USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot -90:sc= 0.755 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 5 SER OG : rot 52:sc= 0.0537 USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -0.199 (180deg=-0.996) USER MOD Single : A 9 MET CE :methyl -103:sc= -4.61! (180deg=-8.53!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -6.6! USER MOD Single : A 12 ASN : amide:sc= -0.996 K(o=-1,f=-0.26) USER MOD Single : A 13 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-5.8!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= -1.69! (180deg=-1.76!) USER MOD Single : A 34 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0.0274 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0783 K(o=-0.078,f=-0.93) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -1:sc= -4.81! USER MOD Single : A 56 GLN : amide:sc= -0.906 K(o=-0.91,f=-3.6!) USER MOD Single : A 59 ASN : amide:sc= 0.111 K(o=0.11,f=-3.2!) USER MOD Single : A 64 GLN : amide:sc= -1.21 K(o=-1.2,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.730 -4.449 -3.868 1.00 0.00 N ATOM 12 CA GLN A 2 -7.660 -3.455 -3.360 1.00 0.00 C ATOM 13 C GLN A 2 -6.996 -2.077 -3.326 1.00 0.00 C ATOM 14 O GLN A 2 -5.779 -1.966 -3.466 1.00 0.00 O ATOM 15 CB GLN A 2 -8.181 -3.847 -1.976 1.00 0.00 C ATOM 16 CG GLN A 2 -9.531 -4.559 -2.080 1.00 0.00 C ATOM 17 CD GLN A 2 -10.230 -4.610 -0.720 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.991 -5.485 0.097 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.104 -3.627 -0.523 1.00 0.00 N ATOM 0 HA GLN A 2 -8.516 -3.409 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.459 -4.498 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.282 -2.956 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.165 -4.041 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.384 -5.572 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.256 -2.927 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.622 -3.573 0.354 1.00 0.00 H new ATOM 28 N GLU A 3 -7.826 -1.061 -3.139 1.00 0.00 N ATOM 29 CA GLU A 3 -7.335 0.306 -3.084 1.00 0.00 C ATOM 30 C GLU A 3 -7.359 0.822 -1.644 1.00 0.00 C ATOM 31 O GLU A 3 -8.203 0.412 -0.848 1.00 0.00 O ATOM 32 CB GLU A 3 -8.147 1.218 -4.006 1.00 0.00 C ATOM 33 CG GLU A 3 -9.641 0.899 -3.915 1.00 0.00 C ATOM 34 CD GLU A 3 -10.485 2.147 -4.185 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.874 3.232 -4.298 1.00 0.00 O ATOM 36 OE2 GLU A 3 -11.721 1.988 -4.271 1.00 0.00 O ATOM 0 H GLU A 3 -8.835 -1.157 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.303 0.314 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.977 2.260 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.807 1.097 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.895 0.121 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.873 0.506 -2.925 1.00 0.00 H new ATOM 43 N PHE A 4 -6.423 1.713 -1.352 1.00 0.00 N ATOM 44 CA PHE A 4 -6.326 2.289 -0.022 1.00 0.00 C ATOM 45 C PHE A 4 -6.129 3.804 -0.093 1.00 0.00 C ATOM 46 O PHE A 4 -5.276 4.288 -0.836 1.00 0.00 O ATOM 47 CB PHE A 4 -5.105 1.658 0.651 1.00 0.00 C ATOM 48 CG PHE A 4 -4.781 0.247 0.155 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.234 0.068 -1.077 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.041 -0.828 0.947 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.933 -1.241 -1.536 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.740 -2.137 0.487 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.192 -2.316 -0.745 1.00 0.00 C ATOM 0 H PHE A 4 -5.725 2.050 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.243 2.095 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.239 2.299 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.273 1.624 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.029 0.922 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.476 -0.686 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.498 -1.383 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.946 -2.991 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.963 -3.312 -1.095 1.00 0.00 H new ATOM 63 N SER A 5 -6.931 4.511 0.689 1.00 0.00 N ATOM 64 CA SER A 5 -6.855 5.962 0.724 1.00 0.00 C ATOM 65 C SER A 5 -5.738 6.405 1.670 1.00 0.00 C ATOM 66 O SER A 5 -5.708 6.003 2.832 1.00 0.00 O ATOM 67 CB SER A 5 -8.190 6.573 1.155 1.00 0.00 C ATOM 68 OG SER A 5 -8.021 7.857 1.751 1.00 0.00 O ATOM 0 H SER A 5 -7.637 4.106 1.304 1.00 0.00 H new ATOM 0 HA SER A 5 -6.632 6.317 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.846 6.659 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.682 5.906 1.863 1.00 0.00 H new ATOM 0 HG SER A 5 -7.493 8.428 1.154 1.00 0.00 H new ATOM 74 N VAL A 6 -4.845 7.227 1.137 1.00 0.00 N ATOM 75 CA VAL A 6 -3.729 7.728 1.920 1.00 0.00 C ATOM 76 C VAL A 6 -4.010 9.175 2.332 1.00 0.00 C ATOM 77 O VAL A 6 -4.157 10.049 1.480 1.00 0.00 O ATOM 78 CB VAL A 6 -2.426 7.573 1.132 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.314 8.641 0.042 1.00 0.00 C ATOM 80 CG2 VAL A 6 -1.214 7.612 2.064 1.00 0.00 C ATOM 0 H VAL A 6 -4.872 7.558 0.173 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.612 7.146 2.834 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.443 6.598 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.379 8.508 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.153 8.546 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.330 9.630 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.301 7.500 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.192 8.565 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.284 6.799 2.786 1.00 0.00 H new ATOM 90 N LYS A 7 -4.076 9.382 3.639 1.00 0.00 N ATOM 91 CA LYS A 7 -4.336 10.707 4.174 1.00 0.00 C ATOM 92 C LYS A 7 -3.207 11.097 5.130 1.00 0.00 C ATOM 93 O LYS A 7 -2.209 10.387 5.240 1.00 0.00 O ATOM 94 CB LYS A 7 -5.727 10.765 4.809 1.00 0.00 C ATOM 95 CG LYS A 7 -6.665 11.657 3.995 1.00 0.00 C ATOM 96 CD LYS A 7 -7.652 12.391 4.905 1.00 0.00 C ATOM 97 CE LYS A 7 -8.962 12.683 4.172 1.00 0.00 C ATOM 98 NZ LYS A 7 -9.619 11.421 3.761 1.00 0.00 N ATOM 0 H LYS A 7 -3.954 8.654 4.343 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.345 11.446 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.142 9.759 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.650 11.146 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.081 12.381 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.212 11.051 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.853 11.788 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.208 13.325 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.629 13.253 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.765 13.300 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.650 11.556 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.290 11.151 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.379 10.668 4.437 1.00 0.00 H new ATOM 112 N GLY A 8 -3.403 12.225 5.798 1.00 0.00 N ATOM 113 CA GLY A 8 -2.414 12.718 6.741 1.00 0.00 C ATOM 114 C GLY A 8 -1.038 12.835 6.082 1.00 0.00 C ATOM 115 O GLY A 8 -0.023 12.939 6.769 1.00 0.00 O ATOM 0 H GLY A 8 -4.232 12.811 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.723 13.692 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.355 12.045 7.597 1.00 0.00 H new ATOM 119 N MET A 9 -1.049 12.814 4.757 1.00 0.00 N ATOM 120 CA MET A 9 0.185 12.917 3.997 1.00 0.00 C ATOM 121 C MET A 9 0.712 14.353 3.998 1.00 0.00 C ATOM 122 O MET A 9 -0.068 15.304 4.003 1.00 0.00 O ATOM 123 CB MET A 9 -0.063 12.465 2.557 1.00 0.00 C ATOM 124 CG MET A 9 0.886 11.329 2.167 1.00 0.00 C ATOM 125 SD MET A 9 1.263 11.419 0.425 1.00 0.00 S ATOM 126 CE MET A 9 0.568 9.868 -0.123 1.00 0.00 C ATOM 0 H MET A 9 -1.893 12.727 4.191 1.00 0.00 H new ATOM 0 HA MET A 9 0.932 12.276 4.465 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.096 12.134 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.074 13.307 1.879 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.805 11.395 2.750 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.430 10.367 2.399 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.369 9.147 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.115 9.487 0.636 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.025 10.022 -1.055 1.00 0.00 H new ATOM 136 N SER A 10 2.032 14.465 3.994 1.00 0.00 N ATOM 137 CA SER A 10 2.672 15.770 3.994 1.00 0.00 C ATOM 138 C SER A 10 2.869 16.256 2.557 1.00 0.00 C ATOM 139 O SER A 10 2.683 17.437 2.266 1.00 0.00 O ATOM 140 CB SER A 10 4.014 15.725 4.728 1.00 0.00 C ATOM 141 OG SER A 10 3.900 15.118 6.012 1.00 0.00 O ATOM 0 H SER A 10 2.676 13.674 3.991 1.00 0.00 H new ATOM 0 HA SER A 10 2.023 16.469 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.737 15.172 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.401 16.738 4.839 1.00 0.00 H new ATOM 0 HG SER A 10 4.778 15.107 6.448 1.00 0.00 H new ATOM 147 N CYS A 11 3.244 15.322 1.696 1.00 0.00 N ATOM 148 CA CYS A 11 3.468 15.641 0.296 1.00 0.00 C ATOM 149 C CYS A 11 4.965 15.884 0.092 1.00 0.00 C ATOM 150 O CYS A 11 5.372 16.976 -0.300 1.00 0.00 O ATOM 151 CB CYS A 11 2.629 16.839 -0.153 1.00 0.00 C ATOM 152 SG CYS A 11 2.376 16.782 -1.964 1.00 0.00 S ATOM 0 H CYS A 11 3.398 14.344 1.941 1.00 0.00 H new ATOM 0 HA CYS A 11 3.149 14.804 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.666 16.831 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.129 17.767 0.124 1.00 0.00 H new ATOM 0 HG CYS A 11 1.661 17.802 -2.335 1.00 0.00 H new ATOM 158 N ASN A 12 5.743 14.848 0.369 1.00 0.00 N ATOM 159 CA ASN A 12 7.186 14.935 0.221 1.00 0.00 C ATOM 160 C ASN A 12 7.726 13.593 -0.277 1.00 0.00 C ATOM 161 O ASN A 12 7.962 13.419 -1.471 1.00 0.00 O ATOM 162 CB ASN A 12 7.859 15.248 1.559 1.00 0.00 C ATOM 163 CG ASN A 12 8.199 16.736 1.667 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.987 17.376 2.684 1.00 0.00 O ATOM 165 ND2 ASN A 12 8.735 17.250 0.564 1.00 0.00 N ATOM 0 H ASN A 12 5.401 13.944 0.695 1.00 0.00 H new ATOM 0 HA ASN A 12 7.404 15.733 -0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.199 14.962 2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.768 14.655 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.995 18.236 0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.886 16.658 -0.253 1.00 0.00 H new ATOM 172 N HIS A 13 7.905 12.678 0.664 1.00 0.00 N ATOM 173 CA HIS A 13 8.412 11.356 0.336 1.00 0.00 C ATOM 174 C HIS A 13 7.442 10.291 0.853 1.00 0.00 C ATOM 175 O HIS A 13 7.795 9.116 0.942 1.00 0.00 O ATOM 176 CB HIS A 13 9.834 11.172 0.871 1.00 0.00 C ATOM 177 CG HIS A 13 10.222 9.731 1.101 1.00 0.00 C ATOM 178 ND1 HIS A 13 10.446 8.840 0.066 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.423 9.036 2.257 1.00 0.00 C ATOM 180 CE1 HIS A 13 10.767 7.665 0.587 1.00 0.00 C ATOM 181 NE2 HIS A 13 10.751 7.788 1.945 1.00 0.00 N ATOM 0 H HIS A 13 7.708 12.826 1.654 1.00 0.00 H new ATOM 0 HA HIS A 13 8.475 11.245 -0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.537 11.619 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.932 11.718 1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.331 9.434 3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.000 6.767 0.033 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.957 7.044 2.611 1.00 0.00 H new ATOM 189 N CYS A 14 6.240 10.741 1.180 1.00 0.00 N ATOM 190 CA CYS A 14 5.216 9.842 1.685 1.00 0.00 C ATOM 191 C CYS A 14 4.847 8.860 0.571 1.00 0.00 C ATOM 192 O CYS A 14 5.022 7.652 0.720 1.00 0.00 O ATOM 193 CB CYS A 14 3.995 10.606 2.200 1.00 0.00 C ATOM 194 SG CYS A 14 4.276 11.144 3.926 1.00 0.00 S ATOM 0 H CYS A 14 5.952 11.717 1.105 1.00 0.00 H new ATOM 0 HA CYS A 14 5.604 9.290 2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.804 11.472 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.110 9.972 2.148 1.00 0.00 H new ATOM 0 HG CYS A 14 3.866 10.218 4.741 1.00 0.00 H new ATOM 200 N VAL A 15 4.342 9.416 -0.521 1.00 0.00 N ATOM 201 CA VAL A 15 3.947 8.605 -1.660 1.00 0.00 C ATOM 202 C VAL A 15 4.940 7.454 -1.830 1.00 0.00 C ATOM 203 O VAL A 15 4.541 6.295 -1.929 1.00 0.00 O ATOM 204 CB VAL A 15 3.825 9.481 -2.909 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.029 8.654 -4.180 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.481 10.210 -2.939 1.00 0.00 C ATOM 0 H VAL A 15 4.197 10.419 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 15 2.965 8.164 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 15 4.613 10.234 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.937 9.300 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.021 8.203 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.274 7.869 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.421 10.825 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.671 9.480 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.392 10.845 -2.057 1.00 0.00 H new ATOM 216 N ALA A 16 6.215 7.815 -1.860 1.00 0.00 N ATOM 217 CA ALA A 16 7.268 6.826 -2.017 1.00 0.00 C ATOM 218 C ALA A 16 7.298 5.919 -0.785 1.00 0.00 C ATOM 219 O ALA A 16 7.392 4.699 -0.910 1.00 0.00 O ATOM 220 CB ALA A 16 8.603 7.536 -2.251 1.00 0.00 C ATOM 0 H ALA A 16 6.542 8.778 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 16 7.077 6.196 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.394 6.795 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.538 8.144 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.829 8.175 -1.398 1.00 0.00 H new ATOM 226 N ARG A 17 7.217 6.550 0.377 1.00 0.00 N ATOM 227 CA ARG A 17 7.233 5.815 1.631 1.00 0.00 C ATOM 228 C ARG A 17 6.136 4.749 1.635 1.00 0.00 C ATOM 229 O ARG A 17 6.387 3.596 1.983 1.00 0.00 O ATOM 230 CB ARG A 17 7.028 6.753 2.822 1.00 0.00 C ATOM 231 CG ARG A 17 8.205 6.667 3.796 1.00 0.00 C ATOM 232 CD ARG A 17 7.948 5.612 4.875 1.00 0.00 C ATOM 233 NE ARG A 17 8.612 4.342 4.509 1.00 0.00 N ATOM 234 CZ ARG A 17 9.936 4.141 4.571 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.744 5.127 4.985 1.00 0.00 N ATOM 236 NH2 ARG A 17 10.451 2.955 4.220 1.00 0.00 N ATOM 0 H ARG A 17 7.140 7.562 0.477 1.00 0.00 H new ATOM 0 HA ARG A 17 8.209 5.338 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.919 7.778 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.104 6.494 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.116 6.420 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.367 7.638 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.323 5.964 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.876 5.451 4.990 1.00 0.00 H new ATOM 0 HE ARG A 17 8.026 3.571 4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.351 6.030 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.751 4.975 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.836 2.205 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.458 2.802 4.267 1.00 0.00 H new ATOM 250 N ILE A 18 4.943 5.172 1.245 1.00 0.00 N ATOM 251 CA ILE A 18 3.806 4.267 1.199 1.00 0.00 C ATOM 252 C ILE A 18 4.072 3.173 0.164 1.00 0.00 C ATOM 253 O ILE A 18 4.025 1.986 0.484 1.00 0.00 O ATOM 254 CB ILE A 18 2.512 5.045 0.954 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.467 6.318 1.803 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.287 4.159 1.185 1.00 0.00 C ATOM 257 CD1 ILE A 18 3.058 6.070 3.192 1.00 0.00 C ATOM 0 H ILE A 18 4.738 6.129 0.958 1.00 0.00 H new ATOM 0 HA ILE A 18 3.675 3.771 2.161 1.00 0.00 H new ATOM 0 HB ILE A 18 2.493 5.354 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.022 7.112 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.436 6.660 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.381 4.737 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.318 3.310 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.288 3.798 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.014 6.990 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.486 5.292 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.096 5.751 3.094 1.00 0.00 H new ATOM 269 N GLU A 19 4.345 3.611 -1.057 1.00 0.00 N ATOM 270 CA GLU A 19 4.618 2.683 -2.141 1.00 0.00 C ATOM 271 C GLU A 19 5.726 1.708 -1.739 1.00 0.00 C ATOM 272 O GLU A 19 5.567 0.495 -1.870 1.00 0.00 O ATOM 273 CB GLU A 19 4.985 3.432 -3.424 1.00 0.00 C ATOM 274 CG GLU A 19 4.692 2.580 -4.660 1.00 0.00 C ATOM 275 CD GLU A 19 5.985 2.195 -5.380 1.00 0.00 C ATOM 276 OE1 GLU A 19 6.727 3.129 -5.753 1.00 0.00 O ATOM 277 OE2 GLU A 19 6.203 0.975 -5.542 1.00 0.00 O ATOM 0 H GLU A 19 4.383 4.596 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 19 3.712 2.110 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.422 4.364 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.042 3.698 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.154 1.679 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.043 3.131 -5.340 1.00 0.00 H new ATOM 284 N GLU A 20 6.823 2.274 -1.257 1.00 0.00 N ATOM 285 CA GLU A 20 7.956 1.469 -0.835 1.00 0.00 C ATOM 286 C GLU A 20 7.581 0.621 0.382 1.00 0.00 C ATOM 287 O GLU A 20 7.879 -0.572 0.427 1.00 0.00 O ATOM 288 CB GLU A 20 9.172 2.349 -0.537 1.00 0.00 C ATOM 289 CG GLU A 20 10.475 1.592 -0.803 1.00 0.00 C ATOM 290 CD GLU A 20 10.594 1.207 -2.279 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.731 2.140 -3.100 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.545 -0.012 -2.553 1.00 0.00 O ATOM 0 H GLU A 20 6.951 3.280 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 20 8.225 0.798 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.136 3.246 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.143 2.676 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.325 2.211 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.511 0.695 -0.185 1.00 0.00 H new ATOM 299 N ALA A 21 6.934 1.270 1.339 1.00 0.00 N ATOM 300 CA ALA A 21 6.516 0.590 2.553 1.00 0.00 C ATOM 301 C ALA A 21 5.686 -0.641 2.183 1.00 0.00 C ATOM 302 O ALA A 21 5.694 -1.639 2.902 1.00 0.00 O ATOM 303 CB ALA A 21 5.745 1.565 3.445 1.00 0.00 C ATOM 0 H ALA A 21 6.689 2.259 1.298 1.00 0.00 H new ATOM 0 HA ALA A 21 7.383 0.246 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.431 1.055 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.387 2.407 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.866 1.929 2.912 1.00 0.00 H new ATOM 309 N VAL A 22 4.990 -0.531 1.061 1.00 0.00 N ATOM 310 CA VAL A 22 4.157 -1.622 0.586 1.00 0.00 C ATOM 311 C VAL A 22 5.049 -2.738 0.037 1.00 0.00 C ATOM 312 O VAL A 22 4.763 -3.918 0.232 1.00 0.00 O ATOM 313 CB VAL A 22 3.148 -1.103 -0.441 1.00 0.00 C ATOM 314 CG1 VAL A 22 2.262 -2.237 -0.960 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.303 0.030 0.145 1.00 0.00 C ATOM 0 H VAL A 22 4.986 0.298 0.467 1.00 0.00 H new ATOM 0 HA VAL A 22 3.577 -2.044 1.407 1.00 0.00 H new ATOM 0 HB VAL A 22 3.706 -0.701 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.554 -1.841 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.884 -2.997 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.716 -2.682 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.594 0.381 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.759 -0.335 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.953 0.853 0.442 1.00 0.00 H new ATOM 325 N GLY A 23 6.111 -2.324 -0.638 1.00 0.00 N ATOM 326 CA GLY A 23 7.046 -3.273 -1.217 1.00 0.00 C ATOM 327 C GLY A 23 7.752 -4.082 -0.126 1.00 0.00 C ATOM 328 O GLY A 23 8.450 -5.051 -0.420 1.00 0.00 O ATOM 0 H GLY A 23 6.345 -1.344 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.516 -3.947 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.785 -2.741 -1.816 1.00 0.00 H new ATOM 332 N ARG A 24 7.545 -3.653 1.110 1.00 0.00 N ATOM 333 CA ARG A 24 8.153 -4.326 2.246 1.00 0.00 C ATOM 334 C ARG A 24 7.263 -5.477 2.720 1.00 0.00 C ATOM 335 O ARG A 24 7.744 -6.422 3.342 1.00 0.00 O ATOM 336 CB ARG A 24 8.377 -3.353 3.406 1.00 0.00 C ATOM 337 CG ARG A 24 8.635 -4.108 4.712 1.00 0.00 C ATOM 338 CD ARG A 24 9.597 -3.331 5.613 1.00 0.00 C ATOM 339 NE ARG A 24 10.997 -3.629 5.236 1.00 0.00 N ATOM 340 CZ ARG A 24 12.068 -3.160 5.891 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.906 -2.368 6.960 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.301 -3.483 5.477 1.00 0.00 N ATOM 0 H ARG A 24 6.966 -2.849 1.350 1.00 0.00 H new ATOM 0 HA ARG A 24 9.117 -4.718 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.224 -2.704 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.504 -2.710 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.692 -4.270 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.051 -5.091 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.408 -2.261 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.428 -3.599 6.656 1.00 0.00 H new ATOM 0 HE ARG A 24 11.157 -4.229 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.968 -2.122 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.721 -2.011 7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.424 -4.086 4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.116 -3.126 5.975 1.00 0.00 H new ATOM 356 N ILE A 25 5.981 -5.359 2.407 1.00 0.00 N ATOM 357 CA ILE A 25 5.020 -6.378 2.793 1.00 0.00 C ATOM 358 C ILE A 25 5.299 -7.660 2.007 1.00 0.00 C ATOM 359 O ILE A 25 5.147 -7.690 0.786 1.00 0.00 O ATOM 360 CB ILE A 25 3.591 -5.856 2.630 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.386 -4.564 3.424 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.569 -6.929 3.009 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.406 -3.631 2.709 1.00 0.00 C ATOM 0 H ILE A 25 5.586 -4.573 1.891 1.00 0.00 H new ATOM 0 HA ILE A 25 5.127 -6.622 3.850 1.00 0.00 H new ATOM 0 HB ILE A 25 3.432 -5.617 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.009 -4.800 4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.343 -4.059 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.562 -6.532 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.699 -7.799 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.717 -7.222 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.278 -2.720 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.798 -3.377 1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.443 -4.130 2.599 1.00 0.00 H new ATOM 375 N SER A 26 5.703 -8.689 2.738 1.00 0.00 N ATOM 376 CA SER A 26 6.005 -9.971 2.124 1.00 0.00 C ATOM 377 C SER A 26 4.737 -10.570 1.512 1.00 0.00 C ATOM 378 O SER A 26 3.917 -11.151 2.220 1.00 0.00 O ATOM 379 CB SER A 26 6.612 -10.939 3.141 1.00 0.00 C ATOM 380 OG SER A 26 7.001 -12.171 2.539 1.00 0.00 O ATOM 0 H SER A 26 5.828 -8.661 3.750 1.00 0.00 H new ATOM 0 HA SER A 26 6.739 -9.808 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.479 -10.475 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.888 -11.135 3.932 1.00 0.00 H new ATOM 0 HG SER A 26 7.385 -12.761 3.221 1.00 0.00 H new ATOM 386 N GLY A 27 4.617 -10.406 0.202 1.00 0.00 N ATOM 387 CA GLY A 27 3.463 -10.923 -0.513 1.00 0.00 C ATOM 388 C GLY A 27 2.996 -9.938 -1.586 1.00 0.00 C ATOM 389 O GLY A 27 2.184 -10.285 -2.443 1.00 0.00 O ATOM 0 H GLY A 27 5.300 -9.923 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.715 -11.877 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.651 -11.113 0.189 1.00 0.00 H new ATOM 393 N VAL A 28 3.528 -8.727 -1.504 1.00 0.00 N ATOM 394 CA VAL A 28 3.176 -7.689 -2.458 1.00 0.00 C ATOM 395 C VAL A 28 4.019 -7.857 -3.724 1.00 0.00 C ATOM 396 O VAL A 28 5.235 -8.023 -3.646 1.00 0.00 O ATOM 397 CB VAL A 28 3.336 -6.310 -1.812 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.715 -5.257 -2.856 1.00 0.00 C ATOM 399 CG2 VAL A 28 2.066 -5.906 -1.062 1.00 0.00 C ATOM 0 H VAL A 28 4.200 -8.442 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 28 2.130 -7.778 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 28 4.148 -6.371 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.823 -4.287 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.658 -5.534 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.934 -5.199 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.206 -4.923 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.228 -5.871 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.857 -6.636 -0.280 1.00 0.00 H new ATOM 409 N LYS A 29 3.339 -7.810 -4.859 1.00 0.00 N ATOM 410 CA LYS A 29 4.009 -7.955 -6.140 1.00 0.00 C ATOM 411 C LYS A 29 4.140 -6.582 -6.802 1.00 0.00 C ATOM 412 O LYS A 29 5.219 -6.209 -7.259 1.00 0.00 O ATOM 413 CB LYS A 29 3.289 -8.990 -7.007 1.00 0.00 C ATOM 414 CG LYS A 29 4.291 -9.869 -7.758 1.00 0.00 C ATOM 415 CD LYS A 29 3.820 -11.324 -7.801 1.00 0.00 C ATOM 416 CE LYS A 29 5.008 -12.287 -7.756 1.00 0.00 C ATOM 417 NZ LYS A 29 5.487 -12.583 -9.125 1.00 0.00 N ATOM 0 H LYS A 29 2.330 -7.673 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 29 5.020 -8.338 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.651 -9.613 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.639 -8.483 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.419 -9.494 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.265 -9.813 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.156 -11.520 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.242 -11.496 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.816 -11.851 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.716 -13.212 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.293 -13.238 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.719 -13.019 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.785 -11.700 -9.587 1.00 0.00 H new ATOM 431 N LYS A 30 3.025 -5.867 -6.832 1.00 0.00 N ATOM 432 CA LYS A 30 3.001 -4.543 -7.430 1.00 0.00 C ATOM 433 C LYS A 30 2.438 -3.542 -6.420 1.00 0.00 C ATOM 434 O LYS A 30 1.636 -3.906 -5.560 1.00 0.00 O ATOM 435 CB LYS A 30 2.242 -4.569 -8.758 1.00 0.00 C ATOM 436 CG LYS A 30 2.656 -5.776 -9.603 1.00 0.00 C ATOM 437 CD LYS A 30 3.370 -5.332 -10.881 1.00 0.00 C ATOM 438 CE LYS A 30 3.703 -6.533 -11.768 1.00 0.00 C ATOM 439 NZ LYS A 30 4.945 -6.284 -12.534 1.00 0.00 N ATOM 0 H LYS A 30 2.132 -6.180 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 30 4.012 -4.217 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.169 -4.605 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.437 -3.650 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.313 -6.423 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.775 -6.364 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.739 -4.633 -11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.286 -4.800 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.821 -7.425 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.878 -6.726 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.156 -7.109 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.820 -5.445 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.733 -6.123 -11.875 1.00 0.00 H new ATOM 453 N VAL A 31 2.879 -2.300 -6.556 1.00 0.00 N ATOM 454 CA VAL A 31 2.429 -1.243 -5.666 1.00 0.00 C ATOM 455 C VAL A 31 2.581 0.108 -6.367 1.00 0.00 C ATOM 456 O VAL A 31 3.528 0.315 -7.125 1.00 0.00 O ATOM 457 CB VAL A 31 3.188 -1.318 -4.340 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.699 -1.352 -4.575 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.802 -0.157 -3.421 1.00 0.00 C ATOM 0 H VAL A 31 3.544 -2.002 -7.270 1.00 0.00 H new ATOM 0 HA VAL A 31 1.373 -1.368 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 31 2.905 -2.246 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.215 -1.405 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.955 -2.226 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.006 -0.449 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.356 -0.234 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.042 0.788 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.733 -0.197 -3.214 1.00 0.00 H new ATOM 469 N LYS A 32 1.635 0.993 -6.089 1.00 0.00 N ATOM 470 CA LYS A 32 1.652 2.319 -6.684 1.00 0.00 C ATOM 471 C LYS A 32 0.880 3.286 -5.785 1.00 0.00 C ATOM 472 O LYS A 32 0.096 2.861 -4.938 1.00 0.00 O ATOM 473 CB LYS A 32 1.132 2.268 -8.122 1.00 0.00 C ATOM 474 CG LYS A 32 1.657 3.451 -8.937 1.00 0.00 C ATOM 475 CD LYS A 32 0.504 4.271 -9.519 1.00 0.00 C ATOM 476 CE LYS A 32 -0.452 4.732 -8.417 1.00 0.00 C ATOM 477 NZ LYS A 32 -1.842 4.781 -8.923 1.00 0.00 N ATOM 0 H LYS A 32 0.852 0.818 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 32 2.674 2.693 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.440 1.333 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.042 2.279 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.277 4.086 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.293 3.087 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.900 5.138 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.040 3.673 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.392 4.052 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.155 5.717 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.480 5.079 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.902 5.460 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.122 3.838 -9.259 1.00 0.00 H new ATOM 491 N VAL A 33 1.130 4.570 -5.999 1.00 0.00 N ATOM 492 CA VAL A 33 0.468 5.601 -5.218 1.00 0.00 C ATOM 493 C VAL A 33 0.342 6.871 -6.062 1.00 0.00 C ATOM 494 O VAL A 33 1.191 7.144 -6.910 1.00 0.00 O ATOM 495 CB VAL A 33 1.221 5.828 -3.905 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.577 6.951 -3.091 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.301 4.536 -3.090 1.00 0.00 C ATOM 0 H VAL A 33 1.782 4.919 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.541 5.288 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 33 2.238 6.134 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.131 7.092 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.595 7.875 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.455 6.687 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.841 4.724 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.294 4.188 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.825 3.774 -3.667 1.00 0.00 H new ATOM 507 N GLN A 34 -0.723 7.614 -5.800 1.00 0.00 N ATOM 508 CA GLN A 34 -0.971 8.849 -6.524 1.00 0.00 C ATOM 509 C GLN A 34 -1.149 10.012 -5.546 1.00 0.00 C ATOM 510 O GLN A 34 -2.160 10.093 -4.851 1.00 0.00 O ATOM 511 CB GLN A 34 -2.188 8.712 -7.441 1.00 0.00 C ATOM 512 CG GLN A 34 -1.789 8.131 -8.799 1.00 0.00 C ATOM 513 CD GLN A 34 -2.572 8.798 -9.932 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.582 10.009 -10.084 1.00 0.00 O ATOM 515 NE2 GLN A 34 -3.224 7.944 -10.715 1.00 0.00 N ATOM 0 H GLN A 34 -1.424 7.384 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.105 9.059 -7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.932 8.069 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.654 9.688 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.720 8.272 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.974 7.057 -8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.173 6.942 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.776 8.291 -11.500 1.00 0.00 H new ATOM 524 N LEU A 35 -0.151 10.883 -5.523 1.00 0.00 N ATOM 525 CA LEU A 35 -0.184 12.037 -4.642 1.00 0.00 C ATOM 526 C LEU A 35 -1.319 12.969 -5.073 1.00 0.00 C ATOM 527 O LEU A 35 -1.850 12.839 -6.174 1.00 0.00 O ATOM 528 CB LEU A 35 1.186 12.717 -4.596 1.00 0.00 C ATOM 529 CG LEU A 35 1.400 13.719 -3.460 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.965 13.126 -2.118 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.849 14.210 -3.427 1.00 0.00 C ATOM 0 H LEU A 35 0.686 10.812 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.395 11.728 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.951 11.944 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.346 13.232 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 35 0.770 14.589 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.127 13.858 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.093 12.866 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.550 12.230 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.974 14.921 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.517 13.362 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.090 14.697 -4.372 1.00 0.00 H new ATOM 543 N LYS A 36 -1.657 13.889 -4.181 1.00 0.00 N ATOM 544 CA LYS A 36 -2.718 14.843 -4.455 1.00 0.00 C ATOM 545 C LYS A 36 -3.992 14.086 -4.835 1.00 0.00 C ATOM 546 O LYS A 36 -4.905 14.658 -5.429 1.00 0.00 O ATOM 547 CB LYS A 36 -2.269 15.857 -5.509 1.00 0.00 C ATOM 548 CG LYS A 36 -1.114 16.714 -4.987 1.00 0.00 C ATOM 549 CD LYS A 36 -0.893 17.938 -5.878 1.00 0.00 C ATOM 550 CE LYS A 36 -0.073 19.006 -5.150 1.00 0.00 C ATOM 551 NZ LYS A 36 -0.637 20.351 -5.399 1.00 0.00 N ATOM 0 H LYS A 36 -1.215 13.994 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.946 15.426 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.959 15.334 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.107 16.498 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.327 17.036 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.202 16.118 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.378 17.639 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.855 18.354 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.066 18.801 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.963 18.971 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.069 21.064 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.621 20.551 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.618 20.385 -5.055 1.00 0.00 H new ATOM 565 N LYS A 37 -4.013 12.810 -4.477 1.00 0.00 N ATOM 566 CA LYS A 37 -5.161 11.969 -4.773 1.00 0.00 C ATOM 567 C LYS A 37 -5.679 11.346 -3.475 1.00 0.00 C ATOM 568 O LYS A 37 -6.887 11.273 -3.256 1.00 0.00 O ATOM 569 CB LYS A 37 -4.808 10.941 -5.850 1.00 0.00 C ATOM 570 CG LYS A 37 -5.919 10.842 -6.898 1.00 0.00 C ATOM 571 CD LYS A 37 -5.711 9.626 -7.803 1.00 0.00 C ATOM 572 CE LYS A 37 -5.716 10.034 -9.278 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.067 9.865 -9.858 1.00 0.00 N ATOM 0 H LYS A 37 -3.254 12.338 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.974 12.565 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.872 11.221 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.650 9.966 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.887 10.769 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.937 11.750 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.765 9.144 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.498 8.894 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.399 11.072 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.998 9.429 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.053 10.146 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.355 8.869 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.744 10.461 -9.341 1.00 0.00 H new ATOM 587 N GLU A 38 -4.739 10.912 -2.648 1.00 0.00 N ATOM 588 CA GLU A 38 -5.085 10.298 -1.377 1.00 0.00 C ATOM 589 C GLU A 38 -5.576 8.865 -1.597 1.00 0.00 C ATOM 590 O GLU A 38 -6.410 8.368 -0.842 1.00 0.00 O ATOM 591 CB GLU A 38 -6.133 11.128 -0.634 1.00 0.00 C ATOM 592 CG GLU A 38 -5.772 12.615 -0.658 1.00 0.00 C ATOM 593 CD GLU A 38 -6.974 13.477 -0.265 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.070 13.201 -0.799 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.769 14.394 0.560 1.00 0.00 O ATOM 0 H GLU A 38 -3.738 10.973 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.190 10.264 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.111 10.980 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.209 10.785 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.945 12.803 0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.430 12.894 -1.655 1.00 0.00 H new ATOM 602 N LYS A 39 -5.037 8.242 -2.635 1.00 0.00 N ATOM 603 CA LYS A 39 -5.410 6.876 -2.963 1.00 0.00 C ATOM 604 C LYS A 39 -4.165 6.106 -3.410 1.00 0.00 C ATOM 605 O LYS A 39 -3.335 6.636 -4.147 1.00 0.00 O ATOM 606 CB LYS A 39 -6.544 6.862 -3.990 1.00 0.00 C ATOM 607 CG LYS A 39 -7.044 8.280 -4.274 1.00 0.00 C ATOM 608 CD LYS A 39 -8.383 8.252 -5.013 1.00 0.00 C ATOM 609 CE LYS A 39 -9.405 9.164 -4.332 1.00 0.00 C ATOM 610 NZ LYS A 39 -9.466 10.475 -5.017 1.00 0.00 N ATOM 0 H LYS A 39 -4.346 8.657 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.802 6.366 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.196 6.403 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.367 6.250 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.153 8.825 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.306 8.817 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.239 8.569 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.764 7.231 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.388 8.693 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.135 9.306 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.384 10.925 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.701 11.086 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.356 10.337 -6.042 1.00 0.00 H new ATOM 624 N ALA A 40 -4.076 4.868 -2.947 1.00 0.00 N ATOM 625 CA ALA A 40 -2.947 4.020 -3.290 1.00 0.00 C ATOM 626 C ALA A 40 -3.464 2.687 -3.835 1.00 0.00 C ATOM 627 O ALA A 40 -4.532 2.223 -3.440 1.00 0.00 O ATOM 628 CB ALA A 40 -2.052 3.841 -2.062 1.00 0.00 C ATOM 0 H ALA A 40 -4.767 4.432 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.342 4.482 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.205 3.205 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.688 4.814 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.624 3.376 -1.259 1.00 0.00 H new ATOM 634 N VAL A 41 -2.681 2.109 -4.733 1.00 0.00 N ATOM 635 CA VAL A 41 -3.045 0.838 -5.337 1.00 0.00 C ATOM 636 C VAL A 41 -1.933 -0.181 -5.080 1.00 0.00 C ATOM 637 O VAL A 41 -0.753 0.133 -5.226 1.00 0.00 O ATOM 638 CB VAL A 41 -3.347 1.032 -6.824 1.00 0.00 C ATOM 639 CG1 VAL A 41 -4.006 -0.214 -7.417 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.215 2.272 -7.050 1.00 0.00 C ATOM 0 H VAL A 41 -1.795 2.497 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.956 0.447 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.400 1.187 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.210 -0.049 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.337 -1.067 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.941 -0.415 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.415 2.387 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.157 2.159 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.692 3.154 -6.682 1.00 0.00 H new ATOM 650 N VAL A 42 -2.350 -1.381 -4.703 1.00 0.00 N ATOM 651 CA VAL A 42 -1.404 -2.448 -4.425 1.00 0.00 C ATOM 652 C VAL A 42 -1.889 -3.740 -5.086 1.00 0.00 C ATOM 653 O VAL A 42 -3.088 -3.923 -5.292 1.00 0.00 O ATOM 654 CB VAL A 42 -1.202 -2.589 -2.915 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.214 -3.712 -2.596 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.747 -1.265 -2.297 1.00 0.00 C ATOM 0 H VAL A 42 -3.330 -1.638 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.428 -2.212 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.162 -2.853 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.089 -3.791 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.597 -4.655 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.749 -3.492 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.611 -1.393 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.196 -0.958 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.502 -0.500 -2.479 1.00 0.00 H new ATOM 666 N LYS A 43 -0.934 -4.602 -5.401 1.00 0.00 N ATOM 667 CA LYS A 43 -1.249 -5.870 -6.034 1.00 0.00 C ATOM 668 C LYS A 43 -0.518 -6.997 -5.302 1.00 0.00 C ATOM 669 O LYS A 43 0.663 -7.237 -5.546 1.00 0.00 O ATOM 670 CB LYS A 43 -0.944 -5.812 -7.533 1.00 0.00 C ATOM 671 CG LYS A 43 -1.821 -6.796 -8.310 1.00 0.00 C ATOM 672 CD LYS A 43 -1.491 -6.763 -9.803 1.00 0.00 C ATOM 673 CE LYS A 43 -2.717 -7.127 -10.644 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.626 -6.511 -11.986 1.00 0.00 N ATOM 0 H LYS A 43 0.059 -4.447 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.316 -6.078 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.111 -4.800 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.107 -6.044 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.673 -7.804 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.872 -6.548 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.138 -5.769 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.680 -7.460 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.792 -8.210 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.623 -6.788 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.465 -6.768 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.577 -5.477 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.771 -6.855 -12.469 1.00 0.00 H new ATOM 688 N PHE A 44 -1.251 -7.659 -4.418 1.00 0.00 N ATOM 689 CA PHE A 44 -0.687 -8.754 -3.648 1.00 0.00 C ATOM 690 C PHE A 44 -1.630 -9.959 -3.636 1.00 0.00 C ATOM 691 O PHE A 44 -2.703 -9.917 -4.236 1.00 0.00 O ATOM 692 CB PHE A 44 -0.506 -8.248 -2.216 1.00 0.00 C ATOM 693 CG PHE A 44 -1.789 -7.708 -1.581 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.363 -6.575 -2.065 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.356 -8.362 -0.531 1.00 0.00 C ATOM 696 CE1 PHE A 44 -3.554 -6.074 -1.476 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.546 -7.861 0.059 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.120 -6.727 -0.426 1.00 0.00 C ATOM 0 H PHE A 44 -2.231 -7.458 -4.218 1.00 0.00 H new ATOM 0 HA PHE A 44 0.258 -9.071 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.122 -9.061 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.248 -7.461 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.913 -6.055 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.901 -9.263 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.010 -5.174 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.996 -8.380 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.025 -6.345 0.023 1.00 0.00 H new ATOM 708 N ASP A 45 -1.196 -11.003 -2.947 1.00 0.00 N ATOM 709 CA ASP A 45 -1.988 -12.217 -2.849 1.00 0.00 C ATOM 710 C ASP A 45 -2.795 -12.190 -1.549 1.00 0.00 C ATOM 711 O ASP A 45 -2.253 -11.902 -0.483 1.00 0.00 O ATOM 712 CB ASP A 45 -1.094 -13.458 -2.824 1.00 0.00 C ATOM 713 CG ASP A 45 -1.823 -14.776 -2.553 1.00 0.00 C ATOM 714 OD1 ASP A 45 -2.937 -14.931 -3.099 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.250 -15.598 -1.806 1.00 0.00 O ATOM 0 H ASP A 45 -0.305 -11.034 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.644 -12.263 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.579 -13.535 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.328 -13.320 -2.061 1.00 0.00 H new ATOM 720 N GLU A 46 -4.078 -12.496 -1.680 1.00 0.00 N ATOM 721 CA GLU A 46 -4.965 -12.510 -0.529 1.00 0.00 C ATOM 722 C GLU A 46 -4.715 -13.760 0.318 1.00 0.00 C ATOM 723 O GLU A 46 -5.020 -13.778 1.509 1.00 0.00 O ATOM 724 CB GLU A 46 -6.429 -12.427 -0.965 1.00 0.00 C ATOM 725 CG GLU A 46 -7.305 -11.872 0.161 1.00 0.00 C ATOM 726 CD GLU A 46 -7.479 -10.358 0.025 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.342 -9.956 -0.785 1.00 0.00 O ATOM 728 OE2 GLU A 46 -6.744 -9.637 0.734 1.00 0.00 O ATOM 0 H GLU A 46 -4.524 -12.736 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.751 -11.633 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.515 -11.790 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.783 -13.417 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.281 -12.357 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.854 -12.105 1.126 1.00 0.00 H new ATOM 735 N ALA A 47 -4.163 -14.775 -0.331 1.00 0.00 N ATOM 736 CA ALA A 47 -3.869 -16.025 0.348 1.00 0.00 C ATOM 737 C ALA A 47 -2.489 -15.933 1.003 1.00 0.00 C ATOM 738 O ALA A 47 -1.928 -16.944 1.421 1.00 0.00 O ATOM 739 CB ALA A 47 -3.965 -17.182 -0.649 1.00 0.00 C ATOM 0 H ALA A 47 -3.912 -14.757 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.597 -16.213 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.744 -18.120 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.972 -17.222 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.247 -17.029 -1.454 1.00 0.00 H new ATOM 745 N ASN A 48 -1.983 -14.711 1.071 1.00 0.00 N ATOM 746 CA ASN A 48 -0.679 -14.473 1.668 1.00 0.00 C ATOM 747 C ASN A 48 -0.755 -13.243 2.575 1.00 0.00 C ATOM 748 O ASN A 48 -0.367 -13.302 3.741 1.00 0.00 O ATOM 749 CB ASN A 48 0.377 -14.205 0.595 1.00 0.00 C ATOM 750 CG ASN A 48 1.583 -15.131 0.769 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.689 -14.705 1.060 1.00 0.00 O ATOM 752 ND2 ASN A 48 1.309 -16.418 0.576 1.00 0.00 N ATOM 0 H ASN A 48 -2.452 -13.875 0.723 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.400 -15.362 2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.059 -14.351 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.701 -13.166 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.047 -17.116 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.361 -16.707 0.334 1.00 0.00 H new ATOM 759 N VAL A 49 -1.257 -12.157 2.005 1.00 0.00 N ATOM 760 CA VAL A 49 -1.389 -10.915 2.747 1.00 0.00 C ATOM 761 C VAL A 49 -2.773 -10.315 2.488 1.00 0.00 C ATOM 762 O VAL A 49 -3.393 -10.596 1.464 1.00 0.00 O ATOM 763 CB VAL A 49 -0.247 -9.964 2.382 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.531 -8.548 2.887 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.089 -10.480 2.920 1.00 0.00 C ATOM 0 H VAL A 49 -1.577 -12.112 1.038 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.311 -11.100 3.818 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.178 -9.925 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.296 -7.892 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.452 -8.178 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.640 -8.563 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.884 -9.786 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.037 -10.563 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.300 -11.460 2.491 1.00 0.00 H new ATOM 775 N GLN A 50 -3.216 -9.501 3.435 1.00 0.00 N ATOM 776 CA GLN A 50 -4.514 -8.859 3.322 1.00 0.00 C ATOM 777 C GLN A 50 -4.348 -7.344 3.183 1.00 0.00 C ATOM 778 O GLN A 50 -3.417 -6.765 3.741 1.00 0.00 O ATOM 779 CB GLN A 50 -5.403 -9.206 4.518 1.00 0.00 C ATOM 780 CG GLN A 50 -5.346 -10.703 4.828 1.00 0.00 C ATOM 781 CD GLN A 50 -6.719 -11.229 5.250 1.00 0.00 C ATOM 782 OE1 GLN A 50 -7.594 -10.489 5.670 1.00 0.00 O ATOM 783 NE2 GLN A 50 -6.860 -12.544 5.115 1.00 0.00 N ATOM 0 H GLN A 50 -2.699 -9.272 4.284 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.006 -9.234 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.082 -8.638 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.432 -8.913 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.999 -11.247 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.623 -10.886 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.087 -13.106 4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.741 -12.991 5.369 1.00 0.00 H new ATOM 792 N ALA A 51 -5.264 -6.746 2.436 1.00 0.00 N ATOM 793 CA ALA A 51 -5.230 -5.310 2.217 1.00 0.00 C ATOM 794 C ALA A 51 -5.231 -4.593 3.568 1.00 0.00 C ATOM 795 O ALA A 51 -4.510 -3.614 3.756 1.00 0.00 O ATOM 796 CB ALA A 51 -6.413 -4.900 1.338 1.00 0.00 C ATOM 0 H ALA A 51 -6.034 -7.230 1.975 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.319 -5.023 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.388 -3.823 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.350 -5.415 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.345 -5.170 1.834 1.00 0.00 H new ATOM 802 N THR A 52 -6.049 -5.107 4.475 1.00 0.00 N ATOM 803 CA THR A 52 -6.153 -4.527 5.803 1.00 0.00 C ATOM 804 C THR A 52 -4.771 -4.428 6.452 1.00 0.00 C ATOM 805 O THR A 52 -4.424 -3.398 7.028 1.00 0.00 O ATOM 806 CB THR A 52 -7.143 -5.370 6.610 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.618 -4.478 7.615 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.456 -6.487 7.398 1.00 0.00 C ATOM 0 H THR A 52 -6.646 -5.919 4.316 1.00 0.00 H new ATOM 0 HA THR A 52 -6.531 -3.506 5.760 1.00 0.00 H new ATOM 0 HB THR A 52 -7.883 -5.803 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.267 -4.942 8.184 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.204 -7.054 7.952 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.935 -7.151 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.739 -6.053 8.095 1.00 0.00 H new ATOM 816 N GLU A 53 -4.019 -5.513 6.336 1.00 0.00 N ATOM 817 CA GLU A 53 -2.682 -5.560 6.903 1.00 0.00 C ATOM 818 C GLU A 53 -1.764 -4.570 6.184 1.00 0.00 C ATOM 819 O GLU A 53 -0.925 -3.926 6.813 1.00 0.00 O ATOM 820 CB GLU A 53 -2.111 -6.979 6.844 1.00 0.00 C ATOM 821 CG GLU A 53 -1.661 -7.447 8.229 1.00 0.00 C ATOM 822 CD GLU A 53 -0.190 -7.102 8.473 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.163 -5.926 8.237 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.547 -8.021 8.891 1.00 0.00 O ATOM 0 H GLU A 53 -4.310 -6.366 5.858 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.744 -5.271 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.865 -7.662 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.267 -7.007 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.280 -6.978 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.805 -8.524 8.318 1.00 0.00 H new ATOM 831 N ILE A 54 -1.954 -4.478 4.876 1.00 0.00 N ATOM 832 CA ILE A 54 -1.154 -3.577 4.065 1.00 0.00 C ATOM 833 C ILE A 54 -1.398 -2.136 4.519 1.00 0.00 C ATOM 834 O ILE A 54 -0.472 -1.328 4.557 1.00 0.00 O ATOM 835 CB ILE A 54 -1.428 -3.808 2.578 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.948 -5.193 2.141 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.814 -2.694 1.727 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.480 -5.544 0.750 1.00 0.00 C ATOM 0 H ILE A 54 -2.651 -5.013 4.358 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.092 -3.780 4.205 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.506 -3.776 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.142 -5.219 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.280 -5.941 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.024 -2.883 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.245 -1.736 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.264 -2.669 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.124 -6.534 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.570 -5.541 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.126 -4.808 0.028 1.00 0.00 H new ATOM 850 N CYS A 55 -2.650 -1.859 4.852 1.00 0.00 N ATOM 851 CA CYS A 55 -3.028 -0.530 5.302 1.00 0.00 C ATOM 852 C CYS A 55 -2.316 -0.250 6.626 1.00 0.00 C ATOM 853 O CYS A 55 -1.799 0.846 6.838 1.00 0.00 O ATOM 854 CB CYS A 55 -4.546 -0.386 5.429 1.00 0.00 C ATOM 855 SG CYS A 55 -5.163 0.840 4.218 1.00 0.00 S ATOM 0 H CYS A 55 -3.416 -2.532 4.819 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.720 0.208 4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.026 -1.350 5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.806 -0.073 6.440 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.163 1.324 3.543 1.00 0.00 H new ATOM 861 N GLN A 56 -2.311 -1.260 7.484 1.00 0.00 N ATOM 862 CA GLN A 56 -1.671 -1.137 8.782 1.00 0.00 C ATOM 863 C GLN A 56 -0.204 -0.734 8.614 1.00 0.00 C ATOM 864 O GLN A 56 0.303 0.102 9.361 1.00 0.00 O ATOM 865 CB GLN A 56 -1.794 -2.436 9.580 1.00 0.00 C ATOM 866 CG GLN A 56 -2.173 -2.151 11.035 1.00 0.00 C ATOM 867 CD GLN A 56 -1.082 -1.340 11.737 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.934 -0.146 11.536 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.328 -2.053 12.570 1.00 0.00 N ATOM 0 H GLN A 56 -2.741 -2.168 7.305 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.181 -0.355 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.547 -3.078 9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.849 -2.979 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.116 -1.605 11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.330 -3.091 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.506 -3.050 12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.428 -1.603 13.086 1.00 0.00 H new ATOM 878 N ALA A 57 0.436 -1.347 7.629 1.00 0.00 N ATOM 879 CA ALA A 57 1.834 -1.063 7.354 1.00 0.00 C ATOM 880 C ALA A 57 1.989 0.418 7.004 1.00 0.00 C ATOM 881 O ALA A 57 3.034 1.014 7.261 1.00 0.00 O ATOM 882 CB ALA A 57 2.331 -1.981 6.236 1.00 0.00 C ATOM 0 H ALA A 57 0.012 -2.039 7.012 1.00 0.00 H new ATOM 0 HA ALA A 57 2.446 -1.260 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.380 -1.768 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.226 -3.021 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.742 -1.809 5.335 1.00 0.00 H new ATOM 888 N ILE A 58 0.934 0.970 6.422 1.00 0.00 N ATOM 889 CA ILE A 58 0.941 2.370 6.034 1.00 0.00 C ATOM 890 C ILE A 58 0.669 3.237 7.265 1.00 0.00 C ATOM 891 O ILE A 58 1.350 4.237 7.487 1.00 0.00 O ATOM 892 CB ILE A 58 -0.038 2.612 4.883 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.402 1.864 3.623 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.224 4.109 4.626 1.00 0.00 C ATOM 895 CD1 ILE A 58 1.895 2.064 3.360 1.00 0.00 C ATOM 0 H ILE A 58 0.069 0.473 6.210 1.00 0.00 H new ATOM 0 HA ILE A 58 1.922 2.655 5.653 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.010 2.212 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.188 0.801 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.172 2.218 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.924 4.253 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.616 4.586 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.736 4.556 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.182 1.522 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.102 3.126 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.467 1.687 4.208 1.00 0.00 H new ATOM 907 N ASN A 59 -0.328 2.823 8.033 1.00 0.00 N ATOM 908 CA ASN A 59 -0.698 3.549 9.236 1.00 0.00 C ATOM 909 C ASN A 59 0.452 3.482 10.242 1.00 0.00 C ATOM 910 O ASN A 59 0.653 4.410 11.023 1.00 0.00 O ATOM 911 CB ASN A 59 -1.936 2.934 9.892 1.00 0.00 C ATOM 912 CG ASN A 59 -3.209 3.655 9.444 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.223 4.849 9.198 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.275 2.864 9.354 1.00 0.00 N ATOM 0 H ASN A 59 -0.891 1.994 7.845 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.913 4.580 8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.002 1.877 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.844 2.991 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.174 3.250 9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.194 1.872 9.575 1.00 0.00 H new ATOM 921 N GLU A 60 1.178 2.374 10.189 1.00 0.00 N ATOM 922 CA GLU A 60 2.303 2.174 11.086 1.00 0.00 C ATOM 923 C GLU A 60 3.397 3.206 10.804 1.00 0.00 C ATOM 924 O GLU A 60 4.349 3.333 11.573 1.00 0.00 O ATOM 925 CB GLU A 60 2.850 0.750 10.970 1.00 0.00 C ATOM 926 CG GLU A 60 3.488 0.298 12.286 1.00 0.00 C ATOM 927 CD GLU A 60 5.014 0.377 12.211 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.594 -0.495 11.530 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.565 1.308 12.837 1.00 0.00 O ATOM 0 H GLU A 60 1.009 1.606 9.539 1.00 0.00 H new ATOM 0 HA GLU A 60 1.955 2.312 12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.044 0.068 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.588 0.704 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.128 0.923 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.184 -0.725 12.509 1.00 0.00 H new ATOM 936 N LEU A 61 3.226 3.916 9.699 1.00 0.00 N ATOM 937 CA LEU A 61 4.186 4.933 9.306 1.00 0.00 C ATOM 938 C LEU A 61 3.922 6.213 10.101 1.00 0.00 C ATOM 939 O LEU A 61 4.661 6.534 11.030 1.00 0.00 O ATOM 940 CB LEU A 61 4.162 5.135 7.789 1.00 0.00 C ATOM 941 CG LEU A 61 4.207 3.862 6.942 1.00 0.00 C ATOM 942 CD1 LEU A 61 3.842 4.159 5.486 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.567 3.171 7.062 1.00 0.00 C ATOM 0 H LEU A 61 2.436 3.807 9.063 1.00 0.00 H new ATOM 0 HA LEU A 61 5.200 4.612 9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.259 5.688 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.010 5.762 7.512 1.00 0.00 H new ATOM 0 HG LEU A 61 3.459 3.169 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.882 3.237 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.835 4.573 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.549 4.878 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.572 2.269 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.350 3.847 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.749 2.904 8.103 1.00 0.00 H new ATOM 955 N GLY A 62 2.866 6.909 9.707 1.00 0.00 N ATOM 956 CA GLY A 62 2.496 8.147 10.371 1.00 0.00 C ATOM 957 C GLY A 62 1.498 8.944 9.529 1.00 0.00 C ATOM 958 O GLY A 62 1.613 10.164 9.413 1.00 0.00 O ATOM 0 H GLY A 62 2.255 6.639 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.060 7.925 11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.387 8.748 10.550 1.00 0.00 H new ATOM 962 N TYR A 63 0.542 8.224 8.962 1.00 0.00 N ATOM 963 CA TYR A 63 -0.475 8.849 8.133 1.00 0.00 C ATOM 964 C TYR A 63 -1.824 8.146 8.297 1.00 0.00 C ATOM 965 O TYR A 63 -1.953 7.220 9.097 1.00 0.00 O ATOM 966 CB TYR A 63 0.000 8.685 6.688 1.00 0.00 C ATOM 967 CG TYR A 63 1.521 8.635 6.534 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.281 9.747 6.836 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.133 7.480 6.093 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.713 9.700 6.692 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.565 7.433 5.949 1.00 0.00 C ATOM 972 CZ TYR A 63 4.284 8.546 6.255 1.00 0.00 C ATOM 973 OH TYR A 63 5.637 8.502 6.118 1.00 0.00 O ATOM 0 H TYR A 63 0.450 7.213 9.060 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.610 9.894 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.427 7.770 6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.388 9.512 6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.802 10.652 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.538 6.611 5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.320 10.562 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.057 6.535 5.606 1.00 0.00 H new ATOM 0 HH TYR A 63 5.905 7.615 5.799 1.00 0.00 H new ATOM 983 N GLN A 64 -2.796 8.614 7.528 1.00 0.00 N ATOM 984 CA GLN A 64 -4.131 8.042 7.578 1.00 0.00 C ATOM 985 C GLN A 64 -4.385 7.177 6.342 1.00 0.00 C ATOM 986 O GLN A 64 -4.744 7.690 5.283 1.00 0.00 O ATOM 987 CB GLN A 64 -5.192 9.137 7.708 1.00 0.00 C ATOM 988 CG GLN A 64 -4.615 10.381 8.386 1.00 0.00 C ATOM 989 CD GLN A 64 -4.282 10.102 9.853 1.00 0.00 C ATOM 990 OE1 GLN A 64 -3.780 9.050 10.213 1.00 0.00 O ATOM 991 NE2 GLN A 64 -4.587 11.101 10.677 1.00 0.00 N ATOM 0 H GLN A 64 -2.686 9.383 6.867 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.200 7.408 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.572 9.400 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.037 8.763 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.716 10.702 7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.331 11.200 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.006 11.955 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.402 11.013 11.676 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.188 5.878 6.517 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.391 4.937 5.429 1.00 0.00 C ATOM 1002 C ALA A 65 -5.729 4.222 5.622 1.00 0.00 C ATOM 1003 O ALA A 65 -5.943 3.560 6.636 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.212 3.963 5.370 1.00 0.00 C ATOM 0 H ALA A 65 -3.890 5.455 7.396 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.431 5.459 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.364 3.257 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.289 4.518 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.142 3.419 6.312 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.596 4.380 4.633 1.00 0.00 N ATOM 1011 CA GLU A 66 -7.908 3.758 4.681 1.00 0.00 C ATOM 1012 C GLU A 66 -8.035 2.700 3.583 1.00 0.00 C ATOM 1013 O GLU A 66 -7.575 2.906 2.461 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.017 4.806 4.562 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.585 5.161 5.938 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.275 3.953 6.574 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -11.360 3.589 6.072 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -9.701 3.420 7.549 1.00 0.00 O ATOM 0 H GLU A 66 -6.415 4.930 3.793 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.019 3.266 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.625 5.703 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.814 4.427 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.782 5.510 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.296 5.981 5.841 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.660 1.589 3.945 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.852 0.498 3.005 1.00 0.00 C ATOM 1027 C VAL A 67 -10.124 0.749 2.192 1.00 0.00 C ATOM 1028 O VAL A 67 -11.183 1.020 2.757 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.874 -0.838 3.750 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.194 -1.992 2.798 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.551 -1.079 4.480 1.00 0.00 C ATOM 0 H VAL A 67 -9.040 1.421 4.877 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.020 0.449 2.302 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.666 -0.792 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.203 -2.930 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.172 -1.829 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.435 -2.040 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.592 -2.035 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.735 -1.095 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.382 -0.279 5.201 1.00 0.00 H new ATOM 1041 N ILE A 68 -9.978 0.650 0.879 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.102 0.863 -0.017 1.00 0.00 C ATOM 1043 C ILE A 68 -11.273 -0.364 -0.915 1.00 0.00 C ATOM 1044 O ILE A 68 -12.079 -0.350 -1.844 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.930 2.172 -0.791 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.715 2.952 -0.285 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.210 3.009 -0.743 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.760 4.406 -0.761 1.00 0.00 C ATOM 0 H ILE A 68 -9.098 0.425 0.414 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.026 0.974 0.551 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.743 1.929 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.687 2.923 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.800 2.478 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.061 3.934 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.030 2.445 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.452 3.245 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.885 4.938 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.763 4.432 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.664 4.884 -0.384 1.00 0.00 H new