USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 20 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.51) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 MET CE :methyl 134:sc= -2.14 (180deg=-6.65!) USER MOD Set 2.2: A 11 THR OG1 : rot 76:sc= 0.659 USER MOD Set 2.3: A 39 ASN : amide:sc= 0.564 K(o=-0.91,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0817 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -0.186 (180deg=-1.96!) USER MOD Single : A 6 SER OG : rot -2:sc= 0.899 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -114:sc= 1.24 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc= -2.67! C(o=-2.7!,f=-6.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -149:sc= -0.013 (180deg=-1.53) USER MOD Single : A 56 SER OG : rot 172:sc= 0.996 USER MOD Single : A 59 SER OG : rot -86:sc= 0.0643 USER MOD Single : A 63 SER OG : rot -48:sc= 1.26 USER MOD Single : A 64 MET CE :methyl -164:sc= 0 (180deg=-0.343) USER MOD Single : A 65 GLN : amide:sc= -2.34! C(o=-2.3!,f=-6.4!) USER MOD Single : A 71 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.16) USER MOD Single : A 74 CYS SG : rot -170:sc= -1.37 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.48) USER MOD Single : A 83 THR OG1 : rot -3:sc= 1.2 USER MOD Single : A 85 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.971 -6.710 0.235 1.00 0.00 N ATOM 2 CA GLY A 1 -19.336 -6.868 1.645 1.00 0.00 C ATOM 3 C GLY A 1 -19.301 -5.542 2.383 1.00 0.00 C ATOM 4 O GLY A 1 -19.273 -4.468 1.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.675 -7.190 -0.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.945 -5.699 -0.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.034 -7.129 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.335 -7.299 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.651 -7.569 2.122 1.00 0.00 H new ATOM 8 N HIS A 2 -19.320 -5.606 3.714 1.00 0.00 N ATOM 9 CA HIS A 2 -19.574 -4.482 4.605 1.00 0.00 C ATOM 10 C HIS A 2 -18.490 -4.375 5.678 1.00 0.00 C ATOM 11 O HIS A 2 -18.784 -4.208 6.859 1.00 0.00 O ATOM 12 CB HIS A 2 -21.009 -4.594 5.158 1.00 0.00 C ATOM 13 CG HIS A 2 -21.783 -3.319 4.985 1.00 0.00 C ATOM 14 ND1 HIS A 2 -21.421 -2.065 5.441 1.00 0.00 N ATOM 15 CD2 HIS A 2 -22.983 -3.215 4.346 1.00 0.00 C ATOM 16 CE1 HIS A 2 -22.385 -1.208 5.060 1.00 0.00 C ATOM 17 NE2 HIS A 2 -23.346 -1.886 4.405 1.00 0.00 N ATOM 0 H HIS A 2 -19.152 -6.477 4.217 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.516 -3.540 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -21.530 -5.406 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -20.970 -4.853 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -23.540 -4.017 3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -22.388 -0.145 5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -24.200 -1.484 4.017 1.00 0.00 H new ATOM 26 N SER A 3 -17.227 -4.473 5.266 1.00 0.00 N ATOM 27 CA SER A 3 -16.090 -4.123 6.102 1.00 0.00 C ATOM 28 C SER A 3 -16.190 -2.618 6.406 1.00 0.00 C ATOM 29 O SER A 3 -16.678 -2.223 7.467 1.00 0.00 O ATOM 30 CB SER A 3 -14.818 -4.550 5.359 1.00 0.00 C ATOM 31 OG SER A 3 -13.647 -4.345 6.111 1.00 0.00 O ATOM 0 H SER A 3 -16.967 -4.800 4.336 1.00 0.00 H new ATOM 0 HA SER A 3 -16.070 -4.635 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.894 -5.605 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.745 -3.993 4.425 1.00 0.00 H new ATOM 0 HG SER A 3 -12.869 -4.636 5.591 1.00 0.00 H new ATOM 37 N LYS A 4 -15.842 -1.757 5.442 1.00 0.00 N ATOM 38 CA LYS A 4 -16.099 -0.316 5.509 1.00 0.00 C ATOM 39 C LYS A 4 -16.380 0.238 4.120 1.00 0.00 C ATOM 40 O LYS A 4 -17.529 0.544 3.816 1.00 0.00 O ATOM 41 CB LYS A 4 -14.989 0.442 6.264 1.00 0.00 C ATOM 42 CG LYS A 4 -13.560 0.097 5.823 1.00 0.00 C ATOM 43 CD LYS A 4 -12.502 0.727 6.714 1.00 0.00 C ATOM 44 CE LYS A 4 -12.176 2.192 6.424 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.898 3.095 7.344 1.00 0.00 N ATOM 0 H LYS A 4 -15.369 -2.046 4.585 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.999 -0.154 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.146 1.513 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.086 0.233 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.435 -0.986 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.410 0.431 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.831 0.646 7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.585 0.145 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.102 2.354 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.443 2.429 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.336 3.957 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.818 3.349 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.049 2.615 8.254 1.00 0.00 H new ATOM 59 N MET A 5 -15.363 0.298 3.259 1.00 0.00 N ATOM 60 CA MET A 5 -15.393 1.091 2.036 1.00 0.00 C ATOM 61 C MET A 5 -16.470 0.610 1.056 1.00 0.00 C ATOM 62 O MET A 5 -16.953 1.391 0.239 1.00 0.00 O ATOM 63 CB MET A 5 -13.976 1.122 1.426 1.00 0.00 C ATOM 64 CG MET A 5 -13.768 2.313 0.478 1.00 0.00 C ATOM 65 SD MET A 5 -12.791 2.024 -1.021 1.00 0.00 S ATOM 66 CE MET A 5 -13.757 0.700 -1.767 1.00 0.00 C ATOM 0 H MET A 5 -14.488 -0.209 3.395 1.00 0.00 H new ATOM 0 HA MET A 5 -15.682 2.114 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.240 1.168 2.228 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.798 0.194 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.749 2.678 0.175 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.290 3.114 1.043 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.902 0.908 -2.827 1.00 0.00 H new ATOM 0 HE2 MET A 5 -13.228 -0.246 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.727 0.635 -1.274 1.00 0.00 H new ATOM 76 N SER A 6 -16.908 -0.652 1.160 1.00 0.00 N ATOM 77 CA SER A 6 -18.063 -1.283 0.504 1.00 0.00 C ATOM 78 C SER A 6 -17.999 -1.393 -1.033 1.00 0.00 C ATOM 79 O SER A 6 -18.840 -2.073 -1.624 1.00 0.00 O ATOM 80 CB SER A 6 -19.368 -0.659 1.004 1.00 0.00 C ATOM 81 OG SER A 6 -19.517 0.720 0.709 1.00 0.00 O ATOM 0 H SER A 6 -16.420 -1.318 1.759 1.00 0.00 H new ATOM 0 HA SER A 6 -18.028 -2.329 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.206 -1.203 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.429 -0.794 2.084 1.00 0.00 H new ATOM 0 HG SER A 6 -18.718 1.043 0.243 1.00 0.00 H new ATOM 87 N ASP A 7 -16.955 -0.827 -1.628 1.00 0.00 N ATOM 88 CA ASP A 7 -16.586 -0.688 -3.035 1.00 0.00 C ATOM 89 C ASP A 7 -17.056 0.674 -3.527 1.00 0.00 C ATOM 90 O ASP A 7 -18.153 1.119 -3.182 1.00 0.00 O ATOM 91 CB ASP A 7 -17.045 -1.818 -3.963 1.00 0.00 C ATOM 92 CG ASP A 7 -16.015 -1.961 -5.080 1.00 0.00 C ATOM 93 OD1 ASP A 7 -15.789 -0.959 -5.793 1.00 0.00 O ATOM 94 OD2 ASP A 7 -15.347 -3.017 -5.118 1.00 0.00 O ATOM 0 H ASP A 7 -16.241 -0.389 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.500 -0.766 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.138 -2.752 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.028 -1.595 -4.378 1.00 0.00 H new ATOM 99 N VAL A 8 -16.191 1.392 -4.233 1.00 0.00 N ATOM 100 CA VAL A 8 -16.309 2.792 -4.667 1.00 0.00 C ATOM 101 C VAL A 8 -15.634 2.914 -6.023 1.00 0.00 C ATOM 102 O VAL A 8 -15.178 3.982 -6.424 1.00 0.00 O ATOM 103 CB VAL A 8 -15.669 3.721 -3.611 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.965 5.224 -3.816 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.181 3.380 -2.213 1.00 0.00 C ATOM 0 H VAL A 8 -15.312 0.981 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.352 3.093 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.598 3.553 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.477 5.801 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.586 5.540 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.041 5.392 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.718 4.045 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.263 3.504 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.927 2.347 -1.974 1.00 0.00 H new ATOM 115 N LYS A 9 -15.588 1.772 -6.702 1.00 0.00 N ATOM 116 CA LYS A 9 -14.884 1.499 -7.939 1.00 0.00 C ATOM 117 C LYS A 9 -13.386 1.596 -7.678 1.00 0.00 C ATOM 118 O LYS A 9 -12.958 2.100 -6.636 1.00 0.00 O ATOM 119 CB LYS A 9 -15.369 2.461 -9.029 1.00 0.00 C ATOM 120 CG LYS A 9 -16.867 2.223 -9.276 1.00 0.00 C ATOM 121 CD LYS A 9 -16.966 1.396 -10.563 1.00 0.00 C ATOM 122 CE LYS A 9 -18.307 0.720 -10.791 1.00 0.00 C ATOM 123 NZ LYS A 9 -18.334 0.097 -12.137 1.00 0.00 N ATOM 0 H LYS A 9 -16.087 0.947 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.091 0.491 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.197 3.493 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.806 2.303 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.320 1.693 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.399 3.169 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.755 2.046 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.189 0.632 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.477 -0.038 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.112 1.449 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.254 -0.364 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.191 0.829 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.576 -0.612 -12.207 1.00 0.00 H new ATOM 137 N CYS A 10 -12.576 1.107 -8.615 1.00 0.00 N ATOM 138 CA CYS A 10 -11.129 1.305 -8.638 1.00 0.00 C ATOM 139 C CYS A 10 -10.377 0.836 -7.374 1.00 0.00 C ATOM 140 O CYS A 10 -9.174 1.084 -7.275 1.00 0.00 O ATOM 141 CB CYS A 10 -10.848 2.792 -8.938 1.00 0.00 C ATOM 142 SG CYS A 10 -11.465 3.219 -10.589 1.00 0.00 S ATOM 0 H CYS A 10 -12.916 0.549 -9.398 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.734 0.661 -9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.328 3.420 -8.188 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.777 2.987 -8.879 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.225 4.474 -10.831 1.00 0.00 H new ATOM 148 N THR A 11 -11.023 0.180 -6.405 1.00 0.00 N ATOM 149 CA THR A 11 -10.475 0.029 -5.063 1.00 0.00 C ATOM 150 C THR A 11 -9.140 -0.726 -5.096 1.00 0.00 C ATOM 151 O THR A 11 -8.235 -0.414 -4.326 1.00 0.00 O ATOM 152 CB THR A 11 -11.521 -0.614 -4.142 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.082 -0.592 -2.799 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.908 -2.051 -4.502 1.00 0.00 C ATOM 0 H THR A 11 -11.936 -0.257 -6.532 1.00 0.00 H new ATOM 0 HA THR A 11 -10.247 1.010 -4.647 1.00 0.00 H new ATOM 0 HB THR A 11 -12.414 -0.005 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.181 0.314 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.652 -2.416 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.324 -2.074 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.024 -2.687 -4.460 1.00 0.00 H new ATOM 162 N SER A 12 -8.979 -1.672 -6.020 1.00 0.00 N ATOM 163 CA SER A 12 -7.763 -2.416 -6.265 1.00 0.00 C ATOM 164 C SER A 12 -7.409 -2.339 -7.753 1.00 0.00 C ATOM 165 O SER A 12 -6.912 -3.314 -8.308 1.00 0.00 O ATOM 166 CB SER A 12 -7.906 -3.836 -5.684 1.00 0.00 C ATOM 167 OG SER A 12 -9.009 -4.547 -6.199 1.00 0.00 O ATOM 0 H SER A 12 -9.737 -1.948 -6.645 1.00 0.00 H new ATOM 0 HA SER A 12 -6.908 -1.981 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.994 -4.397 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.002 -3.768 -4.600 1.00 0.00 H new ATOM 0 HG SER A 12 -9.042 -5.438 -5.793 1.00 0.00 H new ATOM 173 N VAL A 13 -7.592 -1.176 -8.393 1.00 0.00 N ATOM 174 CA VAL A 13 -6.794 -0.833 -9.574 1.00 0.00 C ATOM 175 C VAL A 13 -5.592 -0.029 -9.084 1.00 0.00 C ATOM 176 O VAL A 13 -4.461 -0.436 -9.324 1.00 0.00 O ATOM 177 CB VAL A 13 -7.598 -0.166 -10.718 1.00 0.00 C ATOM 178 CG1 VAL A 13 -8.860 -0.979 -11.029 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.030 1.286 -10.497 1.00 0.00 C ATOM 0 H VAL A 13 -8.274 -0.469 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.446 -1.743 -10.063 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.886 -0.151 -11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.414 -0.497 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.578 -1.986 -11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.487 -1.032 -10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.584 1.637 -11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.666 1.346 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.148 1.910 -10.352 1.00 0.00 H new ATOM 189 N VAL A 14 -5.818 1.023 -8.283 1.00 0.00 N ATOM 190 CA VAL A 14 -4.776 1.996 -7.966 1.00 0.00 C ATOM 191 C VAL A 14 -3.567 1.311 -7.336 1.00 0.00 C ATOM 192 O VAL A 14 -2.461 1.418 -7.853 1.00 0.00 O ATOM 193 CB VAL A 14 -5.305 3.256 -7.240 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.829 3.450 -7.293 1.00 0.00 C ATOM 195 CG2 VAL A 14 -4.861 3.368 -5.786 1.00 0.00 C ATOM 0 H VAL A 14 -6.718 1.217 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.407 2.419 -8.900 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.841 4.052 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.099 4.359 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.149 3.533 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.321 2.595 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.273 4.277 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.219 2.503 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.773 3.404 -5.740 1.00 0.00 H new ATOM 205 N LEU A 15 -3.745 0.540 -6.256 1.00 0.00 N ATOM 206 CA LEU A 15 -2.578 -0.045 -5.595 1.00 0.00 C ATOM 207 C LEU A 15 -1.945 -1.159 -6.438 1.00 0.00 C ATOM 208 O LEU A 15 -0.754 -1.453 -6.294 1.00 0.00 O ATOM 209 CB LEU A 15 -2.927 -0.492 -4.169 1.00 0.00 C ATOM 210 CG LEU A 15 -1.677 -0.655 -3.285 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.826 0.620 -3.170 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.075 -1.023 -1.866 1.00 0.00 C ATOM 0 H LEU A 15 -4.647 0.315 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.813 0.727 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.597 0.238 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.467 -1.438 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.092 -1.434 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.036 0.426 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.484 0.920 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.426 1.420 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.180 -1.134 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.704 -0.236 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.627 -1.963 -1.875 1.00 0.00 H new ATOM 224 N LEU A 16 -2.737 -1.736 -7.347 1.00 0.00 N ATOM 225 CA LEU A 16 -2.299 -2.689 -8.362 1.00 0.00 C ATOM 226 C LEU A 16 -1.522 -2.042 -9.516 1.00 0.00 C ATOM 227 O LEU A 16 -0.897 -2.763 -10.295 1.00 0.00 O ATOM 228 CB LEU A 16 -3.484 -3.513 -8.909 1.00 0.00 C ATOM 229 CG LEU A 16 -3.639 -4.861 -8.188 1.00 0.00 C ATOM 230 CD1 LEU A 16 -4.093 -4.680 -6.731 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.622 -5.764 -8.930 1.00 0.00 C ATOM 0 H LEU A 16 -3.737 -1.542 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.605 -3.358 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.404 -2.938 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.340 -3.688 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.657 -5.334 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.191 -5.656 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.355 -4.086 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.055 -4.169 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.715 -6.712 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.597 -5.278 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.257 -5.947 -9.941 1.00 0.00 H new ATOM 243 N SER A 17 -1.532 -0.716 -9.613 1.00 0.00 N ATOM 244 CA SER A 17 -0.837 0.069 -10.618 1.00 0.00 C ATOM 245 C SER A 17 0.319 0.846 -9.976 1.00 0.00 C ATOM 246 O SER A 17 1.337 1.058 -10.623 1.00 0.00 O ATOM 247 CB SER A 17 -1.886 0.983 -11.268 1.00 0.00 C ATOM 248 OG SER A 17 -1.353 1.844 -12.251 1.00 0.00 O ATOM 0 H SER A 17 -2.053 -0.134 -8.957 1.00 0.00 H new ATOM 0 HA SER A 17 -0.382 -0.557 -11.385 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.663 0.366 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.364 1.582 -10.493 1.00 0.00 H new ATOM 0 HG SER A 17 -2.070 2.396 -12.626 1.00 0.00 H new ATOM 254 N VAL A 18 0.214 1.229 -8.699 1.00 0.00 N ATOM 255 CA VAL A 18 1.050 2.278 -8.118 1.00 0.00 C ATOM 256 C VAL A 18 2.098 1.743 -7.152 1.00 0.00 C ATOM 257 O VAL A 18 3.153 2.364 -7.000 1.00 0.00 O ATOM 258 CB VAL A 18 0.129 3.328 -7.452 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.922 4.441 -6.757 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.761 4.013 -8.508 1.00 0.00 C ATOM 0 H VAL A 18 -0.452 0.820 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 18 1.624 2.746 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.464 2.783 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.231 5.153 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.555 4.008 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.545 4.955 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.402 4.748 -8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.132 4.511 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.379 3.264 -9.004 1.00 0.00 H new ATOM 270 N LEU A 19 1.850 0.606 -6.497 1.00 0.00 N ATOM 271 CA LEU A 19 2.843 0.023 -5.605 1.00 0.00 C ATOM 272 C LEU A 19 3.284 -1.290 -6.196 1.00 0.00 C ATOM 273 O LEU A 19 4.445 -1.402 -6.585 1.00 0.00 O ATOM 274 CB LEU A 19 2.332 -0.066 -4.165 1.00 0.00 C ATOM 275 CG LEU A 19 3.412 -0.335 -3.099 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.039 -1.735 -3.156 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.517 0.722 -3.117 1.00 0.00 C ATOM 0 H LEU A 19 0.979 0.079 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 19 3.720 0.666 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.826 0.867 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.585 -0.858 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 19 2.865 -0.276 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.787 -1.831 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.263 -2.487 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.513 -1.882 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.255 0.490 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.000 0.727 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.085 1.703 -2.921 1.00 0.00 H new ATOM 289 N GLN A 20 2.368 -2.255 -6.320 1.00 0.00 N ATOM 290 CA GLN A 20 2.698 -3.585 -6.765 1.00 0.00 C ATOM 291 C GLN A 20 3.441 -3.567 -8.103 1.00 0.00 C ATOM 292 O GLN A 20 4.290 -4.418 -8.286 1.00 0.00 O ATOM 293 CB GLN A 20 1.414 -4.422 -6.799 1.00 0.00 C ATOM 294 CG GLN A 20 0.700 -4.547 -8.129 1.00 0.00 C ATOM 295 CD GLN A 20 1.247 -5.616 -9.069 1.00 0.00 C ATOM 296 OE1 GLN A 20 1.355 -6.773 -8.694 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.538 -5.270 -10.311 1.00 0.00 N ATOM 0 H GLN A 20 1.379 -2.122 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 20 3.392 -4.049 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.657 -5.426 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.715 -3.996 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.352 -4.759 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.744 -3.584 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.441 -4.298 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.859 -5.975 -10.975 1.00 0.00 H new ATOM 306 N GLN A 21 3.211 -2.542 -8.944 1.00 0.00 N ATOM 307 CA GLN A 21 3.490 -2.410 -10.373 1.00 0.00 C ATOM 308 C GLN A 21 4.604 -3.325 -10.888 1.00 0.00 C ATOM 309 O GLN A 21 4.402 -4.067 -11.847 1.00 0.00 O ATOM 310 CB GLN A 21 3.903 -0.942 -10.582 1.00 0.00 C ATOM 311 CG GLN A 21 3.882 -0.490 -12.048 1.00 0.00 C ATOM 312 CD GLN A 21 4.636 0.827 -12.240 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.768 1.653 -11.335 1.00 0.00 O ATOM 314 NE2 GLN A 21 5.214 1.034 -13.407 1.00 0.00 N ATOM 0 H GLN A 21 2.774 -1.691 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 21 2.601 -2.703 -10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.235 -0.302 -10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.907 -0.797 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.330 -1.262 -12.674 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.850 -0.371 -12.378 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.106 0.352 -14.158 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.769 1.876 -13.559 1.00 0.00 H new ATOM 323 N LEU A 22 5.776 -3.245 -10.265 1.00 0.00 N ATOM 324 CA LEU A 22 6.942 -4.074 -10.542 1.00 0.00 C ATOM 325 C LEU A 22 7.556 -4.646 -9.264 1.00 0.00 C ATOM 326 O LEU A 22 8.205 -5.688 -9.316 1.00 0.00 O ATOM 327 CB LEU A 22 7.847 -3.347 -11.549 1.00 0.00 C ATOM 328 CG LEU A 22 9.057 -2.535 -11.071 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.690 -1.325 -10.209 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.044 -3.466 -10.381 1.00 0.00 C ATOM 0 H LEU A 22 5.945 -2.569 -9.520 1.00 0.00 H new ATOM 0 HA LEU A 22 6.678 -4.999 -11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.220 -4.098 -12.245 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.212 -2.670 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 22 9.531 -2.098 -11.950 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.599 -0.802 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.054 -0.650 -10.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.155 -1.660 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.906 -2.893 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.561 -3.940 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.373 -4.233 -11.083 1.00 0.00 H new ATOM 342 N ARG A 23 7.331 -4.011 -8.109 1.00 0.00 N ATOM 343 CA ARG A 23 7.878 -4.457 -6.837 1.00 0.00 C ATOM 344 C ARG A 23 7.384 -5.845 -6.487 1.00 0.00 C ATOM 345 O ARG A 23 8.158 -6.700 -6.068 1.00 0.00 O ATOM 346 CB ARG A 23 7.470 -3.458 -5.762 1.00 0.00 C ATOM 347 CG ARG A 23 7.986 -2.041 -6.049 1.00 0.00 C ATOM 348 CD ARG A 23 7.320 -1.153 -5.016 1.00 0.00 C ATOM 349 NE ARG A 23 7.717 0.262 -5.112 1.00 0.00 N ATOM 350 CZ ARG A 23 7.106 1.208 -5.840 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.089 0.899 -6.640 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.502 2.472 -5.768 1.00 0.00 N ATOM 0 H ARG A 23 6.760 -3.169 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 23 8.965 -4.508 -6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.383 -3.436 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.852 -3.792 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.072 -1.994 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.730 -1.727 -7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.238 -1.227 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.563 -1.523 -4.020 1.00 0.00 H new ATOM 0 HE ARG A 23 8.534 0.550 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.766 -0.066 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.632 1.627 -7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.276 2.730 -5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.032 3.186 -6.325 1.00 0.00 H new ATOM 366 N VAL A 24 6.086 -6.033 -6.639 1.00 0.00 N ATOM 367 CA VAL A 24 5.401 -7.286 -6.449 1.00 0.00 C ATOM 368 C VAL A 24 5.124 -7.857 -7.839 1.00 0.00 C ATOM 369 O VAL A 24 4.492 -7.222 -8.683 1.00 0.00 O ATOM 370 CB VAL A 24 4.136 -6.979 -5.649 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.152 -8.152 -5.614 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.470 -6.475 -4.233 1.00 0.00 C ATOM 0 H VAL A 24 5.457 -5.278 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 24 5.972 -8.031 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 24 3.628 -6.172 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.274 -7.873 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.848 -8.403 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.632 -9.016 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.546 -6.267 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.038 -7.238 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.063 -5.563 -4.302 1.00 0.00 H new ATOM 382 N GLU A 25 5.607 -9.066 -8.090 1.00 0.00 N ATOM 383 CA GLU A 25 5.159 -9.838 -9.240 1.00 0.00 C ATOM 384 C GLU A 25 3.714 -10.296 -9.025 1.00 0.00 C ATOM 385 O GLU A 25 3.333 -10.709 -7.922 1.00 0.00 O ATOM 386 CB GLU A 25 6.081 -11.009 -9.514 1.00 0.00 C ATOM 387 CG GLU A 25 7.375 -10.555 -10.200 1.00 0.00 C ATOM 388 CD GLU A 25 8.335 -11.726 -10.371 1.00 0.00 C ATOM 389 OE1 GLU A 25 8.014 -12.670 -11.127 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.402 -11.717 -9.711 1.00 0.00 O ATOM 0 H GLU A 25 6.308 -9.532 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 25 5.192 -9.200 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.321 -11.512 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.570 -11.737 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.144 -10.123 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.850 -9.772 -9.609 1.00 0.00 H new ATOM 397 N SER A 26 2.923 -10.217 -10.092 1.00 0.00 N ATOM 398 CA SER A 26 1.539 -10.653 -10.135 1.00 0.00 C ATOM 399 C SER A 26 1.454 -12.180 -10.043 1.00 0.00 C ATOM 400 O SER A 26 2.459 -12.876 -10.209 1.00 0.00 O ATOM 401 CB SER A 26 0.925 -10.138 -11.438 1.00 0.00 C ATOM 402 OG SER A 26 0.868 -8.722 -11.416 1.00 0.00 O ATOM 0 H SER A 26 3.245 -9.833 -10.980 1.00 0.00 H new ATOM 0 HA SER A 26 0.986 -10.252 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.519 -10.474 -12.288 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.076 -10.549 -11.566 1.00 0.00 H new ATOM 0 HG SER A 26 0.475 -8.397 -12.253 1.00 0.00 H new ATOM 408 N SER A 27 0.242 -12.699 -9.820 1.00 0.00 N ATOM 409 CA SER A 27 0.025 -14.048 -9.303 1.00 0.00 C ATOM 410 C SER A 27 0.752 -14.210 -7.964 1.00 0.00 C ATOM 411 O SER A 27 1.655 -15.031 -7.816 1.00 0.00 O ATOM 412 CB SER A 27 0.412 -15.127 -10.328 1.00 0.00 C ATOM 413 OG SER A 27 -0.357 -15.015 -11.513 1.00 0.00 O ATOM 0 H SER A 27 -0.622 -12.187 -9.996 1.00 0.00 H new ATOM 0 HA SER A 27 -1.041 -14.189 -9.124 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.471 -15.038 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.267 -16.115 -9.891 1.00 0.00 H new ATOM 0 HG SER A 27 -0.087 -15.713 -12.146 1.00 0.00 H new ATOM 419 N SER A 28 0.330 -13.435 -6.968 1.00 0.00 N ATOM 420 CA SER A 28 0.762 -13.586 -5.591 1.00 0.00 C ATOM 421 C SER A 28 -0.442 -13.327 -4.684 1.00 0.00 C ATOM 422 O SER A 28 -1.381 -12.620 -5.069 1.00 0.00 O ATOM 423 CB SER A 28 1.953 -12.654 -5.326 1.00 0.00 C ATOM 424 OG SER A 28 1.712 -11.336 -5.782 1.00 0.00 O ATOM 0 H SER A 28 -0.334 -12.672 -7.103 1.00 0.00 H new ATOM 0 HA SER A 28 1.116 -14.595 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.166 -12.634 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.840 -13.051 -5.820 1.00 0.00 H new ATOM 0 HG SER A 28 2.323 -11.128 -6.519 1.00 0.00 H new ATOM 430 N LYS A 29 -0.444 -13.920 -3.489 1.00 0.00 N ATOM 431 CA LYS A 29 -1.488 -13.753 -2.480 1.00 0.00 C ATOM 432 C LYS A 29 -0.931 -13.180 -1.183 1.00 0.00 C ATOM 433 O LYS A 29 -1.677 -12.515 -0.471 1.00 0.00 O ATOM 434 CB LYS A 29 -2.222 -15.075 -2.203 1.00 0.00 C ATOM 435 CG LYS A 29 -3.368 -15.386 -3.173 1.00 0.00 C ATOM 436 CD LYS A 29 -2.936 -15.955 -4.529 1.00 0.00 C ATOM 437 CE LYS A 29 -4.166 -16.465 -5.291 1.00 0.00 C ATOM 438 NZ LYS A 29 -5.031 -15.369 -5.778 1.00 0.00 N ATOM 0 H LYS A 29 0.302 -14.547 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.206 -13.040 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.500 -15.891 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.620 -15.049 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.044 -16.097 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.936 -14.472 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.428 -15.186 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.224 -16.767 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.839 -17.068 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.747 -17.118 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.846 -15.769 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.368 -14.807 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.488 -14.759 -6.422 1.00 0.00 H new ATOM 452 N LEU A 30 0.357 -13.356 -0.883 1.00 0.00 N ATOM 453 CA LEU A 30 0.991 -12.811 0.309 1.00 0.00 C ATOM 454 C LEU A 30 0.859 -11.290 0.298 1.00 0.00 C ATOM 455 O LEU A 30 0.396 -10.676 1.256 1.00 0.00 O ATOM 456 CB LEU A 30 2.459 -13.267 0.315 1.00 0.00 C ATOM 457 CG LEU A 30 3.263 -12.756 1.515 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.629 -13.157 2.848 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.679 -13.330 1.453 1.00 0.00 C ATOM 0 H LEU A 30 0.995 -13.890 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 30 0.511 -13.171 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.491 -14.357 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.939 -12.927 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 30 3.278 -11.667 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.234 -12.772 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.624 -12.741 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.577 -14.244 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.255 -12.969 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.632 -14.419 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.160 -13.012 0.528 1.00 0.00 H new ATOM 471 N TRP A 31 1.202 -10.684 -0.839 1.00 0.00 N ATOM 472 CA TRP A 31 0.977 -9.274 -1.101 1.00 0.00 C ATOM 473 C TRP A 31 -0.508 -8.904 -0.964 1.00 0.00 C ATOM 474 O TRP A 31 -0.857 -7.919 -0.307 1.00 0.00 O ATOM 475 CB TRP A 31 1.517 -8.942 -2.484 1.00 0.00 C ATOM 476 CG TRP A 31 0.783 -7.863 -3.210 1.00 0.00 C ATOM 477 CD1 TRP A 31 0.860 -6.540 -2.968 1.00 0.00 C ATOM 478 CD2 TRP A 31 -0.091 -8.017 -4.356 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.078 -5.863 -3.883 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.493 -6.728 -4.793 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.540 -9.125 -5.093 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -1.271 -6.550 -5.942 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -1.273 -8.959 -6.280 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.625 -7.670 -6.717 1.00 0.00 C ATOM 0 H TRP A 31 1.651 -11.173 -1.613 1.00 0.00 H new ATOM 0 HA TRP A 31 1.508 -8.679 -0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.562 -8.647 -2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.496 -9.847 -3.092 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.442 -6.081 -2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.060 -4.852 -3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.318 -10.122 -4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.597 -5.562 -6.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.567 -9.823 -6.858 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.165 -7.540 -7.643 1.00 0.00 H new ATOM 495 N ALA A 32 -1.376 -9.670 -1.628 1.00 0.00 N ATOM 496 CA ALA A 32 -2.810 -9.422 -1.735 1.00 0.00 C ATOM 497 C ALA A 32 -3.469 -9.363 -0.357 1.00 0.00 C ATOM 498 O ALA A 32 -4.278 -8.473 -0.102 1.00 0.00 O ATOM 499 CB ALA A 32 -3.486 -10.488 -2.602 1.00 0.00 C ATOM 0 H ALA A 32 -1.085 -10.512 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.939 -8.452 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.554 -10.281 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.052 -10.472 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.333 -11.471 -2.156 1.00 0.00 H new ATOM 505 N GLN A 33 -3.046 -10.232 0.562 1.00 0.00 N ATOM 506 CA GLN A 33 -3.440 -10.244 1.966 1.00 0.00 C ATOM 507 C GLN A 33 -3.091 -8.946 2.712 1.00 0.00 C ATOM 508 O GLN A 33 -3.531 -8.764 3.846 1.00 0.00 O ATOM 509 CB GLN A 33 -2.792 -11.452 2.648 1.00 0.00 C ATOM 510 CG GLN A 33 -3.550 -12.746 2.334 1.00 0.00 C ATOM 511 CD GLN A 33 -2.813 -13.970 2.860 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.703 -14.973 2.160 1.00 0.00 O ATOM 513 NE2 GLN A 33 -2.327 -13.933 4.088 1.00 0.00 N ATOM 0 H GLN A 33 -2.390 -10.979 0.335 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.527 -10.319 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.757 -11.546 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.770 -11.294 3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.545 -12.702 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.684 -12.837 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.430 -13.089 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.849 -14.748 4.472 1.00 0.00 H new ATOM 522 N CYS A 34 -2.365 -8.017 2.092 1.00 0.00 N ATOM 523 CA CYS A 34 -2.162 -6.660 2.569 1.00 0.00 C ATOM 524 C CYS A 34 -2.733 -5.615 1.621 1.00 0.00 C ATOM 525 O CYS A 34 -3.019 -4.497 2.058 1.00 0.00 O ATOM 526 CB CYS A 34 -0.669 -6.466 2.814 1.00 0.00 C ATOM 527 SG CYS A 34 -0.421 -5.298 4.175 1.00 0.00 S ATOM 0 H CYS A 34 -1.886 -8.201 1.210 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.709 -6.518 3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.203 -7.422 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.188 -6.093 1.910 1.00 0.00 H new ATOM 0 HG CYS A 34 0.852 -5.137 4.382 1.00 0.00 H new ATOM 533 N VAL A 35 -2.981 -5.961 0.360 1.00 0.00 N ATOM 534 CA VAL A 35 -3.768 -5.111 -0.508 1.00 0.00 C ATOM 535 C VAL A 35 -5.194 -4.996 0.044 1.00 0.00 C ATOM 536 O VAL A 35 -5.757 -3.908 -0.017 1.00 0.00 O ATOM 537 CB VAL A 35 -3.651 -5.582 -1.983 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.939 -6.148 -2.599 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.153 -4.445 -2.883 1.00 0.00 C ATOM 0 H VAL A 35 -2.647 -6.821 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.380 -4.093 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.936 -6.403 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.748 -6.447 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.267 -7.014 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.717 -5.385 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.080 -4.800 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.853 -3.611 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.172 -4.114 -2.542 1.00 0.00 H new ATOM 549 N GLN A 36 -5.750 -6.041 0.652 1.00 0.00 N ATOM 550 CA GLN A 36 -7.038 -5.966 1.348 1.00 0.00 C ATOM 551 C GLN A 36 -7.031 -4.824 2.373 1.00 0.00 C ATOM 552 O GLN A 36 -7.912 -3.969 2.352 1.00 0.00 O ATOM 553 CB GLN A 36 -7.438 -7.303 1.998 1.00 0.00 C ATOM 554 CG GLN A 36 -6.321 -7.999 2.780 1.00 0.00 C ATOM 555 CD GLN A 36 -6.835 -9.081 3.720 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.347 -10.109 3.292 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.688 -8.905 5.020 1.00 0.00 N ATOM 0 H GLN A 36 -5.322 -6.966 0.678 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.799 -5.752 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.277 -7.126 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.791 -7.978 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.615 -8.442 2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.772 -7.255 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.262 -8.049 5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.001 -9.625 5.671 1.00 0.00 H new ATOM 566 N LEU A 37 -5.998 -4.749 3.216 1.00 0.00 N ATOM 567 CA LEU A 37 -5.851 -3.727 4.234 1.00 0.00 C ATOM 568 C LEU A 37 -5.782 -2.343 3.605 1.00 0.00 C ATOM 569 O LEU A 37 -6.427 -1.430 4.108 1.00 0.00 O ATOM 570 CB LEU A 37 -4.622 -4.023 5.122 1.00 0.00 C ATOM 571 CG LEU A 37 -4.951 -4.164 6.621 1.00 0.00 C ATOM 572 CD1 LEU A 37 -5.458 -2.854 7.219 1.00 0.00 C ATOM 573 CD2 LEU A 37 -5.959 -5.294 6.886 1.00 0.00 C ATOM 0 H LEU A 37 -5.227 -5.417 3.202 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.731 -3.742 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.150 -4.942 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.893 -3.223 4.994 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.015 -4.423 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.678 -2.998 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.694 -2.084 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.364 -2.543 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.162 -5.357 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.887 -5.087 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.544 -6.240 6.539 1.00 0.00 H new ATOM 585 N HIS A 38 -5.085 -2.167 2.471 1.00 0.00 N ATOM 586 CA HIS A 38 -5.095 -0.863 1.808 1.00 0.00 C ATOM 587 C HIS A 38 -6.523 -0.384 1.515 1.00 0.00 C ATOM 588 O HIS A 38 -6.745 0.820 1.531 1.00 0.00 O ATOM 589 CB HIS A 38 -4.230 -0.842 0.540 1.00 0.00 C ATOM 590 CG HIS A 38 -4.990 -0.720 -0.768 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.496 -1.755 -1.516 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.320 0.438 -1.411 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.112 -1.243 -2.588 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.048 0.100 -2.529 1.00 0.00 N ATOM 0 H HIS A 38 -4.527 -2.886 2.011 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.647 -0.159 2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.530 -0.009 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.636 -1.756 0.511 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.416 -2.747 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.057 1.438 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.584 -1.815 -3.373 1.00 0.00 H new ATOM 603 N ASN A 39 -7.451 -1.301 1.198 1.00 0.00 N ATOM 604 CA ASN A 39 -8.842 -0.984 0.866 1.00 0.00 C ATOM 605 C ASN A 39 -9.629 -0.498 2.092 1.00 0.00 C ATOM 606 O ASN A 39 -10.602 0.237 1.926 1.00 0.00 O ATOM 607 CB ASN A 39 -9.517 -2.149 0.107 1.00 0.00 C ATOM 608 CG ASN A 39 -10.999 -2.352 0.423 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.362 -2.785 1.512 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.882 -2.162 -0.539 1.00 0.00 N ATOM 0 H ASN A 39 -7.248 -2.300 1.166 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.843 -0.140 0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.409 -1.976 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.982 -3.071 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.866 -2.375 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.580 -1.802 -1.444 1.00 0.00 H new ATOM 617 N ASP A 40 -9.202 -0.844 3.310 1.00 0.00 N ATOM 618 CA ASP A 40 -9.677 -0.196 4.530 1.00 0.00 C ATOM 619 C ASP A 40 -9.090 1.185 4.654 1.00 0.00 C ATOM 620 O ASP A 40 -9.826 2.164 4.775 1.00 0.00 O ATOM 621 CB ASP A 40 -9.341 -1.030 5.775 1.00 0.00 C ATOM 622 CG ASP A 40 -8.821 -0.287 7.032 1.00 0.00 C ATOM 623 OD1 ASP A 40 -9.595 0.466 7.661 1.00 0.00 O ATOM 624 OD2 ASP A 40 -7.692 -0.571 7.475 1.00 0.00 O ATOM 0 H ASP A 40 -8.517 -1.582 3.475 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.762 -0.115 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.238 -1.580 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.591 -1.768 5.490 1.00 0.00 H new ATOM 629 N ILE A 41 -7.763 1.242 4.600 1.00 0.00 N ATOM 630 CA ILE A 41 -6.969 2.401 4.918 1.00 0.00 C ATOM 631 C ILE A 41 -7.388 3.630 4.109 1.00 0.00 C ATOM 632 O ILE A 41 -7.119 4.720 4.590 1.00 0.00 O ATOM 633 CB ILE A 41 -5.480 2.005 4.790 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.040 0.998 5.881 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.525 3.194 4.829 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.138 1.504 7.324 1.00 0.00 C ATOM 0 H ILE A 41 -7.197 0.441 4.320 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.140 2.719 5.947 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.416 1.539 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.649 0.099 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.008 0.706 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.499 2.840 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.753 3.871 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.640 3.722 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.806 0.722 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.506 2.383 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.172 1.767 7.548 1.00 0.00 H new ATOM 648 N LEU A 42 -8.123 3.514 2.989 1.00 0.00 N ATOM 649 CA LEU A 42 -8.728 4.667 2.327 1.00 0.00 C ATOM 650 C LEU A 42 -9.513 5.549 3.283 1.00 0.00 C ATOM 651 O LEU A 42 -9.445 6.766 3.130 1.00 0.00 O ATOM 652 CB LEU A 42 -9.650 4.303 1.150 1.00 0.00 C ATOM 653 CG LEU A 42 -9.005 3.789 -0.151 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.522 4.123 -0.315 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.149 2.279 -0.227 1.00 0.00 C ATOM 0 H LEU A 42 -8.309 2.624 2.526 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.868 5.213 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.349 3.542 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.238 5.187 0.903 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.536 4.304 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.160 3.719 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.390 5.205 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.957 3.684 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.692 1.916 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.652 1.823 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.206 2.013 -0.217 1.00 0.00 H new ATOM 667 N LEU A 43 -10.222 4.994 4.277 1.00 0.00 N ATOM 668 CA LEU A 43 -10.820 5.835 5.303 1.00 0.00 C ATOM 669 C LEU A 43 -10.101 5.545 6.596 1.00 0.00 C ATOM 670 O LEU A 43 -10.711 5.046 7.546 1.00 0.00 O ATOM 671 CB LEU A 43 -12.346 5.675 5.388 1.00 0.00 C ATOM 672 CG LEU A 43 -13.166 6.194 4.203 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.635 6.275 4.621 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.663 7.539 3.716 1.00 0.00 C ATOM 0 H LEU A 43 -10.388 3.993 4.385 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.693 6.888 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.569 4.616 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.691 6.185 6.288 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.059 5.502 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.231 6.643 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.987 5.284 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.736 6.955 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.271 7.872 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.731 8.267 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.624 7.446 3.398 1.00 0.00 H new ATOM 686 N ALA A 44 -8.808 5.868 6.634 1.00 0.00 N ATOM 687 CA ALA A 44 -8.053 5.861 7.874 1.00 0.00 C ATOM 688 C ALA A 44 -8.283 7.181 8.607 1.00 0.00 C ATOM 689 O ALA A 44 -8.817 7.177 9.719 1.00 0.00 O ATOM 690 CB ALA A 44 -6.587 5.597 7.566 1.00 0.00 C ATOM 0 H ALA A 44 -8.266 6.138 5.813 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.389 5.063 8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.016 5.591 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.487 4.630 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.206 6.380 6.911 1.00 0.00 H new ATOM 696 N LYS A 45 -7.939 8.312 7.984 1.00 0.00 N ATOM 697 CA LYS A 45 -7.969 9.627 8.620 1.00 0.00 C ATOM 698 C LYS A 45 -8.654 10.631 7.710 1.00 0.00 C ATOM 699 O LYS A 45 -9.774 11.053 7.982 1.00 0.00 O ATOM 700 CB LYS A 45 -6.527 10.017 8.993 1.00 0.00 C ATOM 701 CG LYS A 45 -6.362 11.473 9.467 1.00 0.00 C ATOM 702 CD LYS A 45 -7.044 11.742 10.812 1.00 0.00 C ATOM 703 CE LYS A 45 -6.168 11.160 11.918 1.00 0.00 C ATOM 704 NZ LYS A 45 -6.580 11.638 13.245 1.00 0.00 N ATOM 0 H LYS A 45 -7.629 8.338 7.013 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.556 9.610 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.176 9.350 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.885 9.855 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.300 11.705 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.776 12.144 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.182 12.813 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.034 11.287 10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.222 10.072 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.128 11.432 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.963 11.222 13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.505 12.675 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.565 11.356 13.425 1.00 0.00 H new ATOM 718 N ASP A 46 -7.975 10.982 6.634 1.00 0.00 N ATOM 719 CA ASP A 46 -8.427 11.790 5.509 1.00 0.00 C ATOM 720 C ASP A 46 -7.910 11.065 4.281 1.00 0.00 C ATOM 721 O ASP A 46 -6.914 10.363 4.409 1.00 0.00 O ATOM 722 CB ASP A 46 -7.795 13.190 5.513 1.00 0.00 C ATOM 723 CG ASP A 46 -8.209 13.920 4.238 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.430 14.055 4.014 1.00 0.00 O ATOM 725 OD2 ASP A 46 -7.351 14.211 3.375 1.00 0.00 O ATOM 0 H ASP A 46 -7.007 10.684 6.511 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.509 11.913 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.121 13.749 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.709 13.114 5.569 1.00 0.00 H new ATOM 730 N THR A 47 -8.508 11.260 3.110 1.00 0.00 N ATOM 731 CA THR A 47 -8.074 10.651 1.859 1.00 0.00 C ATOM 732 C THR A 47 -6.574 10.855 1.565 1.00 0.00 C ATOM 733 O THR A 47 -6.004 9.985 0.908 1.00 0.00 O ATOM 734 CB THR A 47 -9.005 11.169 0.751 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.264 10.541 0.905 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.559 10.902 -0.690 1.00 0.00 C ATOM 0 H THR A 47 -9.326 11.860 3.003 1.00 0.00 H new ATOM 0 HA THR A 47 -8.159 9.566 1.924 1.00 0.00 H new ATOM 0 HB THR A 47 -9.013 12.252 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.875 10.859 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.295 11.313 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.593 11.375 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.471 9.827 -0.851 1.00 0.00 H new ATOM 744 N THR A 48 -5.923 11.915 2.057 1.00 0.00 N ATOM 745 CA THR A 48 -4.474 12.065 1.969 1.00 0.00 C ATOM 746 C THR A 48 -3.799 11.082 2.939 1.00 0.00 C ATOM 747 O THR A 48 -3.239 10.076 2.500 1.00 0.00 O ATOM 748 CB THR A 48 -4.111 13.543 2.202 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.748 14.337 1.212 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.605 13.806 2.120 1.00 0.00 C ATOM 0 H THR A 48 -6.390 12.691 2.527 1.00 0.00 H new ATOM 0 HA THR A 48 -4.100 11.809 0.978 1.00 0.00 H new ATOM 0 HB THR A 48 -4.445 13.798 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.523 15.280 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.411 14.865 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.091 13.214 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.240 13.526 1.132 1.00 0.00 H new ATOM 758 N GLU A 49 -3.869 11.344 4.248 1.00 0.00 N ATOM 759 CA GLU A 49 -3.218 10.581 5.311 1.00 0.00 C ATOM 760 C GLU A 49 -3.498 9.066 5.225 1.00 0.00 C ATOM 761 O GLU A 49 -2.648 8.246 5.578 1.00 0.00 O ATOM 762 CB GLU A 49 -3.689 11.136 6.671 1.00 0.00 C ATOM 763 CG GLU A 49 -2.857 12.303 7.231 1.00 0.00 C ATOM 764 CD GLU A 49 -3.116 13.697 6.636 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.547 13.855 5.477 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.831 14.681 7.366 1.00 0.00 O ATOM 0 H GLU A 49 -4.407 12.132 4.609 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.140 10.697 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.724 11.464 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.681 10.324 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.030 12.357 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.803 12.065 7.089 1.00 0.00 H new ATOM 773 N ALA A 50 -4.691 8.711 4.752 1.00 0.00 N ATOM 774 CA ALA A 50 -5.169 7.391 4.404 1.00 0.00 C ATOM 775 C ALA A 50 -4.293 6.751 3.346 1.00 0.00 C ATOM 776 O ALA A 50 -3.493 5.872 3.659 1.00 0.00 O ATOM 777 CB ALA A 50 -6.603 7.530 3.887 1.00 0.00 C ATOM 0 H ALA A 50 -5.411 9.415 4.590 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.138 6.748 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.989 6.547 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.230 7.965 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.612 8.177 3.010 1.00 0.00 H new ATOM 783 N PHE A 51 -4.477 7.161 2.093 1.00 0.00 N ATOM 784 CA PHE A 51 -3.769 6.592 0.955 1.00 0.00 C ATOM 785 C PHE A 51 -2.255 6.573 1.197 1.00 0.00 C ATOM 786 O PHE A 51 -1.585 5.632 0.785 1.00 0.00 O ATOM 787 CB PHE A 51 -4.150 7.289 -0.364 1.00 0.00 C ATOM 788 CG PHE A 51 -2.976 7.881 -1.118 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.454 9.129 -0.732 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.300 7.109 -2.081 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.229 9.568 -1.260 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.109 7.579 -2.650 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.564 8.789 -2.220 1.00 0.00 C ATOM 0 H PHE A 51 -5.128 7.904 1.840 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.086 5.554 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.655 6.570 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.866 8.082 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.994 9.748 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.700 6.152 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.800 10.502 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.614 7.006 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.376 9.129 -2.629 1.00 0.00 H new ATOM 803 N GLU A 52 -1.724 7.565 1.907 1.00 0.00 N ATOM 804 CA GLU A 52 -0.346 7.590 2.364 1.00 0.00 C ATOM 805 C GLU A 52 -0.026 6.305 3.128 1.00 0.00 C ATOM 806 O GLU A 52 0.784 5.494 2.678 1.00 0.00 O ATOM 807 CB GLU A 52 -0.147 8.876 3.187 1.00 0.00 C ATOM 808 CG GLU A 52 0.103 10.064 2.251 1.00 0.00 C ATOM 809 CD GLU A 52 1.492 10.684 2.353 1.00 0.00 C ATOM 810 OE1 GLU A 52 1.811 11.262 3.411 1.00 0.00 O ATOM 811 OE2 GLU A 52 2.193 10.682 1.312 1.00 0.00 O ATOM 0 H GLU A 52 -2.256 8.390 2.184 1.00 0.00 H new ATOM 0 HA GLU A 52 0.359 7.616 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.028 9.065 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.696 8.755 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.058 9.738 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.639 10.835 2.461 1.00 0.00 H new ATOM 818 N LYS A 53 -0.730 6.041 4.229 1.00 0.00 N ATOM 819 CA LYS A 53 -0.502 4.823 4.996 1.00 0.00 C ATOM 820 C LYS A 53 -0.749 3.576 4.130 1.00 0.00 C ATOM 821 O LYS A 53 -0.094 2.554 4.338 1.00 0.00 O ATOM 822 CB LYS A 53 -1.370 4.845 6.262 1.00 0.00 C ATOM 823 CG LYS A 53 -0.823 3.908 7.352 1.00 0.00 C ATOM 824 CD LYS A 53 -1.947 3.121 8.032 1.00 0.00 C ATOM 825 CE LYS A 53 -1.442 2.450 9.311 1.00 0.00 C ATOM 826 NZ LYS A 53 -2.479 1.596 9.925 1.00 0.00 N ATOM 0 H LYS A 53 -1.456 6.650 4.605 1.00 0.00 H new ATOM 0 HA LYS A 53 0.541 4.776 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.420 5.862 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.388 4.551 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.107 3.214 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.283 4.492 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.774 3.790 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.334 2.366 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.562 1.848 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.130 3.213 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.101 1.158 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.309 2.175 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.759 0.852 9.254 1.00 0.00 H new ATOM 840 N MET A 54 -1.663 3.635 3.149 1.00 0.00 N ATOM 841 CA MET A 54 -2.063 2.502 2.308 1.00 0.00 C ATOM 842 C MET A 54 -0.891 2.024 1.439 1.00 0.00 C ATOM 843 O MET A 54 -0.891 0.887 0.965 1.00 0.00 O ATOM 844 CB MET A 54 -3.297 2.830 1.433 1.00 0.00 C ATOM 845 CG MET A 54 -2.997 3.020 -0.067 1.00 0.00 C ATOM 846 SD MET A 54 -4.273 3.792 -1.086 1.00 0.00 S ATOM 847 CE MET A 54 -3.508 3.605 -2.709 1.00 0.00 C ATOM 0 H MET A 54 -2.156 4.497 2.915 1.00 0.00 H new ATOM 0 HA MET A 54 -2.350 1.692 2.979 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.026 2.028 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.763 3.739 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.090 3.618 -0.155 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.775 2.041 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.809 4.433 -3.351 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.423 3.604 -2.602 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.829 2.664 -3.156 1.00 0.00 H new ATOM 857 N VAL A 55 0.066 2.906 1.161 1.00 0.00 N ATOM 858 CA VAL A 55 1.295 2.604 0.450 1.00 0.00 C ATOM 859 C VAL A 55 2.317 2.080 1.460 1.00 0.00 C ATOM 860 O VAL A 55 3.029 1.119 1.152 1.00 0.00 O ATOM 861 CB VAL A 55 1.720 3.891 -0.290 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.069 3.781 -0.996 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.704 4.234 -1.388 1.00 0.00 C ATOM 0 H VAL A 55 -0.001 3.886 1.437 1.00 0.00 H new ATOM 0 HA VAL A 55 1.187 1.822 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 55 1.780 4.651 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.298 4.724 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.846 3.558 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.028 2.982 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.016 5.143 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.651 3.413 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.277 4.389 -0.940 1.00 0.00 H new ATOM 873 N SER A 56 2.322 2.636 2.672 1.00 0.00 N ATOM 874 CA SER A 56 3.309 2.363 3.695 1.00 0.00 C ATOM 875 C SER A 56 3.332 0.891 4.079 1.00 0.00 C ATOM 876 O SER A 56 4.394 0.271 4.021 1.00 0.00 O ATOM 877 CB SER A 56 3.065 3.298 4.885 1.00 0.00 C ATOM 878 OG SER A 56 4.224 3.991 5.291 1.00 0.00 O ATOM 0 H SER A 56 1.614 3.308 2.969 1.00 0.00 H new ATOM 0 HA SER A 56 4.307 2.567 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.292 4.019 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.684 2.716 5.724 1.00 0.00 H new ATOM 0 HG SER A 56 3.984 4.666 5.960 1.00 0.00 H new ATOM 884 N LEU A 57 2.153 0.311 4.346 1.00 0.00 N ATOM 885 CA LEU A 57 1.974 -1.114 4.606 1.00 0.00 C ATOM 886 C LEU A 57 2.737 -1.950 3.605 1.00 0.00 C ATOM 887 O LEU A 57 3.504 -2.824 4.008 1.00 0.00 O ATOM 888 CB LEU A 57 0.504 -1.575 4.584 1.00 0.00 C ATOM 889 CG LEU A 57 -0.503 -0.798 3.711 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.157 -1.707 2.664 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.651 -0.271 4.578 1.00 0.00 C ATOM 0 H LEU A 57 1.280 0.837 4.387 1.00 0.00 H new ATOM 0 HA LEU A 57 2.359 -1.260 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.489 -2.615 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.136 -1.556 5.610 1.00 0.00 H new ATOM 0 HG LEU A 57 0.056 0.006 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.860 -1.127 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.388 -2.125 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.688 -2.516 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.357 0.276 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.161 -1.108 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.253 0.394 5.344 1.00 0.00 H new ATOM 903 N LEU A 58 2.497 -1.726 2.309 1.00 0.00 N ATOM 904 CA LEU A 58 3.124 -2.588 1.321 1.00 0.00 C ATOM 905 C LEU A 58 4.642 -2.477 1.355 1.00 0.00 C ATOM 906 O LEU A 58 5.269 -3.503 1.130 1.00 0.00 O ATOM 907 CB LEU A 58 2.586 -2.411 -0.102 1.00 0.00 C ATOM 908 CG LEU A 58 1.155 -2.918 -0.364 1.00 0.00 C ATOM 909 CD1 LEU A 58 1.014 -3.280 -1.856 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.699 -4.106 0.503 1.00 0.00 C ATOM 0 H LEU A 58 1.899 -0.988 1.938 1.00 0.00 H new ATOM 0 HA LEU A 58 2.846 -3.600 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.623 -1.351 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.260 -2.924 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 58 0.498 -2.096 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.003 -3.640 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.207 -2.397 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.732 -4.060 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.321 -4.381 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.360 -4.956 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.735 -3.824 1.555 1.00 0.00 H new ATOM 922 N SER A 59 5.244 -1.327 1.676 1.00 0.00 N ATOM 923 CA SER A 59 6.705 -1.267 1.757 1.00 0.00 C ATOM 924 C SER A 59 7.286 -2.161 2.858 1.00 0.00 C ATOM 925 O SER A 59 8.343 -2.756 2.665 1.00 0.00 O ATOM 926 CB SER A 59 7.214 0.181 1.846 1.00 0.00 C ATOM 927 OG SER A 59 8.273 0.386 0.919 1.00 0.00 O ATOM 0 H SER A 59 4.760 -0.452 1.878 1.00 0.00 H new ATOM 0 HA SER A 59 7.079 -1.680 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.399 0.874 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.561 0.391 2.858 1.00 0.00 H new ATOM 0 HG SER A 59 9.122 0.115 1.327 1.00 0.00 H new ATOM 933 N VAL A 60 6.592 -2.319 3.980 1.00 0.00 N ATOM 934 CA VAL A 60 7.048 -3.182 5.069 1.00 0.00 C ATOM 935 C VAL A 60 6.742 -4.645 4.729 1.00 0.00 C ATOM 936 O VAL A 60 7.540 -5.549 4.988 1.00 0.00 O ATOM 937 CB VAL A 60 6.395 -2.791 6.416 1.00 0.00 C ATOM 938 CG1 VAL A 60 7.432 -2.891 7.544 1.00 0.00 C ATOM 939 CG2 VAL A 60 5.729 -1.409 6.464 1.00 0.00 C ATOM 0 H VAL A 60 5.702 -1.856 4.162 1.00 0.00 H new ATOM 0 HA VAL A 60 8.125 -3.053 5.180 1.00 0.00 H new ATOM 0 HB VAL A 60 5.582 -3.505 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.968 -2.615 8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.804 -3.914 7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.262 -2.216 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.306 -1.243 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.472 -0.640 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.936 -1.361 5.718 1.00 0.00 H new ATOM 949 N LEU A 61 5.563 -4.902 4.159 1.00 0.00 N ATOM 950 CA LEU A 61 5.130 -6.213 3.683 1.00 0.00 C ATOM 951 C LEU A 61 6.052 -6.709 2.570 1.00 0.00 C ATOM 952 O LEU A 61 6.234 -7.916 2.428 1.00 0.00 O ATOM 953 CB LEU A 61 3.644 -6.093 3.284 1.00 0.00 C ATOM 954 CG LEU A 61 3.023 -6.981 2.184 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.598 -6.754 0.778 1.00 0.00 C ATOM 956 CD2 LEU A 61 2.962 -8.465 2.547 1.00 0.00 C ATOM 0 H LEU A 61 4.861 -4.177 4.012 1.00 0.00 H new ATOM 0 HA LEU A 61 5.204 -6.976 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.060 -6.258 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.481 -5.058 2.983 1.00 0.00 H new ATOM 0 HG LEU A 61 1.991 -6.634 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.103 -7.420 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.431 -5.719 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.668 -6.962 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.514 -9.023 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.970 -8.837 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.359 -8.595 3.445 1.00 0.00 H new ATOM 968 N LEU A 62 6.686 -5.812 1.813 1.00 0.00 N ATOM 969 CA LEU A 62 7.588 -6.160 0.735 1.00 0.00 C ATOM 970 C LEU A 62 8.723 -7.035 1.265 1.00 0.00 C ATOM 971 O LEU A 62 9.243 -7.849 0.512 1.00 0.00 O ATOM 972 CB LEU A 62 8.135 -4.882 0.075 1.00 0.00 C ATOM 973 CG LEU A 62 7.924 -4.735 -1.442 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.620 -5.830 -2.252 1.00 0.00 C ATOM 975 CD2 LEU A 62 6.445 -4.655 -1.829 1.00 0.00 C ATOM 0 H LEU A 62 6.579 -4.806 1.942 1.00 0.00 H new ATOM 0 HA LEU A 62 7.046 -6.728 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.676 -4.024 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.205 -4.829 0.275 1.00 0.00 H new ATOM 0 HG LEU A 62 8.392 -3.784 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.434 -5.671 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.693 -5.796 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.230 -6.804 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.357 -4.552 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.935 -5.564 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.988 -3.792 -1.344 1.00 0.00 H new ATOM 987 N SER A 63 9.083 -6.923 2.551 1.00 0.00 N ATOM 988 CA SER A 63 10.148 -7.732 3.118 1.00 0.00 C ATOM 989 C SER A 63 9.802 -9.212 3.065 1.00 0.00 C ATOM 990 O SER A 63 10.560 -9.958 2.448 1.00 0.00 O ATOM 991 CB SER A 63 10.553 -7.270 4.520 1.00 0.00 C ATOM 992 OG SER A 63 11.429 -6.148 4.474 1.00 0.00 O ATOM 0 H SER A 63 8.647 -6.278 3.210 1.00 0.00 H new ATOM 0 HA SER A 63 11.031 -7.587 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.660 -7.011 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.040 -8.091 5.047 1.00 0.00 H new ATOM 0 HG SER A 63 12.144 -6.317 3.825 1.00 0.00 H new ATOM 998 N MET A 64 8.664 -9.629 3.630 1.00 0.00 N ATOM 999 CA MET A 64 8.254 -11.029 3.546 1.00 0.00 C ATOM 1000 C MET A 64 7.937 -11.447 2.118 1.00 0.00 C ATOM 1001 O MET A 64 8.050 -12.624 1.772 1.00 0.00 O ATOM 1002 CB MET A 64 7.039 -11.308 4.426 1.00 0.00 C ATOM 1003 CG MET A 64 5.769 -10.554 4.007 1.00 0.00 C ATOM 1004 SD MET A 64 4.326 -10.928 5.034 1.00 0.00 S ATOM 1005 CE MET A 64 4.265 -9.432 6.048 1.00 0.00 C ATOM 0 H MET A 64 8.021 -9.025 4.142 1.00 0.00 H new ATOM 0 HA MET A 64 9.101 -11.615 3.902 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.833 -12.378 4.412 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.282 -11.043 5.455 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.964 -9.482 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.538 -10.798 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.627 -9.606 6.915 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.271 -9.178 6.382 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.860 -8.609 5.459 1.00 0.00 H new ATOM 1015 N GLN A 65 7.497 -10.489 1.297 1.00 0.00 N ATOM 1016 CA GLN A 65 7.255 -10.748 -0.103 1.00 0.00 C ATOM 1017 C GLN A 65 8.583 -11.152 -0.760 1.00 0.00 C ATOM 1018 O GLN A 65 8.614 -12.080 -1.569 1.00 0.00 O ATOM 1019 CB GLN A 65 6.628 -9.517 -0.775 1.00 0.00 C ATOM 1020 CG GLN A 65 5.258 -9.781 -1.425 1.00 0.00 C ATOM 1021 CD GLN A 65 5.291 -10.424 -2.813 1.00 0.00 C ATOM 1022 OE1 GLN A 65 4.947 -9.792 -3.803 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.584 -11.703 -2.946 1.00 0.00 N ATOM 0 H GLN A 65 7.305 -9.531 1.589 1.00 0.00 H new ATOM 0 HA GLN A 65 6.544 -11.566 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.518 -8.728 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.313 -9.145 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.680 -10.424 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.723 -8.834 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.873 -12.247 -2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.522 -12.148 -3.862 1.00 0.00 H new ATOM 1032 N GLY A 66 9.686 -10.531 -0.332 1.00 0.00 N ATOM 1033 CA GLY A 66 11.039 -10.825 -0.772 1.00 0.00 C ATOM 1034 C GLY A 66 11.935 -9.593 -0.886 1.00 0.00 C ATOM 1035 O GLY A 66 12.573 -9.402 -1.927 1.00 0.00 O ATOM 0 H GLY A 66 9.652 -9.781 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.493 -11.529 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.995 -11.321 -1.742 1.00 0.00 H new ATOM 1039 N ALA A 67 12.007 -8.758 0.154 1.00 0.00 N ATOM 1040 CA ALA A 67 12.853 -7.564 0.179 1.00 0.00 C ATOM 1041 C ALA A 67 13.569 -7.365 1.521 1.00 0.00 C ATOM 1042 O ALA A 67 13.063 -6.671 2.408 1.00 0.00 O ATOM 1043 CB ALA A 67 12.021 -6.337 -0.200 1.00 0.00 C ATOM 0 H ALA A 67 11.473 -8.895 1.012 1.00 0.00 H new ATOM 0 HA ALA A 67 13.644 -7.704 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.653 -5.449 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.612 -6.470 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.205 -6.217 0.512 1.00 0.00 H new ATOM 1049 N VAL A 68 14.770 -7.926 1.662 1.00 0.00 N ATOM 1050 CA VAL A 68 15.590 -7.839 2.871 1.00 0.00 C ATOM 1051 C VAL A 68 15.753 -6.392 3.358 1.00 0.00 C ATOM 1052 O VAL A 68 15.699 -6.151 4.565 1.00 0.00 O ATOM 1053 CB VAL A 68 16.920 -8.590 2.640 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.794 -7.962 1.547 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.744 -8.728 3.924 1.00 0.00 C ATOM 0 H VAL A 68 15.211 -8.468 0.919 1.00 0.00 H new ATOM 0 HA VAL A 68 15.080 -8.336 3.696 1.00 0.00 H new ATOM 0 HB VAL A 68 16.617 -9.581 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.712 -8.540 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.251 -7.962 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.042 -6.937 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.669 -9.263 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.980 -7.738 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.170 -9.282 4.667 1.00 0.00 H new ATOM 1065 N ASP A 69 15.879 -5.420 2.453 1.00 0.00 N ATOM 1066 CA ASP A 69 15.729 -4.006 2.770 1.00 0.00 C ATOM 1067 C ASP A 69 15.035 -3.357 1.592 1.00 0.00 C ATOM 1068 O ASP A 69 15.566 -3.397 0.480 1.00 0.00 O ATOM 1069 CB ASP A 69 17.062 -3.283 2.977 1.00 0.00 C ATOM 1070 CG ASP A 69 17.779 -3.659 4.255 1.00 0.00 C ATOM 1071 OD1 ASP A 69 17.345 -3.197 5.337 1.00 0.00 O ATOM 1072 OD2 ASP A 69 18.818 -4.356 4.164 1.00 0.00 O ATOM 0 H ASP A 69 16.090 -5.598 1.471 1.00 0.00 H new ATOM 0 HA ASP A 69 15.170 -3.931 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.714 -3.498 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.883 -2.208 2.977 1.00 0.00 H new ATOM 1077 N ILE A 70 13.874 -2.751 1.835 1.00 0.00 N ATOM 1078 CA ILE A 70 13.224 -1.755 1.008 1.00 0.00 C ATOM 1079 C ILE A 70 12.398 -0.852 1.963 1.00 0.00 C ATOM 1080 O ILE A 70 11.308 -0.368 1.659 1.00 0.00 O ATOM 1081 CB ILE A 70 12.506 -2.495 -0.143 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.499 -1.724 -1.470 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.154 -3.101 0.247 1.00 0.00 C ATOM 1084 CD1 ILE A 70 11.552 -0.544 -1.451 1.00 0.00 C ATOM 0 H ILE A 70 13.332 -2.962 2.673 1.00 0.00 H new ATOM 0 HA ILE A 70 13.877 -1.058 0.482 1.00 0.00 H new ATOM 0 HB ILE A 70 13.133 -3.364 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.508 -1.372 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.216 -2.400 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.717 -3.602 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.297 -3.823 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.485 -2.310 0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.586 -0.034 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.537 -0.895 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.849 0.148 -0.663 1.00 0.00 H new ATOM 1096 N ASN A 71 12.946 -0.609 3.162 1.00 0.00 N ATOM 1097 CA ASN A 71 12.427 0.367 4.108 1.00 0.00 C ATOM 1098 C ASN A 71 13.482 1.437 4.335 1.00 0.00 C ATOM 1099 O ASN A 71 13.256 2.557 3.900 1.00 0.00 O ATOM 1100 CB ASN A 71 11.926 -0.273 5.409 1.00 0.00 C ATOM 1101 CG ASN A 71 11.209 0.708 6.348 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.693 0.287 7.379 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.144 1.997 6.047 1.00 0.00 N ATOM 0 H ASN A 71 13.776 -1.097 3.499 1.00 0.00 H new ATOM 0 HA ASN A 71 11.540 0.837 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.246 -1.088 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.773 -0.712 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.664 2.643 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.574 2.343 5.189 1.00 0.00 H new ATOM 1110 N ARG A 72 14.617 1.136 4.975 1.00 0.00 N ATOM 1111 CA ARG A 72 15.599 2.165 5.344 1.00 0.00 C ATOM 1112 C ARG A 72 16.161 2.909 4.136 1.00 0.00 C ATOM 1113 O ARG A 72 15.942 4.107 4.004 1.00 0.00 O ATOM 1114 CB ARG A 72 16.693 1.553 6.223 1.00 0.00 C ATOM 1115 CG ARG A 72 16.131 1.301 7.637 1.00 0.00 C ATOM 1116 CD ARG A 72 16.200 -0.173 8.048 1.00 0.00 C ATOM 1117 NE ARG A 72 15.092 -0.552 8.944 1.00 0.00 N ATOM 1118 CZ ARG A 72 14.797 -0.041 10.144 1.00 0.00 C ATOM 1119 NH1 ARG A 72 15.644 0.755 10.776 1.00 0.00 N ATOM 1120 NH2 ARG A 72 13.652 -0.345 10.733 1.00 0.00 N ATOM 0 H ARG A 72 14.880 0.189 5.249 1.00 0.00 H new ATOM 0 HA ARG A 72 15.083 2.927 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.045 0.618 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.551 2.223 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.688 1.901 8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.095 1.637 7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.175 -0.799 7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.150 -0.366 8.546 1.00 0.00 H new ATOM 0 HE ARG A 72 14.477 -1.293 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.540 0.989 10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.401 1.135 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.992 -0.971 10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.430 0.046 11.648 1.00 0.00 H new ATOM 1134 N LEU A 73 16.819 2.235 3.196 1.00 0.00 N ATOM 1135 CA LEU A 73 17.230 2.865 1.945 1.00 0.00 C ATOM 1136 C LEU A 73 16.063 3.285 1.033 1.00 0.00 C ATOM 1137 O LEU A 73 16.314 3.838 -0.041 1.00 0.00 O ATOM 1138 CB LEU A 73 18.251 1.995 1.214 1.00 0.00 C ATOM 1139 CG LEU A 73 17.993 0.486 1.071 1.00 0.00 C ATOM 1140 CD1 LEU A 73 18.759 -0.317 2.130 1.00 0.00 C ATOM 1141 CD2 LEU A 73 16.529 0.029 1.023 1.00 0.00 C ATOM 0 H LEU A 73 17.079 1.252 3.277 1.00 0.00 H new ATOM 0 HA LEU A 73 17.709 3.804 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.369 2.403 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.208 2.116 1.722 1.00 0.00 H new ATOM 0 HG LEU A 73 18.374 0.273 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.554 -1.380 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.828 -0.138 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.440 -0.005 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.490 -1.055 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.025 0.325 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.031 0.492 0.171 1.00 0.00 H new ATOM 1153 N CYS A 74 14.806 3.047 1.429 1.00 0.00 N ATOM 1154 CA CYS A 74 13.636 3.520 0.720 1.00 0.00 C ATOM 1155 C CYS A 74 13.028 4.734 1.406 1.00 0.00 C ATOM 1156 O CYS A 74 12.218 5.371 0.753 1.00 0.00 O ATOM 1157 CB CYS A 74 12.625 2.380 0.541 1.00 0.00 C ATOM 1158 SG CYS A 74 11.540 2.747 -0.876 1.00 0.00 S ATOM 0 H CYS A 74 14.582 2.510 2.267 1.00 0.00 H new ATOM 0 HA CYS A 74 13.938 3.848 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.148 1.438 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 74 12.030 2.261 1.447 1.00 0.00 H new ATOM 0 HG CYS A 74 10.558 1.896 -0.902 1.00 0.00 H new ATOM 1164 N GLU A 75 13.406 5.107 2.640 1.00 0.00 N ATOM 1165 CA GLU A 75 12.718 6.105 3.470 1.00 0.00 C ATOM 1166 C GLU A 75 12.477 7.423 2.732 1.00 0.00 C ATOM 1167 O GLU A 75 11.490 8.113 2.976 1.00 0.00 O ATOM 1168 CB GLU A 75 13.499 6.312 4.772 1.00 0.00 C ATOM 1169 CG GLU A 75 14.911 6.869 4.552 1.00 0.00 C ATOM 1170 CD GLU A 75 15.098 8.301 5.035 1.00 0.00 C ATOM 1171 OE1 GLU A 75 15.111 8.514 6.267 1.00 0.00 O ATOM 1172 OE2 GLU A 75 15.416 9.185 4.210 1.00 0.00 O ATOM 0 H GLU A 75 14.225 4.709 3.100 1.00 0.00 H new ATOM 0 HA GLU A 75 11.726 5.721 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.944 6.994 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.570 5.361 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.627 6.227 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 75 15.147 6.822 3.489 1.00 0.00 H new ATOM 1179 N GLU A 76 13.309 7.720 1.739 1.00 0.00 N ATOM 1180 CA GLU A 76 13.155 8.846 0.850 1.00 0.00 C ATOM 1181 C GLU A 76 11.817 8.861 0.084 1.00 0.00 C ATOM 1182 O GLU A 76 11.477 9.903 -0.476 1.00 0.00 O ATOM 1183 CB GLU A 76 14.310 8.868 -0.156 1.00 0.00 C ATOM 1184 CG GLU A 76 15.666 9.098 0.517 1.00 0.00 C ATOM 1185 CD GLU A 76 16.770 9.101 -0.538 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.040 10.189 -1.098 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.360 8.023 -0.793 1.00 0.00 O ATOM 0 H GLU A 76 14.135 7.158 1.531 1.00 0.00 H new ATOM 0 HA GLU A 76 13.163 9.734 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.333 7.923 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.134 9.654 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.660 10.047 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.855 8.316 1.253 1.00 0.00 H new ATOM 1194 N MET A 77 11.064 7.756 0.009 1.00 0.00 N ATOM 1195 CA MET A 77 9.808 7.659 -0.723 1.00 0.00 C ATOM 1196 C MET A 77 8.623 7.674 0.234 1.00 0.00 C ATOM 1197 O MET A 77 7.492 7.779 -0.254 1.00 0.00 O ATOM 1198 CB MET A 77 9.778 6.353 -1.546 1.00 0.00 C ATOM 1199 CG MET A 77 9.730 6.571 -3.055 1.00 0.00 C ATOM 1200 SD MET A 77 8.959 5.165 -3.899 1.00 0.00 S ATOM 1201 CE MET A 77 9.530 5.495 -5.577 1.00 0.00 C ATOM 0 H MET A 77 11.324 6.885 0.471 1.00 0.00 H new ATOM 0 HA MET A 77 9.736 8.518 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.661 5.762 -1.303 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.909 5.767 -1.246 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.172 7.481 -3.276 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.741 6.717 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.151 4.725 -6.248 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.165 6.470 -5.900 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.620 5.490 -5.598 1.00 0.00 H new ATOM 1211 N LEU A 78 8.856 7.507 1.544 1.00 0.00 N ATOM 1212 CA LEU A 78 7.844 7.334 2.554 1.00 0.00 C ATOM 1213 C LEU A 78 8.005 8.406 3.635 1.00 0.00 C ATOM 1214 O LEU A 78 7.180 9.303 3.713 1.00 0.00 O ATOM 1215 CB LEU A 78 7.923 5.921 3.161 1.00 0.00 C ATOM 1216 CG LEU A 78 8.266 4.677 2.312 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.202 4.303 1.278 1.00 0.00 C ATOM 1218 CD2 LEU A 78 9.658 4.547 1.708 1.00 0.00 C ATOM 0 H LEU A 78 9.801 7.491 1.928 1.00 0.00 H new ATOM 0 HA LEU A 78 6.861 7.445 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.660 5.966 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.957 5.726 3.626 1.00 0.00 H new ATOM 0 HG LEU A 78 8.271 3.944 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.524 3.419 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.261 4.091 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.062 5.132 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.725 3.616 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.845 5.389 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.402 4.543 2.505 1.00 0.00 H new ATOM 1230 N ASP A 79 9.066 8.368 4.436 1.00 0.00 N ATOM 1231 CA ASP A 79 9.349 9.357 5.474 1.00 0.00 C ATOM 1232 C ASP A 79 9.412 10.722 4.808 1.00 0.00 C ATOM 1233 O ASP A 79 8.552 11.577 4.995 1.00 0.00 O ATOM 1234 CB ASP A 79 10.687 9.055 6.172 1.00 0.00 C ATOM 1235 CG ASP A 79 10.639 7.814 7.057 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.458 6.690 6.535 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.839 7.934 8.290 1.00 0.00 O ATOM 0 H ASP A 79 9.770 7.632 4.381 1.00 0.00 H new ATOM 0 HA ASP A 79 8.566 9.330 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.462 8.924 5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.975 9.914 6.778 1.00 0.00 H new ATOM 1242 N ASN A 80 10.384 10.875 3.918 1.00 0.00 N ATOM 1243 CA ASN A 80 10.660 12.097 3.178 1.00 0.00 C ATOM 1244 C ASN A 80 9.618 12.383 2.090 1.00 0.00 C ATOM 1245 O ASN A 80 9.778 13.310 1.295 1.00 0.00 O ATOM 1246 CB ASN A 80 12.020 11.888 2.535 1.00 0.00 C ATOM 1247 CG ASN A 80 12.650 13.130 1.930 1.00 0.00 C ATOM 1248 OD1 ASN A 80 12.457 14.240 2.401 1.00 0.00 O ATOM 1249 ND2 ASN A 80 13.411 12.976 0.855 1.00 0.00 N ATOM 0 H ASN A 80 11.027 10.119 3.683 1.00 0.00 H new ATOM 0 HA ASN A 80 10.632 12.952 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.700 11.485 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.922 11.133 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.841 13.789 0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.566 12.045 0.469 1.00 0.00 H new ATOM 1256 N ARG A 81 8.565 11.567 1.987 1.00 0.00 N ATOM 1257 CA ARG A 81 7.430 11.866 1.137 1.00 0.00 C ATOM 1258 C ARG A 81 6.763 13.138 1.606 1.00 0.00 C ATOM 1259 O ARG A 81 6.411 13.981 0.774 1.00 0.00 O ATOM 1260 CB ARG A 81 6.404 10.724 1.215 1.00 0.00 C ATOM 1261 CG ARG A 81 5.241 10.878 0.246 1.00 0.00 C ATOM 1262 CD ARG A 81 5.756 10.765 -1.180 1.00 0.00 C ATOM 1263 NE ARG A 81 4.766 11.238 -2.157 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.340 12.499 -2.343 1.00 0.00 C ATOM 1265 NH1 ARG A 81 4.819 13.526 -1.641 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.409 12.716 -3.268 1.00 0.00 N ATOM 0 H ARG A 81 8.484 10.685 2.493 1.00 0.00 H new ATOM 0 HA ARG A 81 7.782 11.982 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.909 9.779 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.013 10.667 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.491 10.110 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.755 11.842 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.673 11.345 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.010 9.727 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 81 4.355 10.528 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.536 13.369 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.469 14.469 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.039 11.937 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.065 13.662 -3.433 1.00 0.00 H new ATOM 1280 N ALA A 82 6.470 13.168 2.902 1.00 0.00 N ATOM 1281 CA ALA A 82 5.536 14.100 3.504 1.00 0.00 C ATOM 1282 C ALA A 82 5.711 14.188 5.024 1.00 0.00 C ATOM 1283 O ALA A 82 4.890 14.825 5.690 1.00 0.00 O ATOM 1284 CB ALA A 82 4.113 13.625 3.168 1.00 0.00 C ATOM 0 H ALA A 82 6.889 12.527 3.576 1.00 0.00 H new ATOM 0 HA ALA A 82 5.723 15.097 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.388 14.309 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.982 13.605 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.959 12.624 3.570 1.00 0.00 H new ATOM 1290 N THR A 83 6.718 13.520 5.595 1.00 0.00 N ATOM 1291 CA THR A 83 6.876 13.236 7.025 1.00 0.00 C ATOM 1292 C THR A 83 5.694 12.438 7.618 1.00 0.00 C ATOM 1293 O THR A 83 5.506 12.428 8.830 1.00 0.00 O ATOM 1294 CB THR A 83 7.287 14.516 7.795 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.283 15.518 7.823 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.531 15.150 7.159 1.00 0.00 C ATOM 0 H THR A 83 7.487 13.142 5.042 1.00 0.00 H new ATOM 0 HA THR A 83 7.710 12.546 7.154 1.00 0.00 H new ATOM 0 HB THR A 83 7.473 14.180 8.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.513 15.224 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.805 16.048 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.357 14.439 7.188 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.316 15.414 6.124 1.00 0.00 H new ATOM 1304 N LEU A 84 4.880 11.793 6.762 1.00 0.00 N ATOM 1305 CA LEU A 84 3.526 11.332 7.104 1.00 0.00 C ATOM 1306 C LEU A 84 3.145 9.951 6.562 1.00 0.00 C ATOM 1307 O LEU A 84 2.215 9.340 7.105 1.00 0.00 O ATOM 1308 CB LEU A 84 2.495 12.349 6.604 1.00 0.00 C ATOM 1309 CG LEU A 84 1.600 12.930 7.706 1.00 0.00 C ATOM 1310 CD1 LEU A 84 2.372 13.804 8.704 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.506 13.789 7.067 1.00 0.00 C ATOM 0 H LEU A 84 5.149 11.576 5.802 1.00 0.00 H new ATOM 0 HA LEU A 84 3.527 11.242 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.018 13.166 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.865 11.872 5.853 1.00 0.00 H new ATOM 0 HG LEU A 84 1.182 12.084 8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.686 14.186 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.147 13.208 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.832 14.639 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.133 14.204 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.964 14.601 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.094 13.174 6.396 1.00 0.00 H new ATOM 1323 N GLN A 85 3.779 9.496 5.477 1.00 0.00 N ATOM 1324 CA GLN A 85 3.497 8.189 4.878 1.00 0.00 C ATOM 1325 C GLN A 85 3.731 7.108 5.942 1.00 0.00 C ATOM 1326 O GLN A 85 2.955 6.134 6.021 1.00 0.00 O ATOM 1327 CB GLN A 85 4.334 7.949 3.599 1.00 0.00 C ATOM 1328 CG GLN A 85 3.513 7.579 2.349 1.00 0.00 C ATOM 1329 CD GLN A 85 4.117 6.423 1.555 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.892 5.252 1.827 1.00 0.00 O ATOM 1331 NE2 GLN A 85 4.912 6.710 0.538 1.00 0.00 N ATOM 0 H GLN A 85 4.503 10.024 4.989 1.00 0.00 H new ATOM 0 HA GLN A 85 2.457 8.151 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.910 8.849 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.050 7.151 3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.500 7.313 2.653 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.433 8.453 1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.107 7.683 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.330 5.958 -0.010 1.00 0.00 H new TER 1340 GLN A 85