USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 35 CYS SG : rot -136:sc= 1.16! USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 1.3 (180deg=0.574) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00136 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl -142:sc= -0.36 (180deg=-3.78!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.914 K(o=0.91,f=-0.45) USER MOD Single : A 13 TYR OH : rot -156:sc= 1.3 USER MOD Single : A 14 MET CE :methyl 139:sc= -0.244 (180deg=-0.917) USER MOD Single : A 22 SER OG : rot 38:sc= 0.143 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -45:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -110:sc= -2.84! (180deg=-3.82!) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.807 (180deg=0.621) USER MOD Single : A 43 SER OG : rot 51:sc= 1.13 USER MOD Single : A 44 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 47 GLN : amide:sc= -0.119 K(o=-0.12,f=-4.4!) USER MOD Single : A 53 SER OG : rot 116:sc= 0.891 USER MOD Single : A 54 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.022) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 21:sc= -1.92! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.840 -6.486 2.142 1.00 0.00 N ATOM 2 CA GLY A 1 -16.340 -5.089 2.151 1.00 0.00 C ATOM 3 C GLY A 1 -15.230 -4.099 2.429 1.00 0.00 C ATOM 4 O GLY A 1 -14.421 -4.301 3.337 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.289 -7.011 1.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.809 -6.485 2.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.071 -6.943 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.799 -4.861 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.118 -4.986 2.908 1.00 0.00 H new ATOM 8 N SER A 2 -15.185 -3.031 1.646 1.00 0.00 N ATOM 9 CA SER A 2 -14.119 -2.045 1.752 1.00 0.00 C ATOM 10 C SER A 2 -14.379 -1.058 2.888 1.00 0.00 C ATOM 11 O SER A 2 -15.445 -0.442 2.965 1.00 0.00 O ATOM 12 CB SER A 2 -13.985 -1.292 0.430 1.00 0.00 C ATOM 13 OG SER A 2 -13.801 -2.187 -0.654 1.00 0.00 O ATOM 0 H SER A 2 -15.878 -2.824 0.927 1.00 0.00 H new ATOM 0 HA SER A 2 -13.191 -2.572 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.877 -0.689 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.141 -0.604 0.484 1.00 0.00 H new ATOM 0 HG SER A 2 -13.720 -1.679 -1.488 1.00 0.00 H new ATOM 19 N LEU A 3 -13.395 -0.913 3.763 1.00 0.00 N ATOM 20 CA LEU A 3 -13.475 0.052 4.852 1.00 0.00 C ATOM 21 C LEU A 3 -12.996 1.418 4.377 1.00 0.00 C ATOM 22 O LEU A 3 -13.502 2.447 4.818 1.00 0.00 O ATOM 23 CB LEU A 3 -12.633 -0.393 6.058 1.00 0.00 C ATOM 24 CG LEU A 3 -13.111 -1.655 6.797 1.00 0.00 C ATOM 25 CD1 LEU A 3 -14.598 -1.571 7.110 1.00 0.00 C ATOM 26 CD2 LEU A 3 -12.792 -2.913 6.003 1.00 0.00 C ATOM 0 H LEU A 3 -12.529 -1.452 3.741 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.518 0.115 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.611 -0.563 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.599 0.429 6.773 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.570 -1.713 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.911 -2.475 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.789 -0.703 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.160 -1.475 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.142 -3.788 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.290 -2.868 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.715 -2.986 5.854 1.00 0.00 H new ATOM 38 N ASN A 4 -12.024 1.397 3.460 1.00 0.00 N ATOM 39 CA ASN A 4 -11.413 2.614 2.913 1.00 0.00 C ATOM 40 C ASN A 4 -10.651 3.376 3.989 1.00 0.00 C ATOM 41 O ASN A 4 -11.107 4.402 4.490 1.00 0.00 O ATOM 42 CB ASN A 4 -12.444 3.534 2.247 1.00 0.00 C ATOM 43 CG ASN A 4 -12.999 2.969 0.954 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.422 3.156 -0.117 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.128 2.282 1.038 1.00 0.00 N ATOM 0 H ASN A 4 -11.638 0.535 3.075 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.712 2.291 2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.266 3.711 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.983 4.501 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.548 1.887 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.577 2.148 1.944 1.00 0.00 H new ATOM 52 N MET A 5 -9.495 2.846 4.354 1.00 0.00 N ATOM 53 CA MET A 5 -8.646 3.447 5.350 1.00 0.00 C ATOM 54 C MET A 5 -7.400 4.038 4.699 1.00 0.00 C ATOM 55 O MET A 5 -6.682 3.347 3.980 1.00 0.00 O ATOM 56 CB MET A 5 -8.260 2.379 6.362 1.00 0.00 C ATOM 57 CG MET A 5 -9.406 1.952 7.268 1.00 0.00 C ATOM 58 SD MET A 5 -9.004 0.498 8.255 1.00 0.00 S ATOM 59 CE MET A 5 -8.653 -0.687 6.956 1.00 0.00 C ATOM 0 H MET A 5 -9.124 1.981 3.961 1.00 0.00 H new ATOM 0 HA MET A 5 -9.178 4.256 5.851 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.885 1.505 5.829 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.442 2.753 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.666 2.777 7.932 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.286 1.742 6.660 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.036 -1.666 7.244 1.00 0.00 H new ATOM 0 HE2 MET A 5 -9.134 -0.367 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.576 -0.750 6.802 1.00 0.00 H new ATOM 69 N PRO A 6 -7.142 5.329 4.915 1.00 0.00 N ATOM 70 CA PRO A 6 -5.966 5.998 4.364 1.00 0.00 C ATOM 71 C PRO A 6 -4.686 5.573 5.078 1.00 0.00 C ATOM 72 O PRO A 6 -4.626 5.554 6.308 1.00 0.00 O ATOM 73 CB PRO A 6 -6.241 7.490 4.605 1.00 0.00 C ATOM 74 CG PRO A 6 -7.658 7.573 5.079 1.00 0.00 C ATOM 75 CD PRO A 6 -7.968 6.246 5.703 1.00 0.00 C ATOM 0 HA PRO A 6 -5.814 5.752 3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.556 7.899 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.100 8.066 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.781 8.381 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.334 7.781 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.705 6.223 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.028 6.001 5.632 1.00 0.00 H new ATOM 83 N ALA A 7 -3.665 5.238 4.302 1.00 0.00 N ATOM 84 CA ALA A 7 -2.400 4.796 4.866 1.00 0.00 C ATOM 85 C ALA A 7 -1.237 5.508 4.202 1.00 0.00 C ATOM 86 O ALA A 7 -1.127 5.537 2.978 1.00 0.00 O ATOM 87 CB ALA A 7 -2.245 3.292 4.727 1.00 0.00 C ATOM 0 H ALA A 7 -3.689 5.264 3.283 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.399 5.047 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.292 2.983 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.058 2.792 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.274 3.019 3.672 1.00 0.00 H new ATOM 93 N TYR A 8 -0.376 6.077 5.021 1.00 0.00 N ATOM 94 CA TYR A 8 0.767 6.836 4.547 1.00 0.00 C ATOM 95 C TYR A 8 1.909 5.892 4.181 1.00 0.00 C ATOM 96 O TYR A 8 2.168 4.929 4.898 1.00 0.00 O ATOM 97 CB TYR A 8 1.219 7.809 5.642 1.00 0.00 C ATOM 98 CG TYR A 8 0.092 8.639 6.219 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.802 9.323 5.399 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.068 8.747 7.595 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.820 10.087 5.939 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.087 9.506 8.137 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.958 10.173 7.305 1.00 0.00 C ATOM 104 OH TYR A 8 -2.972 10.938 7.842 1.00 0.00 O ATOM 0 H TYR A 8 -0.448 6.027 6.037 1.00 0.00 H new ATOM 0 HA TYR A 8 0.483 7.399 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.691 7.244 6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.978 8.476 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.699 9.256 4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.615 8.229 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.504 10.614 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.200 9.576 9.209 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.933 10.893 8.820 1.00 0.00 H new ATOM 114 N VAL A 9 2.578 6.160 3.070 1.00 0.00 N ATOM 115 CA VAL A 9 3.696 5.326 2.638 1.00 0.00 C ATOM 116 C VAL A 9 4.979 5.747 3.348 1.00 0.00 C ATOM 117 O VAL A 9 5.385 6.910 3.289 1.00 0.00 O ATOM 118 CB VAL A 9 3.920 5.384 1.115 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.125 4.548 0.726 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.691 4.902 0.363 1.00 0.00 C ATOM 0 H VAL A 9 2.370 6.944 2.452 1.00 0.00 H new ATOM 0 HA VAL A 9 3.440 4.300 2.902 1.00 0.00 H new ATOM 0 HB VAL A 9 4.104 6.423 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.270 4.599 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.012 4.932 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.960 3.512 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.877 4.954 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.473 3.872 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.839 5.534 0.614 1.00 0.00 H new ATOM 130 N LYS A 10 5.614 4.785 4.000 1.00 0.00 N ATOM 131 CA LYS A 10 6.800 5.049 4.811 1.00 0.00 C ATOM 132 C LYS A 10 8.079 4.969 3.988 1.00 0.00 C ATOM 133 O LYS A 10 9.018 5.732 4.215 1.00 0.00 O ATOM 134 CB LYS A 10 6.893 4.064 5.978 1.00 0.00 C ATOM 135 CG LYS A 10 5.673 4.055 6.884 1.00 0.00 C ATOM 136 CD LYS A 10 5.982 3.376 8.212 1.00 0.00 C ATOM 137 CE LYS A 10 6.344 1.910 8.036 1.00 0.00 C ATOM 138 NZ LYS A 10 6.752 1.287 9.323 1.00 0.00 N ATOM 0 H LYS A 10 5.327 3.806 3.985 1.00 0.00 H new ATOM 0 HA LYS A 10 6.697 6.064 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.044 3.060 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.773 4.306 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.342 5.078 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.852 3.536 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.806 3.896 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.117 3.459 8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.490 1.371 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.156 1.819 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.992 0.287 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.582 1.786 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.968 1.351 10.004 1.00 0.00 H new ATOM 152 N PHE A 11 8.126 4.033 3.049 1.00 0.00 N ATOM 153 CA PHE A 11 9.315 3.831 2.231 1.00 0.00 C ATOM 154 C PHE A 11 8.921 3.644 0.772 1.00 0.00 C ATOM 155 O PHE A 11 7.862 3.096 0.481 1.00 0.00 O ATOM 156 CB PHE A 11 10.109 2.610 2.712 1.00 0.00 C ATOM 157 CG PHE A 11 10.642 2.738 4.113 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.820 3.429 4.357 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.970 2.166 5.181 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.315 3.546 5.641 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.462 2.280 6.467 1.00 0.00 C ATOM 162 CZ PHE A 11 11.635 2.972 6.697 1.00 0.00 C ATOM 0 H PHE A 11 7.354 3.401 2.835 1.00 0.00 H new ATOM 0 HA PHE A 11 9.946 4.715 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.469 1.729 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.943 2.441 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.355 3.880 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.052 1.625 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.233 4.086 5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.930 1.829 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.020 3.064 7.702 1.00 0.00 H new ATOM 172 N ASN A 12 9.769 4.110 -0.136 1.00 0.00 N ATOM 173 CA ASN A 12 9.501 3.978 -1.563 1.00 0.00 C ATOM 174 C ASN A 12 9.583 2.516 -1.984 1.00 0.00 C ATOM 175 O ASN A 12 10.563 1.829 -1.704 1.00 0.00 O ATOM 176 CB ASN A 12 10.468 4.843 -2.388 1.00 0.00 C ATOM 177 CG ASN A 12 11.931 4.524 -2.143 1.00 0.00 C ATOM 178 OD1 ASN A 12 12.534 5.038 -1.200 1.00 0.00 O ATOM 179 ND2 ASN A 12 12.520 3.708 -3.004 1.00 0.00 N ATOM 0 H ASN A 12 10.645 4.581 0.089 1.00 0.00 H new ATOM 0 HA ASN A 12 8.490 4.336 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.248 4.709 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.290 5.893 -2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.510 3.484 -2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.984 3.303 -3.772 1.00 0.00 H new ATOM 186 N TYR A 13 8.538 2.044 -2.642 1.00 0.00 N ATOM 187 CA TYR A 13 8.452 0.651 -3.036 1.00 0.00 C ATOM 188 C TYR A 13 8.102 0.545 -4.514 1.00 0.00 C ATOM 189 O TYR A 13 6.949 0.730 -4.908 1.00 0.00 O ATOM 190 CB TYR A 13 7.402 -0.069 -2.184 1.00 0.00 C ATOM 191 CG TYR A 13 7.323 -1.559 -2.430 1.00 0.00 C ATOM 192 CD1 TYR A 13 8.320 -2.407 -1.967 1.00 0.00 C ATOM 193 CD2 TYR A 13 6.254 -2.117 -3.122 1.00 0.00 C ATOM 194 CE1 TYR A 13 8.258 -3.768 -2.186 1.00 0.00 C ATOM 195 CE2 TYR A 13 6.182 -3.480 -3.345 1.00 0.00 C ATOM 196 CZ TYR A 13 7.189 -4.300 -2.874 1.00 0.00 C ATOM 197 OH TYR A 13 7.124 -5.662 -3.080 1.00 0.00 O ATOM 0 H TYR A 13 7.734 2.609 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 13 9.419 0.175 -2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.624 0.103 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.425 0.373 -2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.159 -1.994 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.467 -1.476 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.043 -4.413 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.345 -3.900 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 13 6.566 -5.848 -3.864 1.00 0.00 H new ATOM 207 N MET A 14 9.106 0.278 -5.326 1.00 0.00 N ATOM 208 CA MET A 14 8.910 0.146 -6.760 1.00 0.00 C ATOM 209 C MET A 14 8.406 -1.250 -7.090 1.00 0.00 C ATOM 210 O MET A 14 9.149 -2.225 -6.991 1.00 0.00 O ATOM 211 CB MET A 14 10.215 0.426 -7.516 1.00 0.00 C ATOM 212 CG MET A 14 10.745 1.845 -7.341 1.00 0.00 C ATOM 213 SD MET A 14 11.357 2.178 -5.671 1.00 0.00 S ATOM 214 CE MET A 14 12.670 0.962 -5.542 1.00 0.00 C ATOM 0 H MET A 14 10.070 0.147 -5.018 1.00 0.00 H new ATOM 0 HA MET A 14 8.167 0.879 -7.075 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.976 -0.278 -7.179 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.055 0.238 -8.578 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.549 2.016 -8.056 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.952 2.554 -7.578 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.532 1.409 -5.048 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.320 0.109 -4.961 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.956 0.628 -6.539 1.00 0.00 H new ATOM 224 N ALA A 15 7.141 -1.338 -7.465 1.00 0.00 N ATOM 225 CA ALA A 15 6.519 -2.617 -7.779 1.00 0.00 C ATOM 226 C ALA A 15 7.002 -3.140 -9.125 1.00 0.00 C ATOM 227 O ALA A 15 7.371 -2.358 -10.008 1.00 0.00 O ATOM 228 CB ALA A 15 5.005 -2.467 -7.788 1.00 0.00 C ATOM 0 H ALA A 15 6.520 -0.535 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 15 6.804 -3.337 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.546 -3.427 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.667 -2.134 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.717 -1.733 -8.540 1.00 0.00 H new ATOM 234 N GLU A 16 7.006 -4.455 -9.279 1.00 0.00 N ATOM 235 CA GLU A 16 7.408 -5.074 -10.533 1.00 0.00 C ATOM 236 C GLU A 16 6.317 -6.003 -11.055 1.00 0.00 C ATOM 237 O GLU A 16 6.084 -6.088 -12.260 1.00 0.00 O ATOM 238 CB GLU A 16 8.715 -5.853 -10.361 1.00 0.00 C ATOM 239 CG GLU A 16 9.917 -4.972 -10.069 1.00 0.00 C ATOM 240 CD GLU A 16 11.204 -5.758 -9.972 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.392 -6.699 -10.770 1.00 0.00 O ATOM 242 OE2 GLU A 16 12.050 -5.426 -9.115 1.00 0.00 O ATOM 0 H GLU A 16 6.735 -5.115 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 16 7.567 -4.277 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.596 -6.570 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.908 -6.427 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.012 -4.222 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.752 -4.436 -9.134 1.00 0.00 H new ATOM 249 N ARG A 17 5.649 -6.685 -10.139 1.00 0.00 N ATOM 250 CA ARG A 17 4.619 -7.646 -10.497 1.00 0.00 C ATOM 251 C ARG A 17 3.266 -6.975 -10.683 1.00 0.00 C ATOM 252 O ARG A 17 3.056 -5.830 -10.276 1.00 0.00 O ATOM 253 CB ARG A 17 4.510 -8.727 -9.427 1.00 0.00 C ATOM 254 CG ARG A 17 5.722 -9.635 -9.347 1.00 0.00 C ATOM 255 CD ARG A 17 6.193 -9.791 -7.915 1.00 0.00 C ATOM 256 NE ARG A 17 5.096 -10.129 -7.006 1.00 0.00 N ATOM 257 CZ ARG A 17 5.236 -10.252 -5.688 1.00 0.00 C ATOM 258 NH1 ARG A 17 6.420 -10.057 -5.124 1.00 0.00 N ATOM 259 NH2 ARG A 17 4.186 -10.539 -4.933 1.00 0.00 N ATOM 0 H ARG A 17 5.803 -6.590 -9.135 1.00 0.00 H new ATOM 0 HA ARG A 17 4.909 -8.098 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.360 -8.252 -8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.626 -9.333 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.476 -10.613 -9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.528 -9.225 -9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.955 -10.569 -7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.663 -8.864 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 17 4.170 -10.279 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.225 -9.812 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.526 -10.152 -4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.269 -10.666 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.294 -10.633 -3.923 1.00 0.00 H new ATOM 273 N GLU A 18 2.356 -7.714 -11.297 1.00 0.00 N ATOM 274 CA GLU A 18 0.999 -7.252 -11.535 1.00 0.00 C ATOM 275 C GLU A 18 0.213 -7.242 -10.229 1.00 0.00 C ATOM 276 O GLU A 18 -0.716 -6.458 -10.053 1.00 0.00 O ATOM 277 CB GLU A 18 0.332 -8.165 -12.567 1.00 0.00 C ATOM 278 CG GLU A 18 -1.111 -7.816 -12.885 1.00 0.00 C ATOM 279 CD GLU A 18 -1.689 -8.725 -13.946 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.641 -9.961 -13.765 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.168 -8.213 -14.980 1.00 0.00 O ATOM 0 H GLU A 18 2.539 -8.655 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 18 1.019 -6.234 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.911 -8.132 -13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.371 -9.192 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.711 -7.889 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.169 -6.781 -13.223 1.00 0.00 H new ATOM 288 N ASP A 19 0.620 -8.102 -9.304 1.00 0.00 N ATOM 289 CA ASP A 19 -0.030 -8.205 -8.003 1.00 0.00 C ATOM 290 C ASP A 19 0.641 -7.293 -6.979 1.00 0.00 C ATOM 291 O ASP A 19 0.468 -7.465 -5.774 1.00 0.00 O ATOM 292 CB ASP A 19 -0.023 -9.659 -7.510 1.00 0.00 C ATOM 293 CG ASP A 19 1.371 -10.265 -7.428 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.890 -10.714 -8.475 1.00 0.00 O ATOM 295 OD2 ASP A 19 1.948 -10.311 -6.324 1.00 0.00 O ATOM 0 H ASP A 19 1.403 -8.743 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.064 -7.881 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.488 -9.703 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.635 -10.264 -8.179 1.00 0.00 H new ATOM 300 N GLU A 20 1.379 -6.305 -7.469 1.00 0.00 N ATOM 301 CA GLU A 20 2.053 -5.349 -6.599 1.00 0.00 C ATOM 302 C GLU A 20 1.553 -3.928 -6.841 1.00 0.00 C ATOM 303 O GLU A 20 0.982 -3.625 -7.891 1.00 0.00 O ATOM 304 CB GLU A 20 3.561 -5.384 -6.812 1.00 0.00 C ATOM 305 CG GLU A 20 4.234 -6.612 -6.242 1.00 0.00 C ATOM 306 CD GLU A 20 5.739 -6.569 -6.413 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.207 -6.496 -7.571 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.457 -6.606 -5.397 1.00 0.00 O ATOM 0 H GLU A 20 1.526 -6.144 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 20 1.824 -5.638 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.768 -5.332 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.002 -4.497 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.992 -6.698 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.839 -7.502 -6.733 1.00 0.00 H new ATOM 315 N LEU A 21 1.790 -3.064 -5.867 1.00 0.00 N ATOM 316 CA LEU A 21 1.437 -1.657 -5.964 1.00 0.00 C ATOM 317 C LEU A 21 2.666 -0.797 -5.704 1.00 0.00 C ATOM 318 O LEU A 21 3.379 -1.004 -4.719 1.00 0.00 O ATOM 319 CB LEU A 21 0.335 -1.315 -4.957 1.00 0.00 C ATOM 320 CG LEU A 21 -0.101 0.154 -4.925 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.665 0.578 -6.274 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.124 0.382 -3.823 1.00 0.00 C ATOM 0 H LEU A 21 2.234 -3.319 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 21 1.066 -1.455 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.538 -1.930 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.678 -1.595 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 21 0.776 0.766 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.968 1.624 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.098 0.454 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.529 -0.040 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.422 1.430 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.999 -0.243 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.685 0.122 -2.860 1.00 0.00 H new ATOM 334 N SER A 22 2.919 0.153 -6.594 1.00 0.00 N ATOM 335 CA SER A 22 4.056 1.052 -6.456 1.00 0.00 C ATOM 336 C SER A 22 3.789 2.100 -5.380 1.00 0.00 C ATOM 337 O SER A 22 2.870 2.913 -5.506 1.00 0.00 O ATOM 338 CB SER A 22 4.356 1.721 -7.800 1.00 0.00 C ATOM 339 OG SER A 22 3.175 2.254 -8.384 1.00 0.00 O ATOM 0 H SER A 22 2.349 0.321 -7.423 1.00 0.00 H new ATOM 0 HA SER A 22 4.926 0.472 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.086 2.518 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.805 0.995 -8.478 1.00 0.00 H new ATOM 0 HG SER A 22 2.609 2.639 -7.683 1.00 0.00 H new ATOM 345 N LEU A 23 4.587 2.069 -4.323 1.00 0.00 N ATOM 346 CA LEU A 23 4.409 2.987 -3.209 1.00 0.00 C ATOM 347 C LEU A 23 5.494 4.059 -3.218 1.00 0.00 C ATOM 348 O LEU A 23 6.643 3.795 -3.575 1.00 0.00 O ATOM 349 CB LEU A 23 4.431 2.239 -1.876 1.00 0.00 C ATOM 350 CG LEU A 23 3.371 1.149 -1.717 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.454 0.527 -0.332 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.981 1.717 -1.965 1.00 0.00 C ATOM 0 H LEU A 23 5.364 1.418 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 23 3.437 3.466 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.415 1.787 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.307 2.963 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 23 3.561 0.371 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.693 -0.247 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.441 0.086 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.288 1.296 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.239 0.927 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.780 2.513 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.927 2.118 -2.977 1.00 0.00 H new ATOM 364 N ILE A 24 5.121 5.264 -2.819 1.00 0.00 N ATOM 365 CA ILE A 24 6.040 6.393 -2.799 1.00 0.00 C ATOM 366 C ILE A 24 6.136 6.968 -1.396 1.00 0.00 C ATOM 367 O ILE A 24 5.136 7.425 -0.842 1.00 0.00 O ATOM 368 CB ILE A 24 5.574 7.516 -3.751 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.481 7.002 -5.191 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.500 8.725 -3.656 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.808 6.546 -5.765 1.00 0.00 C ATOM 0 H ILE A 24 4.178 5.488 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 24 7.012 6.024 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 24 4.578 7.834 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.776 6.171 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.074 7.791 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.153 9.504 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.497 9.106 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.513 8.430 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.661 6.196 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.510 7.379 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.208 5.734 -5.157 1.00 0.00 H new ATOM 383 N LYS A 25 7.322 6.923 -0.810 1.00 0.00 N ATOM 384 CA LYS A 25 7.542 7.561 0.479 1.00 0.00 C ATOM 385 C LYS A 25 7.138 9.025 0.388 1.00 0.00 C ATOM 386 O LYS A 25 7.680 9.774 -0.424 1.00 0.00 O ATOM 387 CB LYS A 25 9.012 7.456 0.891 1.00 0.00 C ATOM 388 CG LYS A 25 9.313 8.118 2.227 1.00 0.00 C ATOM 389 CD LYS A 25 10.799 8.093 2.555 1.00 0.00 C ATOM 390 CE LYS A 25 11.607 8.935 1.580 1.00 0.00 C ATOM 391 NZ LYS A 25 13.049 8.962 1.934 1.00 0.00 N ATOM 0 H LYS A 25 8.140 6.456 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 25 6.937 7.055 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.293 6.404 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.632 7.913 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.964 9.150 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.759 7.610 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.954 8.462 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.159 7.064 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.488 8.537 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.217 9.953 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.565 9.546 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.165 9.365 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.428 7.994 1.919 1.00 0.00 H new ATOM 405 N GLY A 26 6.193 9.423 1.218 1.00 0.00 N ATOM 406 CA GLY A 26 5.697 10.779 1.161 1.00 0.00 C ATOM 407 C GLY A 26 4.288 10.866 0.606 1.00 0.00 C ATOM 408 O GLY A 26 3.742 11.959 0.456 1.00 0.00 O ATOM 0 H GLY A 26 5.760 8.834 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.716 11.210 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.364 11.379 0.543 1.00 0.00 H new ATOM 412 N THR A 27 3.696 9.724 0.284 1.00 0.00 N ATOM 413 CA THR A 27 2.335 9.707 -0.239 1.00 0.00 C ATOM 414 C THR A 27 1.408 8.914 0.673 1.00 0.00 C ATOM 415 O THR A 27 1.800 8.490 1.765 1.00 0.00 O ATOM 416 CB THR A 27 2.272 9.123 -1.669 1.00 0.00 C ATOM 417 OG1 THR A 27 2.709 7.760 -1.663 1.00 0.00 O ATOM 418 CG2 THR A 27 3.145 9.923 -2.624 1.00 0.00 C ATOM 0 H THR A 27 4.130 8.806 0.374 1.00 0.00 H new ATOM 0 HA THR A 27 2.003 10.744 -0.277 1.00 0.00 H new ATOM 0 HB THR A 27 1.237 9.178 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.527 7.681 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.082 9.491 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.800 10.956 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.179 9.896 -2.281 1.00 0.00 H new ATOM 426 N LYS A 28 0.181 8.721 0.219 1.00 0.00 N ATOM 427 CA LYS A 28 -0.834 8.046 1.002 1.00 0.00 C ATOM 428 C LYS A 28 -1.740 7.227 0.089 1.00 0.00 C ATOM 429 O LYS A 28 -2.201 7.724 -0.940 1.00 0.00 O ATOM 430 CB LYS A 28 -1.648 9.085 1.769 1.00 0.00 C ATOM 431 CG LYS A 28 -2.816 8.513 2.552 1.00 0.00 C ATOM 432 CD LYS A 28 -3.737 9.614 3.065 1.00 0.00 C ATOM 433 CE LYS A 28 -4.312 10.451 1.928 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.073 11.628 2.429 1.00 0.00 N ATOM 0 H LYS A 28 -0.137 9.028 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.359 7.368 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.987 9.610 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.027 9.825 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.381 7.830 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.441 7.930 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.552 9.169 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.185 10.260 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.502 10.791 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.967 9.830 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.446 12.169 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.862 11.304 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.443 12.235 2.991 1.00 0.00 H new ATOM 448 N VAL A 29 -1.993 5.979 0.464 1.00 0.00 N ATOM 449 CA VAL A 29 -2.809 5.087 -0.349 1.00 0.00 C ATOM 450 C VAL A 29 -4.150 4.809 0.330 1.00 0.00 C ATOM 451 O VAL A 29 -4.341 5.133 1.505 1.00 0.00 O ATOM 452 CB VAL A 29 -2.083 3.750 -0.638 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.664 4.016 -1.112 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.074 2.840 0.587 1.00 0.00 C ATOM 0 H VAL A 29 -1.644 5.562 1.327 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.986 5.591 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.631 3.235 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.164 3.069 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.691 4.612 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.118 4.559 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.556 1.911 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.560 3.340 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.099 2.618 0.883 1.00 0.00 H new ATOM 464 N ILE A 30 -5.072 4.216 -0.417 1.00 0.00 N ATOM 465 CA ILE A 30 -6.384 3.881 0.113 1.00 0.00 C ATOM 466 C ILE A 30 -6.481 2.382 0.381 1.00 0.00 C ATOM 467 O ILE A 30 -6.608 1.584 -0.550 1.00 0.00 O ATOM 468 CB ILE A 30 -7.505 4.292 -0.865 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.412 5.783 -1.190 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.873 3.958 -0.288 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.660 6.690 -0.001 1.00 0.00 C ATOM 0 H ILE A 30 -4.933 3.957 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.511 4.431 1.045 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.376 3.727 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.423 5.995 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.134 6.020 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.648 4.256 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.940 2.885 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.012 4.493 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.576 7.731 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.660 6.509 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.922 6.484 0.774 1.00 0.00 H new ATOM 483 N VAL A 31 -6.402 2.005 1.647 1.00 0.00 N ATOM 484 CA VAL A 31 -6.500 0.606 2.035 1.00 0.00 C ATOM 485 C VAL A 31 -7.963 0.213 2.210 1.00 0.00 C ATOM 486 O VAL A 31 -8.613 0.608 3.176 1.00 0.00 O ATOM 487 CB VAL A 31 -5.736 0.322 3.345 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.765 -1.165 3.668 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.307 0.827 3.247 1.00 0.00 C ATOM 0 H VAL A 31 -6.270 2.650 2.426 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.047 0.013 1.240 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.230 0.855 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.221 -1.347 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.798 -1.492 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.296 -1.723 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.783 0.618 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.799 0.324 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.313 1.902 3.066 1.00 0.00 H new ATOM 499 N MET A 32 -8.486 -0.544 1.264 1.00 0.00 N ATOM 500 CA MET A 32 -9.888 -0.925 1.296 1.00 0.00 C ATOM 501 C MET A 32 -10.115 -2.120 2.205 1.00 0.00 C ATOM 502 O MET A 32 -10.952 -2.070 3.110 1.00 0.00 O ATOM 503 CB MET A 32 -10.384 -1.235 -0.109 1.00 0.00 C ATOM 504 CG MET A 32 -10.507 -0.004 -0.986 1.00 0.00 C ATOM 505 SD MET A 32 -10.634 -0.418 -2.732 1.00 0.00 S ATOM 506 CE MET A 32 -9.110 -1.336 -2.935 1.00 0.00 C ATOM 0 H MET A 32 -7.965 -0.907 0.466 1.00 0.00 H new ATOM 0 HA MET A 32 -10.453 -0.083 1.696 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.701 -1.942 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.355 -1.725 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.386 0.567 -0.686 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.641 0.639 -0.830 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.415 -0.757 -3.543 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.667 -1.526 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.320 -2.285 -3.429 1.00 0.00 H new ATOM 516 N GLU A 33 -9.367 -3.192 1.965 1.00 0.00 N ATOM 517 CA GLU A 33 -9.517 -4.423 2.728 1.00 0.00 C ATOM 518 C GLU A 33 -8.153 -5.013 3.053 1.00 0.00 C ATOM 519 O GLU A 33 -7.233 -4.969 2.230 1.00 0.00 O ATOM 520 CB GLU A 33 -10.360 -5.434 1.946 1.00 0.00 C ATOM 521 CG GLU A 33 -11.766 -4.942 1.651 1.00 0.00 C ATOM 522 CD GLU A 33 -12.590 -5.931 0.862 1.00 0.00 C ATOM 523 OE1 GLU A 33 -13.187 -6.842 1.475 1.00 0.00 O ATOM 524 OE2 GLU A 33 -12.656 -5.792 -0.373 1.00 0.00 O ATOM 0 H GLU A 33 -8.647 -3.231 1.243 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.028 -4.192 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.859 -5.665 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.419 -6.363 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.273 -4.725 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.707 -4.005 1.097 1.00 0.00 H new ATOM 531 N LYS A 34 -8.022 -5.551 4.254 1.00 0.00 N ATOM 532 CA LYS A 34 -6.755 -6.102 4.709 1.00 0.00 C ATOM 533 C LYS A 34 -6.909 -7.568 5.084 1.00 0.00 C ATOM 534 O LYS A 34 -7.881 -7.957 5.733 1.00 0.00 O ATOM 535 CB LYS A 34 -6.223 -5.292 5.892 1.00 0.00 C ATOM 536 CG LYS A 34 -6.037 -3.823 5.556 1.00 0.00 C ATOM 537 CD LYS A 34 -5.396 -3.032 6.685 1.00 0.00 C ATOM 538 CE LYS A 34 -6.179 -3.141 7.968 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.727 -2.142 8.970 1.00 0.00 N ATOM 0 H LYS A 34 -8.779 -5.618 4.934 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.035 -6.038 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.913 -5.385 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.270 -5.711 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.419 -3.736 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.006 -3.385 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.380 -3.392 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.320 -1.984 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.239 -2.996 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.069 -4.145 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.264 -2.268 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.713 -2.275 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.887 -1.183 8.601 1.00 0.00 H new ATOM 553 N CYS A 35 -5.949 -8.372 4.654 1.00 0.00 N ATOM 554 CA CYS A 35 -5.972 -9.807 4.896 1.00 0.00 C ATOM 555 C CYS A 35 -5.061 -10.151 6.074 1.00 0.00 C ATOM 556 O CYS A 35 -4.461 -9.263 6.679 1.00 0.00 O ATOM 557 CB CYS A 35 -5.514 -10.542 3.627 1.00 0.00 C ATOM 558 SG CYS A 35 -5.680 -12.347 3.685 1.00 0.00 S ATOM 0 H CYS A 35 -5.135 -8.051 4.130 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.986 -10.122 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.089 -10.166 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.469 -10.294 3.439 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.610 -12.897 3.192 1.00 0.00 H new ATOM 564 N SER A 36 -4.953 -11.438 6.388 1.00 0.00 N ATOM 565 CA SER A 36 -4.072 -11.903 7.451 1.00 0.00 C ATOM 566 C SER A 36 -2.637 -12.024 6.939 1.00 0.00 C ATOM 567 O SER A 36 -1.727 -12.429 7.666 1.00 0.00 O ATOM 568 CB SER A 36 -4.570 -13.248 7.987 1.00 0.00 C ATOM 569 OG SER A 36 -4.852 -14.148 6.926 1.00 0.00 O ATOM 0 H SER A 36 -5.469 -12.181 5.917 1.00 0.00 H new ATOM 0 HA SER A 36 -4.082 -11.177 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.817 -13.682 8.646 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.468 -13.094 8.586 1.00 0.00 H new ATOM 0 HG SER A 36 -5.167 -15.000 7.295 1.00 0.00 H new ATOM 575 N ASP A 37 -2.453 -11.674 5.675 1.00 0.00 N ATOM 576 CA ASP A 37 -1.142 -11.711 5.046 1.00 0.00 C ATOM 577 C ASP A 37 -0.467 -10.357 5.176 1.00 0.00 C ATOM 578 O ASP A 37 -1.096 -9.376 5.573 1.00 0.00 O ATOM 579 CB ASP A 37 -1.257 -12.078 3.565 1.00 0.00 C ATOM 580 CG ASP A 37 -1.913 -13.424 3.335 1.00 0.00 C ATOM 581 OD1 ASP A 37 -1.277 -14.457 3.618 1.00 0.00 O ATOM 582 OD2 ASP A 37 -3.073 -13.455 2.869 1.00 0.00 O ATOM 0 H ASP A 37 -3.203 -11.358 5.060 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.545 -12.471 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.831 -11.308 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.262 -12.085 3.120 1.00 0.00 H new ATOM 587 N GLY A 38 0.811 -10.304 4.825 1.00 0.00 N ATOM 588 CA GLY A 38 1.536 -9.049 4.842 1.00 0.00 C ATOM 589 C GLY A 38 1.225 -8.188 3.633 1.00 0.00 C ATOM 590 O GLY A 38 1.789 -7.103 3.472 1.00 0.00 O ATOM 0 H GLY A 38 1.360 -11.111 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.286 -8.500 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.607 -9.251 4.876 1.00 0.00 H new ATOM 594 N TRP A 39 0.330 -8.673 2.788 1.00 0.00 N ATOM 595 CA TRP A 39 -0.081 -7.945 1.599 1.00 0.00 C ATOM 596 C TRP A 39 -1.496 -7.413 1.757 1.00 0.00 C ATOM 597 O TRP A 39 -2.427 -8.171 2.037 1.00 0.00 O ATOM 598 CB TRP A 39 0.000 -8.839 0.362 1.00 0.00 C ATOM 599 CG TRP A 39 1.399 -9.212 -0.029 1.00 0.00 C ATOM 600 CD1 TRP A 39 2.146 -10.246 0.461 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.221 -8.548 -0.999 1.00 0.00 C ATOM 602 NE1 TRP A 39 3.382 -10.259 -0.137 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.451 -9.227 -1.036 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.035 -7.444 -1.836 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.490 -8.840 -1.879 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.067 -7.059 -2.672 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.280 -7.755 -2.687 1.00 0.00 C ATOM 0 H TRP A 39 -0.129 -9.576 2.906 1.00 0.00 H new ATOM 0 HA TRP A 39 0.600 -7.103 1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.570 -9.750 0.546 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.477 -8.328 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.813 -10.950 1.209 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.127 -10.928 0.056 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.101 -6.901 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.427 -9.376 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.934 -6.208 -3.323 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.068 -7.430 -3.350 1.00 0.00 H new ATOM 618 N TRP A 40 -1.650 -6.114 1.578 1.00 0.00 N ATOM 619 CA TRP A 40 -2.946 -5.474 1.698 1.00 0.00 C ATOM 620 C TRP A 40 -3.431 -4.985 0.342 1.00 0.00 C ATOM 621 O TRP A 40 -2.630 -4.672 -0.536 1.00 0.00 O ATOM 622 CB TRP A 40 -2.871 -4.307 2.679 1.00 0.00 C ATOM 623 CG TRP A 40 -2.768 -4.735 4.106 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.967 -5.992 4.604 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.474 -3.903 5.228 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.808 -5.993 5.963 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.505 -4.723 6.371 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.185 -2.544 5.379 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.266 -4.230 7.644 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -1.948 -2.057 6.650 1.00 0.00 C ATOM 631 CH2 TRP A 40 -1.989 -2.901 7.765 1.00 0.00 C ATOM 0 H TRP A 40 -0.887 -5.478 1.347 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.657 -6.209 2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.009 -3.688 2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.757 -3.683 2.558 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.214 -6.860 4.010 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.900 -6.806 6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.148 -1.889 4.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.298 -4.876 8.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.728 -1.008 6.785 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.797 -2.490 8.745 1.00 0.00 H new ATOM 642 N ARG A 41 -4.743 -4.914 0.180 1.00 0.00 N ATOM 643 CA ARG A 41 -5.325 -4.512 -1.088 1.00 0.00 C ATOM 644 C ARG A 41 -5.726 -3.044 -1.045 1.00 0.00 C ATOM 645 O ARG A 41 -6.710 -2.667 -0.399 1.00 0.00 O ATOM 646 CB ARG A 41 -6.528 -5.398 -1.417 1.00 0.00 C ATOM 647 CG ARG A 41 -7.051 -5.232 -2.835 1.00 0.00 C ATOM 648 CD ARG A 41 -8.023 -6.345 -3.192 1.00 0.00 C ATOM 649 NE ARG A 41 -8.494 -6.242 -4.570 1.00 0.00 N ATOM 650 CZ ARG A 41 -8.109 -7.057 -5.556 1.00 0.00 C ATOM 651 NH1 ARG A 41 -7.233 -8.026 -5.315 1.00 0.00 N ATOM 652 NH2 ARG A 41 -8.601 -6.907 -6.774 1.00 0.00 N ATOM 0 H ARG A 41 -5.422 -5.129 0.910 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.581 -4.636 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.251 -6.441 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.332 -5.175 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.547 -4.266 -2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.217 -5.234 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.538 -7.310 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.876 -6.312 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.159 -5.501 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.853 -8.149 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.940 -8.648 -6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.277 -6.167 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.305 -7.531 -7.524 1.00 0.00 H new ATOM 666 N GLY A 42 -4.949 -2.221 -1.726 1.00 0.00 N ATOM 667 CA GLY A 42 -5.186 -0.799 -1.718 1.00 0.00 C ATOM 668 C GLY A 42 -4.995 -0.177 -3.084 1.00 0.00 C ATOM 669 O GLY A 42 -4.368 -0.768 -3.961 1.00 0.00 O ATOM 0 H GLY A 42 -4.152 -2.517 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.201 -0.604 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.510 -0.324 -1.007 1.00 0.00 H new ATOM 673 N SER A 43 -5.540 1.012 -3.266 1.00 0.00 N ATOM 674 CA SER A 43 -5.426 1.725 -4.529 1.00 0.00 C ATOM 675 C SER A 43 -4.674 3.035 -4.335 1.00 0.00 C ATOM 676 O SER A 43 -4.770 3.664 -3.276 1.00 0.00 O ATOM 677 CB SER A 43 -6.817 1.962 -5.131 1.00 0.00 C ATOM 678 OG SER A 43 -6.802 2.968 -6.129 1.00 0.00 O ATOM 0 H SER A 43 -6.070 1.509 -2.550 1.00 0.00 H new ATOM 0 HA SER A 43 -4.855 1.116 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.189 1.032 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.510 2.247 -4.340 1.00 0.00 H new ATOM 0 HG SER A 43 -6.093 2.775 -6.777 1.00 0.00 H new ATOM 684 N TYR A 44 -3.909 3.429 -5.347 1.00 0.00 N ATOM 685 CA TYR A 44 -3.118 4.646 -5.270 1.00 0.00 C ATOM 686 C TYR A 44 -2.988 5.313 -6.636 1.00 0.00 C ATOM 687 O TYR A 44 -2.556 4.682 -7.605 1.00 0.00 O ATOM 688 CB TYR A 44 -1.727 4.342 -4.700 1.00 0.00 C ATOM 689 CG TYR A 44 -0.750 5.494 -4.823 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.932 6.669 -4.107 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.352 5.401 -5.663 1.00 0.00 C ATOM 692 CE1 TYR A 44 -0.046 7.721 -4.230 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.243 6.448 -5.787 1.00 0.00 C ATOM 694 CZ TYR A 44 1.040 7.605 -5.070 1.00 0.00 C ATOM 695 OH TYR A 44 1.920 8.650 -5.204 1.00 0.00 O ATOM 0 H TYR A 44 -3.822 2.922 -6.228 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.635 5.337 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.826 4.073 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.316 3.473 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.779 6.762 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.514 4.495 -6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.204 8.631 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.096 6.360 -6.444 1.00 0.00 H new ATOM 0 HH TYR A 44 2.629 8.402 -5.834 1.00 0.00 H new ATOM 705 N ASN A 45 -3.409 6.578 -6.697 1.00 0.00 N ATOM 706 CA ASN A 45 -3.146 7.470 -7.835 1.00 0.00 C ATOM 707 C ASN A 45 -3.985 7.147 -9.070 1.00 0.00 C ATOM 708 O ASN A 45 -4.376 8.045 -9.818 1.00 0.00 O ATOM 709 CB ASN A 45 -1.653 7.472 -8.184 1.00 0.00 C ATOM 710 CG ASN A 45 -1.311 8.476 -9.269 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.294 8.147 -10.451 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.033 9.708 -8.870 1.00 0.00 N ATOM 0 H ASN A 45 -3.948 7.019 -5.952 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.446 8.468 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.074 7.698 -7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.358 6.475 -8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.794 10.424 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.058 9.940 -7.877 1.00 0.00 H new ATOM 719 N GLY A 46 -4.255 5.882 -9.280 1.00 0.00 N ATOM 720 CA GLY A 46 -5.030 5.475 -10.431 1.00 0.00 C ATOM 721 C GLY A 46 -5.349 3.998 -10.424 1.00 0.00 C ATOM 722 O GLY A 46 -6.461 3.600 -10.762 1.00 0.00 O ATOM 0 H GLY A 46 -3.953 5.119 -8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.960 6.044 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.480 5.720 -11.340 1.00 0.00 H new ATOM 726 N GLN A 47 -4.378 3.180 -10.040 1.00 0.00 N ATOM 727 CA GLN A 47 -4.566 1.737 -10.043 1.00 0.00 C ATOM 728 C GLN A 47 -4.796 1.207 -8.640 1.00 0.00 C ATOM 729 O GLN A 47 -4.743 1.950 -7.659 1.00 0.00 O ATOM 730 CB GLN A 47 -3.363 1.015 -10.655 1.00 0.00 C ATOM 731 CG GLN A 47 -3.141 1.323 -12.122 1.00 0.00 C ATOM 732 CD GLN A 47 -2.130 2.430 -12.356 1.00 0.00 C ATOM 733 OE1 GLN A 47 -1.976 3.344 -11.542 1.00 0.00 O ATOM 734 NE2 GLN A 47 -1.429 2.348 -13.472 1.00 0.00 N ATOM 0 H GLN A 47 -3.458 3.489 -9.725 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.448 1.540 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.467 1.287 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.498 -0.060 -10.536 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.804 0.419 -12.629 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.091 1.606 -12.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.588 1.575 -14.118 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.729 3.057 -13.688 1.00 0.00 H new ATOM 743 N VAL A 48 -5.044 -0.089 -8.566 1.00 0.00 N ATOM 744 CA VAL A 48 -5.238 -0.781 -7.308 1.00 0.00 C ATOM 745 C VAL A 48 -4.353 -2.020 -7.286 1.00 0.00 C ATOM 746 O VAL A 48 -3.840 -2.430 -8.328 1.00 0.00 O ATOM 747 CB VAL A 48 -6.712 -1.220 -7.137 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.997 -2.467 -7.967 1.00 0.00 C ATOM 749 CG2 VAL A 48 -7.054 -1.457 -5.671 1.00 0.00 C ATOM 0 H VAL A 48 -5.117 -0.693 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.978 -0.103 -6.495 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.347 -0.411 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.038 -2.762 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.811 -2.254 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.346 -3.278 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.096 -1.764 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.411 -2.240 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.900 -0.537 -5.108 1.00 0.00 H new ATOM 759 N GLY A 49 -4.161 -2.604 -6.119 1.00 0.00 N ATOM 760 CA GLY A 49 -3.482 -3.874 -6.055 1.00 0.00 C ATOM 761 C GLY A 49 -3.025 -4.215 -4.657 1.00 0.00 C ATOM 762 O GLY A 49 -3.596 -3.733 -3.680 1.00 0.00 O ATOM 0 H GLY A 49 -4.461 -2.225 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.148 -4.657 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.620 -3.855 -6.721 1.00 0.00 H new ATOM 766 N TRP A 50 -2.004 -5.049 -4.558 1.00 0.00 N ATOM 767 CA TRP A 50 -1.509 -5.488 -3.265 1.00 0.00 C ATOM 768 C TRP A 50 -0.191 -4.805 -2.937 1.00 0.00 C ATOM 769 O TRP A 50 0.680 -4.667 -3.794 1.00 0.00 O ATOM 770 CB TRP A 50 -1.321 -7.007 -3.241 1.00 0.00 C ATOM 771 CG TRP A 50 -2.566 -7.773 -3.555 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.998 -8.158 -4.790 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.536 -8.253 -2.620 1.00 0.00 C ATOM 774 NE1 TRP A 50 -4.183 -8.843 -4.681 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.531 -8.920 -3.358 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.659 -8.188 -1.231 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.633 -9.515 -2.753 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.753 -8.780 -0.630 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.729 -9.435 -1.391 1.00 0.00 C ATOM 0 H TRP A 50 -1.502 -5.436 -5.357 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.249 -5.213 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.547 -7.280 -3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.961 -7.304 -2.256 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.484 -7.954 -5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.717 -9.231 -5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.912 -7.684 -0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.386 -10.022 -3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.857 -8.737 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.574 -9.886 -0.893 1.00 0.00 H new ATOM 790 N PHE A 51 -0.055 -4.371 -1.701 1.00 0.00 N ATOM 791 CA PHE A 51 1.182 -3.771 -1.241 1.00 0.00 C ATOM 792 C PHE A 51 1.565 -4.360 0.112 1.00 0.00 C ATOM 793 O PHE A 51 0.695 -4.753 0.891 1.00 0.00 O ATOM 794 CB PHE A 51 1.051 -2.242 -1.152 1.00 0.00 C ATOM 795 CG PHE A 51 0.073 -1.768 -0.111 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.485 -1.562 1.191 1.00 0.00 C ATOM 797 CD2 PHE A 51 -1.253 -1.529 -0.435 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.403 -1.136 2.153 1.00 0.00 C ATOM 799 CE2 PHE A 51 -2.146 -1.100 0.524 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.718 -0.905 1.821 1.00 0.00 C ATOM 0 H PHE A 51 -0.788 -4.423 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 51 1.970 -3.994 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.031 -1.816 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.745 -1.857 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.517 -1.737 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.591 -1.680 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.067 -0.983 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.177 -0.917 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.415 -0.571 2.575 1.00 0.00 H new ATOM 810 N PRO A 52 2.867 -4.455 0.401 1.00 0.00 N ATOM 811 CA PRO A 52 3.353 -4.964 1.680 1.00 0.00 C ATOM 812 C PRO A 52 3.103 -3.978 2.820 1.00 0.00 C ATOM 813 O PRO A 52 3.461 -2.802 2.734 1.00 0.00 O ATOM 814 CB PRO A 52 4.860 -5.156 1.457 1.00 0.00 C ATOM 815 CG PRO A 52 5.068 -4.998 -0.014 1.00 0.00 C ATOM 816 CD PRO A 52 3.971 -4.096 -0.492 1.00 0.00 C ATOM 0 HA PRO A 52 2.841 -5.881 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.437 -4.419 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.185 -6.140 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.047 -4.568 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.028 -5.963 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.241 -3.044 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.723 -4.275 -1.538 1.00 0.00 H new ATOM 824 N SER A 53 2.504 -4.479 3.892 1.00 0.00 N ATOM 825 CA SER A 53 2.161 -3.667 5.059 1.00 0.00 C ATOM 826 C SER A 53 3.405 -3.085 5.739 1.00 0.00 C ATOM 827 O SER A 53 3.305 -2.199 6.590 1.00 0.00 O ATOM 828 CB SER A 53 1.367 -4.507 6.047 1.00 0.00 C ATOM 829 OG SER A 53 1.096 -3.795 7.242 1.00 0.00 O ATOM 0 H SER A 53 2.241 -5.460 3.980 1.00 0.00 H new ATOM 0 HA SER A 53 1.556 -2.827 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.429 -4.818 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.923 -5.414 6.282 1.00 0.00 H new ATOM 0 HG SER A 53 0.129 -3.665 7.333 1.00 0.00 H new ATOM 835 N ASN A 54 4.572 -3.575 5.348 1.00 0.00 N ATOM 836 CA ASN A 54 5.836 -3.155 5.953 1.00 0.00 C ATOM 837 C ASN A 54 6.185 -1.713 5.593 1.00 0.00 C ATOM 838 O ASN A 54 7.069 -1.114 6.202 1.00 0.00 O ATOM 839 CB ASN A 54 6.983 -4.070 5.505 1.00 0.00 C ATOM 840 CG ASN A 54 6.959 -5.451 6.145 1.00 0.00 C ATOM 841 OD1 ASN A 54 8.000 -6.088 6.288 1.00 0.00 O ATOM 842 ND2 ASN A 54 5.786 -5.923 6.542 1.00 0.00 N ATOM 0 H ASN A 54 4.674 -4.270 4.608 1.00 0.00 H new ATOM 0 HA ASN A 54 5.707 -3.225 7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.943 -4.182 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.932 -3.588 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.728 -6.842 6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.941 -5.368 6.408 1.00 0.00 H new ATOM 849 N TYR A 55 5.495 -1.154 4.609 1.00 0.00 N ATOM 850 CA TYR A 55 5.867 0.155 4.088 1.00 0.00 C ATOM 851 C TYR A 55 4.761 1.191 4.272 1.00 0.00 C ATOM 852 O TYR A 55 4.808 2.251 3.651 1.00 0.00 O ATOM 853 CB TYR A 55 6.209 0.048 2.602 1.00 0.00 C ATOM 854 CG TYR A 55 7.269 -0.978 2.286 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.616 -0.686 2.440 1.00 0.00 C ATOM 856 CD2 TYR A 55 6.917 -2.239 1.826 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.585 -1.625 2.143 1.00 0.00 C ATOM 858 CE2 TYR A 55 7.878 -3.182 1.531 1.00 0.00 C ATOM 859 CZ TYR A 55 9.210 -2.872 1.690 1.00 0.00 C ATOM 860 OH TYR A 55 10.165 -3.811 1.386 1.00 0.00 O ATOM 0 H TYR A 55 4.684 -1.579 4.159 1.00 0.00 H new ATOM 0 HA TYR A 55 6.736 0.488 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.303 -0.199 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.544 1.022 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.912 0.289 2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.873 -2.485 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.631 -1.383 2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.587 -4.160 1.177 1.00 0.00 H new ATOM 0 HH TYR A 55 9.729 -4.635 1.082 1.00 0.00 H new ATOM 870 N VAL A 56 3.776 0.914 5.121 1.00 0.00 N ATOM 871 CA VAL A 56 2.658 1.845 5.279 1.00 0.00 C ATOM 872 C VAL A 56 2.380 2.192 6.736 1.00 0.00 C ATOM 873 O VAL A 56 2.958 1.610 7.656 1.00 0.00 O ATOM 874 CB VAL A 56 1.363 1.321 4.638 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.514 1.271 3.130 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.996 -0.038 5.208 1.00 0.00 C ATOM 0 H VAL A 56 3.725 0.075 5.698 1.00 0.00 H new ATOM 0 HA VAL A 56 2.973 2.749 4.758 1.00 0.00 H new ATOM 0 HB VAL A 56 0.547 2.005 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.592 0.899 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.722 2.272 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.338 0.606 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.077 -0.392 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.800 -0.746 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.847 0.047 6.284 1.00 0.00 H new ATOM 886 N THR A 57 1.498 3.166 6.916 1.00 0.00 N ATOM 887 CA THR A 57 1.081 3.635 8.226 1.00 0.00 C ATOM 888 C THR A 57 -0.333 4.212 8.143 1.00 0.00 C ATOM 889 O THR A 57 -0.547 5.268 7.552 1.00 0.00 O ATOM 890 CB THR A 57 2.078 4.693 8.759 1.00 0.00 C ATOM 891 OG1 THR A 57 3.203 4.033 9.347 1.00 0.00 O ATOM 892 CG2 THR A 57 1.444 5.641 9.771 1.00 0.00 C ATOM 0 H THR A 57 1.047 3.658 6.144 1.00 0.00 H new ATOM 0 HA THR A 57 1.074 2.796 8.922 1.00 0.00 H new ATOM 0 HB THR A 57 2.395 5.300 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.259 3.116 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.188 6.361 10.111 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.614 6.170 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.076 5.070 10.623 1.00 0.00 H new ATOM 900 N GLU A 58 -1.300 3.495 8.698 1.00 0.00 N ATOM 901 CA GLU A 58 -2.692 3.928 8.656 1.00 0.00 C ATOM 902 C GLU A 58 -2.983 4.907 9.783 1.00 0.00 C ATOM 903 O GLU A 58 -3.137 6.110 9.572 1.00 0.00 O ATOM 904 CB GLU A 58 -3.618 2.730 8.803 1.00 0.00 C ATOM 905 CG GLU A 58 -3.413 1.676 7.744 1.00 0.00 C ATOM 906 CD GLU A 58 -4.077 0.374 8.118 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.542 -0.330 9.002 1.00 0.00 O ATOM 908 OE2 GLU A 58 -5.136 0.049 7.548 1.00 0.00 O ATOM 0 H GLU A 58 -1.148 2.611 9.183 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.863 4.416 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.465 2.282 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.652 3.074 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.815 2.030 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.346 1.511 7.596 1.00 0.00 H new ATOM 915 N GLU A 59 -3.026 4.368 10.990 1.00 0.00 N ATOM 916 CA GLU A 59 -3.399 5.132 12.163 1.00 0.00 C ATOM 917 C GLU A 59 -2.176 5.388 13.036 1.00 0.00 C ATOM 918 O GLU A 59 -1.960 4.714 14.049 1.00 0.00 O ATOM 919 CB GLU A 59 -4.473 4.382 12.953 1.00 0.00 C ATOM 920 CG GLU A 59 -5.147 5.214 14.030 1.00 0.00 C ATOM 921 CD GLU A 59 -6.146 4.412 14.836 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.720 3.443 14.292 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.354 4.736 16.022 1.00 0.00 O ATOM 0 H GLU A 59 -2.804 3.391 11.181 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.804 6.093 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.233 4.021 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.021 3.505 13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.389 5.622 14.698 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.653 6.061 13.568 1.00 0.00 H new ATOM 930 N GLY A 60 -1.357 6.332 12.607 1.00 0.00 N ATOM 931 CA GLY A 60 -0.181 6.707 13.365 1.00 0.00 C ATOM 932 C GLY A 60 0.414 8.012 12.878 1.00 0.00 C ATOM 933 O GLY A 60 0.036 8.513 11.816 1.00 0.00 O ATOM 0 H GLY A 60 -1.486 6.851 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.443 6.799 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.566 5.917 13.290 1.00 0.00 H new ATOM 937 N ASP A 61 1.332 8.567 13.653 1.00 0.00 N ATOM 938 CA ASP A 61 1.999 9.810 13.292 1.00 0.00 C ATOM 939 C ASP A 61 3.339 9.893 14.011 1.00 0.00 C ATOM 940 O ASP A 61 3.443 10.626 15.014 1.00 0.00 O ATOM 941 CB ASP A 61 1.118 11.018 13.644 1.00 0.00 C ATOM 942 CG ASP A 61 1.710 12.339 13.184 1.00 0.00 C ATOM 943 OD1 ASP A 61 1.919 12.514 11.964 1.00 0.00 O ATOM 944 OD2 ASP A 61 1.937 13.226 14.038 1.00 0.00 O ATOM 0 H ASP A 61 1.635 8.173 14.544 1.00 0.00 H new ATOM 0 HA ASP A 61 2.171 9.824 12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.136 10.889 13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.969 11.049 14.723 1.00 0.00 H new TER 949 ASP A 61