 H new ATOM 0 HB2 ALA A 32 0.621 -1.971 -1.311 1.00 0.34 H new ATOM 0 HB3 ALA A 32 0.798 -0.389 -2.105 1.00 0.34 H new ATOM 498 N VAL A 33 0.851 -0.132 -4.908 1.00 0.31 N ATOM 499 CA VAL A 33 0.535 0.818 -6.023 1.00 0.35 C ATOM 500 C VAL A 33 0.826 0.197 -7.401 1.00 0.32 C ATOM 501 O VAL A 33 0.262 0.607 -8.397 1.00 0.37 O ATOM 502 CB VAL A 33 1.459 2.012 -5.764 1.00 0.40 C ATOM 503 CG1 VAL A 33 1.467 2.954 -6.968 1.00 0.40 C ATOM 504 CG2 VAL A 33 0.961 2.770 -4.540 1.00 0.65 C ATOM 0 H VAL A 33 1.720 0.068 -4.413 1.00 0.31 H new ATOM 0 HA VAL A 33 -0.521 1.089 -6.042 1.00 0.35 H new ATOM 0 HB VAL A 33 2.472 1.646 -5.596 1.00 0.40 H new ATOM 0 HG11 VAL A 33 2.129 3.796 -6.766 1.00 0.40 H new ATOM 0 HG12 VAL A 33 1.821 2.417 -7.848 1.00 0.40 H new ATOM 0 HG13 VAL A 33 0.457 3.321 -7.149 1.00 0.40 H new ATOM 0 HG21 VAL A 33 1.614 3.622 -4.349 1.00 0.65 H new ATOM 0 HG22 VAL A 33 -0.054 3.124 -4.719 1.00 0.65 H new ATOM 0 HG23 VAL A 33 0.967 2.107 -3.675 1.00 0.65 H new ATOM 514 N THR A 34 1.701 -0.774 -7.471 1.00 0.31 N ATOM 515 CA THR A 34 2.028 -1.398 -8.797 1.00 0.34 C ATOM 516 C THR A 34 0.990 -2.469 -9.162 1.00 0.40 C ATOM 517 O THR A 34 0.776 -2.758 -10.324 1.00 0.47 O ATOM 518 CB THR A 34 3.430 -2.028 -8.645 1.00 0.36 C ATOM 519 OG1 THR A 34 3.314 -3.343 -8.118 1.00 0.40 O ATOM 520 CG2 THR A 34 4.298 -1.185 -7.708 1.00 0.36 C ATOM 0 H THR A 34 2.203 -1.163 -6.673 1.00 0.31 H new ATOM 0 HA THR A 34 2.013 -0.657 -9.596 1.00 0.34 H new ATOM 0 HB THR A 34 3.899 -2.065 -9.628 1.00 0.36 H new ATOM 0 HG1 THR A 34 4.206 -3.738 -8.025 1.00 0.40 H new ATOM 0 HG21 THR A 34 5.282 -1.644 -7.613 1.00 0.36 H new ATOM 0 HG22 THR A 34 4.404 -0.180 -8.116 1.00 0.36 H new ATOM 0 HG23 THR A 34 3.827 -1.130 -6.727 1.00 0.36 H new ATOM 528 N GLY A 35 0.348 -3.060 -8.182 1.00 0.44 N ATOM 529 CA GLY A 35 -0.674 -4.109 -8.475 1.00 0.53 C ATOM 530 C GLY A 35 -1.874 -3.483 -9.197 1.00 0.65 C ATOM 531 O GLY A 35 -2.503 -4.115 -10.024 1.00 0.82 O ATOM 0 H GLY A 35 0.489 -2.859 -7.192 1.00 0.44 H new ATOM 0 HA2 GLY A 35 -0.236 -4.893 -9.092 1.00 0.53 H new ATOM 0 HA3 GLY A 35 -1.001 -4.579 -7.548 1.00 0.53 H new ATOM 535 N ASN A 36 -2.197 -2.249 -8.890 1.00 0.66 N ATOM 536 CA ASN A 36 -3.358 -1.586 -9.557 1.00 0.82 C ATOM 537 C ASN A 36 -2.894 -0.695 -10.723 1.00 0.72 C ATOM 538 O ASN A 36 -3.525 -0.659 -11.763 1.00 0.87 O ATOM 539 CB ASN A 36 -4.018 -0.747 -8.460 1.00 0.95 C ATOM 540 CG ASN A 36 -5.035 -1.608 -7.699 1.00 1.57 C ATOM 541 OD1 ASN A 36 -4.700 -2.229 -6.710 1.00 2.13 O ATOM 542 ND2 ASN A 36 -6.270 -1.674 -8.126 1.00 1.97 N ATOM 0 H ASN A 36 -1.705 -1.674 -8.206 1.00 0.66 H new ATOM 0 HA ASN A 36 -4.046 -2.313 -9.988 1.00 0.82 H new ATOM 0 HB2 ASN A 36 -3.262 -0.367 -7.773 1.00 0.95 H new ATOM 0 HB3 ASN A 36 -4.514 0.119 -8.899 1.00 0.95 H new ATOM 0 HD21 ASN A 36 -6.952 -2.247 -7.629 1.00 1.97 H new ATOM 0 HD22 ASN A 36 -6.551 -1.153 -8.956 1.00 1.97 H new ATOM 549 N MET A 37 -1.807 0.027 -10.562 1.00 0.57 N ATOM 550 CA MET A 37 -1.323 0.913 -11.672 1.00 0.53 C ATOM 551 C MET A 37 -0.135 0.275 -12.399 1.00 0.50 C ATOM 552 O MET A 37 0.667 -0.424 -11.807 1.00 0.53 O ATOM 553 CB MET A 37 -0.883 2.218 -11.000 1.00 0.47 C ATOM 554 CG MET A 37 -2.087 2.917 -10.368 1.00 0.60 C ATOM 555 SD MET A 37 -3.197 3.520 -11.666 1.00 1.09 S ATOM 556 CE MET A 37 -3.499 5.170 -10.978 1.00 1.87 C ATOM 0 H MET A 37 -1.238 0.041 -9.716 1.00 0.57 H new ATOM 0 HA MET A 37 -2.104 1.077 -12.415 1.00 0.53 H new ATOM 0 HB2 MET A 37 -0.133 2.008 -10.237 1.00 0.47 H new ATOM 0 HB3 MET A 37 -0.416 2.874 -11.734 1.00 0.47 H new ATOM 0 HG2 MET A 37 -2.619 2.226 -9.714 1.00 0.60 H new ATOM 0 HG3 MET A 37 -1.752 3.748 -9.748 1.00 0.60 H new ATOM 0 HE1 MET A 37 -4.172 5.721 -11.635 1.00 1.87 H new ATOM 0 HE2 MET A 37 -3.952 5.075 -9.991 1.00 1.87 H new ATOM 0 HE3 MET A 37 -2.554 5.707 -10.893 1.00 1.87 H new ATOM 566 N ASP A 38 -0.016 0.529 -13.679 1.00 0.53 N ATOM 567 CA ASP A 38 1.120 -0.039 -14.468 1.00 0.55 C ATOM 568 C ASP A 38 1.477 0.912 -15.619 1.00 0.57 C ATOM 569 O ASP A 38 2.607 1.344 -15.743 1.00 0.57 O ATOM 570 CB ASP A 38 0.612 -1.372 -15.008 1.00 0.66 C ATOM 571 CG ASP A 38 0.983 -2.500 -14.039 1.00 0.85 C ATOM 572 OD1 ASP A 38 2.123 -2.934 -14.072 1.00 1.21 O ATOM 573 OD2 ASP A 38 0.120 -2.910 -13.280 1.00 1.31 O ATOM 0 H ASP A 38 -0.662 1.109 -14.214 1.00 0.53 H new ATOM 0 HA ASP A 38 2.019 -0.170 -13.866 1.00 0.55 H new ATOM 0 HB2 ASP A 38 -0.469 -1.333 -15.139 1.00 0.66 H new ATOM 0 HB3 ASP A 38 1.045 -1.566 -15.989 1.00 0.66 H new ATOM 578 N GLU A 39 0.514 1.253 -16.450 1.00 0.63 N ATOM 579 CA GLU A 39 0.791 2.194 -17.584 1.00 0.68 C ATOM 580 C GLU A 39 1.278 3.531 -17.019 1.00 0.61 C ATOM 581 O GLU A 39 2.383 3.962 -17.288 1.00 0.61 O ATOM 582 CB GLU A 39 -0.548 2.380 -18.305 1.00 0.77 C ATOM 583 CG GLU A 39 -0.776 1.223 -19.286 1.00 0.92 C ATOM 584 CD GLU A 39 -1.518 0.082 -18.584 1.00 1.19 C ATOM 585 OE1 GLU A 39 -2.733 0.157 -18.496 1.00 1.38 O ATOM 586 OE2 GLU A 39 -0.859 -0.848 -18.148 1.00 1.45 O ATOM 0 H GLU A 39 -0.448 0.920 -16.390 1.00 0.63 H new ATOM 0 HA GLU A 39 1.557 1.815 -18.261 1.00 0.68 H new ATOM 0 HB2 GLU A 39 -1.360 2.418 -17.579 1.00 0.77 H new ATOM 0 HB3 GLU A 39 -0.554 3.329 -18.841 1.00 0.77 H new ATOM 0 HG2 GLU A 39 -1.353 1.570 -20.143 1.00 0.92 H new ATOM 0 HG3 GLU A 39 0.180 0.866 -19.669 1.00 0.92 H new ATOM 593 N GLU A 40 0.465 4.170 -16.210 1.00 0.60 N ATOM 594 CA GLU A 40 0.882 5.461 -15.587 1.00 0.57 C ATOM 595 C GLU A 40 1.890 5.178 -14.465 1.00 0.50 C ATOM 596 O GLU A 40 2.699 6.018 -14.115 1.00 0.51 O ATOM 597 CB GLU A 40 -0.399 6.073 -15.006 1.00 0.64 C ATOM 598 CG GLU A 40 -0.885 7.213 -15.907 1.00 1.14 C ATOM 599 CD GLU A 40 -2.380 7.039 -16.200 1.00 1.97 C ATOM 600 OE1 GLU A 40 -3.178 7.466 -15.381 1.00 2.42 O ATOM 601 OE2 GLU A 40 -2.700 6.484 -17.238 1.00 2.55 O ATOM 0 H GLU A 40 -0.470 3.850 -15.956 1.00 0.60 H new ATOM 0 HA GLU A 40 1.355 6.133 -16.303 1.00 0.57 H new ATOM 0 HB2 GLU A 40 -1.172 5.309 -14.922 1.00 0.64 H new ATOM 0 HB3 GLU A 40 -0.210 6.448 -14.000 1.00 0.64 H new ATOM 0 HG2 GLU A 40 -0.709 8.173 -15.422 1.00 1.14 H new ATOM 0 HG3 GLU A 40 -0.320 7.219 -16.839 1.00 1.14 H new ATOM 608 N HIS A 41 1.841 3.989 -13.907 1.00 0.46 N ATOM 609 CA HIS A 41 2.781 3.615 -12.809 1.00 0.41 C ATOM 610 C HIS A 41 4.232 3.557 -13.319 1.00 0.39 C ATOM 611 O HIS A 41 5.164 3.646 -12.544 1.00 0.39 O ATOM 612 CB HIS A 41 2.310 2.228 -12.357 1.00 0.43 C ATOM 613 CG HIS A 41 3.162 1.755 -11.216 1.00 0.38 C ATOM 614 ND1 HIS A 41 3.116 2.350 -9.966 1.00 0.39 N ATOM 615 CD2 HIS A 41 4.098 0.757 -11.122 1.00 0.46 C ATOM 616 CE1 HIS A 41 4.000 1.713 -9.180 1.00 0.41 C ATOM 617 NE2 HIS A 41 4.626 0.732 -9.836 1.00 0.45 N ATOM 0 H HIS A 41 1.181 3.257 -14.171 1.00 0.46 H new ATOM 0 HA HIS A 41 2.775 4.343 -11.997 1.00 0.41 H new ATOM 0 HB2 HIS A 41 1.265 2.270 -12.051 1.00 0.43 H new ATOM 0 HB3 HIS A 41 2.371 1.524 -13.187 1.00 0.43 H new ATOM 0 HD2 HIS A 41 4.382 0.092 -11.924 1.00 0.46 H new ATOM 0 HE1 HIS A 41 4.182 1.963 -8.145 1.00 0.41 H new ATOM 0 HE2 HIS A 41 5.339 0.100 -9.471 1.00 0.45 H new ATOM 625 N ARG A 42 4.429 3.405 -14.609 1.00 0.42 N ATOM 626 CA ARG A 42 5.820 3.339 -15.160 1.00 0.44 C ATOM 627 C ARG A 42 6.611 4.602 -14.792 1.00 0.40 C ATOM 628 O ARG A 42 7.672 4.523 -14.201 1.00 0.41 O ATOM 629 CB ARG A 42 5.648 3.231 -16.677 1.00 0.50 C ATOM 630 CG ARG A 42 5.662 1.756 -17.084 1.00 0.55 C ATOM 631 CD ARG A 42 4.854 1.570 -18.370 1.00 0.70 C ATOM 632 NE ARG A 42 4.856 0.100 -18.615 1.00 0.85 N ATOM 633 CZ ARG A 42 3.734 -0.570 -18.594 1.00 1.03 C ATOM 634 NH1 ARG A 42 2.966 -0.587 -19.652 1.00 1.64 N ATOM 635 NH2 ARG A 42 3.385 -1.225 -17.516 1.00 1.27 N ATOM 0 H ARG A 42 3.686 3.324 -15.303 1.00 0.42 H new ATOM 0 HA ARG A 42 6.377 2.495 -14.754 1.00 0.44 H new ATOM 0 HB2 ARG A 42 4.710 3.695 -16.982 1.00 0.50 H new ATOM 0 HB3 ARG A 42 6.450 3.768 -17.185 1.00 0.50 H new ATOM 0 HG2 ARG A 42 6.688 1.420 -17.235 1.00 0.55 H new ATOM 0 HG3 ARG A 42 5.241 1.144 -16.286 1.00 0.55 H new ATOM 0 HD2 ARG A 42 3.839 1.950 -18.257 1.00 0.70 H new ATOM 0 HD3 ARG A 42 5.306 2.110 -19.202 1.00 0.70 H new ATOM 0 HE ARG A 42 5.735 -0.384 -18.799 1.00 0.85 H new ATOM 0 HH11 ARG A 42 3.243 -0.078 -20.491 1.00 1.64 H new ATOM 0 HH12 ARG A 42 2.090 -1.109 -19.638 1.00 1.64 H new ATOM 0 HH21 ARG A 42 3.988 -1.212 -16.694 1.00 1.27 H new ATOM 0 HH22 ARG A 42 2.510 -1.748 -17.498 1.00 1.27 H new ATOM 649 N THR A 43 6.103 5.766 -15.126 1.00 0.41 N ATOM 650 CA THR A 43 6.832 7.027 -14.781 1.00 0.39 C ATOM 651 C THR A 43 6.724 7.309 -13.271 1.00 0.36 C ATOM 652 O THR A 43 7.632 7.863 -12.672 1.00 0.36 O ATOM 653 CB THR A 43 6.166 8.139 -15.613 1.00 0.46 C ATOM 654 OG1 THR A 43 6.909 9.342 -15.468 1.00 0.52 O ATOM 655 CG2 THR A 43 4.722 8.374 -15.153 1.00 0.50 C ATOM 0 H THR A 43 5.220 5.896 -15.620 1.00 0.41 H new ATOM 0 HA THR A 43 7.896 6.960 -15.007 1.00 0.39 H new ATOM 0 HB THR A 43 6.151 7.831 -16.658 1.00 0.46 H new ATOM 0 HG1 THR A 43 6.489 10.052 -15.997 1.00 0.52 H new ATOM 0 HG21 THR A 43 4.272 9.164 -15.755 1.00 0.50 H new ATOM 0 HG22 THR A 43 4.148 7.455 -15.272 1.00 0.50 H new ATOM 0 HG23 THR A 43 4.718 8.671 -14.104 1.00 0.50 H new ATOM 663 N TRP A 44 5.634 6.913 -12.649 1.00 0.36 N ATOM 664 CA TRP A 44 5.485 7.142 -11.181 1.00 0.35 C ATOM 665 C TRP A 44 6.537 6.326 -10.425 1.00 0.32 C ATOM 666 O TRP A 44 7.253 6.857 -9.600 1.00 0.32 O ATOM 667 CB TRP A 44 4.063 6.683 -10.829 1.00 0.38 C ATOM 668 CG TRP A 44 3.961 6.425 -9.356 1.00 0.36 C ATOM 669 CD1 TRP A 44 4.177 5.229 -8.769 1.00 0.39 C ATOM 670 CD2 TRP A 44 3.634 7.355 -8.279 1.00 0.34 C ATOM 671 NE1 TRP A 44 4.003 5.358 -7.404 1.00 0.37 N ATOM 672 CE2 TRP A 44 3.667 6.649 -7.052 1.00 0.34 C ATOM 673 CE3 TRP A 44 3.316 8.726 -8.246 1.00 0.35 C ATOM 674 CZ2 TRP A 44 3.393 7.279 -5.837 1.00 0.34 C ATOM 675 CZ3 TRP A 44 3.040 9.363 -7.022 1.00 0.36 C ATOM 676 CH2 TRP A 44 3.078 8.640 -5.821 1.00 0.35 C ATOM 0 H TRP A 44 4.847 6.443 -13.097 1.00 0.36 H new ATOM 0 HA TRP A 44 5.633 8.186 -10.905 1.00 0.35 H new ATOM 0 HB2 TRP A 44 3.342 7.445 -11.124 1.00 0.38 H new ATOM 0 HB3 TRP A 44 3.816 5.778 -11.384 1.00 0.38 H new ATOM 0 HD1 TRP A 44 4.443 4.317 -9.283 1.00 0.39 H new ATOM 0 HE1 TRP A 44 4.110 4.593 -6.738 1.00 0.37 H new ATOM 0 HE3 TRP A 44 3.284 9.292 -9.165 1.00 0.35 H new ATOM 0 HZ2 TRP A 44 3.424 6.718 -4.915 1.00 0.34 H new ATOM 0 HZ3 TRP A 44 2.797 10.415 -7.007 1.00 0.36 H new ATOM 0 HH2 TRP A 44 2.864 9.135 -4.885 1.00 0.35 H new ATOM 687 N PHE A 45 6.645 5.044 -10.700 1.00 0.31 N ATOM 688 CA PHE A 45 7.663 4.226 -9.979 1.00 0.29 C ATOM 689 C PHE A 45 9.077 4.627 -10.398 1.00 0.27 C ATOM 690 O PHE A 45 10.010 4.370 -9.685 1.00 0.28 O ATOM 691 CB PHE A 45 7.399 2.756 -10.327 1.00 0.30 C ATOM 692 CG PHE A 45 7.834 1.869 -9.164 1.00 0.28 C ATOM 693 CD1 PHE A 45 8.534 2.410 -8.068 1.00 0.27 C ATOM 694 CD2 PHE A 45 7.525 0.503 -9.178 1.00 0.31 C ATOM 695 CE1 PHE A 45 8.914 1.588 -7.001 1.00 0.27 C ATOM 696 CE2 PHE A 45 7.910 -0.317 -8.109 1.00 0.32 C ATOM 697 CZ PHE A 45 8.602 0.227 -7.020 1.00 0.30 C ATOM 0 H PHE A 45 6.079 4.540 -11.383 1.00 0.31 H new ATOM 0 HA PHE A 45 7.586 4.387 -8.904 1.00 0.29 H new ATOM 0 HB2 PHE A 45 6.340 2.606 -10.536 1.00 0.30 H new ATOM 0 HB3 PHE A 45 7.944 2.482 -11.230 1.00 0.30 H new ATOM 0 HD1 PHE A 45 8.778 3.462 -8.051 1.00 0.27 H new ATOM 0 HD2 PHE A 45 6.989 0.081 -10.015 1.00 0.31 H new ATOM 0 HE1 PHE A 45 9.449 2.007 -6.162 1.00 0.27 H new ATOM 0 HE2 PHE A 45 7.673 -1.370 -8.125 1.00 0.32 H new ATOM 0 HZ PHE A 45 8.894 -0.406 -6.195 1.00 0.30 H new ATOM 707 N CYS A 46 9.259 5.271 -11.527 1.00 0.29 N ATOM 708 CA CYS A 46 10.645 5.686 -11.908 1.00 0.29 C ATOM 709 C CYS A 46 11.213 6.555 -10.776 1.00 0.28 C ATOM 710 O CYS A 46 12.243 6.249 -10.189 1.00 0.28 O ATOM 711 CB CYS A 46 10.495 6.494 -13.203 1.00 0.35 C ATOM 712 SG CYS A 46 11.900 6.157 -14.292 1.00 0.89 S ATOM 0 H CYS A 46 8.524 5.523 -12.188 1.00 0.29 H new ATOM 0 HA CYS A 46 11.321 4.844 -12.060 1.00 0.29 H new ATOM 0 HB2 CYS A 46 9.563 6.230 -13.703 1.00 0.35 H new ATOM 0 HB3 CYS A 46 10.445 7.559 -12.976 1.00 0.35 H new ATOM 0 HG CYS A 46 11.771 6.840 -15.390 1.00 0.89 H new ATOM 718 N ALA A 47 10.513 7.614 -10.438 1.00 0.30 N ATOM 719 CA ALA A 47 10.967 8.496 -9.320 1.00 0.31 C ATOM 720 C ALA A 47 10.673 7.830 -7.962 1.00 0.28 C ATOM 721 O ALA A 47 11.299 8.143 -6.969 1.00 0.31 O ATOM 722 CB ALA A 47 10.155 9.783 -9.471 1.00 0.38 C ATOM 0 H ALA A 47 9.646 7.904 -10.891 1.00 0.30 H new ATOM 0 HA ALA A 47 12.040 8.685 -9.356 1.00 0.31 H new ATOM 0 HB1 ALA A 47 10.433 10.483 -8.683 1.00 0.38 H new ATOM 0 HB2 ALA A 47 10.360 10.231 -10.443 1.00 0.38 H new ATOM 0 HB3 ALA A 47 9.092 9.554 -9.394 1.00 0.38 H new ATOM 728 N ARG A 48 9.730 6.912 -7.918 1.00 0.27 N ATOM 729 CA ARG A 48 9.403 6.221 -6.628 1.00 0.27 C ATOM 730 C ARG A 48 10.299 4.985 -6.432 1.00 0.25 C ATOM 731 O ARG A 48 10.365 4.423 -5.356 1.00 0.29 O ATOM 732 CB ARG A 48 7.935 5.799 -6.750 1.00 0.30 C ATOM 733 CG ARG A 48 7.043 6.811 -6.026 1.00 0.37 C ATOM 734 CD ARG A 48 6.933 8.093 -6.859 1.00 0.40 C ATOM 735 NE ARG A 48 7.464 9.170 -5.981 1.00 0.63 N ATOM 736 CZ ARG A 48 6.770 10.260 -5.791 1.00 0.80 C ATOM 737 NH1 ARG A 48 5.842 10.289 -4.871 1.00 1.40 N ATOM 738 NH2 ARG A 48 7.004 11.318 -6.524 1.00 1.13 N ATOM 0 H ARG A 48 9.175 6.613 -8.720 1.00 0.27 H new ATOM 0 HA ARG A 48 9.570 6.873 -5.770 1.00 0.27 H new ATOM 0 HB2 ARG A 48 7.651 5.736 -7.801 1.00 0.30 H new ATOM 0 HB3 ARG A 48 7.796 4.806 -6.322 1.00 0.30 H new ATOM 0 HG2 ARG A 48 6.053 6.386 -5.863 1.00 0.37 H new ATOM 0 HG3 ARG A 48 7.458 7.039 -5.044 1.00 0.37 H new ATOM 0 HD2 ARG A 48 7.509 8.015 -7.781 1.00 0.40 H new ATOM 0 HD3 ARG A 48 5.900 8.290 -7.145 1.00 0.40 H new ATOM 0 HE ARG A 48 8.370 9.057 -5.527 1.00 0.63 H new ATOM 0 HH11 ARG A 48 5.661 9.461 -4.303 1.00 1.40 H new ATOM 0 HH12 ARG A 48 5.299 11.139 -4.721 1.00 1.40 H new ATOM 0 HH21 ARG A 48 7.727 11.291 -7.243 1.00 1.13 H new ATOM 0 HH22 ARG A 48 6.463 12.170 -6.377 1.00 1.13 H new ATOM 752 N TYR A 49 10.994 4.570 -7.461 1.00 0.22 N ATOM 753 CA TYR A 49 11.897 3.388 -7.351 1.00 0.23 C ATOM 754 C TYR A 49 13.128 3.805 -6.570 1.00 0.23 C ATOM 755 O TYR A 49 13.483 3.217 -5.565 1.00 0.27 O ATOM 756 CB TYR A 49 12.310 3.063 -8.791 1.00 0.24 C ATOM 757 CG TYR A 49 11.642 1.796 -9.274 1.00 0.27 C ATOM 758 CD1 TYR A 49 11.708 0.627 -8.506 1.00 0.31 C ATOM 759 CD2 TYR A 49 10.970 1.786 -10.504 1.00 0.31 C ATOM 760 CE1 TYR A 49 11.101 -0.548 -8.964 1.00 0.35 C ATOM 761 CE2 TYR A 49 10.366 0.610 -10.963 1.00 0.35 C ATOM 762 CZ TYR A 49 10.430 -0.557 -10.192 1.00 0.36 C ATOM 763 OH TYR A 49 9.833 -1.716 -10.645 1.00 0.42 O ATOM 0 H TYR A 49 10.973 5.006 -8.383 1.00 0.22 H new ATOM 0 HA TYR A 49 11.425 2.539 -6.857 1.00 0.23 H new ATOM 0 HB2 TYR A 49 12.042 3.892 -9.446 1.00 0.24 H new ATOM 0 HB3 TYR A 49 13.393 2.951 -8.846 1.00 0.24 H new ATOM 0 HD1 TYR A 49 12.228 0.632 -7.559 1.00 0.31 H new ATOM 0 HD2 TYR A 49 10.918 2.687 -11.098 1.00 0.31 H new ATOM 0 HE1 TYR A 49 11.150 -1.448 -8.369 1.00 0.35 H new ATOM 0 HE2 TYR A 49 9.850 0.603 -11.912 1.00 0.35 H new ATOM 0 HH TYR A 49 9.410 -1.548 -11.513 1.00 0.42 H new ATOM 773 N ALA A 50 13.769 4.836 -7.046 1.00 0.24 N ATOM 774 CA ALA A 50 14.986 5.352 -6.373 1.00 0.26 C ATOM 775 C ALA A 50 14.633 5.913 -5.000 1.00 0.25 C ATOM 776 O ALA A 50 15.237 5.564 -4.011 1.00 0.28 O ATOM 777 CB ALA A 50 15.458 6.464 -7.285 1.00 0.30 C ATOM 0 H ALA A 50 13.495 5.348 -7.885 1.00 0.24 H new ATOM 0 HA ALA A 50 15.741 4.582 -6.214 1.00 0.26 H new ATOM 0 HB1 ALA A 50 16.361 6.914 -6.873 1.00 0.30 H new ATOM 0 HB2 ALA A 50 15.674 6.057 -8.273 1.00 0.30 H new ATOM 0 HB3 ALA A 50 14.679 7.222 -7.367 1.00 0.30 H new ATOM 783 N TRP A 51 13.655 6.779 -4.936 1.00 0.24 N ATOM 784 CA TRP A 51 13.257 7.364 -3.622 1.00 0.25 C ATOM 785 C TRP A 51 13.045 6.244 -2.601 1.00 0.23 C ATOM 786 O TRP A 51 13.655 6.245 -1.554 1.00 0.26 O ATOM 787 CB TRP A 51 11.958 8.121 -3.909 1.00 0.27 C ATOM 788 CG TRP A 51 11.048 8.087 -2.711 1.00 0.26 C ATOM 789 CD1 TRP A 51 11.222 8.787 -1.565 1.00 0.29 C ATOM 790 CD2 TRP A 51 9.831 7.307 -2.529 1.00 0.25 C ATOM 791 NE1 TRP A 51 10.186 8.484 -0.694 1.00 0.27 N ATOM 792 CE2 TRP A 51 9.301 7.577 -1.247 1.00 0.25 C ATOM 793 CE3 TRP A 51 9.147 6.402 -3.350 1.00 0.31 C ATOM 794 CZ2 TRP A 51 8.123 6.963 -0.803 1.00 0.26 C ATOM 795 CZ3 TRP A 51 7.969 5.787 -2.910 1.00 0.35 C ATOM 796 CH2 TRP A 51 7.459 6.065 -1.640 1.00 0.31 C ATOM 0 H TRP A 51 13.115 7.106 -5.737 1.00 0.24 H new ATOM 0 HA TRP A 51 14.014 8.025 -3.201 1.00 0.25 H new ATOM 0 HB2 TRP A 51 12.184 9.155 -4.171 1.00 0.27 H new ATOM 0 HB3 TRP A 51 11.454 7.677 -4.768 1.00 0.27 H new ATOM 0 HD1 TRP A 51 12.034 9.469 -1.362 1.00 0.29 H new ATOM 0 HE1 TRP A 51 10.089 8.882 0.240 1.00 0.27 H new ATOM 0 HE3 TRP A 51 9.532 6.176 -4.333 1.00 0.31 H new ATOM 0 HZ2 TRP A 51 7.732 7.183 0.179 1.00 0.26 H new ATOM 0 HZ3 TRP A 51 7.452 5.094 -3.556 1.00 0.35 H new ATOM 0 HH2 TRP A 51 6.551 5.585 -1.306 1.00 0.31 H new ATOM 807 N TYR A 52 12.197 5.285 -2.905 1.00 0.22 N ATOM 808 CA TYR A 52 11.961 4.162 -1.946 1.00 0.22 C ATOM 809 C TYR A 52 13.277 3.448 -1.620 1.00 0.23 C ATOM 810 O TYR A 52 13.444 2.910 -0.547 1.00 0.27 O ATOM 811 CB TYR A 52 11.006 3.193 -2.646 1.00 0.24 C ATOM 812 CG TYR A 52 10.756 2.028 -1.721 1.00 0.25 C ATOM 813 CD1 TYR A 52 9.904 2.188 -0.625 1.00 0.26 C ATOM 814 CD2 TYR A 52 11.395 0.801 -1.939 1.00 0.35 C ATOM 815 CE1 TYR A 52 9.685 1.125 0.255 1.00 0.30 C ATOM 816 CE2 TYR A 52 11.174 -0.266 -1.059 1.00 0.38 C ATOM 817 CZ TYR A 52 10.319 -0.103 0.040 1.00 0.33 C ATOM 818 OH TYR A 52 10.103 -1.153 0.911 1.00 0.39 O ATOM 0 H TYR A 52 11.662 5.235 -3.772 1.00 0.22 H new ATOM 0 HA TYR A 52 11.546 4.531 -1.008 1.00 0.22 H new ATOM 0 HB2 TYR A 52 10.069 3.693 -2.890 1.00 0.24 H new ATOM 0 HB3 TYR A 52 11.437 2.847 -3.586 1.00 0.24 H new ATOM 0 HD1 TYR A 52 9.414 3.136 -0.458 1.00 0.26 H new ATOM 0 HD2 TYR A 52 12.057 0.678 -2.784 1.00 0.35 H new ATOM 0 HE1 TYR A 52 9.026 1.252 1.101 1.00 0.30 H new ATOM 0 HE2 TYR A 52 11.662 -1.215 -1.227 1.00 0.38 H new ATOM 0 HH TYR A 52 10.839 -1.199 1.557 1.00 0.39 H new ATOM 828 N CYS A 53 14.203 3.447 -2.539 1.00 0.25 N ATOM 829 CA CYS A 53 15.513 2.779 -2.300 1.00 0.29 C ATOM 830 C CYS A 53 16.272 3.515 -1.192 1.00 0.31 C ATOM 831 O CYS A 53 16.461 3.006 -0.103 1.00 0.35 O ATOM 832 CB CYS A 53 16.234 2.912 -3.641 1.00 0.31 C ATOM 833 SG CYS A 53 17.792 1.992 -3.595 1.00 0.41 S ATOM 0 H CYS A 53 14.106 3.885 -3.455 1.00 0.25 H new ATOM 0 HA CYS A 53 15.423 1.741 -1.979 1.00 0.29 H new ATOM 0 HB2 CYS A 53 15.601 2.533 -4.443 1.00 0.31 H new ATOM 0 HB3 CYS A 53 16.428 3.963 -3.857 1.00 0.31 H new ATOM 0 HG CYS A 53 18.398 2.108 -4.739 1.00 0.41 H new ATOM 839 N GLN A 54 16.704 4.710 -1.485 1.00 0.30 N ATOM 840 CA GLN A 54 17.462 5.534 -0.492 1.00 0.34 C ATOM 841 C GLN A 54 16.698 5.688 0.839 1.00 0.32 C ATOM 842 O GLN A 54 17.289 5.607 1.902 1.00 0.37 O ATOM 843 CB GLN A 54 17.675 6.907 -1.161 1.00 0.36 C ATOM 844 CG GLN A 54 16.443 7.341 -1.981 1.00 0.33 C ATOM 845 CD GLN A 54 16.885 7.737 -3.393 1.00 0.39 C ATOM 846 OE1 GLN A 54 16.501 8.776 -3.892 1.00 0.47 O ATOM 847 NE2 GLN A 54 17.680 6.947 -4.067 1.00 0.43 N ATOM 0 H GLN A 54 16.562 5.162 -2.388 1.00 0.30 H new ATOM 0 HA GLN A 54 18.406 5.053 -0.236 1.00 0.34 H new ATOM 0 HB2 GLN A 54 17.885 7.655 -0.397 1.00 0.36 H new ATOM 0 HB3 GLN A 54 18.548 6.863 -1.812 1.00 0.36 H new ATOM 0 HG2 GLN A 54 15.720 6.527 -2.029 1.00 0.33 H new ATOM 0 HG3 GLN A 54 15.946 8.181 -1.495 1.00 0.33 H new ATOM 0 HE21 GLN A 54 18.004 6.074 -3.651 1.00 0.43 H new ATOM 0 HE22 GLN A 54 17.976 7.204 -5.009 1.00 0.43 H new ATOM 856 N GLN A 55 15.402 5.918 0.805 1.00 0.27 N ATOM 857 CA GLN A 55 14.646 6.085 2.094 1.00 0.26 C ATOM 858 C GLN A 55 14.571 4.761 2.874 1.00 0.26 C ATOM 859 O GLN A 55 14.663 4.759 4.085 1.00 0.33 O ATOM 860 CB GLN A 55 13.240 6.594 1.729 1.00 0.26 C ATOM 861 CG GLN A 55 12.547 5.637 0.759 1.00 0.23 C ATOM 862 CD GLN A 55 11.410 4.907 1.469 1.00 0.22 C ATOM 863 OE1 GLN A 55 11.596 4.360 2.537 1.00 0.29 O ATOM 864 NE2 GLN A 55 10.232 4.873 0.911 1.00 0.23 N ATOM 0 H GLN A 55 14.843 5.996 -0.044 1.00 0.27 H new ATOM 0 HA GLN A 55 15.155 6.795 2.745 1.00 0.26 H new ATOM 0 HB2 GLN A 55 12.641 6.698 2.633 1.00 0.26 H new ATOM 0 HB3 GLN A 55 13.313 7.584 1.279 1.00 0.26 H new ATOM 0 HG2 GLN A 55 12.157 6.191 -0.095 1.00 0.23 H new ATOM 0 HG3 GLN A 55 13.266 4.916 0.370 1.00 0.23 H new ATOM 0 HE21 GLN A 55 10.079 5.334 0.014 1.00 0.23 H new ATOM 0 HE22 GLN A 55 9.463 4.386 1.372 1.00 0.23 H new ATOM 873 N MET A 56 14.417 3.638 2.204 1.00 0.24 N ATOM 874 CA MET A 56 14.355 2.334 2.943 1.00 0.27 C ATOM 875 C MET A 56 15.706 2.046 3.609 1.00 0.32 C ATOM 876 O MET A 56 15.766 1.503 4.694 1.00 0.40 O ATOM 877 CB MET A 56 14.058 1.265 1.898 1.00 0.28 C ATOM 878 CG MET A 56 12.636 0.740 2.101 1.00 0.40 C ATOM 879 SD MET A 56 12.700 -0.899 2.871 1.00 0.72 S ATOM 880 CE MET A 56 13.496 -1.777 1.502 1.00 0.73 C ATOM 0 H MET A 56 14.333 3.569 1.190 1.00 0.24 H new ATOM 0 HA MET A 56 13.593 2.355 3.722 1.00 0.27 H new ATOM 0 HB2 MET A 56 14.165 1.680 0.896 1.00 0.28 H new ATOM 0 HB3 MET A 56 14.775 0.448 1.983 1.00 0.28 H new ATOM 0 HG2 MET A 56 12.070 1.427 2.730 1.00 0.40 H new ATOM 0 HG3 MET A 56 12.118 0.684 1.144 1.00 0.40 H new ATOM 0 HE1 MET A 56 13.202 -2.826 1.523 1.00 0.73 H new ATOM 0 HE2 MET A 56 13.187 -1.332 0.556 1.00 0.73 H new ATOM 0 HE3 MET A 56 14.579 -1.702 1.602 1.00 0.73 H new ATOM 890 N MET A 57 16.788 2.419 2.961 1.00 0.35 N ATOM 891 CA MET A 57 18.146 2.184 3.548 1.00 0.45 C ATOM 892 C MET A 57 18.261 2.892 4.903 1.00 0.49 C ATOM 893 O MET A 57 18.868 2.383 5.827 1.00 0.60 O ATOM 894 CB MET A 57 19.129 2.784 2.535 1.00 0.51 C ATOM 895 CG MET A 57 19.313 1.817 1.359 1.00 0.54 C ATOM 896 SD MET A 57 20.953 1.051 1.452 1.00 0.83 S ATOM 897 CE MET A 57 20.791 -0.023 0.003 1.00 2.00 C ATOM 0 H MET A 57 16.787 2.877 2.049 1.00 0.35 H new ATOM 0 HA MET A 57 18.346 1.127 3.724 1.00 0.45 H new ATOM 0 HB2 MET A 57 18.756 3.743 2.175 1.00 0.51 H new ATOM 0 HB3 MET A 57 20.089 2.976 3.015 1.00 0.51 H new ATOM 0 HG2 MET A 57 18.540 1.049 1.382 1.00 0.54 H new ATOM 0 HG3 MET A 57 19.203 2.351 0.415 1.00 0.54 H new ATOM 0 HE1 MET A 57 21.708 -0.598 -0.128 1.00 2.00 H new ATOM 0 HE2 MET A 57 19.953 -0.705 0.147 1.00 2.00 H new ATOM 0 HE3 MET A 57 20.615 0.586 -0.883 1.00 2.00 H new ATOM 907 N GLN A 58 17.669 4.056 5.032 1.00 0.45 N ATOM 908 CA GLN A 58 17.726 4.791 6.335 1.00 0.53 C ATOM 909 C GLN A 58 16.464 4.517 7.172 1.00 0.53 C ATOM 910 O GLN A 58 16.357 4.964 8.299 1.00 0.62 O ATOM 911 CB GLN A 58 17.801 6.272 5.955 1.00 0.58 C ATOM 912 CG GLN A 58 19.263 6.677 5.744 1.00 0.69 C ATOM 913 CD GLN A 58 19.649 6.464 4.278 1.00 0.82 C ATOM 914 OE1 GLN A 58 20.221 5.451 3.930 1.00 1.10 O ATOM 915 NE2 GLN A 58 19.358 7.384 3.398 1.00 1.00 N ATOM 0 H GLN A 58 17.150 4.528 4.292 1.00 0.45 H new ATOM 0 HA GLN A 58 18.577 4.477 6.939 1.00 0.53 H new ATOM 0 HB2 GLN A 58 17.228 6.454 5.045 1.00 0.58 H new ATOM 0 HB3 GLN A 58 17.354 6.882 6.740 1.00 0.58 H new ATOM 0 HG2 GLN A 58 19.405 7.722 6.020 1.00 0.69 H new ATOM 0 HG3 GLN A 58 19.911 6.086 6.391 1.00 0.69 H new ATOM 0 HE21 GLN A 58 18.878 8.235 3.690 1.00 1.00 H new ATOM 0 HE22 GLN A 58 19.611 7.251 2.419 1.00 1.00 H new ATOM 924 N ALA A 59 15.515 3.778 6.641 1.00 0.47 N ATOM 925 CA ALA A 59 14.272 3.474 7.409 1.00 0.50 C ATOM 926 C ALA A 59 14.345 2.046 7.951 1.00 0.53 C ATOM 927 O ALA A 59 14.302 1.831 9.147 1.00 0.62 O ATOM 928 CB ALA A 59 13.134 3.604 6.392 1.00 0.46 C ATOM 0 H ALA A 59 15.553 3.373 5.705 1.00 0.47 H new ATOM 0 HA ALA A 59 14.130 4.140 8.260 1.00 0.50 H new ATOM 0 HB1 ALA A 59 12.183 3.395 6.882 1.00 0.46 H new ATOM 0 HB2 ALA A 59 13.120 4.617 5.989 1.00 0.46 H new ATOM 0 HB3 ALA A 59 13.288 2.893 5.580 1.00 0.46 H new ATOM 934 N ARG A 60 14.483 1.077 7.067 1.00 0.49 N ATOM 935 CA ARG A 60 14.589 -0.356 7.488 1.00 0.57 C ATOM 936 C ARG A 60 13.632 -0.656 8.657 1.00 0.63 C ATOM 937 O ARG A 60 14.024 -1.187 9.681 1.00 0.76 O ATOM 938 CB ARG A 60 16.060 -0.507 7.889 1.00 0.64 C ATOM 939 CG ARG A 60 16.337 -1.935 8.372 1.00 0.75 C ATOM 940 CD ARG A 60 17.604 -2.467 7.697 1.00 0.90 C ATOM 941 NE ARG A 60 17.145 -3.030 6.394 1.00 1.04 N ATOM 942 CZ ARG A 60 17.349 -2.370 5.284 1.00 1.10 C ATOM 943 NH1 ARG A 60 18.560 -2.262 4.802 1.00 1.41 N ATOM 944 NH2 ARG A 60 16.342 -1.820 4.656 1.00 1.15 N ATOM 0 H ARG A 60 14.527 1.226 6.059 1.00 0.49 H new ATOM 0 HA ARG A 60 14.305 -1.059 6.705 1.00 0.57 H new ATOM 0 HB2 ARG A 60 16.701 -0.273 7.039 1.00 0.64 H new ATOM 0 HB3 ARG A 60 16.304 0.205 8.678 1.00 0.64 H new ATOM 0 HG2 ARG A 60 16.457 -1.947 9.455 1.00 0.75 H new ATOM 0 HG3 ARG A 60 15.490 -2.580 8.138 1.00 0.75 H new ATOM 0 HD2 ARG A 60 18.334 -1.672 7.547 1.00 0.90 H new ATOM 0 HD3 ARG A 60 18.085 -3.230 8.308 1.00 0.90 H new ATOM 0 HE ARG A 60 16.671 -3.933 6.369 1.00 1.04 H new ATOM 0 HH11 ARG A 60 19.344 -2.692 5.292 1.00 1.41 H new ATOM 0 HH12 ARG A 60 18.720 -1.747 3.936 1.00 1.41 H new ATOM 0 HH21 ARG A 60 15.398 -1.906 5.032 1.00 1.15 H new ATOM 0 HH22 ARG A 60 16.501 -1.305 3.790 1.00 1.15 H new ATOM 958 N GLU A 61 12.376 -0.304 8.508 1.00 0.60 N ATOM 959 CA GLU A 61 11.384 -0.550 9.601 1.00 0.69 C ATOM 960 C GLU A 61 9.951 -0.412 9.067 1.00 0.65 C ATOM 961 O GLU A 61 9.724 0.193 8.037 1.00 0.62 O ATOM 962 CB GLU A 61 11.676 0.534 10.649 1.00 0.81 C ATOM 963 CG GLU A 61 11.174 1.898 10.145 1.00 0.92 C ATOM 964 CD GLU A 61 11.872 3.046 10.894 1.00 1.02 C ATOM 965 OE1 GLU A 61 12.887 2.802 11.530 1.00 1.22 O ATOM 966 OE2 GLU A 61 11.378 4.158 10.813 1.00 1.84 O ATOM 0 H GLU A 61 11.996 0.144 7.674 1.00 0.60 H new ATOM 0 HA GLU A 61 11.468 -1.555 10.015 1.00 0.69 H new ATOM 0 HB2 GLU A 61 11.188 0.282 11.591 1.00 0.81 H new ATOM 0 HB3 GLU A 61 12.747 0.581 10.847 1.00 0.81 H new ATOM 0 HG2 GLU A 61 11.363 1.988 9.075 1.00 0.92 H new ATOM 0 HG3 GLU A 61 10.095 1.968 10.285 1.00 0.92 H new ATOM 973 N LEU A 62 8.989 -0.960 9.778 1.00 0.73 N ATOM 974 CA LEU A 62 7.553 -0.871 9.354 1.00 0.75 C ATOM 975 C LEU A 62 7.331 -1.515 7.970 1.00 0.65 C ATOM 976 O LEU A 62 6.907 -2.652 7.879 1.00 0.70 O ATOM 977 CB LEU A 62 7.223 0.627 9.338 1.00 0.83 C ATOM 978 CG LEU A 62 5.704 0.814 9.312 1.00 0.94 C ATOM 979 CD1 LEU A 62 5.307 1.936 10.274 1.00 1.16 C ATOM 980 CD2 LEU A 62 5.259 1.179 7.895 1.00 0.90 C ATOM 0 H LEU A 62 9.142 -1.472 10.647 1.00 0.73 H new ATOM 0 HA LEU A 62 6.900 -1.416 10.036 1.00 0.75 H new ATOM 0 HB2 LEU A 62 7.645 1.113 10.218 1.00 0.83 H new ATOM 0 HB3 LEU A 62 7.674 1.100 8.466 1.00 0.83 H new ATOM 0 HG LEU A 62 5.221 -0.114 9.619 1.00 0.94 H new ATOM 0 HD11 LEU A 62 4.225 2.067 10.253 1.00 1.16 H new ATOM 0 HD12 LEU A 62 5.622 1.677 11.285 1.00 1.16 H new ATOM 0 HD13 LEU A 62 5.791 2.864 9.970 1.00 1.16 H new ATOM 0 HD21 LEU A 62 4.177 1.312 7.876 1.00 0.90 H new ATOM 0 HD22 LEU A 62 5.744 2.106 7.589 1.00 0.90 H new ATOM 0 HD23 LEU A 62 5.538 0.379 7.209 1.00 0.90 H new ATOM 992 N GLU A 63 7.603 -0.804 6.898 1.00 0.59 N ATOM 993 CA GLU A 63 7.394 -1.384 5.538 1.00 0.52 C ATOM 994 C GLU A 63 8.738 -1.764 4.901 1.00 0.46 C ATOM 995 O GLU A 63 9.581 -0.920 4.662 1.00 0.53 O ATOM 996 CB GLU A 63 6.708 -0.273 4.734 1.00 0.49 C ATOM 997 CG GLU A 63 5.731 -0.892 3.731 1.00 0.56 C ATOM 998 CD GLU A 63 6.511 -1.685 2.677 1.00 0.55 C ATOM 999 OE1 GLU A 63 7.154 -1.060 1.850 1.00 0.59 O ATOM 1000 OE2 GLU A 63 6.456 -2.903 2.719 1.00 0.70 O ATOM 0 H GLU A 63 7.960 0.151 6.910 1.00 0.59 H new ATOM 0 HA GLU A 63 6.796 -2.295 5.568 1.00 0.52 H new ATOM 0 HB2 GLU A 63 6.176 0.401 5.406 1.00 0.49 H new ATOM 0 HB3 GLU A 63 7.454 0.324 4.209 1.00 0.49 H new ATOM 0 HG2 GLU A 63 5.029 -1.547 4.248 1.00 0.56 H new ATOM 0 HG3 GLU A 63 5.143 -0.110 3.251 1.00 0.56 H new ATOM 1007 N LEU A 64 8.936 -3.030 4.626 1.00 0.51 N ATOM 1008 CA LEU A 64 10.218 -3.478 4.004 1.00 0.52 C ATOM 1009 C LEU A 64 9.936 -4.334 2.763 1.00 0.54 C ATOM 1010 O LEU A 64 9.160 -5.269 2.809 1.00 0.64 O ATOM 1011 CB LEU A 64 10.913 -4.312 5.084 1.00 0.66 C ATOM 1012 CG LEU A 64 12.365 -4.583 4.675 1.00 0.78 C ATOM 1013 CD1 LEU A 64 13.246 -4.638 5.926 1.00 0.90 C ATOM 1014 CD2 LEU A 64 12.448 -5.921 3.934 1.00 0.93 C ATOM 0 H LEU A 64 8.262 -3.774 4.807 1.00 0.51 H new ATOM 0 HA LEU A 64 10.833 -2.639 3.677 1.00 0.52 H new ATOM 0 HB2 LEU A 64 10.886 -3.784 6.037 1.00 0.66 H new ATOM 0 HB3 LEU A 64 10.383 -5.254 5.226 1.00 0.66 H new ATOM 0 HG LEU A 64 12.712 -3.784 4.020 1.00 0.78 H new ATOM 0 HD11 LEU A 64 14.279 -4.831 5.636 1.00 0.90 H new ATOM 0 HD12 LEU A 64 13.189 -3.686 6.453 1.00 0.90 H new ATOM 0 HD13 LEU A 64 12.898 -5.437 6.581 1.00 0.90 H new ATOM 0 HD21 LEU A 64 13.481 -6.113 3.644 1.00 0.93 H new ATOM 0 HD22 LEU A 64 12.100 -6.721 4.588 1.00 0.93 H new ATOM 0 HD23 LEU A 64 11.822 -5.883 3.043 1.00 0.93 H new ATOM 1026 N GLU A 65 10.569 -4.022 1.659 1.00 0.54 N ATOM 1027 CA GLU A 65 10.353 -4.816 0.411 1.00 0.62 C ATOM 1028 C GLU A 65 11.705 -5.250 -0.167 1.00 0.70 C ATOM 1029 O GLU A 65 12.393 -4.476 -0.807 1.00 0.80 O ATOM 1030 CB GLU A 65 9.628 -3.873 -0.556 1.00 0.63 C ATOM 1031 CG GLU A 65 8.188 -3.652 -0.076 1.00 0.66 C ATOM 1032 CD GLU A 65 7.467 -2.693 -1.029 1.00 0.80 C ATOM 1033 OE1 GLU A 65 7.772 -1.512 -0.998 1.00 0.79 O ATOM 1034 OE2 GLU A 65 6.620 -3.156 -1.772 1.00 1.14 O ATOM 0 H GLU A 65 11.228 -3.249 1.569 1.00 0.54 H new ATOM 0 HA GLU A 65 9.773 -5.721 0.592 1.00 0.62 H new ATOM 0 HB2 GLU A 65 10.153 -2.920 -0.613 1.00 0.63 H new ATOM 0 HB3 GLU A 65 9.626 -4.297 -1.560 1.00 0.63 H new ATOM 0 HG2 GLU A 65 7.659 -4.604 -0.033 1.00 0.66 H new ATOM 0 HG3 GLU A 65 8.190 -3.243 0.934 1.00 0.66 H new ATOM 1041 N HIS A 66 12.089 -6.486 0.064 1.00 1.00 N ATOM 1042 CA HIS A 66 13.399 -6.997 -0.457 1.00 1.13 C ATOM 1043 C HIS A 66 14.564 -6.133 0.069 1.00 0.94 C ATOM 1044 O HIS A 66 14.679 -6.007 1.277 1.00 1.31 O ATOM 1045 CB HIS A 66 13.277 -6.923 -1.990 1.00 1.32 C ATOM 1046 CG HIS A 66 14.074 -8.038 -2.612 1.00 1.72 C ATOM 1047 ND1 HIS A 66 13.484 -9.030 -3.382 1.00 2.36 N ATOM 1048 CD2 HIS A 66 15.415 -8.332 -2.586 1.00 2.13 C ATOM 1049 CE1 HIS A 66 14.460 -9.865 -3.784 1.00 2.59 C ATOM 1050 NE2 HIS A 66 15.656 -9.485 -3.325 1.00 2.43 N ATOM 1051 OXT HIS A 66 15.323 -5.617 -0.739 1.00 1.00 O ATOM 0 H HIS A 66 11.546 -7.167 0.595 1.00 1.00 H new ATOM 0 HA HIS A 66 13.611 -8.014 -0.128 1.00 1.13 H new ATOM 0 HB2 HIS A 66 12.231 -7.000 -2.286 1.00 1.32 H new ATOM 0 HB3 HIS A 66 13.639 -5.959 -2.348 1.00 1.32 H new ATOM 0 HD2 HIS A 66 16.168 -7.755 -2.070 1.00 2.13 H new ATOM 0 HE1 HIS A 66 14.297 -10.736 -4.402 1.00 2.59 H new ATOM 0 HE2 HIS A 66 16.554 -9.943 -3.483 1.00 2.43 H new TER 1059 HIS A 66