USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 681 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 54 MET CE :methyl -165:sc= -2.28 (180deg=-3.24) USER MOD Set 1.2: A 77 MET CE :methyl -176:sc= -4.36! (180deg=-4.56) USER MOD Set 2.1: A 64 MET CE :methyl -160:sc= -5.03! (180deg=-5.29!) USER MOD Set 2.2: A 65 GLN :FLIP amide:sc= -4.09! C(o=-10!,f=-9.1!) USER MOD Set 3.1: A 11 THR OG1 : rot -77:sc= 0.136 USER MOD Set 3.2: A 12 SER OG : rot -147:sc= 1.07 USER MOD Set 3.3: A 38 HIS : no HE2:sc= 0.0825 K(o=2.5,f=-1.6) USER MOD Set 3.4: A 39 ASN : amide:sc= 1.18 K(o=2.5,f=0.56) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -129:sc= 0 (180deg=-0.0547) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -101:sc= 0.93 (180deg=-1.3!) USER MOD Single : A 10 CYS SG : rot -47:sc= 0.404 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.439 K(o=0.44,f=-1.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.663 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) 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+ 179:sc= 1.21 (180deg=1.19) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -20:sc= 0.332 USER MOD Single : A 71 ASN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 74 CYS SG : rot -52:sc= -0.967 USER MOD Single : A 80 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -1.03 F(o=-1.7!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.233 -18.295 -10.075 1.00 0.00 N ATOM 2 CA GLY A 1 -11.050 -19.747 -9.935 1.00 0.00 C ATOM 3 C GLY A 1 -10.225 -20.136 -8.719 1.00 0.00 C ATOM 4 O GLY A 1 -10.594 -21.059 -7.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.803 -18.097 -10.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.721 -17.924 -9.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.305 -17.835 -10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.028 -20.224 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.566 -20.133 -10.832 1.00 0.00 H new ATOM 8 N HIS A 2 -9.065 -19.514 -8.508 1.00 0.00 N ATOM 9 CA HIS A 2 -8.134 -19.846 -7.441 1.00 0.00 C ATOM 10 C HIS A 2 -7.588 -18.546 -6.851 1.00 0.00 C ATOM 11 O HIS A 2 -7.191 -17.650 -7.608 1.00 0.00 O ATOM 12 CB HIS A 2 -7.033 -20.741 -8.022 1.00 0.00 C ATOM 13 CG HIS A 2 -6.189 -21.412 -6.975 1.00 0.00 C ATOM 14 ND1 HIS A 2 -6.477 -22.603 -6.355 1.00 0.00 N ATOM 15 CD2 HIS A 2 -4.975 -20.985 -6.519 1.00 0.00 C ATOM 16 CE1 HIS A 2 -5.436 -22.906 -5.561 1.00 0.00 C ATOM 17 NE2 HIS A 2 -4.492 -21.945 -5.620 1.00 0.00 N ATOM 0 H HIS A 2 -8.742 -18.744 -9.094 1.00 0.00 H new ATOM 0 HA HIS A 2 -8.618 -20.396 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -7.491 -21.504 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.390 -20.141 -8.665 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -4.476 -20.070 -6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.365 -23.799 -4.957 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -3.607 -21.922 -5.114 1.00 0.00 H new ATOM 25 N SER A 3 -7.586 -18.461 -5.521 1.00 0.00 N ATOM 26 CA SER A 3 -7.078 -17.347 -4.731 1.00 0.00 C ATOM 27 C SER A 3 -5.901 -17.838 -3.897 1.00 0.00 C ATOM 28 O SER A 3 -5.754 -19.046 -3.669 1.00 0.00 O ATOM 29 CB SER A 3 -8.158 -16.805 -3.778 1.00 0.00 C ATOM 30 OG SER A 3 -9.431 -16.675 -4.388 1.00 0.00 O ATOM 0 H SER A 3 -7.960 -19.209 -4.937 1.00 0.00 H new ATOM 0 HA SER A 3 -6.776 -16.549 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.241 -17.470 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.843 -15.833 -3.399 1.00 0.00 H new ATOM 0 HG SER A 3 -10.073 -16.329 -3.734 1.00 0.00 H new ATOM 36 N LYS A 4 -5.121 -16.918 -3.335 1.00 0.00 N ATOM 37 CA LYS A 4 -4.139 -17.247 -2.314 1.00 0.00 C ATOM 38 C LYS A 4 -4.032 -16.068 -1.360 1.00 0.00 C ATOM 39 O LYS A 4 -4.318 -14.933 -1.742 1.00 0.00 O ATOM 40 CB LYS A 4 -2.796 -17.605 -2.988 1.00 0.00 C ATOM 41 CG LYS A 4 -2.350 -19.021 -2.606 1.00 0.00 C ATOM 42 CD LYS A 4 -1.652 -19.064 -1.239 1.00 0.00 C ATOM 43 CE LYS A 4 -0.156 -18.755 -1.346 1.00 0.00 C ATOM 44 NZ LYS A 4 0.633 -19.967 -1.642 1.00 0.00 N ATOM 0 H LYS A 4 -5.154 -15.927 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.439 -18.120 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.897 -17.532 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.032 -16.887 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.218 -19.681 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.673 -19.404 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.123 -18.345 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.787 -20.050 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.007 -18.014 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.192 -18.314 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.641 -19.718 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.497 -20.664 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.318 -20.374 -2.546 1.00 0.00 H new ATOM 58 N MET A 5 -3.652 -16.357 -0.118 1.00 0.00 N ATOM 59 CA MET A 5 -3.306 -15.334 0.842 1.00 0.00 C ATOM 60 C MET A 5 -2.094 -14.551 0.356 1.00 0.00 C ATOM 61 O MET A 5 -1.213 -15.110 -0.296 1.00 0.00 O ATOM 62 CB MET A 5 -3.015 -15.956 2.215 1.00 0.00 C ATOM 63 CG MET A 5 -1.872 -16.977 2.273 1.00 0.00 C ATOM 64 SD MET A 5 -1.344 -17.359 3.964 1.00 0.00 S ATOM 65 CE MET A 5 -0.357 -15.885 4.341 1.00 0.00 C ATOM 0 H MET A 5 -3.578 -17.308 0.243 1.00 0.00 H new ATOM 0 HA MET A 5 -4.152 -14.655 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.789 -15.151 2.914 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.924 -16.441 2.570 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.189 -17.897 1.781 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.021 -16.593 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.619 -16.188 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.227 -15.293 3.435 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.869 -15.287 5.095 1.00 0.00 H new ATOM 75 N SER A 6 -2.017 -13.301 0.801 1.00 0.00 N ATOM 76 CA SER A 6 -0.890 -12.402 0.588 1.00 0.00 C ATOM 77 C SER A 6 -0.358 -11.863 1.930 1.00 0.00 C ATOM 78 O SER A 6 0.411 -10.905 1.956 1.00 0.00 O ATOM 79 CB SER A 6 -1.303 -11.283 -0.375 1.00 0.00 C ATOM 80 OG SER A 6 -2.008 -11.806 -1.489 1.00 0.00 O ATOM 0 H SER A 6 -2.768 -12.870 1.341 1.00 0.00 H new ATOM 0 HA SER A 6 -0.066 -12.949 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.928 -10.560 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.417 -10.749 -0.719 1.00 0.00 H new ATOM 0 HG SER A 6 -2.263 -11.074 -2.088 1.00 0.00 H new ATOM 86 N ASP A 7 -0.757 -12.487 3.048 1.00 0.00 N ATOM 87 CA ASP A 7 -0.285 -12.187 4.400 1.00 0.00 C ATOM 88 C ASP A 7 -0.722 -10.785 4.803 1.00 0.00 C ATOM 89 O ASP A 7 0.077 -9.891 5.057 1.00 0.00 O ATOM 90 CB ASP A 7 1.224 -12.486 4.515 1.00 0.00 C ATOM 91 CG ASP A 7 1.527 -13.367 5.712 1.00 0.00 C ATOM 92 OD1 ASP A 7 0.956 -13.136 6.799 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.332 -14.310 5.587 1.00 0.00 O ATOM 0 H ASP A 7 -1.443 -13.242 3.030 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.749 -12.844 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.569 -12.976 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.776 -11.550 4.602 1.00 0.00 H new ATOM 98 N VAL A 8 -2.036 -10.582 4.831 1.00 0.00 N ATOM 99 CA VAL A 8 -2.666 -9.278 4.802 1.00 0.00 C ATOM 100 C VAL A 8 -3.222 -9.038 6.200 1.00 0.00 C ATOM 101 O VAL A 8 -4.337 -9.464 6.513 1.00 0.00 O ATOM 102 CB VAL A 8 -3.726 -9.268 3.678 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.215 -7.850 3.426 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.182 -9.838 2.363 1.00 0.00 C ATOM 0 H VAL A 8 -2.707 -11.349 4.876 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.983 -8.461 4.569 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.547 -9.900 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.961 -7.858 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.660 -7.451 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.375 -7.223 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.963 -9.810 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.332 -9.241 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.863 -10.869 2.518 1.00 0.00 H new ATOM 114 N LYS A 9 -2.397 -8.464 7.076 1.00 0.00 N ATOM 115 CA LYS A 9 -2.657 -8.407 8.523 1.00 0.00 C ATOM 116 C LYS A 9 -2.724 -7.023 9.169 1.00 0.00 C ATOM 117 O LYS A 9 -2.960 -6.954 10.376 1.00 0.00 O ATOM 118 CB LYS A 9 -1.746 -9.355 9.299 1.00 0.00 C ATOM 119 CG LYS A 9 -0.265 -9.076 9.025 1.00 0.00 C ATOM 120 CD LYS A 9 0.365 -10.341 8.478 1.00 0.00 C ATOM 121 CE LYS A 9 1.714 -9.951 7.874 1.00 0.00 C ATOM 122 NZ LYS A 9 2.600 -11.095 7.641 1.00 0.00 N ATOM 0 H LYS A 9 -1.520 -8.020 6.803 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.688 -8.754 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.943 -9.255 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.978 -10.385 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.158 -8.259 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.239 -8.766 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.497 -11.078 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.277 -10.795 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.545 -9.434 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.211 -9.245 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.307 -11.147 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.040 -11.971 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.083 -10.979 6.727 1.00 0.00 H new ATOM 136 N CYS A 10 -2.606 -5.964 8.370 1.00 0.00 N ATOM 137 CA CYS A 10 -2.553 -4.544 8.730 1.00 0.00 C ATOM 138 C CYS A 10 -1.248 -4.204 9.477 1.00 0.00 C ATOM 139 O CYS A 10 -0.476 -5.094 9.818 1.00 0.00 O ATOM 140 CB CYS A 10 -3.881 -4.060 9.359 1.00 0.00 C ATOM 141 SG CYS A 10 -4.056 -4.298 11.149 1.00 0.00 S ATOM 0 H CYS A 10 -2.539 -6.088 7.360 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.486 -3.936 7.828 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.995 -2.998 9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.703 -4.577 8.863 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.702 -5.509 11.462 1.00 0.00 H new ATOM 147 N THR A 11 -0.946 -2.912 9.642 1.00 0.00 N ATOM 148 CA THR A 11 0.334 -2.407 10.163 1.00 0.00 C ATOM 149 C THR A 11 0.216 -0.904 10.360 1.00 0.00 C ATOM 150 O THR A 11 0.225 -0.403 11.480 1.00 0.00 O ATOM 151 CB THR A 11 1.544 -2.825 9.279 1.00 0.00 C ATOM 152 OG1 THR A 11 2.731 -2.100 9.575 1.00 0.00 O ATOM 153 CG2 THR A 11 1.337 -2.766 7.760 1.00 0.00 C ATOM 0 H THR A 11 -1.602 -2.166 9.411 1.00 0.00 H new ATOM 0 HA THR A 11 0.541 -2.866 11.130 1.00 0.00 H new ATOM 0 HB THR A 11 1.644 -3.875 9.554 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.671 -1.202 9.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.251 -3.080 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.520 -3.430 7.478 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.093 -1.745 7.465 1.00 0.00 H new ATOM 161 N SER A 12 0.093 -0.186 9.259 1.00 0.00 N ATOM 162 CA SER A 12 0.215 1.248 9.146 1.00 0.00 C ATOM 163 C SER A 12 -1.162 1.763 8.782 1.00 0.00 C ATOM 164 O SER A 12 -1.850 1.141 7.967 1.00 0.00 O ATOM 165 CB SER A 12 1.252 1.476 8.054 1.00 0.00 C ATOM 166 OG SER A 12 2.477 0.802 8.299 1.00 0.00 O ATOM 0 H SER A 12 -0.109 -0.624 8.360 1.00 0.00 H new ATOM 0 HA SER A 12 0.537 1.766 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.845 1.142 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.445 2.545 7.962 1.00 0.00 H new ATOM 0 HG SER A 12 3.219 1.329 7.936 1.00 0.00 H new ATOM 172 N VAL A 13 -1.634 2.820 9.434 1.00 0.00 N ATOM 173 CA VAL A 13 -2.978 3.327 9.166 1.00 0.00 C ATOM 174 C VAL A 13 -3.033 4.102 7.846 1.00 0.00 C ATOM 175 O VAL A 13 -4.096 4.208 7.243 1.00 0.00 O ATOM 176 CB VAL A 13 -3.500 4.147 10.348 1.00 0.00 C ATOM 177 CG1 VAL A 13 -3.609 3.246 11.580 1.00 0.00 C ATOM 178 CG2 VAL A 13 -2.633 5.363 10.682 1.00 0.00 C ATOM 0 H VAL A 13 -1.115 3.338 10.143 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.645 2.473 9.050 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.477 4.532 10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.981 3.827 12.424 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.298 2.427 11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.627 2.841 11.823 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.064 5.896 11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.626 5.033 10.935 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.591 6.028 9.819 1.00 0.00 H new ATOM 188 N VAL A 14 -1.893 4.571 7.342 1.00 0.00 N ATOM 189 CA VAL A 14 -1.719 5.287 6.089 1.00 0.00 C ATOM 190 C VAL A 14 -2.386 4.572 4.916 1.00 0.00 C ATOM 191 O VAL A 14 -2.907 5.215 4.014 1.00 0.00 O ATOM 192 CB VAL A 14 -0.218 5.533 5.895 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.648 4.278 5.809 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.071 6.432 4.728 1.00 0.00 C ATOM 0 H VAL A 14 -1.009 4.450 7.836 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.227 6.250 6.128 1.00 0.00 H new ATOM 0 HB VAL A 14 0.069 6.034 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.691 4.564 5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.547 3.703 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.325 3.670 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.148 6.573 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.315 5.979 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.409 7.398 4.885 1.00 0.00 H new ATOM 204 N LEU A 15 -2.416 3.240 4.912 1.00 0.00 N ATOM 205 CA LEU A 15 -3.049 2.464 3.843 1.00 0.00 C ATOM 206 C LEU A 15 -4.549 2.503 4.075 1.00 0.00 C ATOM 207 O LEU A 15 -5.337 2.829 3.196 1.00 0.00 O ATOM 208 CB LEU A 15 -2.541 1.002 3.787 1.00 0.00 C ATOM 209 CG LEU A 15 -1.218 0.737 4.523 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.952 -0.758 4.626 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.047 1.452 3.847 1.00 0.00 C ATOM 0 H LEU A 15 -2.003 2.668 5.648 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.790 2.906 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.308 0.352 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.420 0.717 2.742 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.312 1.141 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.011 -0.925 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.763 -1.235 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.891 -1.186 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.872 1.242 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.052 1.097 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.230 2.527 3.843 1.00 0.00 H new ATOM 223 N LEU A 16 -4.939 2.102 5.274 1.00 0.00 N ATOM 224 CA LEU A 16 -6.269 1.684 5.665 1.00 0.00 C ATOM 225 C LEU A 16 -7.221 2.851 5.850 1.00 0.00 C ATOM 226 O LEU A 16 -8.382 2.791 5.450 1.00 0.00 O ATOM 227 CB LEU A 16 -6.064 0.933 6.978 1.00 0.00 C ATOM 228 CG LEU A 16 -5.695 -0.521 6.674 1.00 0.00 C ATOM 229 CD1 LEU A 16 -4.636 -1.033 7.631 1.00 0.00 C ATOM 230 CD2 LEU A 16 -6.973 -1.338 6.715 1.00 0.00 C ATOM 0 H LEU A 16 -4.283 2.058 6.054 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.731 1.070 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.275 1.406 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.973 0.972 7.579 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.250 -0.606 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.396 -2.068 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.738 -0.422 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.012 -0.978 8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.744 -2.382 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.423 -1.260 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.671 -0.960 5.968 1.00 0.00 H new ATOM 242 N SER A 17 -6.742 3.921 6.453 1.00 0.00 N ATOM 243 CA SER A 17 -7.499 5.133 6.662 1.00 0.00 C ATOM 244 C SER A 17 -7.894 5.740 5.309 1.00 0.00 C ATOM 245 O SER A 17 -9.001 6.248 5.150 1.00 0.00 O ATOM 246 CB SER A 17 -6.586 6.063 7.474 1.00 0.00 C ATOM 247 OG SER A 17 -7.246 7.218 7.925 1.00 0.00 O ATOM 0 H SER A 17 -5.791 3.970 6.819 1.00 0.00 H new ATOM 0 HA SER A 17 -8.431 4.958 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.191 5.518 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.733 6.354 6.860 1.00 0.00 H new ATOM 0 HG SER A 17 -6.621 7.773 8.437 1.00 0.00 H new ATOM 253 N VAL A 18 -7.028 5.644 4.296 1.00 0.00 N ATOM 254 CA VAL A 18 -7.312 6.118 2.948 1.00 0.00 C ATOM 255 C VAL A 18 -8.442 5.291 2.339 1.00 0.00 C ATOM 256 O VAL A 18 -9.160 5.807 1.497 1.00 0.00 O ATOM 257 CB VAL A 18 -6.025 6.014 2.110 1.00 0.00 C ATOM 258 CG1 VAL A 18 -6.149 6.470 0.653 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.933 6.905 2.719 1.00 0.00 C ATOM 0 H VAL A 18 -6.101 5.230 4.395 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.636 7.159 2.968 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.793 4.949 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.187 6.356 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.897 5.862 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.451 7.517 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.025 6.827 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.273 7.941 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.725 6.581 3.739 1.00 0.00 H new ATOM 269 N LEU A 19 -8.647 4.033 2.741 1.00 0.00 N ATOM 270 CA LEU A 19 -9.708 3.200 2.188 1.00 0.00 C ATOM 271 C LEU A 19 -11.021 3.566 2.877 1.00 0.00 C ATOM 272 O LEU A 19 -12.030 3.796 2.207 1.00 0.00 O ATOM 273 CB LEU A 19 -9.315 1.723 2.358 1.00 0.00 C ATOM 274 CG LEU A 19 -8.275 1.171 1.349 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.585 2.199 0.442 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.257 0.269 2.051 1.00 0.00 C ATOM 0 H LEU A 19 -8.084 3.570 3.454 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.848 3.370 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.921 1.587 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.218 1.117 2.285 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.872 0.584 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.882 1.689 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.334 2.716 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.048 2.923 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.539 -0.105 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.732 0.840 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.774 -0.571 2.515 1.00 0.00 H new ATOM 288 N GLN A 20 -10.962 3.698 4.202 1.00 0.00 N ATOM 289 CA GLN A 20 -12.039 4.115 5.091 1.00 0.00 C ATOM 290 C GLN A 20 -12.403 5.596 4.915 1.00 0.00 C ATOM 291 O GLN A 20 -13.417 6.032 5.468 1.00 0.00 O ATOM 292 CB GLN A 20 -11.579 3.834 6.540 1.00 0.00 C ATOM 293 CG GLN A 20 -11.360 2.330 6.778 1.00 0.00 C ATOM 294 CD GLN A 20 -10.880 1.964 8.180 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.636 1.449 9.006 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.611 2.172 8.480 1.00 0.00 N ATOM 0 H GLN A 20 -10.102 3.503 4.714 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.942 3.554 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.654 4.374 6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.326 4.210 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.295 1.806 6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.632 1.965 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.988 2.598 7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.254 1.906 9.398 1.00 0.00 H new ATOM 305 N GLN A 21 -11.632 6.376 4.144 1.00 0.00 N ATOM 306 CA GLN A 21 -12.039 7.714 3.746 1.00 0.00 C ATOM 307 C GLN A 21 -13.232 7.642 2.796 1.00 0.00 C ATOM 308 O GLN A 21 -14.060 8.555 2.827 1.00 0.00 O ATOM 309 CB GLN A 21 -10.890 8.538 3.123 1.00 0.00 C ATOM 310 CG GLN A 21 -10.394 9.501 4.197 1.00 0.00 C ATOM 311 CD GLN A 21 -9.379 10.534 3.732 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.683 11.710 3.614 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.129 10.155 3.550 1.00 0.00 N ATOM 0 H GLN A 21 -10.720 6.093 3.786 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.332 8.239 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.084 7.884 2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.239 9.085 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.253 10.025 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.950 8.919 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.875 9.172 3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.417 10.845 3.311 1.00 0.00 H new ATOM 322 N LEU A 22 -13.326 6.592 1.963 1.00 0.00 N ATOM 323 CA LEU A 22 -14.247 6.621 0.840 1.00 0.00 C ATOM 324 C LEU A 22 -15.452 5.741 1.126 1.00 0.00 C ATOM 325 O LEU A 22 -16.475 6.257 1.571 1.00 0.00 O ATOM 326 CB LEU A 22 -13.597 6.292 -0.518 1.00 0.00 C ATOM 327 CG LEU A 22 -12.464 7.218 -0.981 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.822 8.698 -1.022 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.181 6.952 -0.210 1.00 0.00 C ATOM 0 H LEU A 22 -12.783 5.733 2.052 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.581 7.654 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.208 5.275 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.377 6.301 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.291 6.960 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.959 9.272 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.653 8.852 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.110 9.030 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.399 7.624 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.353 7.121 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.870 5.919 -0.367 1.00 0.00 H new ATOM 341 N ARG A 23 -15.344 4.438 0.836 1.00 0.00 N ATOM 342 CA ARG A 23 -16.404 3.430 0.967 1.00 0.00 C ATOM 343 C ARG A 23 -15.917 2.051 0.507 1.00 0.00 C ATOM 344 O ARG A 23 -16.643 1.322 -0.170 1.00 0.00 O ATOM 345 CB ARG A 23 -17.714 3.832 0.233 1.00 0.00 C ATOM 346 CG ARG A 23 -17.707 3.955 -1.306 1.00 0.00 C ATOM 347 CD ARG A 23 -16.841 5.096 -1.855 1.00 0.00 C ATOM 348 NE ARG A 23 -17.396 5.700 -3.083 1.00 0.00 N ATOM 349 CZ ARG A 23 -17.716 5.062 -4.218 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.265 3.839 -4.463 1.00 0.00 N ATOM 351 NH2 ARG A 23 -18.523 5.644 -5.095 1.00 0.00 N ATOM 0 H ARG A 23 -14.473 4.039 0.487 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.646 3.374 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.477 3.101 0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.036 4.792 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.356 3.014 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.731 4.097 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.738 5.867 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.840 4.718 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.552 6.708 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.666 3.371 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.517 3.367 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.898 6.573 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.769 5.162 -5.960 1.00 0.00 H new ATOM 365 N VAL A 24 -14.650 1.740 0.767 1.00 0.00 N ATOM 366 CA VAL A 24 -14.006 0.556 0.219 1.00 0.00 C ATOM 367 C VAL A 24 -14.759 -0.742 0.450 1.00 0.00 C ATOM 368 O VAL A 24 -15.414 -0.962 1.470 1.00 0.00 O ATOM 369 CB VAL A 24 -12.537 0.511 0.662 1.00 0.00 C ATOM 370 CG1 VAL A 24 -11.817 -0.833 0.529 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.826 1.383 -0.366 1.00 0.00 C ATOM 0 H VAL A 24 -14.044 2.303 1.363 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.030 0.650 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.517 0.789 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.788 -0.730 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.330 -1.582 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.819 -1.145 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.761 1.418 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.971 0.964 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.237 2.392 -0.334 1.00 0.00 H new ATOM 381 N GLU A 25 -14.607 -1.619 -0.538 1.00 0.00 N ATOM 382 CA GLU A 25 -14.954 -3.011 -0.439 1.00 0.00 C ATOM 383 C GLU A 25 -13.931 -3.698 0.472 1.00 0.00 C ATOM 384 O GLU A 25 -12.901 -4.197 0.003 1.00 0.00 O ATOM 385 CB GLU A 25 -14.965 -3.658 -1.824 1.00 0.00 C ATOM 386 CG GLU A 25 -15.928 -2.990 -2.813 1.00 0.00 C ATOM 387 CD GLU A 25 -16.255 -3.945 -3.970 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.818 -5.036 -3.721 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.793 -3.670 -5.110 1.00 0.00 O ATOM 0 H GLU A 25 -14.228 -1.362 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.953 -3.118 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.957 -3.628 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.236 -4.709 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.846 -2.703 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.482 -2.075 -3.203 1.00 0.00 H new ATOM 396 N SER A 26 -14.193 -3.708 1.778 1.00 0.00 N ATOM 397 CA SER A 26 -13.424 -4.525 2.698 1.00 0.00 C ATOM 398 C SER A 26 -13.684 -6.008 2.412 1.00 0.00 C ATOM 399 O SER A 26 -12.762 -6.819 2.487 1.00 0.00 O ATOM 400 CB SER A 26 -13.738 -4.119 4.138 1.00 0.00 C ATOM 401 OG SER A 26 -15.124 -4.189 4.408 1.00 0.00 O ATOM 0 H SER A 26 -14.932 -3.158 2.216 1.00 0.00 H new ATOM 0 HA SER A 26 -12.356 -4.361 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.199 -4.771 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.383 -3.104 4.316 1.00 0.00 H new ATOM 0 HG SER A 26 -15.290 -3.925 5.337 1.00 0.00 H new ATOM 407 N SER A 27 -14.903 -6.367 1.981 1.00 0.00 N ATOM 408 CA SER A 27 -15.257 -7.702 1.511 1.00 0.00 C ATOM 409 C SER A 27 -14.683 -7.994 0.110 1.00 0.00 C ATOM 410 O SER A 27 -15.288 -8.747 -0.662 1.00 0.00 O ATOM 411 CB SER A 27 -16.783 -7.899 1.596 1.00 0.00 C ATOM 412 OG SER A 27 -17.541 -7.043 0.753 1.00 0.00 O ATOM 0 H SER A 27 -15.686 -5.714 1.952 1.00 0.00 H new ATOM 0 HA SER A 27 -14.794 -8.440 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.016 -8.934 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 27 -17.099 -7.743 2.628 1.00 0.00 H new ATOM 0 HG SER A 27 -18.496 -7.234 0.866 1.00 0.00 H new ATOM 418 N SER A 28 -13.542 -7.416 -0.277 1.00 0.00 N ATOM 419 CA SER A 28 -12.936 -7.655 -1.576 1.00 0.00 C ATOM 420 C SER A 28 -11.421 -7.513 -1.505 1.00 0.00 C ATOM 421 O SER A 28 -10.856 -6.991 -0.543 1.00 0.00 O ATOM 422 CB SER A 28 -13.510 -6.641 -2.567 1.00 0.00 C ATOM 423 OG SER A 28 -13.292 -7.033 -3.906 1.00 0.00 O ATOM 0 H SER A 28 -13.016 -6.768 0.309 1.00 0.00 H new ATOM 0 HA SER A 28 -13.159 -8.672 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.580 -6.527 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.053 -5.666 -2.395 1.00 0.00 H new ATOM 0 HG SER A 28 -13.674 -6.362 -4.510 1.00 0.00 H new ATOM 429 N LYS A 29 -10.776 -7.899 -2.610 1.00 0.00 N ATOM 430 CA LYS A 29 -9.339 -7.773 -2.798 1.00 0.00 C ATOM 431 C LYS A 29 -8.860 -6.340 -2.663 1.00 0.00 C ATOM 432 O LYS A 29 -7.689 -6.123 -2.397 1.00 0.00 O ATOM 433 CB LYS A 29 -8.891 -8.388 -4.134 1.00 0.00 C ATOM 434 CG LYS A 29 -8.743 -7.428 -5.320 1.00 0.00 C ATOM 435 CD LYS A 29 -10.077 -6.905 -5.852 1.00 0.00 C ATOM 436 CE LYS A 29 -9.785 -5.529 -6.434 1.00 0.00 C ATOM 437 NZ LYS A 29 -10.934 -4.969 -7.170 1.00 0.00 N ATOM 0 H LYS A 29 -11.253 -8.315 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.869 -8.339 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.933 -8.883 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.608 -9.161 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.125 -6.583 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.214 -7.937 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.483 -7.572 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.818 -6.842 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.508 -4.849 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.927 -5.596 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.683 -4.032 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.184 -5.602 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.747 -4.878 -6.527 1.00 0.00 H new ATOM 451 N LEU A 30 -9.724 -5.363 -2.934 1.00 0.00 N ATOM 452 CA LEU A 30 -9.317 -3.971 -3.046 1.00 0.00 C ATOM 453 C LEU A 30 -8.671 -3.520 -1.747 1.00 0.00 C ATOM 454 O LEU A 30 -7.516 -3.124 -1.765 1.00 0.00 O ATOM 455 CB LEU A 30 -10.500 -3.090 -3.479 1.00 0.00 C ATOM 456 CG LEU A 30 -10.102 -1.678 -3.947 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.521 -0.807 -2.830 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.168 -1.699 -5.158 1.00 0.00 C ATOM 0 H LEU A 30 -10.721 -5.517 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.566 -3.866 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.034 -3.591 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.196 -3.001 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.039 -1.215 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.263 0.173 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.260 -0.692 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.626 -1.281 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.920 -0.677 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.254 -2.236 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.663 -2.199 -5.990 1.00 0.00 H new ATOM 470 N TRP A 31 -9.360 -3.634 -0.620 1.00 0.00 N ATOM 471 CA TRP A 31 -8.809 -3.307 0.689 1.00 0.00 C ATOM 472 C TRP A 31 -7.455 -3.988 0.939 1.00 0.00 C ATOM 473 O TRP A 31 -6.538 -3.390 1.511 1.00 0.00 O ATOM 474 CB TRP A 31 -9.887 -3.748 1.679 1.00 0.00 C ATOM 475 CG TRP A 31 -9.549 -3.739 3.124 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.368 -2.646 3.892 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.403 -4.887 4.001 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.051 -3.048 5.174 1.00 0.00 N ATOM 479 CE2 TRP A 31 -9.056 -4.418 5.301 1.00 0.00 C ATOM 480 CE3 TRP A 31 -9.516 -6.279 3.815 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.771 -5.290 6.362 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -9.273 -7.166 4.874 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.893 -6.674 6.133 1.00 0.00 C ATOM 0 H TRP A 31 -10.326 -3.959 -0.588 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.585 -2.245 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.756 -3.106 1.535 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.191 -4.760 1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.457 -1.623 3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.838 -2.405 5.937 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.793 -6.667 2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.467 -4.911 7.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.378 -8.230 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.692 -7.367 6.937 1.00 0.00 H new ATOM 494 N ALA A 32 -7.306 -5.227 0.477 1.00 0.00 N ATOM 495 CA ALA A 32 -6.069 -5.967 0.604 1.00 0.00 C ATOM 496 C ALA A 32 -4.984 -5.505 -0.366 1.00 0.00 C ATOM 497 O ALA A 32 -3.823 -5.589 0.024 1.00 0.00 O ATOM 498 CB ALA A 32 -6.347 -7.437 0.379 1.00 0.00 C ATOM 0 H ALA A 32 -8.048 -5.742 0.003 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.690 -5.785 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.419 -8.001 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.063 -7.790 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.759 -7.581 -0.620 1.00 0.00 H new ATOM 504 N GLN A 33 -5.314 -4.984 -1.561 1.00 0.00 N ATOM 505 CA GLN A 33 -4.361 -4.448 -2.538 1.00 0.00 C ATOM 506 C GLN A 33 -3.354 -3.564 -1.828 1.00 0.00 C ATOM 507 O GLN A 33 -2.161 -3.633 -2.104 1.00 0.00 O ATOM 508 CB GLN A 33 -5.014 -3.572 -3.625 1.00 0.00 C ATOM 509 CG GLN A 33 -5.737 -4.352 -4.719 1.00 0.00 C ATOM 510 CD GLN A 33 -4.860 -4.430 -5.956 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.940 -5.234 -6.033 1.00 0.00 O ATOM 512 NE2 GLN A 33 -5.121 -3.613 -6.966 1.00 0.00 N ATOM 0 H GLN A 33 -6.281 -4.924 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.908 -5.318 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.724 -2.895 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.244 -2.954 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.976 -5.355 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.682 -3.866 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.889 -2.945 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.554 -3.652 -7.813 1.00 0.00 H new ATOM 521 N CYS A 34 -3.863 -2.735 -0.923 1.00 0.00 N ATOM 522 CA CYS A 34 -3.028 -1.807 -0.179 1.00 0.00 C ATOM 523 C CYS A 34 -2.297 -2.522 0.947 1.00 0.00 C ATOM 524 O CYS A 34 -1.072 -2.442 1.042 1.00 0.00 O ATOM 525 CB CYS A 34 -3.873 -0.640 0.325 1.00 0.00 C ATOM 526 SG CYS A 34 -3.709 0.754 -0.827 1.00 0.00 S ATOM 0 H CYS A 34 -4.855 -2.689 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.262 -1.400 -0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.918 -0.940 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.548 -0.344 1.322 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.428 1.752 -0.406 1.00 0.00 H new ATOM 532 N VAL A 35 -3.037 -3.217 1.806 1.00 0.00 N ATOM 533 CA VAL A 35 -2.472 -3.825 3.000 1.00 0.00 C ATOM 534 C VAL A 35 -1.417 -4.889 2.680 1.00 0.00 C ATOM 535 O VAL A 35 -0.554 -5.107 3.524 1.00 0.00 O ATOM 536 CB VAL A 35 -3.605 -4.352 3.887 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.058 -5.060 5.137 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.514 -3.196 4.344 1.00 0.00 C ATOM 0 H VAL A 35 -4.039 -3.372 1.693 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.930 -3.060 3.556 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.173 -5.065 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.889 -5.421 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.436 -5.903 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.461 -4.359 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.313 -3.588 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.927 -2.474 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.946 -2.706 3.471 1.00 0.00 H new ATOM 548 N GLN A 36 -1.442 -5.536 1.511 1.00 0.00 N ATOM 549 CA GLN A 36 -0.389 -6.449 1.073 1.00 0.00 C ATOM 550 C GLN A 36 0.773 -5.668 0.455 1.00 0.00 C ATOM 551 O GLN A 36 1.937 -5.957 0.722 1.00 0.00 O ATOM 552 CB GLN A 36 -0.959 -7.506 0.103 1.00 0.00 C ATOM 553 CG GLN A 36 -1.430 -6.998 -1.279 1.00 0.00 C ATOM 554 CD GLN A 36 -0.587 -7.436 -2.478 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.717 -7.199 -2.449 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -1.120 -7.969 -3.449 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.202 -5.438 0.838 1.00 0.00 H new ATOM 0 HA GLN A 36 0.002 -6.982 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.196 -8.268 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.802 -7.996 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.454 -7.335 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.453 -5.909 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.125 -8.141 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.557 -8.239 -4.255 1.00 0.00 H new ATOM 565 N LEU A 37 0.473 -4.683 -0.395 1.00 0.00 N ATOM 566 CA LEU A 37 1.486 -4.055 -1.246 1.00 0.00 C ATOM 567 C LEU A 37 2.294 -3.013 -0.477 1.00 0.00 C ATOM 568 O LEU A 37 3.321 -2.550 -0.962 1.00 0.00 O ATOM 569 CB LEU A 37 0.843 -3.439 -2.476 1.00 0.00 C ATOM 570 CG LEU A 37 1.811 -3.029 -3.608 1.00 0.00 C ATOM 571 CD1 LEU A 37 2.957 -4.012 -3.872 1.00 0.00 C ATOM 572 CD2 LEU A 37 1.050 -2.961 -4.925 1.00 0.00 C ATOM 0 H LEU A 37 -0.466 -4.302 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 37 2.177 -4.833 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.122 -4.150 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.282 -2.557 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 37 2.228 -2.079 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.580 -3.635 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.560 -4.118 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.547 -4.983 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.732 -2.672 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.622 -3.938 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.251 -2.224 -4.846 1.00 0.00 H new ATOM 584 N HIS A 38 1.844 -2.637 0.719 1.00 0.00 N ATOM 585 CA HIS A 38 2.648 -1.869 1.651 1.00 0.00 C ATOM 586 C HIS A 38 3.920 -2.638 1.993 1.00 0.00 C ATOM 587 O HIS A 38 5.037 -2.151 1.841 1.00 0.00 O ATOM 588 CB HIS A 38 1.856 -1.608 2.938 1.00 0.00 C ATOM 589 CG HIS A 38 2.734 -1.215 4.103 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.222 -2.069 5.077 1.00 0.00 N ATOM 591 CD2 HIS A 38 3.313 0.013 4.296 1.00 0.00 C ATOM 592 CE1 HIS A 38 4.078 -1.365 5.837 1.00 0.00 C ATOM 593 NE2 HIS A 38 4.158 -0.104 5.399 1.00 0.00 N ATOM 0 H HIS A 38 0.910 -2.859 1.064 1.00 0.00 H new ATOM 0 HA HIS A 38 2.909 -0.918 1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.128 -0.817 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.294 -2.504 3.200 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.977 -3.052 5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.146 0.902 3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.623 -1.761 6.681 1.00 0.00 H new ATOM 601 N ASN A 39 3.736 -3.852 2.501 1.00 0.00 N ATOM 602 CA ASN A 39 4.825 -4.600 3.113 1.00 0.00 C ATOM 603 C ASN A 39 5.822 -4.954 2.028 1.00 0.00 C ATOM 604 O ASN A 39 7.023 -4.833 2.237 1.00 0.00 O ATOM 605 CB ASN A 39 4.337 -5.862 3.837 1.00 0.00 C ATOM 606 CG ASN A 39 2.931 -5.678 4.374 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.682 -5.067 5.409 1.00 0.00 O ATOM 608 ND2 ASN A 39 1.952 -6.050 3.572 1.00 0.00 N ATOM 0 H ASN A 39 2.840 -4.339 2.500 1.00 0.00 H new ATOM 0 HA ASN A 39 5.293 -3.978 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.359 -6.709 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.014 -6.098 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.985 -5.830 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.162 -6.558 2.713 1.00 0.00 H new ATOM 615 N ASP A 40 5.315 -5.268 0.834 1.00 0.00 N ATOM 616 CA ASP A 40 6.086 -5.568 -0.366 1.00 0.00 C ATOM 617 C ASP A 40 7.124 -4.493 -0.677 1.00 0.00 C ATOM 618 O ASP A 40 8.080 -4.806 -1.383 1.00 0.00 O ATOM 619 CB ASP A 40 5.147 -5.685 -1.582 1.00 0.00 C ATOM 620 CG ASP A 40 5.155 -7.049 -2.288 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.835 -8.078 -1.645 1.00 0.00 O ATOM 622 OD2 ASP A 40 5.410 -7.083 -3.517 1.00 0.00 O ATOM 0 H ASP A 40 4.309 -5.321 0.674 1.00 0.00 H new ATOM 0 HA ASP A 40 6.603 -6.508 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.129 -5.469 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.420 -4.918 -2.306 1.00 0.00 H new ATOM 627 N ILE A 41 6.932 -3.252 -0.202 1.00 0.00 N ATOM 628 CA ILE A 41 7.866 -2.145 -0.381 1.00 0.00 C ATOM 629 C ILE A 41 9.099 -2.448 0.475 1.00 0.00 C ATOM 630 O ILE A 41 10.202 -2.645 -0.036 1.00 0.00 O ATOM 631 CB ILE A 41 7.250 -0.768 0.018 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.909 -0.381 -0.658 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.278 0.357 -0.203 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.687 -0.878 -2.078 1.00 0.00 C ATOM 0 H ILE A 41 6.101 -2.991 0.329 1.00 0.00 H new ATOM 0 HA ILE A 41 8.125 -2.062 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 41 7.001 -0.891 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.095 -0.755 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.833 0.706 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.837 1.313 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.160 0.169 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.566 0.386 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.714 -0.540 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.468 -0.484 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.719 -1.967 -2.091 1.00 0.00 H new ATOM 646 N LEU A 42 8.906 -2.487 1.796 1.00 0.00 N ATOM 647 CA LEU A 42 9.965 -2.707 2.777 1.00 0.00 C ATOM 648 C LEU A 42 10.620 -4.071 2.519 1.00 0.00 C ATOM 649 O LEU A 42 11.824 -4.240 2.689 1.00 0.00 O ATOM 650 CB LEU A 42 9.376 -2.647 4.199 1.00 0.00 C ATOM 651 CG LEU A 42 8.661 -1.318 4.534 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.150 -1.346 5.974 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.563 -0.096 4.338 1.00 0.00 C ATOM 0 H LEU A 42 7.987 -2.363 2.220 1.00 0.00 H new ATOM 0 HA LEU A 42 10.723 -1.929 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.669 -3.468 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.178 -2.806 4.919 1.00 0.00 H new ATOM 0 HG LEU A 42 7.827 -1.225 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.648 -0.405 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.447 -2.171 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.990 -1.482 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.009 0.809 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.434 -0.179 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.888 -0.047 3.299 1.00 0.00 H new ATOM 665 N LEU A 43 9.830 -5.050 2.061 1.00 0.00 N ATOM 666 CA LEU A 43 10.234 -6.431 1.810 1.00 0.00 C ATOM 667 C LEU A 43 10.809 -6.606 0.400 1.00 0.00 C ATOM 668 O LEU A 43 11.164 -7.733 0.052 1.00 0.00 O ATOM 669 CB LEU A 43 9.031 -7.387 2.021 1.00 0.00 C ATOM 670 CG LEU A 43 8.806 -7.849 3.476 1.00 0.00 C ATOM 671 CD1 LEU A 43 8.654 -6.706 4.486 1.00 0.00 C ATOM 672 CD2 LEU A 43 7.561 -8.744 3.527 1.00 0.00 C ATOM 0 H LEU A 43 8.846 -4.889 1.847 1.00 0.00 H new ATOM 0 HA LEU A 43 11.021 -6.681 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.127 -6.890 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.173 -8.268 1.395 1.00 0.00 H new ATOM 0 HG LEU A 43 9.704 -8.391 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.500 -7.119 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.557 -6.095 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.798 -6.090 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.393 -9.076 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.694 -8.181 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.710 -9.612 2.884 1.00 0.00 H new ATOM 684 N ALA A 44 10.871 -5.553 -0.419 1.00 0.00 N ATOM 685 CA ALA A 44 11.271 -5.622 -1.823 1.00 0.00 C ATOM 686 C ALA A 44 12.694 -6.154 -2.004 1.00 0.00 C ATOM 687 O ALA A 44 13.459 -6.310 -1.048 1.00 0.00 O ATOM 688 CB ALA A 44 11.157 -4.246 -2.478 1.00 0.00 C ATOM 0 H ALA A 44 10.639 -4.607 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 44 10.591 -6.323 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.458 -4.314 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.125 -3.900 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.806 -3.541 -1.959 1.00 0.00 H new ATOM 694 N LYS A 45 13.072 -6.431 -3.255 1.00 0.00 N ATOM 695 CA LYS A 45 14.450 -6.795 -3.559 1.00 0.00 C ATOM 696 C LYS A 45 15.385 -5.640 -3.215 1.00 0.00 C ATOM 697 O LYS A 45 16.322 -5.860 -2.451 1.00 0.00 O ATOM 698 CB LYS A 45 14.612 -7.164 -5.038 1.00 0.00 C ATOM 699 CG LYS A 45 14.091 -8.542 -5.418 1.00 0.00 C ATOM 700 CD LYS A 45 15.036 -9.650 -4.937 1.00 0.00 C ATOM 701 CE LYS A 45 14.938 -10.859 -5.858 1.00 0.00 C ATOM 702 NZ LYS A 45 15.927 -10.828 -6.955 1.00 0.00 N ATOM 0 H LYS A 45 12.448 -6.410 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 45 14.708 -7.666 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.096 -6.418 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.669 -7.108 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.102 -8.691 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.977 -8.604 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.061 -9.281 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.781 -9.939 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.080 -11.768 -5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.935 -10.906 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.814 -11.674 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.777 -9.977 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.887 -10.811 -6.556 1.00 0.00 H new ATOM 716 N ASP A 46 15.155 -4.457 -3.794 1.00 0.00 N ATOM 717 CA ASP A 46 16.134 -3.369 -3.855 1.00 0.00 C ATOM 718 C ASP A 46 15.482 -2.035 -3.534 1.00 0.00 C ATOM 719 O ASP A 46 14.264 -1.945 -3.383 1.00 0.00 O ATOM 720 CB ASP A 46 16.753 -3.228 -5.258 1.00 0.00 C ATOM 721 CG ASP A 46 17.446 -4.491 -5.753 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.634 -4.648 -5.396 1.00 0.00 O ATOM 723 OD2 ASP A 46 16.826 -5.343 -6.425 1.00 0.00 O ATOM 0 H ASP A 46 14.268 -4.226 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 46 16.904 -3.620 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.970 -2.954 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.473 -2.410 -5.247 1.00 0.00 H new ATOM 728 N THR A 47 16.294 -0.981 -3.526 1.00 0.00 N ATOM 729 CA THR A 47 15.876 0.390 -3.377 1.00 0.00 C ATOM 730 C THR A 47 14.841 0.775 -4.430 1.00 0.00 C ATOM 731 O THR A 47 13.730 1.192 -4.080 1.00 0.00 O ATOM 732 CB THR A 47 17.124 1.278 -3.498 1.00 0.00 C ATOM 733 OG1 THR A 47 18.093 0.891 -2.545 1.00 0.00 O ATOM 734 CG2 THR A 47 16.689 2.713 -3.244 1.00 0.00 C ATOM 0 H THR A 47 17.304 -1.075 -3.629 1.00 0.00 H new ATOM 0 HA THR A 47 15.403 0.525 -2.404 1.00 0.00 H new ATOM 0 HB THR A 47 17.568 1.179 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.884 1.462 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.552 3.374 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.942 3.003 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.261 2.792 -2.245 1.00 0.00 H new ATOM 742 N THR A 48 15.232 0.713 -5.707 1.00 0.00 N ATOM 743 CA THR A 48 14.400 1.230 -6.779 1.00 0.00 C ATOM 744 C THR A 48 13.134 0.383 -6.829 1.00 0.00 C ATOM 745 O THR A 48 12.023 0.901 -6.784 1.00 0.00 O ATOM 746 CB THR A 48 15.213 1.314 -8.092 1.00 0.00 C ATOM 747 OG1 THR A 48 14.671 2.299 -8.940 1.00 0.00 O ATOM 748 CG2 THR A 48 15.348 0.013 -8.889 1.00 0.00 C ATOM 0 H THR A 48 16.117 0.310 -6.015 1.00 0.00 H new ATOM 0 HA THR A 48 14.079 2.257 -6.607 1.00 0.00 H new ATOM 0 HB THR A 48 16.220 1.564 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.195 2.344 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.938 0.196 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.845 -0.739 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.358 -0.345 -9.171 1.00 0.00 H new ATOM 756 N GLU A 49 13.325 -0.931 -6.771 1.00 0.00 N ATOM 757 CA GLU A 49 12.316 -1.957 -6.880 1.00 0.00 C ATOM 758 C GLU A 49 11.312 -1.905 -5.721 1.00 0.00 C ATOM 759 O GLU A 49 10.195 -2.402 -5.863 1.00 0.00 O ATOM 760 CB GLU A 49 13.091 -3.290 -6.899 1.00 0.00 C ATOM 761 CG GLU A 49 12.320 -4.448 -7.525 1.00 0.00 C ATOM 762 CD GLU A 49 12.077 -4.284 -9.023 1.00 0.00 C ATOM 763 OE1 GLU A 49 13.008 -3.882 -9.760 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.966 -4.657 -9.454 1.00 0.00 O ATOM 0 H GLU A 49 14.256 -1.325 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 49 11.715 -1.826 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.023 -3.149 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.360 -3.557 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.870 -5.374 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.360 -4.550 -7.019 1.00 0.00 H new ATOM 771 N ALA A 50 11.675 -1.283 -4.591 1.00 0.00 N ATOM 772 CA ALA A 50 10.739 -0.992 -3.523 1.00 0.00 C ATOM 773 C ALA A 50 9.716 0.034 -3.980 1.00 0.00 C ATOM 774 O ALA A 50 8.524 -0.185 -3.813 1.00 0.00 O ATOM 775 CB ALA A 50 11.469 -0.505 -2.268 1.00 0.00 C ATOM 0 H ALA A 50 12.628 -0.972 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 50 10.216 -1.914 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.742 -0.294 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.159 -1.276 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.026 0.403 -2.500 1.00 0.00 H new ATOM 781 N PHE A 51 10.139 1.179 -4.516 1.00 0.00 N ATOM 782 CA PHE A 51 9.184 2.227 -4.852 1.00 0.00 C ATOM 783 C PHE A 51 8.570 2.007 -6.237 1.00 0.00 C ATOM 784 O PHE A 51 7.419 2.379 -6.452 1.00 0.00 O ATOM 785 CB PHE A 51 9.761 3.626 -4.589 1.00 0.00 C ATOM 786 CG PHE A 51 10.513 4.268 -5.725 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.883 4.010 -5.920 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.829 5.159 -6.571 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.557 4.638 -6.979 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.510 5.795 -7.618 1.00 0.00 C ATOM 791 CZ PHE A 51 11.876 5.537 -7.818 1.00 0.00 C ATOM 0 H PHE A 51 11.113 1.399 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 51 8.334 2.162 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.940 4.286 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.429 3.563 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.410 3.336 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.778 5.353 -6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.603 4.430 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.987 6.480 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.405 6.031 -8.619 1.00 0.00 H new ATOM 801 N GLU A 52 9.250 1.288 -7.128 1.00 0.00 N ATOM 802 CA GLU A 52 8.777 0.970 -8.475 1.00 0.00 C ATOM 803 C GLU A 52 7.476 0.155 -8.490 1.00 0.00 C ATOM 804 O GLU A 52 6.725 0.193 -9.464 1.00 0.00 O ATOM 805 CB GLU A 52 9.918 0.326 -9.267 1.00 0.00 C ATOM 806 CG GLU A 52 10.835 1.438 -9.816 1.00 0.00 C ATOM 807 CD GLU A 52 10.402 1.891 -11.217 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.193 2.045 -11.501 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.316 2.079 -12.051 1.00 0.00 O ATOM 0 H GLU A 52 10.171 0.899 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 52 8.497 1.898 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.486 -0.350 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.518 -0.271 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.820 2.291 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.863 1.077 -9.852 1.00 0.00 H new ATOM 816 N LYS A 53 7.123 -0.494 -7.376 1.00 0.00 N ATOM 817 CA LYS A 53 5.803 -1.105 -7.198 1.00 0.00 C ATOM 818 C LYS A 53 4.803 -0.144 -6.536 1.00 0.00 C ATOM 819 O LYS A 53 3.618 -0.188 -6.863 1.00 0.00 O ATOM 820 CB LYS A 53 5.955 -2.443 -6.453 1.00 0.00 C ATOM 821 CG LYS A 53 6.748 -2.315 -5.158 1.00 0.00 C ATOM 822 CD LYS A 53 6.714 -3.556 -4.285 1.00 0.00 C ATOM 823 CE LYS A 53 7.669 -4.658 -4.731 1.00 0.00 C ATOM 824 NZ LYS A 53 6.964 -5.745 -5.436 1.00 0.00 N ATOM 0 H LYS A 53 7.743 -0.610 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 53 5.373 -1.318 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.966 -2.843 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.449 -3.162 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.785 -2.083 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.358 -1.472 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.956 -3.273 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.699 -3.952 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.431 -4.235 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.186 -5.064 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.650 -6.466 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.266 -6.177 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.478 -5.359 -6.271 1.00 0.00 H new ATOM 838 N MET A 54 5.229 0.742 -5.623 1.00 0.00 N ATOM 839 CA MET A 54 4.302 1.603 -4.878 1.00 0.00 C ATOM 840 C MET A 54 3.634 2.647 -5.769 1.00 0.00 C ATOM 841 O MET A 54 2.495 3.063 -5.521 1.00 0.00 O ATOM 842 CB MET A 54 4.976 2.286 -3.678 1.00 0.00 C ATOM 843 CG MET A 54 5.768 3.585 -3.919 1.00 0.00 C ATOM 844 SD MET A 54 6.257 4.447 -2.405 1.00 0.00 S ATOM 845 CE MET A 54 7.475 3.281 -1.780 1.00 0.00 C ATOM 0 H MET A 54 6.211 0.880 -5.384 1.00 0.00 H new ATOM 0 HA MET A 54 3.526 0.938 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.202 2.502 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.655 1.564 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.663 3.350 -4.495 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.164 4.258 -4.528 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.690 3.505 -0.735 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.083 2.267 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.391 3.364 -2.365 1.00 0.00 H new ATOM 855 N VAL A 55 4.348 3.087 -6.796 1.00 0.00 N ATOM 856 CA VAL A 55 3.899 4.054 -7.783 1.00 0.00 C ATOM 857 C VAL A 55 2.758 3.471 -8.627 1.00 0.00 C ATOM 858 O VAL A 55 1.807 4.153 -9.015 1.00 0.00 O ATOM 859 CB VAL A 55 5.119 4.459 -8.627 1.00 0.00 C ATOM 860 CG1 VAL A 55 6.143 5.202 -7.746 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.798 3.267 -9.308 1.00 0.00 C ATOM 0 H VAL A 55 5.300 2.763 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 55 3.491 4.945 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 55 4.752 5.114 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.005 5.486 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.682 6.097 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.467 4.549 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.651 3.617 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.139 2.561 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.087 2.773 -9.970 1.00 0.00 H new ATOM 871 N SER A 56 2.783 2.163 -8.847 1.00 0.00 N ATOM 872 CA SER A 56 1.767 1.446 -9.592 1.00 0.00 C ATOM 873 C SER A 56 0.590 1.038 -8.695 1.00 0.00 C ATOM 874 O SER A 56 -0.417 0.545 -9.207 1.00 0.00 O ATOM 875 CB SER A 56 2.486 0.320 -10.317 1.00 0.00 C ATOM 876 OG SER A 56 3.315 0.950 -11.278 1.00 0.00 O ATOM 0 H SER A 56 3.530 1.560 -8.502 1.00 0.00 H new ATOM 0 HA SER A 56 1.275 2.065 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.076 -0.278 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.775 -0.354 -10.795 1.00 0.00 H new ATOM 0 HG SER A 56 3.810 0.269 -11.780 1.00 0.00 H new ATOM 882 N LEU A 57 0.635 1.410 -7.408 1.00 0.00 N ATOM 883 CA LEU A 57 -0.476 1.374 -6.463 1.00 0.00 C ATOM 884 C LEU A 57 -1.180 2.746 -6.336 1.00 0.00 C ATOM 885 O LEU A 57 -2.406 2.828 -6.382 1.00 0.00 O ATOM 886 CB LEU A 57 0.059 0.785 -5.140 1.00 0.00 C ATOM 887 CG LEU A 57 -0.864 0.956 -3.923 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.837 -0.261 -3.005 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.475 2.186 -3.098 1.00 0.00 C ATOM 0 H LEU A 57 1.493 1.761 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.276 0.725 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.248 -0.279 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.018 1.251 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.870 1.078 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.504 -0.094 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.165 -1.141 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.178 -0.419 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.147 2.279 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.550 2.077 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.551 3.079 -3.718 1.00 0.00 H new ATOM 901 N LEU A 58 -0.464 3.860 -6.195 1.00 0.00 N ATOM 902 CA LEU A 58 -1.065 5.149 -5.793 1.00 0.00 C ATOM 903 C LEU A 58 -1.932 5.864 -6.822 1.00 0.00 C ATOM 904 O LEU A 58 -2.491 6.901 -6.480 1.00 0.00 O ATOM 905 CB LEU A 58 0.035 6.143 -5.404 1.00 0.00 C ATOM 906 CG LEU A 58 1.110 6.368 -6.488 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.687 6.786 -7.896 1.00 0.00 C ATOM 908 CD2 LEU A 58 2.122 7.394 -5.998 1.00 0.00 C ATOM 0 H LEU A 58 0.543 3.904 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.722 4.859 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.427 7.101 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.522 5.788 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 58 1.499 5.358 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.571 6.898 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.035 6.023 -8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.153 7.735 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.881 7.552 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.614 8.336 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.597 7.030 -5.087 1.00 0.00 H new ATOM 920 N SER A 59 -2.156 5.300 -8.000 1.00 0.00 N ATOM 921 CA SER A 59 -3.082 5.816 -8.997 1.00 0.00 C ATOM 922 C SER A 59 -4.260 4.840 -9.206 1.00 0.00 C ATOM 923 O SER A 59 -5.390 5.276 -9.446 1.00 0.00 O ATOM 924 CB SER A 59 -2.322 6.150 -10.293 1.00 0.00 C ATOM 925 OG SER A 59 -3.139 6.798 -11.250 1.00 0.00 O ATOM 0 H SER A 59 -1.684 4.446 -8.297 1.00 0.00 H new ATOM 0 HA SER A 59 -3.526 6.747 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.470 6.787 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.923 5.231 -10.723 1.00 0.00 H new ATOM 0 HG SER A 59 -2.612 6.991 -12.053 1.00 0.00 H new ATOM 931 N VAL A 60 -4.027 3.527 -9.098 1.00 0.00 N ATOM 932 CA VAL A 60 -5.019 2.503 -9.424 1.00 0.00 C ATOM 933 C VAL A 60 -6.184 2.456 -8.418 1.00 0.00 C ATOM 934 O VAL A 60 -7.309 2.132 -8.809 1.00 0.00 O ATOM 935 CB VAL A 60 -4.307 1.145 -9.616 1.00 0.00 C ATOM 936 CG1 VAL A 60 -3.568 0.635 -8.381 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.268 0.073 -10.113 1.00 0.00 C ATOM 0 H VAL A 60 -3.137 3.145 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.499 2.765 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.549 1.344 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.099 -0.322 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.802 1.355 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.275 0.508 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.731 -0.868 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.071 -0.060 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.690 0.378 -11.071 1.00 0.00 H new ATOM 947 N LEU A 61 -5.960 2.797 -7.143 1.00 0.00 N ATOM 948 CA LEU A 61 -7.033 2.983 -6.162 1.00 0.00 C ATOM 949 C LEU A 61 -7.794 4.252 -6.506 1.00 0.00 C ATOM 950 O LEU A 61 -9.020 4.253 -6.518 1.00 0.00 O ATOM 951 CB LEU A 61 -6.536 3.112 -4.703 1.00 0.00 C ATOM 952 CG LEU A 61 -5.846 1.925 -4.038 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.520 0.589 -4.366 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.386 1.833 -4.382 1.00 0.00 C ATOM 0 H LEU A 61 -5.026 2.952 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.656 2.090 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.845 3.954 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.395 3.378 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.942 2.114 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.987 -0.220 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.554 0.609 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.499 0.426 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.948 0.970 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.273 1.722 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.877 2.740 -4.055 1.00 0.00 H new ATOM 966 N LEU A 62 -7.083 5.347 -6.793 1.00 0.00 N ATOM 967 CA LEU A 62 -7.715 6.640 -7.039 1.00 0.00 C ATOM 968 C LEU A 62 -8.697 6.574 -8.192 1.00 0.00 C ATOM 969 O LEU A 62 -9.772 7.156 -8.114 1.00 0.00 O ATOM 970 CB LEU A 62 -6.692 7.715 -7.387 1.00 0.00 C ATOM 971 CG LEU A 62 -5.586 7.970 -6.366 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.005 9.369 -6.580 1.00 0.00 C ATOM 973 CD2 LEU A 62 -5.990 7.737 -4.901 1.00 0.00 C ATOM 0 H LEU A 62 -6.065 5.360 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.230 6.893 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.224 7.445 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.226 8.651 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.819 7.217 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.215 9.551 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.593 9.442 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.792 10.113 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.139 7.943 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.814 8.401 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.303 6.701 -4.770 1.00 0.00 H new ATOM 985 N SER A 63 -8.349 5.814 -9.220 1.00 0.00 N ATOM 986 CA SER A 63 -9.154 5.564 -10.394 1.00 0.00 C ATOM 987 C SER A 63 -10.449 4.813 -10.056 1.00 0.00 C ATOM 988 O SER A 63 -11.269 4.599 -10.953 1.00 0.00 O ATOM 989 CB SER A 63 -8.242 4.765 -11.320 1.00 0.00 C ATOM 990 OG SER A 63 -8.864 4.287 -12.490 1.00 0.00 O ATOM 0 H SER A 63 -7.450 5.333 -9.254 1.00 0.00 H new ATOM 0 HA SER A 63 -9.496 6.487 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.397 5.392 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.838 3.917 -10.767 1.00 0.00 H new ATOM 0 HG SER A 63 -9.835 4.271 -12.361 1.00 0.00 H new ATOM 996 N MET A 64 -10.641 4.392 -8.803 1.00 0.00 N ATOM 997 CA MET A 64 -11.848 3.753 -8.327 1.00 0.00 C ATOM 998 C MET A 64 -12.448 4.445 -7.091 1.00 0.00 C ATOM 999 O MET A 64 -13.500 3.996 -6.624 1.00 0.00 O ATOM 1000 CB MET A 64 -11.593 2.242 -8.143 1.00 0.00 C ATOM 1001 CG MET A 64 -11.145 1.814 -6.739 1.00 0.00 C ATOM 1002 SD MET A 64 -12.434 0.964 -5.793 1.00 0.00 S ATOM 1003 CE MET A 64 -11.767 1.359 -4.171 1.00 0.00 C ATOM 0 H MET A 64 -9.932 4.495 -8.077 1.00 0.00 H new ATOM 0 HA MET A 64 -12.625 3.864 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.507 1.704 -8.394 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.833 1.930 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.279 1.158 -6.828 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.822 2.696 -6.186 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.170 0.666 -3.433 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.681 1.273 -4.194 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.045 2.378 -3.901 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.816 5.488 -6.525 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.335 6.135 -5.314 1.00 0.00 C ATOM 1015 C GLN A 65 -11.953 7.601 -5.085 1.00 0.00 C ATOM 1016 O GLN A 65 -12.605 8.245 -4.267 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.944 5.276 -4.106 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.493 5.412 -3.616 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.044 4.137 -2.910 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.176 3.976 -1.609 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.574 3.209 -3.539 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.953 5.896 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.414 6.191 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.609 5.525 -3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.124 4.231 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.836 5.617 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.411 6.259 -2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.453 3.287 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.301 2.352 -3.057 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.936 8.141 -5.764 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.463 9.516 -5.610 1.00 0.00 C ATOM 1032 C GLY A 66 -10.176 9.897 -4.157 1.00 0.00 C ATOM 1033 O GLY A 66 -10.800 10.809 -3.618 1.00 0.00 O ATOM 0 H GLY A 66 -10.404 7.615 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.556 9.649 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.210 10.198 -6.016 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.257 9.176 -3.510 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.835 9.444 -2.136 1.00 0.00 C ATOM 1039 C ALA A 67 -8.047 10.764 -2.031 1.00 0.00 C ATOM 1040 O ALA A 67 -7.763 11.387 -3.059 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.977 8.270 -1.652 1.00 0.00 C ATOM 0 H ALA A 67 -8.780 8.380 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.720 9.549 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.653 8.454 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.563 7.352 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.103 8.168 -2.296 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.625 11.153 -0.813 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.697 12.286 -0.642 1.00 0.00 C ATOM 1049 C VAL A 68 -5.334 11.840 -0.109 1.00 0.00 C ATOM 1050 O VAL A 68 -4.345 11.970 -0.830 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.326 13.461 0.137 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.216 14.291 -0.801 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -8.130 13.036 1.368 1.00 0.00 C ATOM 0 H VAL A 68 -7.908 10.705 0.058 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.500 12.689 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.493 14.057 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.657 15.119 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.614 14.684 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.009 13.660 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.538 13.920 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.946 12.382 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.479 12.504 2.062 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.270 11.270 1.098 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.084 10.887 1.894 1.00 0.00 C ATOM 1065 C ASP A 69 -3.253 9.744 1.291 1.00 0.00 C ATOM 1066 O ASP A 69 -2.444 9.130 1.980 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.525 10.659 3.351 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.001 11.970 3.983 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.228 12.963 4.045 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.197 12.027 4.316 1.00 0.00 O ATOM 0 H ASP A 69 -6.129 11.040 1.598 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.371 11.711 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.327 9.922 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.695 10.251 3.928 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.372 9.483 -0.012 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.672 8.396 -0.691 1.00 0.00 C ATOM 1077 C ILE A 70 -1.180 8.674 -0.765 1.00 0.00 C ATOM 1078 O ILE A 70 -0.409 7.738 -0.927 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.267 8.151 -2.096 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.862 6.806 -2.751 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.901 9.287 -3.070 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.406 5.557 -2.048 1.00 0.00 C ATOM 0 H ILE A 70 -3.967 10.031 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.811 7.486 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.342 8.117 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.208 6.803 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.774 6.745 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.336 9.082 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.291 10.231 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.817 9.353 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.070 4.666 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.040 5.528 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.496 5.588 -2.043 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.756 9.938 -0.684 1.00 0.00 N ATOM 1095 CA ASN A 71 0.659 10.285 -0.773 1.00 0.00 C ATOM 1096 C ASN A 71 1.308 10.078 0.588 1.00 0.00 C ATOM 1097 O ASN A 71 2.515 9.909 0.656 1.00 0.00 O ATOM 1098 CB ASN A 71 0.828 11.754 -1.185 1.00 0.00 C ATOM 1099 CG ASN A 71 0.422 12.094 -2.607 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.252 12.433 -3.448 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.860 12.023 -2.928 1.00 0.00 N ATOM 0 H ASN A 71 -1.376 10.737 -0.557 1.00 0.00 H new ATOM 0 HA ASN A 71 1.131 9.649 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.244 12.372 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.873 12.031 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.162 12.250 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.546 11.741 -2.228 1.00 0.00 H new ATOM 1108 N ARG A 72 0.544 10.007 1.687 1.00 0.00 N ATOM 1109 CA ARG A 72 1.146 9.754 3.004 1.00 0.00 C ATOM 1110 C ARG A 72 1.902 8.432 3.007 1.00 0.00 C ATOM 1111 O ARG A 72 2.884 8.304 3.730 1.00 0.00 O ATOM 1112 CB ARG A 72 0.087 9.804 4.122 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.169 11.226 4.619 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.245 11.931 3.791 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.026 13.382 3.695 1.00 0.00 N ATOM 1116 CZ ARG A 72 -0.047 13.933 2.966 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.761 13.135 2.291 1.00 0.00 N ATOM 1118 NH2 ARG A 72 0.123 15.245 2.890 1.00 0.00 N ATOM 0 H ARG A 72 -0.470 10.118 1.693 1.00 0.00 H new ATOM 0 HA ARG A 72 1.865 10.548 3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.846 9.377 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.414 9.184 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.476 11.196 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.757 11.799 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.265 11.503 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.222 11.744 4.237 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.652 14.001 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.631 12.124 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.515 13.530 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.503 15.871 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.880 15.629 2.325 1.00 0.00 H new ATOM 1132 N LEU A 73 1.439 7.484 2.181 1.00 0.00 N ATOM 1133 CA LEU A 73 2.108 6.213 1.897 1.00 0.00 C ATOM 1134 C LEU A 73 3.532 6.453 1.457 1.00 0.00 C ATOM 1135 O LEU A 73 4.463 5.854 1.990 1.00 0.00 O ATOM 1136 CB LEU A 73 1.432 5.461 0.729 1.00 0.00 C ATOM 1137 CG LEU A 73 0.501 4.376 1.202 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -0.889 4.948 1.483 1.00 0.00 C ATOM 1139 CD2 LEU A 73 0.321 3.253 0.176 1.00 0.00 C ATOM 0 H LEU A 73 0.558 7.587 1.677 1.00 0.00 H new ATOM 0 HA LEU A 73 2.055 5.631 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.876 6.171 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.199 5.024 0.090 1.00 0.00 H new ATOM 0 HG LEU A 73 0.961 3.969 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.549 4.150 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.818 5.714 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.293 5.388 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.361 2.502 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.091 3.665 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.287 2.793 -0.033 1.00 0.00 H new ATOM 1151 N CYS A 74 3.664 7.244 0.389 1.00 0.00 N ATOM 1152 CA CYS A 74 4.965 7.501 -0.187 1.00 0.00 C ATOM 1153 C CYS A 74 5.896 7.983 0.886 1.00 0.00 C ATOM 1154 O CYS A 74 6.982 7.444 1.048 1.00 0.00 O ATOM 1155 CB CYS A 74 4.956 8.456 -1.390 1.00 0.00 C ATOM 1156 SG CYS A 74 4.950 10.247 -1.167 1.00 0.00 S ATOM 0 H CYS A 74 2.888 7.708 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 74 5.318 6.554 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.831 8.214 -1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.078 8.207 -1.986 1.00 0.00 H new ATOM 0 HG CYS A 74 3.985 10.581 -0.363 1.00 0.00 H new ATOM 1162 N GLU A 75 5.442 8.956 1.665 1.00 0.00 N ATOM 1163 CA GLU A 75 6.344 9.558 2.606 1.00 0.00 C ATOM 1164 C GLU A 75 6.532 8.686 3.865 1.00 0.00 C ATOM 1165 O GLU A 75 7.173 9.114 4.820 1.00 0.00 O ATOM 1166 CB GLU A 75 5.952 11.008 2.909 1.00 0.00 C ATOM 1167 CG GLU A 75 6.138 11.872 1.661 1.00 0.00 C ATOM 1168 CD GLU A 75 6.158 13.370 1.969 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.299 13.842 2.759 1.00 0.00 O ATOM 1170 OE2 GLU A 75 6.913 14.112 1.315 1.00 0.00 O ATOM 0 H GLU A 75 4.491 9.326 1.659 1.00 0.00 H new ATOM 0 HA GLU A 75 7.329 9.607 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.914 11.051 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.563 11.396 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.071 11.595 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.333 11.662 0.957 1.00 0.00 H new ATOM 1177 N GLU A 76 5.961 7.475 3.895 1.00 0.00 N ATOM 1178 CA GLU A 76 6.024 6.531 5.004 1.00 0.00 C ATOM 1179 C GLU A 76 6.938 5.369 4.617 1.00 0.00 C ATOM 1180 O GLU A 76 8.136 5.431 4.893 1.00 0.00 O ATOM 1181 CB GLU A 76 4.591 6.101 5.376 1.00 0.00 C ATOM 1182 CG GLU A 76 4.495 5.059 6.509 1.00 0.00 C ATOM 1183 CD GLU A 76 3.993 3.667 6.100 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.805 3.422 4.888 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.728 2.882 7.041 1.00 0.00 O ATOM 0 H GLU A 76 5.420 7.116 3.109 1.00 0.00 H new ATOM 0 HA GLU A 76 6.457 6.983 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.027 6.986 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.108 5.695 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.481 4.950 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.832 5.450 7.281 1.00 0.00 H new ATOM 1192 N MET A 77 6.436 4.335 3.939 1.00 0.00 N ATOM 1193 CA MET A 77 7.188 3.123 3.601 1.00 0.00 C ATOM 1194 C MET A 77 8.432 3.398 2.736 1.00 0.00 C ATOM 1195 O MET A 77 9.390 2.626 2.772 1.00 0.00 O ATOM 1196 CB MET A 77 6.238 2.106 2.948 1.00 0.00 C ATOM 1197 CG MET A 77 5.631 2.662 1.658 1.00 0.00 C ATOM 1198 SD MET A 77 4.045 1.988 1.118 1.00 0.00 S ATOM 1199 CE MET A 77 3.974 3.054 -0.328 1.00 0.00 C ATOM 0 H MET A 77 5.474 4.316 3.602 1.00 0.00 H new ATOM 0 HA MET A 77 7.583 2.702 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.780 1.186 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.441 1.849 3.646 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.514 3.739 1.779 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.352 2.508 0.855 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.026 2.904 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.057 4.095 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.796 2.810 -1.001 1.00 0.00 H new ATOM 1209 N LEU A 78 8.467 4.494 1.968 1.00 0.00 N ATOM 1210 CA LEU A 78 9.633 4.877 1.184 1.00 0.00 C ATOM 1211 C LEU A 78 10.699 5.456 2.120 1.00 0.00 C ATOM 1212 O LEU A 78 11.854 5.044 2.067 1.00 0.00 O ATOM 1213 CB LEU A 78 9.190 5.884 0.113 1.00 0.00 C ATOM 1214 CG LEU A 78 9.874 5.816 -1.250 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.254 6.872 -2.172 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.370 6.024 -1.151 1.00 0.00 C ATOM 0 H LEU A 78 7.681 5.138 1.877 1.00 0.00 H new ATOM 0 HA LEU A 78 10.072 4.016 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.118 5.759 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.339 6.887 0.513 1.00 0.00 H new ATOM 0 HG LEU A 78 9.718 4.818 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.737 6.831 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.188 6.675 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.396 7.862 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.812 5.967 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.573 7.004 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.804 5.251 -0.516 1.00 0.00 H new ATOM 1228 N ASP A 79 10.312 6.355 3.026 1.00 0.00 N ATOM 1229 CA ASP A 79 11.202 6.926 4.043 1.00 0.00 C ATOM 1230 C ASP A 79 11.736 5.815 4.959 1.00 0.00 C ATOM 1231 O ASP A 79 12.913 5.794 5.319 1.00 0.00 O ATOM 1232 CB ASP A 79 10.441 8.011 4.834 1.00 0.00 C ATOM 1233 CG ASP A 79 11.299 9.206 5.278 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.096 9.733 4.472 1.00 0.00 O ATOM 1235 OD2 ASP A 79 11.032 9.757 6.372 1.00 0.00 O ATOM 0 H ASP A 79 9.358 6.713 3.076 1.00 0.00 H new ATOM 0 HA ASP A 79 12.063 7.395 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.620 8.380 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.997 7.552 5.718 1.00 0.00 H new ATOM 1240 N ASN A 80 10.875 4.836 5.260 1.00 0.00 N ATOM 1241 CA ASN A 80 11.136 3.707 6.154 1.00 0.00 C ATOM 1242 C ASN A 80 11.984 2.618 5.516 1.00 0.00 C ATOM 1243 O ASN A 80 12.544 1.824 6.268 1.00 0.00 O ATOM 1244 CB ASN A 80 9.842 3.026 6.627 1.00 0.00 C ATOM 1245 CG ASN A 80 9.212 3.722 7.826 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.391 3.303 8.960 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.478 4.798 7.606 1.00 0.00 N ATOM 0 H ASN A 80 9.934 4.810 4.867 1.00 0.00 H new ATOM 0 HA ASN A 80 11.671 4.156 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.126 3.008 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.056 1.989 6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.051 5.293 8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.339 5.134 6.653 1.00 0.00 H new ATOM 1254 N ARG A 81 12.095 2.497 4.184 1.00 0.00 N ATOM 1255 CA ARG A 81 13.141 1.631 3.642 1.00 0.00 C ATOM 1256 C ARG A 81 14.451 2.408 3.597 1.00 0.00 C ATOM 1257 O ARG A 81 15.505 1.859 3.905 1.00 0.00 O ATOM 1258 CB ARG A 81 12.730 0.992 2.319 1.00 0.00 C ATOM 1259 CG ARG A 81 12.683 1.947 1.129 1.00 0.00 C ATOM 1260 CD ARG A 81 13.820 1.701 0.134 1.00 0.00 C ATOM 1261 NE ARG A 81 14.416 2.957 -0.352 1.00 0.00 N ATOM 1262 CZ ARG A 81 13.909 3.788 -1.266 1.00 0.00 C ATOM 1263 NH1 ARG A 81 12.935 3.396 -2.085 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.400 5.016 -1.341 1.00 0.00 N ATOM 0 H ARG A 81 11.504 2.964 3.496 1.00 0.00 H new ATOM 0 HA ARG A 81 13.297 0.776 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.426 0.185 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.746 0.539 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.727 1.838 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.736 2.974 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.591 1.095 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.442 1.129 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 81 15.314 3.221 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.565 2.448 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.559 4.044 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.147 5.306 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.031 5.672 -2.030 1.00 0.00 H new ATOM 1278 N ALA A 82 14.380 3.705 3.282 1.00 0.00 N ATOM 1279 CA ALA A 82 15.521 4.578 3.064 1.00 0.00 C ATOM 1280 C ALA A 82 16.301 4.920 4.337 1.00 0.00 C ATOM 1281 O ALA A 82 17.318 5.605 4.251 1.00 0.00 O ATOM 1282 CB ALA A 82 15.040 5.838 2.341 1.00 0.00 C ATOM 0 H ALA A 82 13.488 4.187 3.169 1.00 0.00 H new ATOM 0 HA ALA A 82 16.238 4.037 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.885 6.504 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.596 5.562 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.295 6.347 2.953 1.00 0.00 H new ATOM 1288 N THR A 83 15.869 4.432 5.499 1.00 0.00 N ATOM 1289 CA THR A 83 16.549 4.673 6.759 1.00 0.00 C ATOM 1290 C THR A 83 17.489 3.503 7.133 1.00 0.00 C ATOM 1291 O THR A 83 18.427 3.687 7.918 1.00 0.00 O ATOM 1292 CB THR A 83 15.476 5.076 7.784 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.043 5.719 8.911 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.618 3.887 8.204 1.00 0.00 C ATOM 0 H THR A 83 15.032 3.856 5.587 1.00 0.00 H new ATOM 0 HA THR A 83 17.252 5.504 6.708 1.00 0.00 H new ATOM 0 HB THR A 83 14.822 5.794 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.333 5.962 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.872 4.214 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.116 3.473 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.251 3.123 8.655 1.00 0.00 H new ATOM 1302 N LEU A 84 17.305 2.296 6.589 1.00 0.00 N ATOM 1303 CA LEU A 84 18.082 1.094 6.912 1.00 0.00 C ATOM 1304 C LEU A 84 19.456 1.016 6.251 1.00 0.00 C ATOM 1305 O LEU A 84 20.222 0.076 6.485 1.00 0.00 O ATOM 1306 CB LEU A 84 17.272 -0.136 6.469 1.00 0.00 C ATOM 1307 CG LEU A 84 16.126 -0.519 7.420 1.00 0.00 C ATOM 1308 CD1 LEU A 84 15.027 0.519 7.535 1.00 0.00 C ATOM 1309 CD2 LEU A 84 15.485 -1.840 6.992 1.00 0.00 C ATOM 0 H LEU A 84 16.586 2.122 5.887 1.00 0.00 H new ATOM 0 HA LEU A 84 18.260 1.130 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.858 0.054 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.948 -0.986 6.374 1.00 0.00 H new ATOM 0 HG LEU A 84 16.600 -0.602 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.262 0.164 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.447 1.454 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.581 0.687 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.677 -2.092 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.086 -1.740 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.235 -2.631 7.009 1.00 0.00 H new ATOM 1321 N GLN A 85 19.734 1.963 5.380 1.00 0.00 N ATOM 1322 CA GLN A 85 20.719 1.830 4.322 1.00 0.00 C ATOM 1323 C GLN A 85 21.342 3.170 3.988 1.00 0.00 C ATOM 1324 O GLN A 85 20.790 4.207 4.392 1.00 0.00 O ATOM 1325 CB GLN A 85 20.071 1.122 3.108 1.00 0.00 C ATOM 1326 CG GLN A 85 18.611 1.437 2.720 1.00 0.00 C ATOM 1327 CD GLN A 85 18.391 2.736 1.944 1.00 0.00 C ATOM 1328 OE1 GLN A 85 18.784 3.858 2.510 1.00 0.00 O flip ATOM 1329 NE2 GLN A 85 17.800 2.760 0.862 1.00 0.00 N flip ATOM 0 H GLN A 85 19.270 2.871 5.387 1.00 0.00 H new ATOM 0 HA GLN A 85 21.547 1.204 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.691 1.337 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.135 0.049 3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.228 0.610 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.014 1.475 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 85 17.497 1.889 0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.614 3.651 0.402 1.00 0.00 H new TER 1338 GLN A 85