USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Single : A 3 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.033) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 20 THR OG1 : rot 65:sc= 0.221 USER MOD Single : A 24 GLN : amide:sc= -0.0282 K(o=-0.028,f=-0.56) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -97:sc= -0.167 (180deg=-1.25) USER MOD Single : A 29 TYR OH : rot 150:sc= -1.38! USER MOD Single : A 34 ASN : amide:sc= -1.54 K(o=-1.5,f=-9.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.21 K(o=-1.2,f=-9.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 165:sc= -0.489 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.903 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 51:sc= 0.0435 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 75 ASN : amide:sc= -4.33 K(o=-4.3,f=-17!) USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.067 USER MOD Single : A 81 MET CE :methyl -129:sc= 0 (180deg=-0.576) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.00425 (180deg=0) USER MOD Single : A 83 SER OG : rot 12:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -7.231 -9.223 -10.485 1.00 0.00 N ATOM 2 CA ALA A 2 -7.149 -9.114 -8.999 1.00 0.00 C ATOM 3 C ALA A 2 -6.396 -7.838 -8.612 1.00 0.00 C ATOM 4 O ALA A 2 -6.877 -7.040 -7.832 1.00 0.00 O ATOM 5 CB ALA A 2 -6.410 -10.330 -8.433 1.00 0.00 C ATOM 0 HA ALA A 2 -8.158 -9.077 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.352 -10.248 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.948 -11.239 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.403 -10.370 -8.848 1.00 0.00 H new ATOM 13 N GLN A 3 -5.213 -7.642 -9.147 1.00 0.00 N ATOM 14 CA GLN A 3 -4.408 -6.421 -8.813 1.00 0.00 C ATOM 15 C GLN A 3 -5.255 -5.153 -8.966 1.00 0.00 C ATOM 16 O GLN A 3 -6.221 -5.126 -9.706 1.00 0.00 O ATOM 17 CB GLN A 3 -3.202 -6.334 -9.750 1.00 0.00 C ATOM 18 CG GLN A 3 -3.675 -6.355 -11.206 1.00 0.00 C ATOM 19 CD GLN A 3 -2.591 -6.978 -12.088 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.157 -6.378 -13.051 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.134 -8.165 -11.798 1.00 0.00 N ATOM 0 H GLN A 3 -4.767 -8.280 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.075 -6.499 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.642 -5.420 -9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.525 -7.168 -9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.600 -6.926 -11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.894 -5.342 -11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.499 -8.668 -10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.412 -8.590 -12.380 1.00 0.00 H new ATOM 30 N LYS A 4 -4.896 -4.106 -8.267 1.00 0.00 N ATOM 31 CA LYS A 4 -5.675 -2.836 -8.360 1.00 0.00 C ATOM 32 C LYS A 4 -4.728 -1.647 -8.182 1.00 0.00 C ATOM 33 O LYS A 4 -3.624 -1.793 -7.695 1.00 0.00 O ATOM 34 CB LYS A 4 -6.750 -2.817 -7.261 1.00 0.00 C ATOM 35 CG LYS A 4 -8.141 -2.707 -7.893 1.00 0.00 C ATOM 36 CD LYS A 4 -9.064 -1.909 -6.967 1.00 0.00 C ATOM 37 CE LYS A 4 -9.106 -0.448 -7.421 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.047 0.313 -6.551 1.00 0.00 N ATOM 0 H LYS A 4 -4.096 -4.077 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.157 -2.769 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.685 -3.724 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.579 -1.977 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.072 -2.218 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.553 -3.701 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.067 -2.334 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.707 -1.971 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.109 -0.010 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.426 -0.388 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.077 1.306 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.998 -0.101 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.723 0.265 -5.564 1.00 0.00 H new ATOM 52 N THR A 5 -5.156 -0.474 -8.573 1.00 0.00 N ATOM 53 CA THR A 5 -4.289 0.732 -8.431 1.00 0.00 C ATOM 54 C THR A 5 -4.733 1.538 -7.209 1.00 0.00 C ATOM 55 O THR A 5 -5.803 1.324 -6.670 1.00 0.00 O ATOM 56 CB THR A 5 -4.411 1.601 -9.685 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.368 0.773 -10.838 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.255 2.601 -9.728 1.00 0.00 C ATOM 0 H THR A 5 -6.072 -0.300 -8.986 1.00 0.00 H new ATOM 0 HA THR A 5 -3.252 0.420 -8.305 1.00 0.00 H new ATOM 0 HB THR A 5 -5.356 2.143 -9.662 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.448 1.328 -11.642 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.342 3.220 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.290 3.235 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.308 2.062 -9.751 1.00 0.00 H new ATOM 66 N PHE A 6 -3.918 2.465 -6.772 1.00 0.00 N ATOM 67 CA PHE A 6 -4.285 3.292 -5.586 1.00 0.00 C ATOM 68 C PHE A 6 -3.654 4.678 -5.722 1.00 0.00 C ATOM 69 O PHE A 6 -2.562 4.820 -6.237 1.00 0.00 O ATOM 70 CB PHE A 6 -3.761 2.623 -4.315 1.00 0.00 C ATOM 71 CG PHE A 6 -4.658 1.468 -3.942 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.451 0.208 -4.514 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.696 1.657 -3.020 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.281 -0.865 -4.166 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.525 0.585 -2.671 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.319 -0.676 -3.244 1.00 0.00 C ATOM 0 H PHE A 6 -3.013 2.684 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.370 3.385 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.742 2.269 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.725 3.346 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.651 0.063 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.856 2.630 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.121 -1.837 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.324 0.730 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.960 -1.503 -2.975 1.00 0.00 H new ATOM 86 N LYS A 7 -4.328 5.697 -5.254 1.00 0.00 N ATOM 87 CA LYS A 7 -3.764 7.075 -5.347 1.00 0.00 C ATOM 88 C LYS A 7 -3.332 7.533 -3.954 1.00 0.00 C ATOM 89 O LYS A 7 -4.096 7.483 -3.008 1.00 0.00 O ATOM 90 CB LYS A 7 -4.822 8.033 -5.892 1.00 0.00 C ATOM 91 CG LYS A 7 -4.140 9.157 -6.676 1.00 0.00 C ATOM 92 CD LYS A 7 -3.645 8.622 -8.021 1.00 0.00 C ATOM 93 CE LYS A 7 -4.842 8.234 -8.890 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.489 8.406 -10.329 1.00 0.00 N ATOM 0 H LYS A 7 -5.245 5.633 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.906 7.072 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.517 7.495 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.407 8.450 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.839 9.978 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.304 9.557 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.046 9.379 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.000 7.757 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.126 7.200 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.703 8.854 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.303 8.142 -10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.238 9.399 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.679 7.797 -10.563 1.00 0.00 H new ATOM 108 N VAL A 8 -2.110 7.971 -3.827 1.00 0.00 N ATOM 109 CA VAL A 8 -1.603 8.433 -2.500 1.00 0.00 C ATOM 110 C VAL A 8 -1.861 9.932 -2.345 1.00 0.00 C ATOM 111 O VAL A 8 -1.384 10.734 -3.128 1.00 0.00 O ATOM 112 CB VAL A 8 -0.099 8.163 -2.400 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.371 8.428 -0.970 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.189 6.703 -2.764 1.00 0.00 C ATOM 0 H VAL A 8 -1.435 8.030 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.122 7.891 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 8 0.431 8.820 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.442 8.236 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.170 9.467 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.163 7.770 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.260 6.515 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.342 6.045 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.146 6.509 -3.783 1.00 0.00 H new ATOM 124 N THR A 9 -2.607 10.313 -1.339 1.00 0.00 N ATOM 125 CA THR A 9 -2.898 11.761 -1.122 1.00 0.00 C ATOM 126 C THR A 9 -2.705 12.117 0.357 1.00 0.00 C ATOM 127 O THR A 9 -3.266 13.078 0.847 1.00 0.00 O ATOM 128 CB THR A 9 -4.344 12.056 -1.529 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.643 11.371 -2.737 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.520 13.561 -1.735 1.00 0.00 C ATOM 0 H THR A 9 -3.028 9.681 -0.657 1.00 0.00 H new ATOM 0 HA THR A 9 -2.215 12.357 -1.727 1.00 0.00 H new ATOM 0 HB THR A 9 -5.020 11.718 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.569 11.558 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.550 13.771 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.290 14.085 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.845 13.902 -2.520 1.00 0.00 H new ATOM 138 N ALA A 10 -1.914 11.350 1.070 1.00 0.00 N ATOM 139 CA ALA A 10 -1.682 11.644 2.514 1.00 0.00 C ATOM 140 C ALA A 10 -0.692 12.803 2.643 1.00 0.00 C ATOM 141 O ALA A 10 0.231 12.929 1.862 1.00 0.00 O ATOM 142 CB ALA A 10 -1.109 10.403 3.202 1.00 0.00 C ATOM 0 H ALA A 10 -1.420 10.533 0.711 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.625 11.917 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.939 10.618 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.814 9.577 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.165 10.129 2.731 1.00 0.00 H new ATOM 148 N ASP A 11 -0.876 13.652 3.626 1.00 0.00 N ATOM 149 CA ASP A 11 0.052 14.812 3.814 1.00 0.00 C ATOM 150 C ASP A 11 1.492 14.309 3.960 1.00 0.00 C ATOM 151 O ASP A 11 2.394 14.787 3.298 1.00 0.00 O ATOM 152 CB ASP A 11 -0.347 15.583 5.073 1.00 0.00 C ATOM 153 CG ASP A 11 -1.602 16.410 4.790 1.00 0.00 C ATOM 154 OD1 ASP A 11 -1.561 17.222 3.881 1.00 0.00 O ATOM 155 OD2 ASP A 11 -2.585 16.216 5.488 1.00 0.00 O ATOM 0 H ASP A 11 -1.632 13.591 4.308 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.013 15.468 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.533 14.889 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.468 16.235 5.386 1.00 0.00 H new ATOM 160 N SER A 12 1.708 13.345 4.817 1.00 0.00 N ATOM 161 CA SER A 12 3.085 12.799 5.007 1.00 0.00 C ATOM 162 C SER A 12 3.396 11.805 3.886 1.00 0.00 C ATOM 163 O SER A 12 4.537 11.635 3.497 1.00 0.00 O ATOM 164 CB SER A 12 3.171 12.083 6.357 1.00 0.00 C ATOM 165 OG SER A 12 1.938 11.426 6.621 1.00 0.00 O ATOM 0 H SER A 12 0.988 12.911 5.395 1.00 0.00 H new ATOM 0 HA SER A 12 3.806 13.617 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.986 11.360 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.391 12.800 7.148 1.00 0.00 H new ATOM 0 HG SER A 12 1.991 10.965 7.484 1.00 0.00 H new ATOM 171 N GLY A 13 2.389 11.150 3.367 1.00 0.00 N ATOM 172 CA GLY A 13 2.616 10.163 2.271 1.00 0.00 C ATOM 173 C GLY A 13 2.630 8.751 2.856 1.00 0.00 C ATOM 174 O GLY A 13 2.152 8.520 3.951 1.00 0.00 O ATOM 0 H GLY A 13 1.417 11.257 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.831 10.250 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.561 10.370 1.770 1.00 0.00 H new ATOM 178 N ILE A 14 3.176 7.807 2.133 1.00 0.00 N ATOM 179 CA ILE A 14 3.227 6.405 2.640 1.00 0.00 C ATOM 180 C ILE A 14 4.620 6.129 3.220 1.00 0.00 C ATOM 181 O ILE A 14 5.354 5.289 2.730 1.00 0.00 O ATOM 182 CB ILE A 14 2.936 5.439 1.488 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.571 5.771 0.881 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.925 3.999 2.008 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.343 4.913 -0.364 1.00 0.00 C ATOM 0 H ILE A 14 3.589 7.948 1.211 1.00 0.00 H new ATOM 0 HA ILE A 14 2.479 6.264 3.421 1.00 0.00 H new ATOM 0 HB ILE A 14 3.711 5.540 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.783 5.588 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.525 6.828 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.717 3.316 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.897 3.761 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.153 3.893 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.371 5.150 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.125 5.118 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.371 3.859 -0.089 1.00 0.00 H new HETATM 197 N HIP A 15 4.988 6.837 4.260 1.00 0.00 N HETATM 198 CA HIP A 15 6.332 6.625 4.874 1.00 0.00 C HETATM 199 CB HIP A 15 6.836 7.937 5.516 1.00 0.00 C HETATM 200 CG HIP A 15 6.056 8.307 6.751 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.718 8.512 6.965 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.509 8.879 8.284 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.714 8.891 8.849 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.681 8.556 7.973 1.00 0.00 N HETATM 205 P HIP A 15 8.123 8.848 8.154 1.00 0.00 P HETATM 206 O1P HIP A 15 8.899 7.591 8.230 1.00 0.00 O HETATM 207 O2P HIP A 15 8.327 9.651 9.381 1.00 0.00 O HETATM 208 O3P HIP A 15 8.437 9.622 6.932 1.00 0.00 O HETATM 209 C HIP A 15 6.274 5.466 5.890 1.00 0.00 C HETATM 210 O HIP A 15 5.481 4.555 5.747 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.617 9.095 8.730 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.896 9.142 9.894 1.00 0.00 H new HETATM 0 HD2 HIP A 15 3.937 8.403 6.212 1.00 0.00 H new HETATM 0 HB3 HIP A 15 7.890 7.831 5.773 1.00 0.00 H new HETATM 0 HB2 HIP A 15 6.765 8.745 4.788 1.00 0.00 H new HETATM 0 HA HIP A 15 7.046 6.345 4.100 1.00 0.00 H new HETATM 0 H HIP A 15 4.544 7.754 4.308 1.00 0.00 H new ATOM 218 N ALA A 16 7.132 5.467 6.883 1.00 0.00 N ATOM 219 CA ALA A 16 7.163 4.342 7.874 1.00 0.00 C ATOM 220 C ALA A 16 5.834 4.187 8.635 1.00 0.00 C ATOM 221 O ALA A 16 5.334 3.088 8.776 1.00 0.00 O ATOM 222 CB ALA A 16 8.289 4.594 8.879 1.00 0.00 C ATOM 0 H ALA A 16 7.817 6.204 7.051 1.00 0.00 H new ATOM 0 HA ALA A 16 7.331 3.419 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.319 3.780 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.242 4.646 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.110 5.536 9.398 1.00 0.00 H new ATOM 228 N ARG A 17 5.271 5.255 9.155 1.00 0.00 N ATOM 229 CA ARG A 17 3.990 5.136 9.940 1.00 0.00 C ATOM 230 C ARG A 17 2.925 4.335 9.154 1.00 0.00 C ATOM 231 O ARG A 17 2.442 3.331 9.645 1.00 0.00 O ATOM 232 CB ARG A 17 3.452 6.537 10.269 1.00 0.00 C ATOM 233 CG ARG A 17 3.274 6.688 11.783 1.00 0.00 C ATOM 234 CD ARG A 17 4.561 7.246 12.395 1.00 0.00 C ATOM 235 NE ARG A 17 4.251 7.888 13.704 1.00 0.00 N ATOM 236 CZ ARG A 17 4.971 7.607 14.754 1.00 0.00 C ATOM 237 NH1 ARG A 17 6.223 7.971 14.804 1.00 0.00 N ATOM 238 NH2 ARG A 17 4.439 6.960 15.756 1.00 0.00 N ATOM 0 H ARG A 17 5.639 6.203 9.072 1.00 0.00 H new ATOM 0 HA ARG A 17 4.204 4.599 10.864 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.141 7.296 9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.499 6.697 9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.438 7.354 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.035 5.723 12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.287 6.445 12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.012 7.973 11.719 1.00 0.00 H new ATOM 0 HE ARG A 17 3.476 8.547 13.778 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.639 8.476 14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.786 7.751 15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.461 6.675 15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.002 6.740 16.578 1.00 0.00 H new ATOM 252 N PRO A 18 2.579 4.778 7.958 1.00 0.00 N ATOM 253 CA PRO A 18 1.574 4.073 7.140 1.00 0.00 C ATOM 254 C PRO A 18 2.148 2.758 6.598 1.00 0.00 C ATOM 255 O PRO A 18 1.413 1.872 6.205 1.00 0.00 O ATOM 256 CB PRO A 18 1.259 5.058 6.011 1.00 0.00 C ATOM 257 CG PRO A 18 2.469 6.013 5.923 1.00 0.00 C ATOM 258 CD PRO A 18 3.145 5.984 7.303 1.00 0.00 C ATOM 0 HA PRO A 18 0.682 3.796 7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.108 4.533 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.342 5.609 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.161 5.692 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.149 7.023 5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.229 5.918 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.926 6.887 7.873 1.00 0.00 H new ATOM 266 N ALA A 19 3.453 2.618 6.592 1.00 0.00 N ATOM 267 CA ALA A 19 4.072 1.356 6.097 1.00 0.00 C ATOM 268 C ALA A 19 3.931 0.265 7.168 1.00 0.00 C ATOM 269 O ALA A 19 3.990 -0.913 6.870 1.00 0.00 O ATOM 270 CB ALA A 19 5.554 1.597 5.801 1.00 0.00 C ATOM 0 H ALA A 19 4.114 3.327 6.910 1.00 0.00 H new ATOM 0 HA ALA A 19 3.569 1.036 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.007 0.674 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.652 2.372 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.060 1.917 6.712 1.00 0.00 H new ATOM 276 N THR A 20 3.741 0.649 8.409 1.00 0.00 N ATOM 277 CA THR A 20 3.587 -0.358 9.497 1.00 0.00 C ATOM 278 C THR A 20 2.123 -0.791 9.564 1.00 0.00 C ATOM 279 O THR A 20 1.813 -1.931 9.859 1.00 0.00 O ATOM 280 CB THR A 20 3.994 0.270 10.834 1.00 0.00 C ATOM 281 OG1 THR A 20 4.984 1.264 10.609 1.00 0.00 O ATOM 282 CG2 THR A 20 4.552 -0.812 11.760 1.00 0.00 C ATOM 0 H THR A 20 3.686 1.622 8.712 1.00 0.00 H new ATOM 0 HA THR A 20 4.221 -1.222 9.296 1.00 0.00 H new ATOM 0 HB THR A 20 3.122 0.728 11.300 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.600 1.994 10.080 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.841 -0.364 12.711 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.789 -1.571 11.934 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.424 -1.273 11.296 1.00 0.00 H new ATOM 290 N VAL A 21 1.223 0.116 9.282 1.00 0.00 N ATOM 291 CA VAL A 21 -0.230 -0.223 9.315 1.00 0.00 C ATOM 292 C VAL A 21 -0.564 -1.102 8.114 1.00 0.00 C ATOM 293 O VAL A 21 -1.399 -1.984 8.180 1.00 0.00 O ATOM 294 CB VAL A 21 -1.057 1.057 9.223 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.528 0.735 9.497 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.559 2.076 10.253 1.00 0.00 C ATOM 0 H VAL A 21 1.434 1.081 9.029 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.457 -0.746 10.244 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.953 1.478 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.119 1.649 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.887 0.017 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.627 0.310 10.496 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.154 2.986 10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.656 1.658 11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.487 2.310 10.057 1.00 0.00 H new ATOM 306 N LEU A 22 0.081 -0.843 7.012 1.00 0.00 N ATOM 307 CA LEU A 22 -0.179 -1.621 5.775 1.00 0.00 C ATOM 308 C LEU A 22 0.503 -2.989 5.851 1.00 0.00 C ATOM 309 O LEU A 22 -0.085 -3.996 5.519 1.00 0.00 O ATOM 310 CB LEU A 22 0.380 -0.838 4.593 1.00 0.00 C ATOM 311 CG LEU A 22 -0.425 0.447 4.412 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.251 1.314 3.347 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.843 0.098 3.959 1.00 0.00 C ATOM 0 H LEU A 22 0.788 -0.114 6.917 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.251 -1.777 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.430 -0.602 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.332 -1.442 3.687 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.470 0.991 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.318 2.234 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.264 1.558 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.289 0.769 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.419 1.014 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.800 -0.441 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.322 -0.528 4.712 1.00 0.00 H new ATOM 325 N VAL A 23 1.740 -3.031 6.277 1.00 0.00 N ATOM 326 CA VAL A 23 2.466 -4.336 6.365 1.00 0.00 C ATOM 327 C VAL A 23 1.724 -5.283 7.325 1.00 0.00 C ATOM 328 O VAL A 23 1.808 -6.490 7.203 1.00 0.00 O ATOM 329 CB VAL A 23 3.900 -4.086 6.864 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.863 -3.443 8.252 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.662 -5.413 6.940 1.00 0.00 C ATOM 0 H VAL A 23 2.280 -2.216 6.568 1.00 0.00 H new ATOM 0 HA VAL A 23 2.505 -4.801 5.380 1.00 0.00 H new ATOM 0 HB VAL A 23 4.405 -3.416 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.881 -3.269 8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.330 -2.494 8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.351 -4.108 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.677 -5.230 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.153 -6.086 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.699 -5.868 5.950 1.00 0.00 H new ATOM 341 N GLN A 24 1.011 -4.740 8.279 1.00 0.00 N ATOM 342 CA GLN A 24 0.274 -5.599 9.256 1.00 0.00 C ATOM 343 C GLN A 24 -0.952 -6.237 8.591 1.00 0.00 C ATOM 344 O GLN A 24 -1.143 -7.437 8.653 1.00 0.00 O ATOM 345 CB GLN A 24 -0.183 -4.743 10.441 1.00 0.00 C ATOM 346 CG GLN A 24 1.038 -4.218 11.205 1.00 0.00 C ATOM 347 CD GLN A 24 1.244 -5.040 12.480 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.977 -6.225 12.504 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.712 -4.456 13.550 1.00 0.00 N ATOM 0 H GLN A 24 0.907 -3.736 8.424 1.00 0.00 H new ATOM 0 HA GLN A 24 0.940 -6.389 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.788 -3.908 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.813 -5.333 11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.926 -4.278 10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.896 -3.167 11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.937 -3.461 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.853 -4.995 14.405 1.00 0.00 H new ATOM 358 N THR A 25 -1.790 -5.443 7.971 1.00 0.00 N ATOM 359 CA THR A 25 -3.017 -5.998 7.315 1.00 0.00 C ATOM 360 C THR A 25 -2.630 -7.007 6.228 1.00 0.00 C ATOM 361 O THR A 25 -3.091 -8.132 6.224 1.00 0.00 O ATOM 362 CB THR A 25 -3.816 -4.854 6.688 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.884 -3.769 7.601 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.230 -5.336 6.359 1.00 0.00 C ATOM 0 H THR A 25 -1.678 -4.432 7.890 1.00 0.00 H new ATOM 0 HA THR A 25 -3.623 -6.505 8.066 1.00 0.00 H new ATOM 0 HB THR A 25 -3.324 -4.527 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.394 -3.035 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.798 -4.520 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.177 -6.168 5.657 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.724 -5.664 7.273 1.00 0.00 H new ATOM 372 N ALA A 26 -1.798 -6.606 5.301 1.00 0.00 N ATOM 373 CA ALA A 26 -1.379 -7.527 4.200 1.00 0.00 C ATOM 374 C ALA A 26 -0.713 -8.779 4.779 1.00 0.00 C ATOM 375 O ALA A 26 -0.705 -9.825 4.158 1.00 0.00 O ATOM 376 CB ALA A 26 -0.389 -6.803 3.285 1.00 0.00 C ATOM 0 H ALA A 26 -1.388 -5.673 5.259 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.260 -7.826 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.081 -7.471 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.865 -5.919 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.486 -6.502 3.861 1.00 0.00 H new ATOM 382 N SER A 27 -0.153 -8.683 5.961 1.00 0.00 N ATOM 383 CA SER A 27 0.512 -9.871 6.577 1.00 0.00 C ATOM 384 C SER A 27 -0.525 -10.974 6.804 1.00 0.00 C ATOM 385 O SER A 27 -0.249 -12.144 6.616 1.00 0.00 O ATOM 386 CB SER A 27 1.131 -9.472 7.918 1.00 0.00 C ATOM 387 OG SER A 27 1.814 -10.590 8.470 1.00 0.00 O ATOM 0 H SER A 27 -0.128 -7.833 6.524 1.00 0.00 H new ATOM 0 HA SER A 27 1.293 -10.236 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.822 -8.641 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.355 -9.131 8.603 1.00 0.00 H new ATOM 0 HG SER A 27 2.213 -10.338 9.329 1.00 0.00 H new ATOM 393 N LYS A 28 -1.714 -10.604 7.204 1.00 0.00 N ATOM 394 CA LYS A 28 -2.780 -11.620 7.447 1.00 0.00 C ATOM 395 C LYS A 28 -3.120 -12.343 6.140 1.00 0.00 C ATOM 396 O LYS A 28 -3.587 -13.466 6.152 1.00 0.00 O ATOM 397 CB LYS A 28 -4.034 -10.924 7.982 1.00 0.00 C ATOM 398 CG LYS A 28 -3.695 -10.181 9.277 1.00 0.00 C ATOM 399 CD LYS A 28 -3.566 -11.186 10.423 1.00 0.00 C ATOM 400 CE LYS A 28 -4.947 -11.467 11.023 1.00 0.00 C ATOM 401 NZ LYS A 28 -5.492 -12.729 10.449 1.00 0.00 N ATOM 0 H LYS A 28 -1.993 -9.638 7.373 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.422 -12.346 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.419 -10.225 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.819 -11.658 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.764 -9.627 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.472 -9.452 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.122 -12.112 10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.899 -10.793 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.874 -11.550 12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.622 -10.638 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.133 -12.504 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.709 -13.318 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.015 -13.247 11.184 1.00 0.00 H new ATOM 415 N TYR A 29 -2.895 -11.709 5.013 1.00 0.00 N ATOM 416 CA TYR A 29 -3.213 -12.362 3.708 1.00 0.00 C ATOM 417 C TYR A 29 -1.998 -13.150 3.217 1.00 0.00 C ATOM 418 O TYR A 29 -0.909 -12.622 3.092 1.00 0.00 O ATOM 419 CB TYR A 29 -3.597 -11.299 2.677 1.00 0.00 C ATOM 420 CG TYR A 29 -4.928 -10.701 3.067 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.114 -11.372 2.745 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.976 -9.486 3.761 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.348 -10.826 3.113 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.212 -8.941 4.131 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.399 -9.612 3.807 1.00 0.00 C ATOM 426 OH TYR A 29 -8.617 -9.078 4.174 1.00 0.00 O ATOM 0 H TYR A 29 -2.505 -10.769 4.943 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.051 -13.046 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.833 -10.523 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.659 -11.742 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.076 -12.311 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.061 -8.970 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.263 -11.342 2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.250 -8.004 4.666 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.511 -8.558 4.998 1.00 0.00 H new ATOM 436 N ASP A 30 -2.186 -14.414 2.941 1.00 0.00 N ATOM 437 CA ASP A 30 -1.058 -15.262 2.458 1.00 0.00 C ATOM 438 C ASP A 30 -0.642 -14.823 1.052 1.00 0.00 C ATOM 439 O ASP A 30 0.483 -15.035 0.638 1.00 0.00 O ATOM 440 CB ASP A 30 -1.501 -16.725 2.422 1.00 0.00 C ATOM 441 CG ASP A 30 -1.903 -17.171 3.830 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.038 -17.201 4.689 1.00 0.00 O ATOM 443 OD2 ASP A 30 -3.068 -17.476 4.023 1.00 0.00 O ATOM 0 H ASP A 30 -3.079 -14.898 3.030 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.211 -15.151 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.341 -16.845 1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.692 -17.352 2.047 1.00 0.00 H new ATOM 448 N ALA A 31 -1.539 -14.214 0.312 1.00 0.00 N ATOM 449 CA ALA A 31 -1.198 -13.762 -1.070 1.00 0.00 C ATOM 450 C ALA A 31 -0.017 -12.791 -1.022 1.00 0.00 C ATOM 451 O ALA A 31 0.119 -12.011 -0.097 1.00 0.00 O ATOM 452 CB ALA A 31 -2.409 -13.061 -1.691 1.00 0.00 C ATOM 0 H ALA A 31 -2.494 -14.011 0.609 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.927 -14.628 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.161 -12.731 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.249 -13.754 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.681 -12.198 -1.083 1.00 0.00 H new ATOM 458 N ASP A 32 0.839 -12.838 -2.009 1.00 0.00 N ATOM 459 CA ASP A 32 2.019 -11.928 -2.029 1.00 0.00 C ATOM 460 C ASP A 32 1.647 -10.629 -2.745 1.00 0.00 C ATOM 461 O ASP A 32 1.694 -10.542 -3.958 1.00 0.00 O ATOM 462 CB ASP A 32 3.174 -12.607 -2.765 1.00 0.00 C ATOM 463 CG ASP A 32 3.656 -13.812 -1.956 1.00 0.00 C ATOM 464 OD1 ASP A 32 2.817 -14.586 -1.525 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.857 -13.941 -1.781 1.00 0.00 O ATOM 0 H ASP A 32 0.770 -13.471 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 32 2.324 -11.704 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.850 -12.927 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.992 -11.901 -2.909 1.00 0.00 H new ATOM 470 N VAL A 33 1.280 -9.619 -1.998 1.00 0.00 N ATOM 471 CA VAL A 33 0.907 -8.317 -2.621 1.00 0.00 C ATOM 472 C VAL A 33 2.163 -7.445 -2.743 1.00 0.00 C ATOM 473 O VAL A 33 2.922 -7.306 -1.802 1.00 0.00 O ATOM 474 CB VAL A 33 -0.160 -7.618 -1.759 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.372 -8.545 -1.578 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.415 -7.274 -0.382 1.00 0.00 C ATOM 0 H VAL A 33 1.223 -9.642 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 33 0.491 -8.482 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.468 -6.701 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.124 -8.046 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.796 -8.784 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.056 -9.464 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.349 -6.780 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.734 -8.189 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.270 -6.608 -0.501 1.00 0.00 H new ATOM 486 N ASN A 34 2.395 -6.875 -3.899 1.00 0.00 N ATOM 487 CA ASN A 34 3.612 -6.031 -4.088 1.00 0.00 C ATOM 488 C ASN A 34 3.218 -4.617 -4.519 1.00 0.00 C ATOM 489 O ASN A 34 2.448 -4.429 -5.442 1.00 0.00 O ATOM 490 CB ASN A 34 4.500 -6.660 -5.165 1.00 0.00 C ATOM 491 CG ASN A 34 5.007 -8.018 -4.678 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.356 -8.676 -3.889 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.150 -8.469 -5.115 1.00 0.00 N ATOM 0 H ASN A 34 1.794 -6.958 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 34 4.154 -5.974 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.937 -6.781 -6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.342 -6.004 -5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.497 -9.373 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.696 -7.918 -5.777 1.00 0.00 H new ATOM 500 N LEU A 35 3.759 -3.625 -3.859 1.00 0.00 N ATOM 501 CA LEU A 35 3.447 -2.212 -4.220 1.00 0.00 C ATOM 502 C LEU A 35 4.457 -1.737 -5.268 1.00 0.00 C ATOM 503 O LEU A 35 5.605 -2.145 -5.258 1.00 0.00 O ATOM 504 CB LEU A 35 3.552 -1.335 -2.969 1.00 0.00 C ATOM 505 CG LEU A 35 3.144 0.100 -3.308 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.621 0.183 -3.420 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.625 1.040 -2.202 1.00 0.00 C ATOM 0 H LEU A 35 4.408 -3.736 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 35 2.437 -2.142 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.909 -1.729 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.572 -1.352 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 35 3.595 0.393 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.329 1.205 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.277 -0.488 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.170 -0.109 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.335 2.063 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.173 0.748 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.710 0.980 -2.120 1.00 0.00 H new ATOM 519 N GLU A 36 4.044 -0.884 -6.172 1.00 0.00 N ATOM 520 CA GLU A 36 4.984 -0.389 -7.222 1.00 0.00 C ATOM 521 C GLU A 36 5.031 1.140 -7.200 1.00 0.00 C ATOM 522 O GLU A 36 4.013 1.801 -7.272 1.00 0.00 O ATOM 523 CB GLU A 36 4.509 -0.866 -8.595 1.00 0.00 C ATOM 524 CG GLU A 36 5.655 -0.748 -9.602 1.00 0.00 C ATOM 525 CD GLU A 36 5.266 -1.449 -10.905 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.380 -2.663 -10.959 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.860 -0.760 -11.826 1.00 0.00 O ATOM 0 H GLU A 36 3.097 -0.510 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 36 5.982 -0.780 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.169 -1.900 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.658 -0.269 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.877 0.302 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.560 -1.196 -9.192 1.00 0.00 H new ATOM 534 N TYR A 37 6.209 1.705 -7.106 1.00 0.00 N ATOM 535 CA TYR A 37 6.334 3.193 -7.084 1.00 0.00 C ATOM 536 C TYR A 37 7.766 3.592 -7.460 1.00 0.00 C ATOM 537 O TYR A 37 8.725 2.996 -7.010 1.00 0.00 O ATOM 538 CB TYR A 37 6.003 3.713 -5.680 1.00 0.00 C ATOM 539 CG TYR A 37 6.066 5.226 -5.667 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.259 5.968 -6.539 1.00 0.00 C ATOM 541 CD2 TYR A 37 6.935 5.881 -4.787 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.323 7.367 -6.529 1.00 0.00 C ATOM 543 CE2 TYR A 37 6.997 7.280 -4.778 1.00 0.00 C ATOM 544 CZ TYR A 37 6.192 8.023 -5.648 1.00 0.00 C ATOM 545 OH TYR A 37 6.257 9.401 -5.641 1.00 0.00 O ATOM 0 H TYR A 37 7.091 1.197 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 37 5.639 3.628 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.009 3.378 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.707 3.304 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.589 5.462 -7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.557 5.308 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.702 7.940 -7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.667 7.786 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 37 6.908 9.694 -4.970 1.00 0.00 H new ATOM 555 N ASN A 38 7.910 4.607 -8.275 1.00 0.00 N ATOM 556 CA ASN A 38 9.270 5.071 -8.686 1.00 0.00 C ATOM 557 C ASN A 38 10.011 3.945 -9.414 1.00 0.00 C ATOM 558 O ASN A 38 11.206 3.781 -9.264 1.00 0.00 O ATOM 559 CB ASN A 38 10.067 5.491 -7.445 1.00 0.00 C ATOM 560 CG ASN A 38 10.924 6.716 -7.773 1.00 0.00 C ATOM 561 OD1 ASN A 38 11.036 7.626 -6.977 1.00 0.00 O ATOM 562 ND2 ASN A 38 11.539 6.776 -8.923 1.00 0.00 N ATOM 0 H ASN A 38 7.137 5.138 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 38 9.167 5.923 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.387 5.720 -6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.702 4.669 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.113 7.587 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.445 6.012 -9.592 1.00 0.00 H new ATOM 569 N GLY A 39 9.309 3.172 -10.206 1.00 0.00 N ATOM 570 CA GLY A 39 9.966 2.057 -10.955 1.00 0.00 C ATOM 571 C GLY A 39 10.607 1.075 -9.971 1.00 0.00 C ATOM 572 O GLY A 39 11.593 0.430 -10.280 1.00 0.00 O ATOM 0 H GLY A 39 8.306 3.266 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.232 1.540 -11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.724 2.457 -11.629 1.00 0.00 H new ATOM 576 N LYS A 40 10.053 0.957 -8.793 1.00 0.00 N ATOM 577 CA LYS A 40 10.620 0.018 -7.782 1.00 0.00 C ATOM 578 C LYS A 40 9.501 -0.871 -7.240 1.00 0.00 C ATOM 579 O LYS A 40 8.595 -0.405 -6.575 1.00 0.00 O ATOM 580 CB LYS A 40 11.239 0.817 -6.633 1.00 0.00 C ATOM 581 CG LYS A 40 12.700 1.129 -6.957 1.00 0.00 C ATOM 582 CD LYS A 40 13.273 2.064 -5.890 1.00 0.00 C ATOM 583 CE LYS A 40 14.769 1.795 -5.724 1.00 0.00 C ATOM 584 NZ LYS A 40 15.412 2.962 -5.056 1.00 0.00 N ATOM 0 H LYS A 40 9.228 1.473 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 40 11.388 -0.601 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.684 1.742 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.175 0.249 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.280 0.207 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.774 1.594 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.109 3.103 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.758 1.910 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.924 0.893 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.228 1.621 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.430 2.780 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.275 3.813 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.980 3.108 -4.121 1.00 0.00 H new ATOM 598 N THR A 41 9.556 -2.148 -7.523 1.00 0.00 N ATOM 599 CA THR A 41 8.495 -3.073 -7.031 1.00 0.00 C ATOM 600 C THR A 41 8.924 -3.692 -5.701 1.00 0.00 C ATOM 601 O THR A 41 9.559 -4.728 -5.665 1.00 0.00 O ATOM 602 CB THR A 41 8.265 -4.185 -8.057 1.00 0.00 C ATOM 603 OG1 THR A 41 8.013 -3.608 -9.331 1.00 0.00 O ATOM 604 CG2 THR A 41 7.064 -5.033 -7.632 1.00 0.00 C ATOM 0 H THR A 41 10.292 -2.589 -8.075 1.00 0.00 H new ATOM 0 HA THR A 41 7.571 -2.512 -6.888 1.00 0.00 H new ATOM 0 HB THR A 41 9.151 -4.817 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.867 -4.319 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.901 -5.825 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.259 -5.476 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.176 -4.403 -7.575 1.00 0.00 H new ATOM 612 N VAL A 42 8.564 -3.071 -4.605 1.00 0.00 N ATOM 613 CA VAL A 42 8.932 -3.633 -3.266 1.00 0.00 C ATOM 614 C VAL A 42 7.718 -4.331 -2.669 1.00 0.00 C ATOM 615 O VAL A 42 6.595 -3.901 -2.850 1.00 0.00 O ATOM 616 CB VAL A 42 9.388 -2.538 -2.280 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.893 -2.310 -2.413 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.643 -1.220 -2.531 1.00 0.00 C ATOM 0 H VAL A 42 8.032 -2.201 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 42 9.759 -4.326 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 42 9.157 -2.876 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.207 -1.535 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.422 -3.236 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.125 -1.995 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.986 -0.467 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.841 -0.878 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.572 -1.378 -2.404 1.00 0.00 H new ATOM 628 N ASN A 43 7.940 -5.388 -1.939 1.00 0.00 N ATOM 629 CA ASN A 43 6.806 -6.106 -1.299 1.00 0.00 C ATOM 630 C ASN A 43 6.245 -5.210 -0.199 1.00 0.00 C ATOM 631 O ASN A 43 6.985 -4.496 0.453 1.00 0.00 O ATOM 632 CB ASN A 43 7.314 -7.412 -0.684 1.00 0.00 C ATOM 633 CG ASN A 43 6.138 -8.366 -0.460 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.019 -7.936 -0.267 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.347 -9.654 -0.477 1.00 0.00 N ATOM 0 H ASN A 43 8.862 -5.786 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 43 6.035 -6.336 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.050 -7.874 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.816 -7.209 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.571 -10.299 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.287 -10.016 -0.639 1.00 0.00 H new ATOM 642 N LEU A 44 4.953 -5.233 0.021 1.00 0.00 N ATOM 643 CA LEU A 44 4.377 -4.369 1.091 1.00 0.00 C ATOM 644 C LEU A 44 4.924 -4.788 2.459 1.00 0.00 C ATOM 645 O LEU A 44 4.795 -4.062 3.428 1.00 0.00 O ATOM 646 CB LEU A 44 2.858 -4.463 1.102 1.00 0.00 C ATOM 647 CG LEU A 44 2.314 -3.353 2.004 1.00 0.00 C ATOM 648 CD1 LEU A 44 2.135 -2.070 1.197 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.987 -3.795 2.613 1.00 0.00 C ATOM 0 H LEU A 44 4.281 -5.807 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 44 4.664 -3.338 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.464 -4.358 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.541 -5.439 1.468 1.00 0.00 H new ATOM 0 HG LEU A 44 3.022 -3.158 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.747 -1.284 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.096 -1.761 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.433 -2.248 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.600 -3.004 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.271 -3.999 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.140 -4.699 3.203 1.00 0.00 H new ATOM 661 N LYS A 45 5.556 -5.934 2.558 1.00 0.00 N ATOM 662 CA LYS A 45 6.131 -6.353 3.865 1.00 0.00 C ATOM 663 C LYS A 45 7.544 -5.765 3.975 1.00 0.00 C ATOM 664 O LYS A 45 8.497 -6.463 4.272 1.00 0.00 O ATOM 665 CB LYS A 45 6.193 -7.883 3.933 1.00 0.00 C ATOM 666 CG LYS A 45 4.769 -8.462 3.967 1.00 0.00 C ATOM 667 CD LYS A 45 4.575 -9.440 2.802 1.00 0.00 C ATOM 668 CE LYS A 45 3.125 -9.926 2.776 1.00 0.00 C ATOM 669 NZ LYS A 45 3.068 -11.286 2.171 1.00 0.00 N ATOM 0 H LYS A 45 5.695 -6.591 1.791 1.00 0.00 H new ATOM 0 HA LYS A 45 5.511 -5.994 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.733 -8.273 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.743 -8.195 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.597 -8.973 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.038 -7.656 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.823 -8.952 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.251 -10.288 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.720 -9.949 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.509 -9.235 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.082 -11.617 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.439 -11.250 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.643 -11.942 2.737 1.00 0.00 H new ATOM 683 N SER A 46 7.686 -4.479 3.736 1.00 0.00 N ATOM 684 CA SER A 46 9.028 -3.836 3.821 1.00 0.00 C ATOM 685 C SER A 46 8.842 -2.378 4.237 1.00 0.00 C ATOM 686 O SER A 46 8.750 -1.491 3.410 1.00 0.00 O ATOM 687 CB SER A 46 9.733 -3.907 2.460 1.00 0.00 C ATOM 688 OG SER A 46 10.939 -3.155 2.520 1.00 0.00 O ATOM 0 H SER A 46 6.923 -3.850 3.485 1.00 0.00 H new ATOM 0 HA SER A 46 9.643 -4.357 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.949 -4.944 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.083 -3.513 1.679 1.00 0.00 H new ATOM 0 HG SER A 46 11.507 -3.386 1.755 1.00 0.00 H new ATOM 694 N ILE A 47 8.771 -2.134 5.517 1.00 0.00 N ATOM 695 CA ILE A 47 8.570 -0.744 6.014 1.00 0.00 C ATOM 696 C ILE A 47 9.782 0.114 5.647 1.00 0.00 C ATOM 697 O ILE A 47 9.645 1.254 5.243 1.00 0.00 O ATOM 698 CB ILE A 47 8.388 -0.766 7.533 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.254 -1.748 7.884 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.037 0.648 8.018 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.959 -1.710 9.387 1.00 0.00 C ATOM 0 H ILE A 47 8.844 -2.844 6.245 1.00 0.00 H new ATOM 0 HA ILE A 47 7.679 -0.318 5.552 1.00 0.00 H new ATOM 0 HB ILE A 47 9.307 -1.090 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.355 -1.490 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.535 -2.759 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.906 0.639 9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.843 1.333 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.113 0.977 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.156 -2.409 9.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.855 -1.991 9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.656 -0.703 9.673 1.00 0.00 H new ATOM 713 N MET A 48 10.966 -0.426 5.783 1.00 0.00 N ATOM 714 CA MET A 48 12.192 0.350 5.443 1.00 0.00 C ATOM 715 C MET A 48 12.312 0.489 3.921 1.00 0.00 C ATOM 716 O MET A 48 12.896 1.433 3.423 1.00 0.00 O ATOM 717 CB MET A 48 13.419 -0.384 5.988 1.00 0.00 C ATOM 718 CG MET A 48 14.667 0.469 5.762 1.00 0.00 C ATOM 719 SD MET A 48 14.735 1.781 7.006 1.00 0.00 S ATOM 720 CE MET A 48 16.536 1.869 7.147 1.00 0.00 C ATOM 0 H MET A 48 11.135 -1.375 6.116 1.00 0.00 H new ATOM 0 HA MET A 48 12.129 1.343 5.889 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.292 -0.586 7.051 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.530 -1.348 5.491 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.561 -0.152 5.824 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.648 0.902 4.762 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.807 2.631 7.877 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.923 0.903 7.470 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.965 2.126 6.178 1.00 0.00 H new ATOM 730 N GLY A 49 11.766 -0.445 3.182 1.00 0.00 N ATOM 731 CA GLY A 49 11.848 -0.375 1.693 1.00 0.00 C ATOM 732 C GLY A 49 10.877 0.684 1.160 1.00 0.00 C ATOM 733 O GLY A 49 11.061 1.212 0.080 1.00 0.00 O ATOM 0 H GLY A 49 11.266 -1.255 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.866 -0.132 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.610 -1.347 1.262 1.00 0.00 H new ATOM 737 N VAL A 50 9.843 0.992 1.903 1.00 0.00 N ATOM 738 CA VAL A 50 8.856 2.011 1.436 1.00 0.00 C ATOM 739 C VAL A 50 9.400 3.416 1.711 1.00 0.00 C ATOM 740 O VAL A 50 9.118 4.351 0.985 1.00 0.00 O ATOM 741 CB VAL A 50 7.532 1.818 2.183 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.480 2.784 1.630 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.044 0.376 2.000 1.00 0.00 C ATOM 0 H VAL A 50 9.641 0.580 2.814 1.00 0.00 H new ATOM 0 HA VAL A 50 8.690 1.892 0.365 1.00 0.00 H new ATOM 0 HB VAL A 50 7.687 2.019 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.540 2.643 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.823 3.810 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.327 2.587 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.102 0.240 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.894 0.174 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.788 -0.313 2.399 1.00 0.00 H new ATOM 753 N VAL A 51 10.173 3.572 2.756 1.00 0.00 N ATOM 754 CA VAL A 51 10.733 4.916 3.086 1.00 0.00 C ATOM 755 C VAL A 51 11.878 5.252 2.126 1.00 0.00 C ATOM 756 O VAL A 51 12.140 6.407 1.844 1.00 0.00 O ATOM 757 CB VAL A 51 11.259 4.913 4.523 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.686 6.329 4.915 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.154 4.436 5.471 1.00 0.00 C ATOM 0 H VAL A 51 10.440 2.824 3.396 1.00 0.00 H new ATOM 0 HA VAL A 51 9.947 5.665 2.986 1.00 0.00 H new ATOM 0 HB VAL A 51 12.115 4.242 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.060 6.326 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.472 6.671 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.830 7.000 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.529 4.434 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.298 5.107 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.848 3.427 5.195 1.00 0.00 H new ATOM 769 N SER A 52 12.561 4.254 1.624 1.00 0.00 N ATOM 770 CA SER A 52 13.694 4.512 0.685 1.00 0.00 C ATOM 771 C SER A 52 13.174 5.211 -0.575 1.00 0.00 C ATOM 772 O SER A 52 13.894 5.950 -1.220 1.00 0.00 O ATOM 773 CB SER A 52 14.347 3.185 0.297 1.00 0.00 C ATOM 774 OG SER A 52 13.336 2.238 -0.019 1.00 0.00 O ATOM 0 H SER A 52 12.382 3.270 1.825 1.00 0.00 H new ATOM 0 HA SER A 52 14.428 5.151 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.007 3.328 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.963 2.816 1.117 1.00 0.00 H new ATOM 0 HG SER A 52 13.752 1.387 -0.269 1.00 0.00 H new ATOM 780 N LEU A 53 11.933 4.984 -0.927 1.00 0.00 N ATOM 781 CA LEU A 53 11.367 5.634 -2.146 1.00 0.00 C ATOM 782 C LEU A 53 11.141 7.124 -1.872 1.00 0.00 C ATOM 783 O LEU A 53 11.903 7.963 -2.313 1.00 0.00 O ATOM 784 CB LEU A 53 10.038 4.967 -2.509 1.00 0.00 C ATOM 785 CG LEU A 53 10.309 3.669 -3.269 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.631 2.553 -2.274 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.069 3.283 -4.080 1.00 0.00 C ATOM 0 H LEU A 53 11.288 4.376 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 53 12.064 5.523 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.465 4.759 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.436 5.640 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 53 11.154 3.813 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.824 1.627 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.513 2.825 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.785 2.410 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.262 2.357 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.224 3.139 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.837 4.077 -4.790 1.00 0.00 H new ATOM 799 N GLY A 54 10.102 7.456 -1.148 1.00 0.00 N ATOM 800 CA GLY A 54 9.825 8.891 -0.842 1.00 0.00 C ATOM 801 C GLY A 54 8.464 9.287 -1.420 1.00 0.00 C ATOM 802 O GLY A 54 8.356 10.231 -2.180 1.00 0.00 O ATOM 0 H GLY A 54 9.433 6.794 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.834 9.051 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.608 9.521 -1.265 1.00 0.00 H new ATOM 806 N ILE A 55 7.427 8.574 -1.060 1.00 0.00 N ATOM 807 CA ILE A 55 6.068 8.904 -1.581 1.00 0.00 C ATOM 808 C ILE A 55 5.560 10.169 -0.885 1.00 0.00 C ATOM 809 O ILE A 55 5.918 10.455 0.242 1.00 0.00 O ATOM 810 CB ILE A 55 5.121 7.731 -1.307 1.00 0.00 C ATOM 811 CG1 ILE A 55 5.676 6.470 -1.975 1.00 0.00 C ATOM 812 CG2 ILE A 55 3.734 8.037 -1.877 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.252 5.235 -1.180 1.00 0.00 C ATOM 0 H ILE A 55 7.464 7.776 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 55 6.111 9.079 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 55 5.040 7.576 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.310 6.398 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.763 6.524 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.066 7.199 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.337 8.936 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.809 8.194 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.649 4.340 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.640 5.305 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.164 5.178 -1.150 1.00 0.00 H new ATOM 825 N ALA A 56 4.738 10.933 -1.560 1.00 0.00 N ATOM 826 CA ALA A 56 4.213 12.191 -0.957 1.00 0.00 C ATOM 827 C ALA A 56 2.694 12.275 -1.173 1.00 0.00 C ATOM 828 O ALA A 56 2.039 11.275 -1.390 1.00 0.00 O ATOM 829 CB ALA A 56 4.910 13.382 -1.623 1.00 0.00 C ATOM 0 H ALA A 56 4.408 10.737 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 56 4.411 12.204 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.536 14.310 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.985 13.313 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.706 13.371 -2.694 1.00 0.00 H new ATOM 835 N LYS A 57 2.136 13.462 -1.104 1.00 0.00 N ATOM 836 CA LYS A 57 0.662 13.624 -1.299 1.00 0.00 C ATOM 837 C LYS A 57 0.342 13.775 -2.795 1.00 0.00 C ATOM 838 O LYS A 57 -0.152 14.798 -3.235 1.00 0.00 O ATOM 839 CB LYS A 57 0.185 14.867 -0.540 1.00 0.00 C ATOM 840 CG LYS A 57 1.015 16.081 -0.967 1.00 0.00 C ATOM 841 CD LYS A 57 0.201 17.361 -0.756 1.00 0.00 C ATOM 842 CE LYS A 57 0.520 18.367 -1.865 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.570 18.345 -2.883 1.00 0.00 N ATOM 0 H LYS A 57 2.642 14.328 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 57 0.149 12.742 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.871 15.046 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.281 14.708 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.937 16.125 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.301 15.988 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.864 17.130 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.432 17.794 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.620 19.368 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.474 18.120 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.355 19.028 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.645 17.391 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.472 18.600 -2.432 1.00 0.00 H new ATOM 857 N GLY A 58 0.616 12.763 -3.578 1.00 0.00 N ATOM 858 CA GLY A 58 0.329 12.840 -5.041 1.00 0.00 C ATOM 859 C GLY A 58 1.226 11.852 -5.786 1.00 0.00 C ATOM 860 O GLY A 58 1.967 12.224 -6.677 1.00 0.00 O ATOM 0 H GLY A 58 1.028 11.884 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.720 12.610 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.504 13.853 -5.404 1.00 0.00 H new ATOM 864 N ALA A 59 1.165 10.596 -5.424 1.00 0.00 N ATOM 865 CA ALA A 59 2.013 9.573 -6.104 1.00 0.00 C ATOM 866 C ALA A 59 1.154 8.363 -6.475 1.00 0.00 C ATOM 867 O ALA A 59 0.434 7.829 -5.654 1.00 0.00 O ATOM 868 CB ALA A 59 3.136 9.137 -5.160 1.00 0.00 C ATOM 0 H ALA A 59 0.562 10.235 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 59 2.445 9.999 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.757 8.390 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.747 10.001 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.705 8.709 -4.255 1.00 0.00 H new ATOM 874 N GLU A 60 1.227 7.928 -7.707 1.00 0.00 N ATOM 875 CA GLU A 60 0.416 6.752 -8.140 1.00 0.00 C ATOM 876 C GLU A 60 1.162 5.462 -7.790 1.00 0.00 C ATOM 877 O GLU A 60 2.326 5.301 -8.105 1.00 0.00 O ATOM 878 CB GLU A 60 0.190 6.815 -9.652 1.00 0.00 C ATOM 879 CG GLU A 60 -0.502 8.133 -10.011 1.00 0.00 C ATOM 880 CD GLU A 60 0.550 9.169 -10.414 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.161 8.991 -11.453 1.00 0.00 O ATOM 882 OE2 GLU A 60 0.725 10.123 -9.674 1.00 0.00 O ATOM 0 H GLU A 60 1.815 8.338 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.546 6.767 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.143 6.738 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.421 5.972 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.205 7.976 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.079 8.497 -9.161 1.00 0.00 H new ATOM 889 N ILE A 61 0.495 4.546 -7.139 1.00 0.00 N ATOM 890 CA ILE A 61 1.145 3.259 -6.758 1.00 0.00 C ATOM 891 C ILE A 61 0.340 2.093 -7.338 1.00 0.00 C ATOM 892 O ILE A 61 -0.874 2.068 -7.258 1.00 0.00 O ATOM 893 CB ILE A 61 1.189 3.144 -5.230 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.218 3.370 -4.660 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.147 4.200 -4.672 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.202 3.173 -3.141 1.00 0.00 C ATOM 0 H ILE A 61 -0.480 4.636 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 61 2.161 3.230 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 61 1.537 2.151 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.561 4.376 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.922 2.675 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.182 4.122 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.145 4.038 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.798 5.193 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.204 3.335 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.121 2.158 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.488 3.886 -2.689 1.00 0.00 H new ATOM 908 N THR A 62 1.007 1.134 -7.926 1.00 0.00 N ATOM 909 CA THR A 62 0.287 -0.032 -8.518 1.00 0.00 C ATOM 910 C THR A 62 0.467 -1.255 -7.617 1.00 0.00 C ATOM 911 O THR A 62 1.567 -1.733 -7.419 1.00 0.00 O ATOM 912 CB THR A 62 0.858 -0.335 -9.905 1.00 0.00 C ATOM 913 OG1 THR A 62 1.076 0.884 -10.601 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.129 -1.202 -10.685 1.00 0.00 C ATOM 0 H THR A 62 2.022 1.108 -8.022 1.00 0.00 H new ATOM 0 HA THR A 62 -0.774 0.204 -8.604 1.00 0.00 H new ATOM 0 HB THR A 62 1.803 -0.868 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.443 0.692 -11.489 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.278 -1.418 -11.673 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.295 -2.136 -10.149 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.075 -0.671 -10.790 1.00 0.00 H new ATOM 922 N ILE A 63 -0.610 -1.761 -7.073 1.00 0.00 N ATOM 923 CA ILE A 63 -0.518 -2.954 -6.185 1.00 0.00 C ATOM 924 C ILE A 63 -0.956 -4.197 -6.964 1.00 0.00 C ATOM 925 O ILE A 63 -1.729 -4.115 -7.900 1.00 0.00 O ATOM 926 CB ILE A 63 -1.426 -2.745 -4.964 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.918 -1.539 -4.166 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.409 -3.992 -4.071 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.872 -1.235 -3.004 1.00 0.00 C ATOM 0 H ILE A 63 -1.553 -1.396 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 63 0.509 -3.090 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.447 -2.568 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.082 -1.742 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.838 -0.669 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.056 -3.831 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.767 -4.851 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.391 -4.181 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.501 -0.376 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.864 -1.011 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.930 -2.101 -2.345 1.00 0.00 H new ATOM 941 N SER A 64 -0.464 -5.347 -6.578 1.00 0.00 N ATOM 942 CA SER A 64 -0.845 -6.603 -7.283 1.00 0.00 C ATOM 943 C SER A 64 -0.802 -7.775 -6.302 1.00 0.00 C ATOM 944 O SER A 64 0.254 -8.275 -5.963 1.00 0.00 O ATOM 945 CB SER A 64 0.132 -6.862 -8.430 1.00 0.00 C ATOM 946 OG SER A 64 1.443 -6.493 -8.024 1.00 0.00 O ATOM 0 H SER A 64 0.187 -5.468 -5.802 1.00 0.00 H new ATOM 0 HA SER A 64 -1.854 -6.501 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.109 -7.915 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.163 -6.290 -9.310 1.00 0.00 H new ATOM 0 HG SER A 64 1.648 -6.910 -7.161 1.00 0.00 H new ATOM 952 N ALA A 65 -1.947 -8.220 -5.850 1.00 0.00 N ATOM 953 CA ALA A 65 -1.990 -9.367 -4.897 1.00 0.00 C ATOM 954 C ALA A 65 -2.068 -10.669 -5.699 1.00 0.00 C ATOM 955 O ALA A 65 -2.906 -10.816 -6.569 1.00 0.00 O ATOM 956 CB ALA A 65 -3.226 -9.242 -4.002 1.00 0.00 C ATOM 0 H ALA A 65 -2.857 -7.835 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.096 -9.367 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.257 -10.080 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.177 -8.307 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.124 -9.249 -4.619 1.00 0.00 H new ATOM 962 N SER A 66 -1.196 -11.605 -5.424 1.00 0.00 N ATOM 963 CA SER A 66 -1.214 -12.893 -6.182 1.00 0.00 C ATOM 964 C SER A 66 -1.123 -14.070 -5.209 1.00 0.00 C ATOM 965 O SER A 66 -0.078 -14.342 -4.648 1.00 0.00 O ATOM 966 CB SER A 66 -0.032 -12.940 -7.150 1.00 0.00 C ATOM 967 OG SER A 66 0.390 -11.615 -7.452 1.00 0.00 O ATOM 0 H SER A 66 -0.473 -11.534 -4.708 1.00 0.00 H new ATOM 0 HA SER A 66 -2.145 -12.961 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.791 -13.503 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.318 -13.459 -8.065 1.00 0.00 H new ATOM 0 HG SER A 66 1.149 -11.647 -8.071 1.00 0.00 H new ATOM 973 N GLY A 67 -2.211 -14.772 -5.010 1.00 0.00 N ATOM 974 CA GLY A 67 -2.195 -15.937 -4.077 1.00 0.00 C ATOM 975 C GLY A 67 -3.597 -16.544 -3.987 1.00 0.00 C ATOM 976 O GLY A 67 -4.337 -16.563 -4.952 1.00 0.00 O ATOM 0 H GLY A 67 -3.110 -14.587 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.485 -16.686 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.861 -15.620 -3.089 1.00 0.00 H new ATOM 980 N ALA A 68 -3.960 -17.042 -2.833 1.00 0.00 N ATOM 981 CA ALA A 68 -5.310 -17.653 -2.663 1.00 0.00 C ATOM 982 C ALA A 68 -6.367 -16.549 -2.586 1.00 0.00 C ATOM 983 O ALA A 68 -7.150 -16.363 -3.499 1.00 0.00 O ATOM 984 CB ALA A 68 -5.337 -18.477 -1.374 1.00 0.00 C ATOM 0 H ALA A 68 -3.375 -17.051 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.525 -18.300 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.323 -18.924 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.586 -19.265 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.121 -17.830 -0.524 1.00 0.00 H new ATOM 990 N ASP A 69 -6.394 -15.817 -1.501 1.00 0.00 N ATOM 991 CA ASP A 69 -7.397 -14.720 -1.354 1.00 0.00 C ATOM 992 C ASP A 69 -6.740 -13.380 -1.698 1.00 0.00 C ATOM 993 O ASP A 69 -6.788 -12.435 -0.933 1.00 0.00 O ATOM 994 CB ASP A 69 -7.923 -14.692 0.087 1.00 0.00 C ATOM 995 CG ASP A 69 -6.751 -14.668 1.072 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.760 -14.023 0.772 1.00 0.00 O ATOM 997 OD2 ASP A 69 -6.865 -15.296 2.112 1.00 0.00 O ATOM 0 H ASP A 69 -5.762 -15.933 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.232 -14.895 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.552 -13.814 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.547 -15.567 0.272 1.00 0.00 H new ATOM 1002 N GLU A 70 -6.121 -13.296 -2.850 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.449 -12.026 -3.262 1.00 0.00 C ATOM 1004 C GLU A 70 -6.467 -10.880 -3.303 1.00 0.00 C ATOM 1005 O GLU A 70 -6.192 -9.780 -2.861 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.824 -12.205 -4.649 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.899 -12.627 -5.657 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.238 -13.320 -6.850 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.906 -14.487 -6.721 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.075 -12.672 -7.871 1.00 0.00 O ATOM 0 H GLU A 70 -6.052 -14.057 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.671 -11.784 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.358 -11.273 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.037 -12.958 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.613 -13.300 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.459 -11.755 -5.994 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.636 -11.132 -3.834 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.677 -10.063 -3.911 1.00 0.00 C ATOM 1019 C ASN A 71 -9.058 -9.605 -2.499 1.00 0.00 C ATOM 1020 O ASN A 71 -9.461 -8.475 -2.293 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.916 -10.613 -4.620 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.792 -10.373 -6.125 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.090 -9.298 -6.608 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.363 -11.336 -6.894 1.00 0.00 N ATOM 0 H ASN A 71 -7.915 -12.035 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.281 -9.214 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.020 -11.679 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.813 -10.127 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.278 -11.186 -7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.113 -12.238 -6.490 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.943 -10.477 -1.528 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.307 -10.105 -0.128 1.00 0.00 C ATOM 1033 C ASP A 72 -8.199 -9.255 0.506 1.00 0.00 C ATOM 1034 O ASP A 72 -8.442 -8.511 1.440 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.504 -11.377 0.697 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.529 -12.279 0.007 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.195 -12.840 -1.024 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.629 -12.394 0.521 1.00 0.00 O ATOM 0 H ASP A 72 -8.611 -11.434 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.229 -9.525 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.556 -11.903 0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.845 -11.123 1.701 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.990 -9.360 0.019 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.875 -8.559 0.606 1.00 0.00 C ATOM 1045 C ALA A 73 -5.892 -7.131 0.053 1.00 0.00 C ATOM 1046 O ALA A 73 -5.765 -6.177 0.795 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.537 -9.214 0.268 1.00 0.00 C ATOM 0 H ALA A 73 -6.727 -9.965 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.006 -8.523 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.726 -8.627 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.512 -10.223 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.418 -9.260 -0.814 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.023 -6.975 -1.243 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.016 -5.602 -1.836 1.00 0.00 C ATOM 1055 C LEU A 74 -7.194 -4.779 -1.307 1.00 0.00 C ATOM 1056 O LEU A 74 -7.027 -3.633 -0.935 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.075 -5.685 -3.366 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.334 -6.424 -3.821 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.459 -5.414 -4.083 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.029 -7.185 -5.113 1.00 0.00 C ATOM 0 H LEU A 74 -6.134 -7.736 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.090 -5.107 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.064 -4.681 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.190 -6.199 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.647 -7.121 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.355 -5.943 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.674 -4.863 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.148 -4.717 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.923 -7.714 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.718 -6.481 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.228 -7.902 -4.932 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.378 -5.342 -1.270 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.549 -4.566 -0.762 1.00 0.00 C ATOM 1074 C ASN A 75 -9.406 -4.379 0.751 1.00 0.00 C ATOM 1075 O ASN A 75 -9.920 -3.432 1.314 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.864 -5.287 -1.094 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.893 -6.670 -0.445 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.870 -7.200 -0.081 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.036 -7.278 -0.284 1.00 0.00 N ATOM 0 H ASN A 75 -8.582 -6.296 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.573 -3.591 -1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.709 -4.696 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.970 -5.383 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.066 -8.201 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.899 -6.830 -0.591 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.689 -5.263 1.413 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.492 -5.115 2.886 1.00 0.00 C ATOM 1088 C ALA A 76 -7.748 -3.803 3.147 1.00 0.00 C ATOM 1089 O ALA A 76 -8.267 -2.898 3.773 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.670 -6.297 3.417 1.00 0.00 C ATOM 0 H ALA A 76 -8.236 -6.075 0.994 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.456 -5.102 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.527 -6.187 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.199 -7.228 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.699 -6.316 2.922 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.540 -3.690 2.654 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.763 -2.433 2.854 1.00 0.00 C ATOM 1098 C LEU A 77 -6.489 -1.266 2.174 1.00 0.00 C ATOM 1099 O LEU A 77 -6.292 -0.120 2.527 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.369 -2.589 2.243 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.709 -3.875 2.773 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.504 -4.869 1.624 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.355 -3.536 3.397 1.00 0.00 C ATOM 0 H LEU A 77 -6.060 -4.416 2.122 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.672 -2.232 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.440 -2.627 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.754 -1.724 2.492 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.357 -4.324 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.037 -5.776 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.469 -5.117 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.861 -4.422 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.889 -4.447 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.711 -3.082 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.499 -2.837 4.221 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.324 -1.544 1.197 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.057 -0.450 0.495 1.00 0.00 C ATOM 1117 C GLU A 78 -8.943 0.311 1.494 1.00 0.00 C ATOM 1118 O GLU A 78 -8.879 1.525 1.581 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.926 -1.056 -0.616 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.665 0.054 -1.378 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.132 -0.342 -1.575 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.913 -0.111 -0.667 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.447 -0.869 -2.629 1.00 0.00 O ATOM 0 H GLU A 78 -7.526 -2.485 0.859 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.341 0.246 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.303 -1.627 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.646 -1.752 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.603 0.991 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.191 0.222 -2.345 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.769 -0.383 2.240 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.655 0.315 3.221 1.00 0.00 C ATOM 1132 C GLU A 79 -9.798 0.988 4.300 1.00 0.00 C ATOM 1133 O GLU A 79 -10.175 2.000 4.859 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.640 -0.690 3.854 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.908 -1.666 4.791 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.377 -3.106 4.536 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.446 -3.276 3.970 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.658 -4.013 4.917 1.00 0.00 O ATOM 0 H GLU A 79 -9.867 -1.398 2.212 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.234 1.081 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.406 -0.151 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.150 -1.248 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.832 -1.594 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.097 -1.394 5.829 1.00 0.00 H new ATOM 1145 N THR A 80 -8.646 0.434 4.590 1.00 0.00 N ATOM 1146 CA THR A 80 -7.758 1.043 5.626 1.00 0.00 C ATOM 1147 C THR A 80 -7.266 2.402 5.123 1.00 0.00 C ATOM 1148 O THR A 80 -7.078 3.329 5.889 1.00 0.00 O ATOM 1149 CB THR A 80 -6.559 0.125 5.875 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.024 -1.178 6.204 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.720 0.675 7.029 1.00 0.00 C ATOM 0 H THR A 80 -8.283 -0.414 4.153 1.00 0.00 H new ATOM 0 HA THR A 80 -8.311 1.172 6.556 1.00 0.00 H new ATOM 0 HB THR A 80 -5.945 0.078 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.307 -1.640 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.867 0.019 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.364 1.674 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.330 0.725 7.931 1.00 0.00 H new ATOM 1159 N MET A 81 -7.062 2.520 3.837 1.00 0.00 N ATOM 1160 CA MET A 81 -6.586 3.809 3.257 1.00 0.00 C ATOM 1161 C MET A 81 -7.716 4.842 3.300 1.00 0.00 C ATOM 1162 O MET A 81 -7.476 6.033 3.366 1.00 0.00 O ATOM 1163 CB MET A 81 -6.160 3.578 1.805 1.00 0.00 C ATOM 1164 CG MET A 81 -4.680 3.188 1.761 1.00 0.00 C ATOM 1165 SD MET A 81 -3.666 4.667 1.508 1.00 0.00 S ATOM 1166 CE MET A 81 -2.053 3.855 1.604 1.00 0.00 C ATOM 0 H MET A 81 -7.206 1.772 3.159 1.00 0.00 H new ATOM 0 HA MET A 81 -5.739 4.179 3.835 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.767 2.791 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.326 4.481 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.396 2.695 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.506 2.474 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.421 4.385 2.317 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.184 2.824 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.581 3.867 0.622 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.945 4.393 3.252 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.099 5.340 3.281 1.00 0.00 C ATOM 1178 C LYS A 82 -10.492 5.663 4.729 1.00 0.00 C ATOM 1179 O LYS A 82 -11.162 6.646 4.985 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.290 4.703 2.562 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.142 4.898 1.053 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.723 3.688 0.321 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.139 4.098 -1.094 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.041 2.919 -2.001 1.00 0.00 N ATOM 0 H LYS A 82 -9.199 3.407 3.194 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.811 6.265 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.344 3.640 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.220 5.154 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.657 5.806 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.091 5.023 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.985 2.887 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.583 3.299 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.159 4.482 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.498 4.902 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.662 3.061 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.059 2.810 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.334 2.062 -1.489 1.00 0.00 H new ATOM 1198 N SER A 83 -10.090 4.847 5.674 1.00 0.00 N ATOM 1199 CA SER A 83 -10.450 5.112 7.099 1.00 0.00 C ATOM 1200 C SER A 83 -9.610 6.274 7.634 1.00 0.00 C ATOM 1201 O SER A 83 -10.125 7.338 7.923 1.00 0.00 O ATOM 1202 CB SER A 83 -10.182 3.861 7.935 1.00 0.00 C ATOM 1203 OG SER A 83 -9.006 3.219 7.457 1.00 0.00 O ATOM 0 H SER A 83 -9.528 4.010 5.518 1.00 0.00 H new ATOM 0 HA SER A 83 -11.507 5.371 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.062 4.130 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.032 3.181 7.875 1.00 0.00 H new ATOM 0 HG SER A 83 -8.540 3.813 6.832 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.324 6.075 7.771 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.445 7.163 8.292 1.00 0.00 C ATOM 1211 C GLU A 84 -7.462 8.348 7.323 1.00 0.00 C ATOM 1212 O GLU A 84 -7.273 9.483 7.719 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.013 6.639 8.429 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.877 5.863 9.739 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.432 5.947 10.235 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.954 7.054 10.421 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -3.828 4.904 10.422 1.00 0.00 O ATOM 0 H GLU A 84 -7.845 5.204 7.544 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.811 7.487 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.768 5.994 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.307 7.469 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.554 6.273 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.161 4.821 9.588 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.679 8.093 6.058 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.703 9.200 5.058 1.00 0.00 C ATOM 1226 C GLY A 85 -6.323 9.322 4.410 1.00 0.00 C ATOM 1227 O GLY A 85 -5.868 10.406 4.099 1.00 0.00 O ATOM 0 H GLY A 85 -7.841 7.162 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.459 9.003 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.975 10.138 5.542 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.658 8.214 4.211 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.303 8.247 3.588 1.00 0.00 C ATOM 1233 C LEU A 86 -4.437 8.343 2.067 1.00 0.00 C ATOM 1234 O LEU A 86 -3.815 9.176 1.434 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.546 6.970 3.955 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.242 6.971 5.453 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.609 5.638 5.844 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.270 8.109 5.778 1.00 0.00 C ATOM 0 H LEU A 86 -5.998 7.284 4.455 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.756 9.115 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.140 6.094 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.619 6.907 3.385 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.168 7.113 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.392 5.638 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.299 4.826 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.684 5.497 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.054 8.109 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.344 7.967 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.719 9.062 5.499 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.242 7.496 1.478 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.421 7.532 -0.004 1.00 0.00 C ATOM 1252 C GLY A 87 -6.698 6.783 -0.387 1.00 0.00 C ATOM 1253 O GLY A 87 -7.408 6.276 0.461 1.00 0.00 O ATOM 0 H GLY A 87 -5.784 6.780 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.476 8.565 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.560 7.078 -0.495 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.995 6.714 -1.660 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.224 6.003 -2.112 1.00 0.00 C ATOM 1259 C GLU A 88 -7.979 5.386 -3.490 1.00 0.00 C ATOM 1260 O GLU A 88 -7.334 6.032 -4.300 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.385 6.996 -2.196 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.977 8.191 -3.060 1.00 0.00 C ATOM 1263 CD GLU A 88 -10.072 9.258 -3.004 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -11.190 8.953 -3.385 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.773 10.363 -2.580 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.442 4.280 -3.714 1.00 0.00 O ATOM 0 H GLU A 88 -6.434 7.123 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.471 5.215 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.263 6.510 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.661 7.334 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.033 8.604 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.818 7.871 -4.090 1.00 0.00 H new TER 1273 GLU A 88