USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 50 GLN : amide:sc= -0.385 X(o=-0.68,f=-0.95) USER MOD Set 1.2: A 81 MET CE :methyl -139:sc= -0.298 (180deg=-1.82!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.263 (180deg=0.234) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.19) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00479) USER MOD Single : A 35 CYS SG : rot -129:sc= -0.18 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -89:sc= 0.556 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -144:sc= -1.58 (180deg=-2.78!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.17! C(o=-2.2!,f=-7.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 58 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.64) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.123 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 80 MET CE :methyl 161:sc= -5.03! (180deg=-6.41!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 89.292 5.561 -5.790 1.00 0.00 N ATOM 2 CA MET A 1 87.851 5.216 -5.959 1.00 0.00 C ATOM 3 C MET A 1 87.491 4.007 -5.093 1.00 0.00 C ATOM 4 O MET A 1 87.456 2.886 -5.560 1.00 0.00 O ATOM 5 CB MET A 1 87.696 4.877 -7.442 1.00 0.00 C ATOM 6 CG MET A 1 87.041 6.052 -8.170 1.00 0.00 C ATOM 7 SD MET A 1 88.235 7.402 -8.334 1.00 0.00 S ATOM 8 CE MET A 1 87.037 8.736 -8.574 1.00 0.00 C ATOM 0 H1 MET A 1 89.566 6.268 -6.502 1.00 0.00 H new ATOM 0 H2 MET A 1 89.446 5.951 -4.838 1.00 0.00 H new ATOM 0 H3 MET A 1 89.870 4.705 -5.912 1.00 0.00 H new ATOM 0 HA MET A 1 87.194 6.031 -5.656 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.671 4.662 -7.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.089 3.979 -7.559 1.00 0.00 H new ATOM 0 HG2 MET A 1 86.695 5.737 -9.154 1.00 0.00 H new ATOM 0 HG3 MET A 1 86.165 6.392 -7.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 87.565 9.681 -8.699 1.00 0.00 H new ATOM 0 HE2 MET A 1 86.440 8.533 -9.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 86.383 8.798 -7.704 1.00 0.00 H new ATOM 20 N ASP A 2 87.225 4.223 -3.834 1.00 0.00 N ATOM 21 CA ASP A 2 86.869 3.082 -2.943 1.00 0.00 C ATOM 22 C ASP A 2 86.213 3.594 -1.658 1.00 0.00 C ATOM 23 O ASP A 2 86.762 4.419 -0.955 1.00 0.00 O ATOM 24 CB ASP A 2 88.198 2.395 -2.629 1.00 0.00 C ATOM 25 CG ASP A 2 88.010 1.436 -1.452 1.00 0.00 C ATOM 26 OD1 ASP A 2 86.885 1.019 -1.226 1.00 0.00 O ATOM 27 OD2 ASP A 2 88.993 1.133 -0.797 1.00 0.00 O ATOM 0 H ASP A 2 87.239 5.138 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 2 86.158 2.401 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 2 88.553 1.850 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.957 3.140 -2.388 1.00 0.00 H new ATOM 32 N ASP A 3 85.043 3.109 -1.345 1.00 0.00 N ATOM 33 CA ASP A 3 84.352 3.564 -0.104 1.00 0.00 C ATOM 34 C ASP A 3 84.315 2.429 0.923 1.00 0.00 C ATOM 35 O ASP A 3 84.984 1.426 0.778 1.00 0.00 O ATOM 36 CB ASP A 3 82.938 3.931 -0.551 1.00 0.00 C ATOM 37 CG ASP A 3 82.301 2.738 -1.264 1.00 0.00 C ATOM 38 OD1 ASP A 3 81.840 1.839 -0.578 1.00 0.00 O ATOM 39 OD2 ASP A 3 82.285 2.741 -2.483 1.00 0.00 O ATOM 0 H ASP A 3 84.535 2.417 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 3 84.859 4.405 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 3 82.336 4.217 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 3 82.968 4.793 -1.218 1.00 0.00 H new ATOM 44 N ILE A 4 83.539 2.580 1.961 1.00 0.00 N ATOM 45 CA ILE A 4 83.461 1.509 2.996 1.00 0.00 C ATOM 46 C ILE A 4 82.164 0.712 2.834 1.00 0.00 C ATOM 47 O ILE A 4 82.095 -0.455 3.165 1.00 0.00 O ATOM 48 CB ILE A 4 83.473 2.250 4.331 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.120 2.934 4.548 1.00 0.00 C ATOM 50 CG2 ILE A 4 84.577 3.307 4.319 1.00 0.00 C ATOM 51 CD1 ILE A 4 82.111 3.629 5.910 1.00 0.00 C ATOM 0 H ILE A 4 82.956 3.398 2.138 1.00 0.00 H new ATOM 0 HA ILE A 4 84.282 0.797 2.918 1.00 0.00 H new ATOM 0 HB ILE A 4 83.657 1.539 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 4 81.937 3.660 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.317 2.199 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 4 84.585 3.836 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 4 85.542 2.824 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.393 4.016 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 4 81.148 4.116 6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 4 82.275 2.892 6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 4 82.904 4.376 5.943 1.00 0.00 H new ATOM 63 N TYR A 5 81.138 1.336 2.327 1.00 0.00 N ATOM 64 CA TYR A 5 79.845 0.618 2.143 1.00 0.00 C ATOM 65 C TYR A 5 80.014 -0.527 1.140 1.00 0.00 C ATOM 66 O TYR A 5 79.296 -1.506 1.177 1.00 0.00 O ATOM 67 CB TYR A 5 78.883 1.674 1.599 1.00 0.00 C ATOM 68 CG TYR A 5 78.810 2.830 2.569 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.075 2.703 3.754 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.475 4.028 2.282 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.005 3.774 4.652 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.405 5.100 3.182 1.00 0.00 C ATOM 73 CZ TYR A 5 78.669 4.973 4.366 1.00 0.00 C ATOM 74 OH TYR A 5 78.601 6.028 5.251 1.00 0.00 O ATOM 0 H TYR A 5 81.138 2.312 2.032 1.00 0.00 H new ATOM 0 HA TYR A 5 79.481 0.174 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.222 2.023 0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.893 1.241 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.562 1.779 3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.042 4.126 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.438 3.676 5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 5 79.919 6.024 2.962 1.00 0.00 H new ATOM 0 HH TYR A 5 79.118 6.783 4.900 1.00 0.00 H new ATOM 84 N LYS A 6 80.960 -0.412 0.249 1.00 0.00 N ATOM 85 CA LYS A 6 81.172 -1.500 -0.748 1.00 0.00 C ATOM 86 C LYS A 6 81.188 -2.856 -0.040 1.00 0.00 C ATOM 87 O LYS A 6 80.896 -3.878 -0.627 1.00 0.00 O ATOM 88 CB LYS A 6 82.535 -1.206 -1.375 1.00 0.00 C ATOM 89 CG LYS A 6 82.896 -2.323 -2.357 1.00 0.00 C ATOM 90 CD LYS A 6 82.722 -1.818 -3.790 1.00 0.00 C ATOM 91 CE LYS A 6 84.037 -1.985 -4.553 1.00 0.00 C ATOM 92 NZ LYS A 6 83.964 -3.347 -5.152 1.00 0.00 N ATOM 0 H LYS A 6 81.593 0.384 0.168 1.00 0.00 H new ATOM 0 HA LYS A 6 80.382 -1.537 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.510 -0.247 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.296 -1.130 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 6 83.925 -2.645 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 6 82.260 -3.191 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 6 81.927 -2.373 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 6 82.423 -0.770 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 84.147 -1.221 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 6 84.895 -1.892 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 84.832 -3.536 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 83.867 -4.054 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 83.142 -3.403 -5.787 1.00 0.00 H new ATOM 106 N ALA A 7 81.525 -2.867 1.220 1.00 0.00 N ATOM 107 CA ALA A 7 81.558 -4.153 1.971 1.00 0.00 C ATOM 108 C ALA A 7 80.132 -4.599 2.310 1.00 0.00 C ATOM 109 O ALA A 7 79.894 -5.737 2.658 1.00 0.00 O ATOM 110 CB ALA A 7 82.344 -3.847 3.246 1.00 0.00 C ATOM 0 H ALA A 7 81.779 -2.041 1.762 1.00 0.00 H new ATOM 0 HA ALA A 7 82.015 -4.958 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.413 -4.748 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.346 -3.509 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 7 81.834 -3.066 3.809 1.00 0.00 H new ATOM 116 N ALA A 8 79.182 -3.708 2.207 1.00 0.00 N ATOM 117 CA ALA A 8 77.772 -4.082 2.521 1.00 0.00 C ATOM 118 C ALA A 8 77.335 -5.255 1.643 1.00 0.00 C ATOM 119 O ALA A 8 76.740 -6.206 2.109 1.00 0.00 O ATOM 120 CB ALA A 8 76.946 -2.835 2.198 1.00 0.00 C ATOM 0 H ALA A 8 79.321 -2.739 1.920 1.00 0.00 H new ATOM 0 HA ALA A 8 77.648 -4.393 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 8 75.894 -3.032 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.287 -2.003 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.068 -2.580 1.145 1.00 0.00 H new ATOM 126 N VAL A 9 77.625 -5.193 0.372 1.00 0.00 N ATOM 127 CA VAL A 9 77.225 -6.302 -0.540 1.00 0.00 C ATOM 128 C VAL A 9 78.301 -7.392 -0.558 1.00 0.00 C ATOM 129 O VAL A 9 78.027 -8.543 -0.837 1.00 0.00 O ATOM 130 CB VAL A 9 77.099 -5.650 -1.917 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.803 -6.722 -2.966 1.00 0.00 C ATOM 132 CG2 VAL A 9 75.960 -4.629 -1.896 1.00 0.00 C ATOM 0 H VAL A 9 78.122 -4.422 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 9 76.298 -6.781 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 9 78.034 -5.147 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.713 -6.256 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.615 -7.449 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.869 -7.226 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 9 75.870 -4.164 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.026 -5.131 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.172 -3.863 -1.150 1.00 0.00 H new ATOM 142 N GLU A 10 79.524 -7.040 -0.269 1.00 0.00 N ATOM 143 CA GLU A 10 80.615 -8.059 -0.277 1.00 0.00 C ATOM 144 C GLU A 10 80.215 -9.277 0.561 1.00 0.00 C ATOM 145 O GLU A 10 80.643 -10.385 0.305 1.00 0.00 O ATOM 146 CB GLU A 10 81.823 -7.356 0.342 1.00 0.00 C ATOM 147 CG GLU A 10 83.102 -8.094 -0.059 1.00 0.00 C ATOM 148 CD GLU A 10 83.959 -8.346 1.183 1.00 0.00 C ATOM 149 OE1 GLU A 10 84.763 -7.487 1.508 1.00 0.00 O ATOM 150 OE2 GLU A 10 83.799 -9.393 1.787 1.00 0.00 O ATOM 0 H GLU A 10 79.816 -6.093 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 10 80.827 -8.424 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.867 -6.320 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.728 -7.334 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.853 -9.040 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.661 -7.505 -0.786 1.00 0.00 H new ATOM 157 N GLN A 11 79.399 -9.083 1.561 1.00 0.00 N ATOM 158 CA GLN A 11 78.978 -10.232 2.413 1.00 0.00 C ATOM 159 C GLN A 11 77.841 -11.004 1.738 1.00 0.00 C ATOM 160 O GLN A 11 77.752 -12.212 1.840 1.00 0.00 O ATOM 161 CB GLN A 11 78.492 -9.601 3.718 1.00 0.00 C ATOM 162 CG GLN A 11 79.624 -9.623 4.747 1.00 0.00 C ATOM 163 CD GLN A 11 80.583 -8.464 4.475 1.00 0.00 C ATOM 164 OE1 GLN A 11 80.360 -7.357 4.923 1.00 0.00 O ATOM 165 NE2 GLN A 11 81.651 -8.673 3.754 1.00 0.00 N ATOM 0 H GLN A 11 79.006 -8.180 1.825 1.00 0.00 H new ATOM 0 HA GLN A 11 79.790 -10.940 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.168 -8.576 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.629 -10.147 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 11 79.216 -9.542 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.159 -10.571 4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.838 -9.602 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.298 -7.907 3.567 1.00 0.00 H new ATOM 174 N LEU A 12 76.969 -10.317 1.054 1.00 0.00 N ATOM 175 CA LEU A 12 75.836 -11.012 0.377 1.00 0.00 C ATOM 176 C LEU A 12 76.350 -11.860 -0.789 1.00 0.00 C ATOM 177 O LEU A 12 77.534 -11.912 -1.057 1.00 0.00 O ATOM 178 CB LEU A 12 74.933 -9.890 -0.133 1.00 0.00 C ATOM 179 CG LEU A 12 74.364 -9.113 1.055 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.517 -7.947 0.545 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.493 -10.045 1.900 1.00 0.00 C ATOM 0 H LEU A 12 76.991 -9.304 0.934 1.00 0.00 H new ATOM 0 HA LEU A 12 75.308 -11.689 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.498 -9.221 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.122 -10.305 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 12 75.182 -8.727 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.112 -7.394 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.137 -7.284 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.698 -8.331 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.086 -9.494 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.675 -10.430 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.097 -10.876 2.264 1.00 0.00 H new ATOM 193 N THR A 13 75.468 -12.526 -1.483 1.00 0.00 N ATOM 194 CA THR A 13 75.903 -13.369 -2.632 1.00 0.00 C ATOM 195 C THR A 13 75.150 -12.964 -3.902 1.00 0.00 C ATOM 196 O THR A 13 74.294 -12.101 -3.879 1.00 0.00 O ATOM 197 CB THR A 13 75.547 -14.803 -2.229 1.00 0.00 C ATOM 198 OG1 THR A 13 74.591 -14.773 -1.178 1.00 0.00 O ATOM 199 CG2 THR A 13 76.807 -15.529 -1.756 1.00 0.00 C ATOM 0 H THR A 13 74.464 -12.523 -1.304 1.00 0.00 H new ATOM 0 HA THR A 13 76.966 -13.258 -2.846 1.00 0.00 H new ATOM 0 HB THR A 13 75.128 -15.330 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.360 -15.690 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.553 -16.549 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.539 -15.550 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.228 -15.005 -0.898 1.00 0.00 H new ATOM 207 N GLU A 14 75.461 -13.580 -5.010 1.00 0.00 N ATOM 208 CA GLU A 14 74.762 -13.228 -6.279 1.00 0.00 C ATOM 209 C GLU A 14 73.257 -13.473 -6.145 1.00 0.00 C ATOM 210 O GLU A 14 72.448 -12.713 -6.639 1.00 0.00 O ATOM 211 CB GLU A 14 75.365 -14.156 -7.335 1.00 0.00 C ATOM 212 CG GLU A 14 75.639 -13.364 -8.615 1.00 0.00 C ATOM 213 CD GLU A 14 77.079 -13.606 -9.069 1.00 0.00 C ATOM 214 OE1 GLU A 14 77.308 -14.593 -9.749 1.00 0.00 O ATOM 215 OE2 GLU A 14 77.930 -12.801 -8.727 1.00 0.00 O ATOM 0 H GLU A 14 76.168 -14.311 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 14 74.888 -12.177 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 14 76.290 -14.596 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.682 -14.979 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 14 74.944 -13.667 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 14 75.476 -12.301 -8.439 1.00 0.00 H new ATOM 222 N GLU A 15 72.874 -14.530 -5.482 1.00 0.00 N ATOM 223 CA GLU A 15 71.421 -14.821 -5.320 1.00 0.00 C ATOM 224 C GLU A 15 70.724 -13.660 -4.604 1.00 0.00 C ATOM 225 O GLU A 15 69.661 -13.223 -4.997 1.00 0.00 O ATOM 226 CB GLU A 15 71.362 -16.090 -4.468 1.00 0.00 C ATOM 227 CG GLU A 15 70.030 -16.806 -4.707 1.00 0.00 C ATOM 228 CD GLU A 15 70.041 -18.157 -3.989 1.00 0.00 C ATOM 229 OE1 GLU A 15 69.681 -18.189 -2.824 1.00 0.00 O ATOM 230 OE2 GLU A 15 70.408 -19.136 -4.616 1.00 0.00 O ATOM 0 H GLU A 15 73.503 -15.204 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 15 70.918 -14.950 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 15 72.192 -16.750 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.467 -15.837 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 15 69.205 -16.194 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 69.870 -16.951 -5.775 1.00 0.00 H new ATOM 237 N GLN A 16 71.314 -13.158 -3.554 1.00 0.00 N ATOM 238 CA GLN A 16 70.683 -12.026 -2.814 1.00 0.00 C ATOM 239 C GLN A 16 70.637 -10.776 -3.697 1.00 0.00 C ATOM 240 O GLN A 16 69.637 -10.089 -3.767 1.00 0.00 O ATOM 241 CB GLN A 16 71.584 -11.794 -1.602 1.00 0.00 C ATOM 242 CG GLN A 16 71.332 -12.890 -0.564 1.00 0.00 C ATOM 243 CD GLN A 16 70.526 -12.314 0.603 1.00 0.00 C ATOM 244 OE1 GLN A 16 70.533 -11.121 0.830 1.00 0.00 O ATOM 245 NE2 GLN A 16 69.827 -13.117 1.357 1.00 0.00 N ATOM 0 H GLN A 16 72.204 -13.481 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 16 69.656 -12.245 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.631 -11.800 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.384 -10.814 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 16 70.790 -13.719 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.280 -13.289 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 16 69.821 -14.119 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 16 69.287 -12.743 2.137 1.00 0.00 H new ATOM 254 N LYS A 17 71.712 -10.475 -4.373 1.00 0.00 N ATOM 255 CA LYS A 17 71.728 -9.269 -5.251 1.00 0.00 C ATOM 256 C LYS A 17 70.493 -9.258 -6.157 1.00 0.00 C ATOM 257 O LYS A 17 69.844 -8.244 -6.324 1.00 0.00 O ATOM 258 CB LYS A 17 73.002 -9.404 -6.086 1.00 0.00 C ATOM 259 CG LYS A 17 74.199 -8.910 -5.272 1.00 0.00 C ATOM 260 CD LYS A 17 75.479 -9.565 -5.796 1.00 0.00 C ATOM 261 CE LYS A 17 76.341 -8.511 -6.497 1.00 0.00 C ATOM 262 NZ LYS A 17 77.463 -9.277 -7.108 1.00 0.00 N ATOM 0 H LYS A 17 72.580 -11.011 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 17 71.711 -8.342 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.151 -10.444 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.910 -8.826 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 17 74.278 -7.825 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.060 -9.151 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 17 76.034 -10.015 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 75.232 -10.368 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.770 -7.974 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 17 76.709 -7.768 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 78.099 -8.623 -7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 77.992 -9.772 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 77.083 -9.972 -7.782 1.00 0.00 H new ATOM 276 N ASN A 18 70.166 -10.376 -6.743 1.00 0.00 N ATOM 277 CA ASN A 18 68.975 -10.429 -7.638 1.00 0.00 C ATOM 278 C ASN A 18 67.688 -10.291 -6.820 1.00 0.00 C ATOM 279 O ASN A 18 66.726 -9.690 -7.254 1.00 0.00 O ATOM 280 CB ASN A 18 69.042 -11.804 -8.304 1.00 0.00 C ATOM 281 CG ASN A 18 69.964 -11.738 -9.522 1.00 0.00 C ATOM 282 OD1 ASN A 18 70.288 -10.667 -9.996 1.00 0.00 O ATOM 283 ND2 ASN A 18 70.404 -12.846 -10.053 1.00 0.00 N ATOM 0 H ASN A 18 70.672 -11.256 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 18 68.973 -9.620 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 18 69.411 -12.545 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 18 68.044 -12.122 -8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.020 -12.813 -10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 18 70.132 -13.745 -9.655 1.00 0.00 H new ATOM 290 N GLU A 19 67.664 -10.844 -5.638 1.00 0.00 N ATOM 291 CA GLU A 19 66.439 -10.744 -4.794 1.00 0.00 C ATOM 292 C GLU A 19 66.158 -9.282 -4.441 1.00 0.00 C ATOM 293 O GLU A 19 65.057 -8.795 -4.603 1.00 0.00 O ATOM 294 CB GLU A 19 66.760 -11.548 -3.533 1.00 0.00 C ATOM 295 CG GLU A 19 65.459 -12.043 -2.899 1.00 0.00 C ATOM 296 CD GLU A 19 65.467 -13.571 -2.839 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.545 -14.135 -2.749 1.00 0.00 O ATOM 298 OE2 GLU A 19 64.395 -14.153 -2.883 1.00 0.00 O ATOM 0 H GLU A 19 68.438 -11.360 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 19 65.554 -11.123 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 19 67.401 -12.394 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 67.310 -10.929 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 19 65.351 -11.630 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.604 -11.696 -3.480 1.00 0.00 H new ATOM 305 N PHE A 20 67.146 -8.578 -3.958 1.00 0.00 N ATOM 306 CA PHE A 20 66.934 -7.147 -3.593 1.00 0.00 C ATOM 307 C PHE A 20 66.567 -6.329 -4.836 1.00 0.00 C ATOM 308 O PHE A 20 65.775 -5.409 -4.772 1.00 0.00 O ATOM 309 CB PHE A 20 68.275 -6.683 -3.025 1.00 0.00 C ATOM 310 CG PHE A 20 68.119 -6.368 -1.557 1.00 0.00 C ATOM 311 CD1 PHE A 20 67.059 -5.562 -1.123 1.00 0.00 C ATOM 312 CD2 PHE A 20 69.033 -6.882 -0.629 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.914 -5.270 0.237 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.887 -6.589 0.732 1.00 0.00 C ATOM 315 CZ PHE A 20 67.827 -5.783 1.166 1.00 0.00 C ATOM 0 H PHE A 20 68.090 -8.931 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 20 66.120 -7.020 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 20 69.028 -7.459 -3.163 1.00 0.00 H new ATOM 0 HB3 PHE A 20 68.624 -5.801 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 20 66.354 -5.166 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.850 -7.504 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 20 66.097 -4.648 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.592 -6.985 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.714 -5.558 2.216 1.00 0.00 H new ATOM 325 N LYS A 21 67.136 -6.655 -5.963 1.00 0.00 N ATOM 326 CA LYS A 21 66.821 -5.893 -7.206 1.00 0.00 C ATOM 327 C LYS A 21 65.322 -5.968 -7.509 1.00 0.00 C ATOM 328 O LYS A 21 64.680 -4.968 -7.764 1.00 0.00 O ATOM 329 CB LYS A 21 67.625 -6.583 -8.309 1.00 0.00 C ATOM 330 CG LYS A 21 67.870 -5.599 -9.455 1.00 0.00 C ATOM 331 CD LYS A 21 69.165 -5.972 -10.179 1.00 0.00 C ATOM 332 CE LYS A 21 69.460 -4.934 -11.264 1.00 0.00 C ATOM 333 NZ LYS A 21 68.666 -5.375 -12.445 1.00 0.00 N ATOM 0 H LYS A 21 67.806 -7.416 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 21 67.074 -4.837 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.576 -6.939 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 21 67.085 -7.456 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.032 -5.620 -10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.937 -4.582 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 69.991 -6.017 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 69.073 -6.963 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 21 69.168 -3.934 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 21 70.524 -4.897 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 68.856 -4.741 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 68.934 -6.347 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 67.653 -5.346 -12.213 1.00 0.00 H new ATOM 347 N ALA A 22 64.761 -7.145 -7.486 1.00 0.00 N ATOM 348 CA ALA A 22 63.306 -7.284 -7.776 1.00 0.00 C ATOM 349 C ALA A 22 62.496 -6.284 -6.945 1.00 0.00 C ATOM 350 O ALA A 22 61.954 -5.328 -7.463 1.00 0.00 O ATOM 351 CB ALA A 22 62.960 -8.718 -7.373 1.00 0.00 C ATOM 0 H ALA A 22 65.247 -8.017 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 22 63.075 -7.084 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.901 -8.902 -7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.557 -9.415 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 22 63.175 -8.860 -6.314 1.00 0.00 H new ATOM 357 N ALA A 23 62.406 -6.503 -5.662 1.00 0.00 N ATOM 358 CA ALA A 23 61.625 -5.572 -4.794 1.00 0.00 C ATOM 359 C ALA A 23 61.884 -4.113 -5.190 1.00 0.00 C ATOM 360 O ALA A 23 60.968 -3.364 -5.462 1.00 0.00 O ATOM 361 CB ALA A 23 62.133 -5.839 -3.376 1.00 0.00 C ATOM 0 H ALA A 23 62.840 -7.287 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 23 60.551 -5.733 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.607 -5.192 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.952 -6.882 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.202 -5.634 -3.328 1.00 0.00 H new ATOM 367 N PHE A 24 63.119 -3.702 -5.212 1.00 0.00 N ATOM 368 CA PHE A 24 63.429 -2.288 -5.578 1.00 0.00 C ATOM 369 C PHE A 24 62.671 -1.872 -6.844 1.00 0.00 C ATOM 370 O PHE A 24 61.904 -0.929 -6.838 1.00 0.00 O ATOM 371 CB PHE A 24 64.936 -2.267 -5.828 1.00 0.00 C ATOM 372 CG PHE A 24 65.379 -0.851 -6.099 1.00 0.00 C ATOM 373 CD1 PHE A 24 65.050 0.169 -5.198 1.00 0.00 C ATOM 374 CD2 PHE A 24 66.114 -0.558 -7.253 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.459 1.484 -5.451 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.523 0.756 -7.506 1.00 0.00 C ATOM 377 CZ PHE A 24 66.195 1.777 -6.606 1.00 0.00 C ATOM 0 H PHE A 24 63.929 -4.281 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 24 63.130 -1.591 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.465 -2.666 -4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 24 65.184 -2.906 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.481 -0.058 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.365 -1.346 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.207 2.272 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.092 0.983 -8.396 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.510 2.791 -6.802 1.00 0.00 H new ATOM 387 N ASP A 25 62.890 -2.557 -7.932 1.00 0.00 N ATOM 388 CA ASP A 25 62.194 -2.193 -9.203 1.00 0.00 C ATOM 389 C ASP A 25 60.675 -2.144 -9.006 1.00 0.00 C ATOM 390 O ASP A 25 59.969 -1.490 -9.748 1.00 0.00 O ATOM 391 CB ASP A 25 62.567 -3.302 -10.188 1.00 0.00 C ATOM 392 CG ASP A 25 64.038 -3.160 -10.585 1.00 0.00 C ATOM 393 OD1 ASP A 25 64.833 -2.822 -9.723 1.00 0.00 O ATOM 394 OD2 ASP A 25 64.344 -3.393 -11.742 1.00 0.00 O ATOM 0 H ASP A 25 63.522 -3.355 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 25 62.491 -1.205 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 25 62.394 -4.278 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.933 -3.245 -11.073 1.00 0.00 H new ATOM 399 N ILE A 26 60.159 -2.832 -8.023 1.00 0.00 N ATOM 400 CA ILE A 26 58.682 -2.819 -7.804 1.00 0.00 C ATOM 401 C ILE A 26 58.236 -1.491 -7.181 1.00 0.00 C ATOM 402 O ILE A 26 57.076 -1.300 -6.876 1.00 0.00 O ATOM 403 CB ILE A 26 58.410 -3.979 -6.852 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.784 -5.291 -7.545 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.924 -3.995 -6.482 1.00 0.00 C ATOM 406 CD1 ILE A 26 58.192 -6.468 -6.773 1.00 0.00 C ATOM 0 H ILE A 26 60.692 -3.400 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 26 58.132 -2.921 -8.739 1.00 0.00 H new ATOM 0 HB ILE A 26 59.004 -3.863 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 26 58.412 -5.291 -8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.868 -5.388 -7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.727 -4.823 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.660 -3.056 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.326 -4.117 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.460 -7.401 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.586 -6.472 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 57.107 -6.373 -6.741 1.00 0.00 H new ATOM 418 N PHE A 27 59.142 -0.571 -6.991 1.00 0.00 N ATOM 419 CA PHE A 27 58.753 0.738 -6.390 1.00 0.00 C ATOM 420 C PHE A 27 59.463 1.887 -7.111 1.00 0.00 C ATOM 421 O PHE A 27 59.744 2.917 -6.530 1.00 0.00 O ATOM 422 CB PHE A 27 59.206 0.655 -4.933 1.00 0.00 C ATOM 423 CG PHE A 27 58.330 -0.326 -4.190 1.00 0.00 C ATOM 424 CD1 PHE A 27 58.651 -1.687 -4.188 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.197 0.129 -3.504 1.00 0.00 C ATOM 426 CE1 PHE A 27 57.839 -2.598 -3.501 1.00 0.00 C ATOM 427 CE2 PHE A 27 56.384 -0.781 -2.817 1.00 0.00 C ATOM 428 CZ PHE A 27 56.705 -2.145 -2.815 1.00 0.00 C ATOM 0 H PHE A 27 60.130 -0.667 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 27 57.683 0.928 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.248 0.340 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.147 1.638 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 27 59.526 -2.036 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.951 1.181 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 27 58.087 -3.649 -3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.509 -0.431 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 27 56.078 -2.847 -2.285 1.00 0.00 H new ATOM 438 N VAL A 28 59.754 1.719 -8.371 1.00 0.00 N ATOM 439 CA VAL A 28 60.446 2.803 -9.128 1.00 0.00 C ATOM 440 C VAL A 28 59.433 3.605 -9.950 1.00 0.00 C ATOM 441 O VAL A 28 59.766 4.194 -10.960 1.00 0.00 O ATOM 442 CB VAL A 28 61.425 2.078 -10.049 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.204 3.103 -10.875 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.402 1.256 -9.205 1.00 0.00 C ATOM 0 H VAL A 28 59.543 0.879 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 28 60.951 3.509 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 28 60.874 1.417 -10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.903 2.585 -11.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.509 3.691 -11.475 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.756 3.764 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.102 0.738 -9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 28 62.953 1.919 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 28 61.848 0.526 -8.615 1.00 0.00 H new ATOM 454 N LEU A 29 58.200 3.634 -9.526 1.00 0.00 N ATOM 455 CA LEU A 29 57.167 4.398 -10.284 1.00 0.00 C ATOM 456 C LEU A 29 57.366 5.904 -10.083 1.00 0.00 C ATOM 457 O LEU A 29 56.638 6.712 -10.624 1.00 0.00 O ATOM 458 CB LEU A 29 55.831 3.952 -9.691 1.00 0.00 C ATOM 459 CG LEU A 29 55.661 4.559 -8.297 1.00 0.00 C ATOM 460 CD1 LEU A 29 54.448 5.492 -8.289 1.00 0.00 C ATOM 461 CD2 LEU A 29 55.447 3.439 -7.277 1.00 0.00 C ATOM 0 H LEU A 29 57.862 3.162 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 29 57.221 4.211 -11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 29 55.012 4.266 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 55.792 2.864 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 29 56.556 5.124 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 29 54.328 5.924 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 54.598 6.290 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 29 53.553 4.927 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 29 55.326 3.870 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 29 54.552 2.874 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 29 56.310 2.774 -7.281 1.00 0.00 H new ATOM 473 N GLY A 30 58.343 6.286 -9.308 1.00 0.00 N ATOM 474 CA GLY A 30 58.584 7.737 -9.072 1.00 0.00 C ATOM 475 C GLY A 30 59.543 8.280 -10.132 1.00 0.00 C ATOM 476 O GLY A 30 59.193 9.138 -10.919 1.00 0.00 O ATOM 0 H GLY A 30 58.985 5.656 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 30 57.641 8.282 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.003 7.889 -8.077 1.00 0.00 H new ATOM 480 N ALA A 31 60.752 7.789 -10.161 1.00 0.00 N ATOM 481 CA ALA A 31 61.734 8.282 -11.169 1.00 0.00 C ATOM 482 C ALA A 31 61.749 7.357 -12.390 1.00 0.00 C ATOM 483 O ALA A 31 60.854 6.560 -12.588 1.00 0.00 O ATOM 484 CB ALA A 31 63.085 8.248 -10.456 1.00 0.00 C ATOM 0 H ALA A 31 61.102 7.068 -9.530 1.00 0.00 H new ATOM 0 HA ALA A 31 61.488 9.281 -11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 63.863 8.598 -11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 31 63.050 8.895 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.307 7.227 -10.145 1.00 0.00 H new ATOM 490 N GLU A 32 62.759 7.460 -13.208 1.00 0.00 N ATOM 491 CA GLU A 32 62.830 6.590 -14.417 1.00 0.00 C ATOM 492 C GLU A 32 64.190 5.886 -14.495 1.00 0.00 C ATOM 493 O GLU A 32 64.390 4.993 -15.294 1.00 0.00 O ATOM 494 CB GLU A 32 62.653 7.544 -15.599 1.00 0.00 C ATOM 495 CG GLU A 32 61.258 8.170 -15.544 1.00 0.00 C ATOM 496 CD GLU A 32 60.924 8.794 -16.899 1.00 0.00 C ATOM 497 OE1 GLU A 32 61.729 8.656 -17.806 1.00 0.00 O ATOM 498 OE2 GLU A 32 59.870 9.398 -17.008 1.00 0.00 O ATOM 0 H GLU A 32 63.538 8.108 -13.093 1.00 0.00 H new ATOM 0 HA GLU A 32 62.072 5.807 -14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 63.415 8.323 -15.568 1.00 0.00 H new ATOM 0 HB3 GLU A 32 62.785 7.006 -16.538 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.518 7.412 -15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 32 61.219 8.929 -14.763 1.00 0.00 H new ATOM 505 N ASP A 33 65.125 6.280 -13.673 1.00 0.00 N ATOM 506 CA ASP A 33 66.468 5.630 -13.707 1.00 0.00 C ATOM 507 C ASP A 33 66.543 4.518 -12.657 1.00 0.00 C ATOM 508 O ASP A 33 67.540 4.355 -11.982 1.00 0.00 O ATOM 509 CB ASP A 33 67.456 6.749 -13.377 1.00 0.00 C ATOM 510 CG ASP A 33 68.591 6.748 -14.403 1.00 0.00 C ATOM 511 OD1 ASP A 33 69.572 6.061 -14.170 1.00 0.00 O ATOM 512 OD2 ASP A 33 68.460 7.434 -15.402 1.00 0.00 O ATOM 0 H ASP A 33 65.018 7.022 -12.981 1.00 0.00 H new ATOM 0 HA ASP A 33 66.682 5.170 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 33 66.946 7.712 -13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 33 67.858 6.609 -12.374 1.00 0.00 H new ATOM 517 N GLY A 34 65.496 3.753 -12.514 1.00 0.00 N ATOM 518 CA GLY A 34 65.506 2.654 -11.508 1.00 0.00 C ATOM 519 C GLY A 34 65.561 3.250 -10.100 1.00 0.00 C ATOM 520 O GLY A 34 66.201 2.718 -9.214 1.00 0.00 O ATOM 0 H GLY A 34 64.633 3.842 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.614 2.038 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.365 2.004 -11.673 1.00 0.00 H new ATOM 524 N CYS A 35 64.892 4.349 -9.887 1.00 0.00 N ATOM 525 CA CYS A 35 64.904 4.979 -8.536 1.00 0.00 C ATOM 526 C CYS A 35 63.479 5.055 -7.978 1.00 0.00 C ATOM 527 O CYS A 35 62.528 5.255 -8.707 1.00 0.00 O ATOM 528 CB CYS A 35 65.472 6.381 -8.756 1.00 0.00 C ATOM 529 SG CYS A 35 67.001 6.268 -9.718 1.00 0.00 S ATOM 0 H CYS A 35 64.337 4.838 -10.589 1.00 0.00 H new ATOM 0 HA CYS A 35 65.496 4.410 -7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.745 7.001 -9.280 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.668 6.860 -7.797 1.00 0.00 H new ATOM 0 HG CYS A 35 67.945 6.925 -9.112 1.00 0.00 H new ATOM 535 N ILE A 36 63.325 4.894 -6.693 1.00 0.00 N ATOM 536 CA ILE A 36 61.960 4.955 -6.094 1.00 0.00 C ATOM 537 C ILE A 36 61.810 6.218 -5.242 1.00 0.00 C ATOM 538 O ILE A 36 62.773 6.894 -4.939 1.00 0.00 O ATOM 539 CB ILE A 36 61.855 3.705 -5.220 1.00 0.00 C ATOM 540 CG1 ILE A 36 62.810 3.832 -4.031 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.231 2.473 -6.044 1.00 0.00 C ATOM 542 CD1 ILE A 36 62.526 2.713 -3.027 1.00 0.00 C ATOM 0 H ILE A 36 64.083 4.723 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 36 61.178 4.990 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 36 60.833 3.602 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 36 63.843 3.775 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.686 4.804 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.156 1.582 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.552 2.381 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.253 2.577 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.206 2.803 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 36 61.497 2.791 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 62.672 1.746 -3.509 1.00 0.00 H new ATOM 554 N SER A 37 60.606 6.540 -4.852 1.00 0.00 N ATOM 555 CA SER A 37 60.391 7.757 -4.019 1.00 0.00 C ATOM 556 C SER A 37 60.663 7.440 -2.545 1.00 0.00 C ATOM 557 O SER A 37 60.337 6.375 -2.060 1.00 0.00 O ATOM 558 CB SER A 37 58.923 8.127 -4.225 1.00 0.00 C ATOM 559 OG SER A 37 58.806 9.539 -4.339 1.00 0.00 O ATOM 0 H SER A 37 59.762 6.012 -5.075 1.00 0.00 H new ATOM 0 HA SER A 37 61.058 8.572 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 58.537 7.645 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 58.324 7.767 -3.388 1.00 0.00 H new ATOM 0 HG SER A 37 57.865 9.780 -4.473 1.00 0.00 H new ATOM 565 N THR A 38 61.259 8.356 -1.831 1.00 0.00 N ATOM 566 CA THR A 38 61.551 8.102 -0.391 1.00 0.00 C ATOM 567 C THR A 38 60.276 7.674 0.341 1.00 0.00 C ATOM 568 O THR A 38 60.327 7.061 1.389 1.00 0.00 O ATOM 569 CB THR A 38 62.060 9.438 0.152 1.00 0.00 C ATOM 570 OG1 THR A 38 61.402 10.501 -0.522 1.00 0.00 O ATOM 571 CG2 THR A 38 63.569 9.540 -0.078 1.00 0.00 C ATOM 0 H THR A 38 61.556 9.267 -2.181 1.00 0.00 H new ATOM 0 HA THR A 38 62.279 7.302 -0.252 1.00 0.00 H new ATOM 0 HB THR A 38 61.853 9.502 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.910 10.744 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 38 63.932 10.492 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.072 8.723 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.779 9.478 -1.146 1.00 0.00 H new ATOM 579 N LYS A 39 59.133 7.993 -0.203 1.00 0.00 N ATOM 580 CA LYS A 39 57.856 7.602 0.463 1.00 0.00 C ATOM 581 C LYS A 39 57.513 6.148 0.133 1.00 0.00 C ATOM 582 O LYS A 39 56.576 5.585 0.662 1.00 0.00 O ATOM 583 CB LYS A 39 56.801 8.547 -0.113 1.00 0.00 C ATOM 584 CG LYS A 39 56.962 9.934 0.513 1.00 0.00 C ATOM 585 CD LYS A 39 56.260 9.966 1.872 1.00 0.00 C ATOM 586 CE LYS A 39 55.599 11.331 2.074 1.00 0.00 C ATOM 587 NZ LYS A 39 56.070 11.792 3.409 1.00 0.00 N ATOM 0 H LYS A 39 59.027 8.506 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 39 57.917 7.676 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.907 8.611 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 39 55.802 8.160 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.019 10.170 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.538 10.693 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 55.511 9.176 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 56.979 9.777 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.889 12.030 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 39 54.512 11.252 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.659 12.724 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 55.773 11.110 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 57.107 11.865 3.405 1.00 0.00 H new ATOM 601 N GLU A 40 58.268 5.535 -0.738 1.00 0.00 N ATOM 602 CA GLU A 40 57.987 4.117 -1.103 1.00 0.00 C ATOM 603 C GLU A 40 58.916 3.181 -0.325 1.00 0.00 C ATOM 604 O GLU A 40 58.548 2.078 0.029 1.00 0.00 O ATOM 605 CB GLU A 40 58.268 4.030 -2.603 1.00 0.00 C ATOM 606 CG GLU A 40 57.195 4.803 -3.370 1.00 0.00 C ATOM 607 CD GLU A 40 57.633 4.979 -4.825 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.773 4.664 -5.122 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.820 5.426 -5.617 1.00 0.00 O ATOM 0 H GLU A 40 59.067 5.955 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 40 56.965 3.822 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.254 4.440 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.278 2.988 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.246 4.268 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.033 5.777 -2.908 1.00 0.00 H new ATOM 616 N LEU A 41 60.117 3.613 -0.055 1.00 0.00 N ATOM 617 CA LEU A 41 61.069 2.749 0.700 1.00 0.00 C ATOM 618 C LEU A 41 60.396 2.205 1.963 1.00 0.00 C ATOM 619 O LEU A 41 60.786 1.185 2.496 1.00 0.00 O ATOM 620 CB LEU A 41 62.233 3.670 1.068 1.00 0.00 C ATOM 621 CG LEU A 41 63.555 2.933 0.852 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.695 3.731 1.487 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.479 1.550 1.503 1.00 0.00 C ATOM 0 H LEU A 41 60.481 4.527 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 41 61.399 1.889 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.204 4.572 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.146 3.986 2.108 1.00 0.00 H new ATOM 0 HG LEU A 41 63.739 2.824 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.637 3.205 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 64.750 4.717 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 41 64.511 3.840 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.421 1.023 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.295 1.661 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.667 0.980 1.052 1.00 0.00 H new ATOM 635 N GLY A 42 59.388 2.878 2.445 1.00 0.00 N ATOM 636 CA GLY A 42 58.692 2.400 3.673 1.00 0.00 C ATOM 637 C GLY A 42 58.121 1.003 3.425 1.00 0.00 C ATOM 638 O GLY A 42 58.583 0.026 3.979 1.00 0.00 O ATOM 0 H GLY A 42 59.016 3.738 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.387 2.376 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 42 57.891 3.089 3.942 1.00 0.00 H new ATOM 642 N LYS A 43 57.121 0.901 2.595 1.00 0.00 N ATOM 643 CA LYS A 43 56.521 -0.435 2.310 1.00 0.00 C ATOM 644 C LYS A 43 57.610 -1.419 1.877 1.00 0.00 C ATOM 645 O LYS A 43 57.553 -2.596 2.175 1.00 0.00 O ATOM 646 CB LYS A 43 55.534 -0.190 1.170 1.00 0.00 C ATOM 647 CG LYS A 43 54.186 0.247 1.747 1.00 0.00 C ATOM 648 CD LYS A 43 53.554 1.297 0.832 1.00 0.00 C ATOM 649 CE LYS A 43 52.275 1.835 1.479 1.00 0.00 C ATOM 650 NZ LYS A 43 51.872 2.989 0.628 1.00 0.00 N ATOM 0 H LYS A 43 56.692 1.684 2.101 1.00 0.00 H new ATOM 0 HA LYS A 43 56.033 -0.866 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 43 55.920 0.577 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.412 -1.098 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.524 -0.613 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.323 0.657 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.256 2.112 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.326 0.858 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 43 51.496 1.073 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.454 2.146 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 51.001 3.413 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.631 3.700 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 51.702 2.661 -0.344 1.00 0.00 H new ATOM 664 N VAL A 44 58.606 -0.947 1.177 1.00 0.00 N ATOM 665 CA VAL A 44 59.699 -1.854 0.727 1.00 0.00 C ATOM 666 C VAL A 44 60.507 -2.341 1.933 1.00 0.00 C ATOM 667 O VAL A 44 61.015 -3.444 1.947 1.00 0.00 O ATOM 668 CB VAL A 44 60.565 -0.994 -0.195 1.00 0.00 C ATOM 669 CG1 VAL A 44 61.933 -1.653 -0.376 1.00 0.00 C ATOM 670 CG2 VAL A 44 59.881 -0.863 -1.557 1.00 0.00 C ATOM 0 H VAL A 44 58.709 0.028 0.897 1.00 0.00 H new ATOM 0 HA VAL A 44 59.324 -2.743 0.220 1.00 0.00 H new ATOM 0 HB VAL A 44 60.694 -0.006 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.549 -1.039 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.422 -1.749 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.805 -2.641 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.496 -0.250 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.753 -1.852 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 44 58.906 -0.393 -1.431 1.00 0.00 H new ATOM 680 N MET A 45 60.626 -1.527 2.947 1.00 0.00 N ATOM 681 CA MET A 45 61.399 -1.946 4.152 1.00 0.00 C ATOM 682 C MET A 45 60.650 -3.053 4.900 1.00 0.00 C ATOM 683 O MET A 45 61.242 -3.985 5.405 1.00 0.00 O ATOM 684 CB MET A 45 61.501 -0.688 5.015 1.00 0.00 C ATOM 685 CG MET A 45 62.742 0.111 4.612 1.00 0.00 C ATOM 686 SD MET A 45 63.756 0.428 6.076 1.00 0.00 S ATOM 687 CE MET A 45 65.271 -0.362 5.479 1.00 0.00 C ATOM 0 H MET A 45 60.222 -0.591 2.993 1.00 0.00 H new ATOM 0 HA MET A 45 62.381 -2.344 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 45 60.607 -0.077 4.892 1.00 0.00 H new ATOM 0 HB3 MET A 45 61.558 -0.961 6.069 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.318 -0.442 3.870 1.00 0.00 H new ATOM 0 HG3 MET A 45 62.447 1.053 4.150 1.00 0.00 H new ATOM 0 HE1 MET A 45 65.777 -0.853 6.310 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.020 -1.102 4.719 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.929 0.392 5.048 1.00 0.00 H new ATOM 697 N ARG A 46 59.351 -2.955 4.973 1.00 0.00 N ATOM 698 CA ARG A 46 58.563 -4.001 5.688 1.00 0.00 C ATOM 699 C ARG A 46 58.364 -5.222 4.785 1.00 0.00 C ATOM 700 O ARG A 46 58.052 -6.302 5.245 1.00 0.00 O ATOM 701 CB ARG A 46 57.219 -3.340 6.001 1.00 0.00 C ATOM 702 CG ARG A 46 56.496 -3.007 4.694 1.00 0.00 C ATOM 703 CD ARG A 46 55.004 -2.809 4.970 1.00 0.00 C ATOM 704 NE ARG A 46 54.347 -2.934 3.639 1.00 0.00 N ATOM 705 CZ ARG A 46 53.046 -2.984 3.554 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.311 -2.334 4.416 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.480 -3.683 2.609 1.00 0.00 N ATOM 0 H ARG A 46 58.801 -2.197 4.569 1.00 0.00 H new ATOM 0 HA ARG A 46 59.064 -4.352 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.607 -4.007 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.375 -2.432 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 46 56.918 -2.104 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 46 56.639 -3.811 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 46 54.629 -3.558 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.811 -1.833 5.416 1.00 0.00 H new ATOM 0 HE ARG A 46 54.915 -2.981 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 46 52.754 -1.788 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 46 51.294 -2.372 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.055 -4.191 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 46 51.463 -3.722 2.543 1.00 0.00 H new ATOM 721 N MET A 47 58.542 -5.057 3.502 1.00 0.00 N ATOM 722 CA MET A 47 58.363 -6.207 2.571 1.00 0.00 C ATOM 723 C MET A 47 59.494 -7.223 2.760 1.00 0.00 C ATOM 724 O MET A 47 59.330 -8.401 2.510 1.00 0.00 O ATOM 725 CB MET A 47 58.421 -5.596 1.170 1.00 0.00 C ATOM 726 CG MET A 47 57.003 -5.462 0.613 1.00 0.00 C ATOM 727 SD MET A 47 56.629 -6.889 -0.435 1.00 0.00 S ATOM 728 CE MET A 47 57.387 -6.262 -1.954 1.00 0.00 C ATOM 0 H MET A 47 58.803 -4.176 3.059 1.00 0.00 H new ATOM 0 HA MET A 47 57.427 -6.737 2.746 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.902 -4.619 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 47 59.024 -6.223 0.513 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.284 -5.399 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.913 -4.541 0.037 1.00 0.00 H new ATOM 0 HE1 MET A 47 57.271 -6.998 -2.749 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.900 -5.332 -2.246 1.00 0.00 H new ATOM 0 HE3 MET A 47 58.448 -6.078 -1.782 1.00 0.00 H new ATOM 738 N LEU A 48 60.639 -6.778 3.202 1.00 0.00 N ATOM 739 CA LEU A 48 61.775 -7.721 3.407 1.00 0.00 C ATOM 740 C LEU A 48 61.835 -8.166 4.870 1.00 0.00 C ATOM 741 O LEU A 48 62.600 -9.038 5.234 1.00 0.00 O ATOM 742 CB LEU A 48 63.025 -6.922 3.039 1.00 0.00 C ATOM 743 CG LEU A 48 63.314 -7.087 1.547 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.435 -5.709 0.896 1.00 0.00 C ATOM 745 CD2 LEU A 48 64.626 -7.854 1.363 1.00 0.00 C ATOM 0 H LEU A 48 60.837 -5.804 3.430 1.00 0.00 H new ATOM 0 HA LEU A 48 61.676 -8.624 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.880 -5.868 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.876 -7.267 3.626 1.00 0.00 H new ATOM 0 HG LEU A 48 62.500 -7.641 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 48 63.641 -5.826 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 48 62.502 -5.162 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.249 -5.155 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.832 -7.972 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.440 -7.300 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.541 -8.837 1.827 1.00 0.00 H new ATOM 757 N GLY A 49 61.034 -7.574 5.713 1.00 0.00 N ATOM 758 CA GLY A 49 61.044 -7.963 7.151 1.00 0.00 C ATOM 759 C GLY A 49 61.391 -6.742 8.006 1.00 0.00 C ATOM 760 O GLY A 49 60.702 -6.423 8.955 1.00 0.00 O ATOM 0 H GLY A 49 60.373 -6.837 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 49 60.070 -8.357 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.772 -8.757 7.319 1.00 0.00 H new ATOM 764 N GLN A 50 62.451 -6.058 7.677 1.00 0.00 N ATOM 765 CA GLN A 50 62.841 -4.857 8.471 1.00 0.00 C ATOM 766 C GLN A 50 61.611 -3.992 8.759 1.00 0.00 C ATOM 767 O GLN A 50 60.683 -3.935 7.976 1.00 0.00 O ATOM 768 CB GLN A 50 63.833 -4.102 7.586 1.00 0.00 C ATOM 769 CG GLN A 50 65.220 -4.134 8.230 1.00 0.00 C ATOM 770 CD GLN A 50 65.567 -5.570 8.625 1.00 0.00 C ATOM 771 OE1 GLN A 50 65.576 -5.907 9.792 1.00 0.00 O ATOM 772 NE2 GLN A 50 65.858 -6.438 7.694 1.00 0.00 N ATOM 0 H GLN A 50 63.065 -6.278 6.893 1.00 0.00 H new ATOM 0 HA GLN A 50 63.275 -5.122 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 50 63.870 -4.555 6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.506 -3.071 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 50 65.965 -3.747 7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 50 65.239 -3.489 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 50 65.851 -6.156 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 50 66.093 -7.398 7.947 1.00 0.00 H new ATOM 781 N ASN A 51 61.596 -3.315 9.876 1.00 0.00 N ATOM 782 CA ASN A 51 60.426 -2.454 10.212 1.00 0.00 C ATOM 783 C ASN A 51 60.877 -1.251 11.046 1.00 0.00 C ATOM 784 O ASN A 51 60.376 -1.022 12.129 1.00 0.00 O ATOM 785 CB ASN A 51 59.494 -3.352 11.026 1.00 0.00 C ATOM 786 CG ASN A 51 60.226 -3.855 12.271 1.00 0.00 C ATOM 787 OD1 ASN A 51 61.189 -3.255 12.708 1.00 0.00 O ATOM 788 ND2 ASN A 51 59.809 -4.939 12.866 1.00 0.00 N ATOM 0 H ASN A 51 62.343 -3.321 10.570 1.00 0.00 H new ATOM 0 HA ASN A 51 59.936 -2.058 9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 51 58.601 -2.799 11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 51 59.164 -4.196 10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 51 60.291 -5.282 13.697 1.00 0.00 H new ATOM 0 HD22 ASN A 51 59.001 -5.443 12.500 1.00 0.00 H new ATOM 795 N PRO A 52 61.814 -0.521 10.506 1.00 0.00 N ATOM 796 CA PRO A 52 62.347 0.675 11.203 1.00 0.00 C ATOM 797 C PRO A 52 61.328 1.818 11.169 1.00 0.00 C ATOM 798 O PRO A 52 60.182 1.631 10.812 1.00 0.00 O ATOM 799 CB PRO A 52 63.591 1.033 10.395 1.00 0.00 C ATOM 800 CG PRO A 52 63.346 0.467 9.032 1.00 0.00 C ATOM 801 CD PRO A 52 62.459 -0.739 9.207 1.00 0.00 C ATOM 0 HA PRO A 52 62.563 0.495 12.256 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.737 2.112 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.489 0.607 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.869 1.206 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 52 64.286 0.188 8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.725 -0.814 8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 52 63.036 -1.663 9.198 1.00 0.00 H new ATOM 809 N THR A 53 61.739 3.000 11.540 1.00 0.00 N ATOM 810 CA THR A 53 60.797 4.157 11.532 1.00 0.00 C ATOM 811 C THR A 53 61.206 5.166 10.454 1.00 0.00 C ATOM 812 O THR A 53 62.289 5.088 9.911 1.00 0.00 O ATOM 813 CB THR A 53 60.923 4.779 12.923 1.00 0.00 C ATOM 814 OG1 THR A 53 62.148 4.368 13.513 1.00 0.00 O ATOM 815 CG2 THR A 53 59.754 4.323 13.798 1.00 0.00 C ATOM 0 H THR A 53 62.687 3.215 11.849 1.00 0.00 H new ATOM 0 HA THR A 53 59.773 3.854 11.311 1.00 0.00 H new ATOM 0 HB THR A 53 60.906 5.866 12.838 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.232 4.767 14.404 1.00 0.00 H new ATOM 0 HG21 THR A 53 59.846 4.768 14.789 1.00 0.00 H new ATOM 0 HG22 THR A 53 58.815 4.639 13.344 1.00 0.00 H new ATOM 0 HG23 THR A 53 59.767 3.237 13.885 1.00 0.00 H new ATOM 823 N PRO A 54 60.316 6.082 10.183 1.00 0.00 N ATOM 824 CA PRO A 54 60.583 7.124 9.161 1.00 0.00 C ATOM 825 C PRO A 54 61.597 8.143 9.687 1.00 0.00 C ATOM 826 O PRO A 54 62.456 8.609 8.964 1.00 0.00 O ATOM 827 CB PRO A 54 59.219 7.776 8.952 1.00 0.00 C ATOM 828 CG PRO A 54 58.471 7.526 10.223 1.00 0.00 C ATOM 829 CD PRO A 54 58.993 6.234 10.798 1.00 0.00 C ATOM 0 HA PRO A 54 61.006 6.722 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.318 8.844 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.701 7.342 8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.618 8.347 10.925 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.400 7.458 10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 54 59.061 6.279 11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 54 58.340 5.396 10.554 1.00 0.00 H new ATOM 837 N GLU A 55 61.506 8.493 10.941 1.00 0.00 N ATOM 838 CA GLU A 55 62.463 9.482 11.514 1.00 0.00 C ATOM 839 C GLU A 55 63.905 9.033 11.259 1.00 0.00 C ATOM 840 O GLU A 55 64.762 9.827 10.926 1.00 0.00 O ATOM 841 CB GLU A 55 62.166 9.498 13.012 1.00 0.00 C ATOM 842 CG GLU A 55 61.999 10.943 13.485 1.00 0.00 C ATOM 843 CD GLU A 55 60.647 11.481 13.012 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.427 11.500 11.811 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.855 11.863 13.856 1.00 0.00 O ATOM 0 H GLU A 55 60.809 8.136 11.595 1.00 0.00 H new ATOM 0 HA GLU A 55 62.353 10.469 11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.260 8.929 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.977 9.017 13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.061 10.991 14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.806 11.561 13.092 1.00 0.00 H new ATOM 852 N GLU A 56 64.178 7.767 11.414 1.00 0.00 N ATOM 853 CA GLU A 56 65.564 7.270 11.181 1.00 0.00 C ATOM 854 C GLU A 56 65.873 7.252 9.683 1.00 0.00 C ATOM 855 O GLU A 56 66.970 7.561 9.261 1.00 0.00 O ATOM 856 CB GLU A 56 65.579 5.852 11.751 1.00 0.00 C ATOM 857 CG GLU A 56 66.566 5.785 12.918 1.00 0.00 C ATOM 858 CD GLU A 56 67.865 5.128 12.450 1.00 0.00 C ATOM 859 OE1 GLU A 56 67.791 4.054 11.875 1.00 0.00 O ATOM 860 OE2 GLU A 56 68.914 5.710 12.676 1.00 0.00 O ATOM 0 H GLU A 56 63.502 7.055 11.692 1.00 0.00 H new ATOM 0 HA GLU A 56 66.315 7.904 11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.581 5.573 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.865 5.140 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.768 6.787 13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.134 5.216 13.741 1.00 0.00 H new ATOM 867 N LEU A 57 64.913 6.894 8.874 1.00 0.00 N ATOM 868 CA LEU A 57 65.154 6.861 7.404 1.00 0.00 C ATOM 869 C LEU A 57 65.566 8.248 6.907 1.00 0.00 C ATOM 870 O LEU A 57 66.468 8.390 6.106 1.00 0.00 O ATOM 871 CB LEU A 57 63.816 6.445 6.792 1.00 0.00 C ATOM 872 CG LEU A 57 63.811 4.934 6.555 1.00 0.00 C ATOM 873 CD1 LEU A 57 62.425 4.369 6.872 1.00 0.00 C ATOM 874 CD2 LEU A 57 64.156 4.649 5.092 1.00 0.00 C ATOM 0 H LEU A 57 63.974 6.624 9.167 1.00 0.00 H new ATOM 0 HA LEU A 57 65.956 6.175 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.998 6.722 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 57 63.655 6.972 5.852 1.00 0.00 H new ATOM 0 HG LEU A 57 64.550 4.462 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 57 62.424 3.292 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 57 62.179 4.573 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 57 61.684 4.839 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 64.153 3.573 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 57 63.417 5.121 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 57 65.144 5.050 4.867 1.00 0.00 H new ATOM 886 N GLN A 58 64.911 9.274 7.378 1.00 0.00 N ATOM 887 CA GLN A 58 65.266 10.652 6.935 1.00 0.00 C ATOM 888 C GLN A 58 66.765 10.897 7.130 1.00 0.00 C ATOM 889 O GLN A 58 67.451 11.352 6.237 1.00 0.00 O ATOM 890 CB GLN A 58 64.449 11.581 7.833 1.00 0.00 C ATOM 891 CG GLN A 58 64.083 12.849 7.060 1.00 0.00 C ATOM 892 CD GLN A 58 63.167 12.486 5.889 1.00 0.00 C ATOM 893 OE1 GLN A 58 62.216 11.750 6.051 1.00 0.00 O ATOM 894 NE2 GLN A 58 63.416 12.977 4.706 1.00 0.00 N ATOM 0 H GLN A 58 64.146 9.218 8.050 1.00 0.00 H new ATOM 0 HA GLN A 58 65.051 10.816 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.545 11.075 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 58 65.022 11.838 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.584 13.559 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.986 13.337 6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 58 64.215 13.596 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.812 12.742 3.919 1.00 0.00 H new ATOM 903 N GLU A 59 67.280 10.598 8.293 1.00 0.00 N ATOM 904 CA GLU A 59 68.733 10.813 8.542 1.00 0.00 C ATOM 905 C GLU A 59 69.553 10.296 7.357 1.00 0.00 C ATOM 906 O GLU A 59 70.467 10.946 6.889 1.00 0.00 O ATOM 907 CB GLU A 59 69.044 10.003 9.802 1.00 0.00 C ATOM 908 CG GLU A 59 70.559 9.912 9.992 1.00 0.00 C ATOM 909 CD GLU A 59 70.885 9.870 11.486 1.00 0.00 C ATOM 910 OE1 GLU A 59 70.822 8.793 12.056 1.00 0.00 O ATOM 911 OE2 GLU A 59 71.194 10.915 12.035 1.00 0.00 O ATOM 0 H GLU A 59 66.757 10.214 9.080 1.00 0.00 H new ATOM 0 HA GLU A 59 68.980 11.868 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 59 68.586 10.474 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 59 68.617 9.004 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 59 70.945 9.019 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 59 71.047 10.769 9.527 1.00 0.00 H new ATOM 918 N MET A 60 69.229 9.132 6.865 1.00 0.00 N ATOM 919 CA MET A 60 69.988 8.575 5.709 1.00 0.00 C ATOM 920 C MET A 60 69.782 9.455 4.473 1.00 0.00 C ATOM 921 O MET A 60 70.694 10.104 4.001 1.00 0.00 O ATOM 922 CB MET A 60 69.396 7.183 5.478 1.00 0.00 C ATOM 923 CG MET A 60 69.901 6.227 6.561 1.00 0.00 C ATOM 924 SD MET A 60 69.959 4.544 5.901 1.00 0.00 S ATOM 925 CE MET A 60 68.329 4.015 6.482 1.00 0.00 C ATOM 0 H MET A 60 68.472 8.543 7.213 1.00 0.00 H new ATOM 0 HA MET A 60 71.061 8.535 5.899 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.307 7.231 5.499 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.679 6.815 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.892 6.532 6.897 1.00 0.00 H new ATOM 0 HG3 MET A 60 69.244 6.266 7.430 1.00 0.00 H new ATOM 0 HE1 MET A 60 68.152 2.983 6.179 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.290 4.086 7.569 1.00 0.00 H new ATOM 0 HE3 MET A 60 67.562 4.657 6.048 1.00 0.00 H new ATOM 935 N ILE A 61 68.589 9.480 3.947 1.00 0.00 N ATOM 936 CA ILE A 61 68.321 10.316 2.742 1.00 0.00 C ATOM 937 C ILE A 61 68.969 11.697 2.895 1.00 0.00 C ATOM 938 O ILE A 61 69.504 12.249 1.954 1.00 0.00 O ATOM 939 CB ILE A 61 66.798 10.441 2.679 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.202 9.132 2.155 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.412 11.586 1.741 1.00 0.00 C ATOM 942 CD1 ILE A 61 65.246 8.552 3.198 1.00 0.00 C ATOM 0 H ILE A 61 67.787 8.957 4.299 1.00 0.00 H new ATOM 0 HA ILE A 61 68.733 9.874 1.835 1.00 0.00 H new ATOM 0 HB ILE A 61 66.411 10.647 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.672 9.311 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.998 8.419 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.326 11.672 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.835 12.519 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.799 11.384 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.822 7.620 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 61 65.790 8.358 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.444 9.264 3.392 1.00 0.00 H new ATOM 954 N ASP A 62 68.922 12.260 4.072 1.00 0.00 N ATOM 955 CA ASP A 62 69.533 13.606 4.278 1.00 0.00 C ATOM 956 C ASP A 62 71.061 13.510 4.246 1.00 0.00 C ATOM 957 O ASP A 62 71.747 14.479 3.985 1.00 0.00 O ATOM 958 CB ASP A 62 69.054 14.050 5.660 1.00 0.00 C ATOM 959 CG ASP A 62 67.918 15.063 5.504 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.210 16.211 5.213 1.00 0.00 O ATOM 961 OD2 ASP A 62 66.775 14.674 5.678 1.00 0.00 O ATOM 0 H ASP A 62 68.488 11.848 4.898 1.00 0.00 H new ATOM 0 HA ASP A 62 69.245 14.311 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.711 13.188 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.879 14.495 6.217 1.00 0.00 H new ATOM 966 N GLU A 63 71.601 12.352 4.512 1.00 0.00 N ATOM 967 CA GLU A 63 73.085 12.201 4.500 1.00 0.00 C ATOM 968 C GLU A 63 73.535 11.454 3.242 1.00 0.00 C ATOM 969 O GLU A 63 74.576 11.734 2.682 1.00 0.00 O ATOM 970 CB GLU A 63 73.408 11.386 5.753 1.00 0.00 C ATOM 971 CG GLU A 63 73.316 12.286 6.986 1.00 0.00 C ATOM 972 CD GLU A 63 74.523 12.037 7.892 1.00 0.00 C ATOM 973 OE1 GLU A 63 74.587 10.970 8.481 1.00 0.00 O ATOM 974 OE2 GLU A 63 75.364 12.916 7.981 1.00 0.00 O ATOM 0 H GLU A 63 71.080 11.504 4.737 1.00 0.00 H new ATOM 0 HA GLU A 63 73.597 13.163 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 63 72.713 10.552 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 63 74.408 10.960 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 63 73.285 13.333 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.393 12.084 7.529 1.00 0.00 H new ATOM 981 N VAL A 64 72.761 10.504 2.795 1.00 0.00 N ATOM 982 CA VAL A 64 73.148 9.740 1.575 1.00 0.00 C ATOM 983 C VAL A 64 72.677 10.476 0.319 1.00 0.00 C ATOM 984 O VAL A 64 73.394 10.582 -0.658 1.00 0.00 O ATOM 985 CB VAL A 64 72.435 8.393 1.711 1.00 0.00 C ATOM 986 CG1 VAL A 64 70.944 8.562 1.403 1.00 0.00 C ATOM 987 CG2 VAL A 64 73.046 7.392 0.729 1.00 0.00 C ATOM 0 H VAL A 64 71.878 10.224 3.221 1.00 0.00 H new ATOM 0 HA VAL A 64 74.228 9.622 1.485 1.00 0.00 H new ATOM 0 HB VAL A 64 72.553 8.025 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.441 7.600 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.506 9.274 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 64 70.822 8.933 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.539 6.432 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.929 7.764 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.106 7.266 0.950 1.00 0.00 H new ATOM 997 N ASP A 65 71.477 10.984 0.336 1.00 0.00 N ATOM 998 CA ASP A 65 70.959 11.712 -0.856 1.00 0.00 C ATOM 999 C ASP A 65 71.238 13.211 -0.721 1.00 0.00 C ATOM 1000 O ASP A 65 70.370 13.986 -0.371 1.00 0.00 O ATOM 1001 CB ASP A 65 69.454 11.443 -0.861 1.00 0.00 C ATOM 1002 CG ASP A 65 69.078 10.671 -2.127 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.304 11.195 -3.205 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.574 9.568 -1.996 1.00 0.00 O ATOM 0 H ASP A 65 70.832 10.927 1.124 1.00 0.00 H new ATOM 0 HA ASP A 65 71.434 11.383 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.173 10.871 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.905 12.384 -0.820 1.00 0.00 H new ATOM 1009 N GLU A 66 72.445 13.624 -0.996 1.00 0.00 N ATOM 1010 CA GLU A 66 72.782 15.072 -0.883 1.00 0.00 C ATOM 1011 C GLU A 66 72.096 15.863 -2.000 1.00 0.00 C ATOM 1012 O GLU A 66 71.821 17.038 -1.862 1.00 0.00 O ATOM 1013 CB GLU A 66 74.303 15.136 -1.036 1.00 0.00 C ATOM 1014 CG GLU A 66 74.948 15.323 0.340 1.00 0.00 C ATOM 1015 CD GLU A 66 75.212 16.810 0.581 1.00 0.00 C ATOM 1016 OE1 GLU A 66 75.355 17.532 -0.392 1.00 0.00 O ATOM 1017 OE2 GLU A 66 75.268 17.201 1.735 1.00 0.00 O ATOM 0 H GLU A 66 73.212 13.022 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 66 72.448 15.502 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 66 74.671 14.221 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 66 74.579 15.961 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.293 14.928 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.882 14.763 0.395 1.00 0.00 H new ATOM 1024 N ASP A 67 71.819 15.227 -3.105 1.00 0.00 N ATOM 1025 CA ASP A 67 71.151 15.944 -4.227 1.00 0.00 C ATOM 1026 C ASP A 67 69.770 16.439 -3.790 1.00 0.00 C ATOM 1027 O ASP A 67 69.183 17.301 -4.411 1.00 0.00 O ATOM 1028 CB ASP A 67 71.019 14.902 -5.339 1.00 0.00 C ATOM 1029 CG ASP A 67 71.376 15.542 -6.683 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.282 16.754 -6.784 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.739 14.808 -7.588 1.00 0.00 O ATOM 0 H ASP A 67 72.026 14.244 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 67 71.714 16.819 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.678 14.057 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 67 70.001 14.513 -5.368 1.00 0.00 H new ATOM 1036 N GLY A 68 69.247 15.897 -2.724 1.00 0.00 N ATOM 1037 CA GLY A 68 67.904 16.336 -2.250 1.00 0.00 C ATOM 1038 C GLY A 68 66.856 15.998 -3.311 1.00 0.00 C ATOM 1039 O GLY A 68 66.064 16.832 -3.702 1.00 0.00 O ATOM 0 H GLY A 68 69.691 15.171 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 68 67.658 15.842 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 67.908 17.408 -2.055 1.00 0.00 H new ATOM 1043 N SER A 69 66.844 14.780 -3.779 1.00 0.00 N ATOM 1044 CA SER A 69 65.847 14.389 -4.816 1.00 0.00 C ATOM 1045 C SER A 69 64.717 13.570 -4.184 1.00 0.00 C ATOM 1046 O SER A 69 63.785 13.165 -4.850 1.00 0.00 O ATOM 1047 CB SER A 69 66.633 13.538 -5.813 1.00 0.00 C ATOM 1048 OG SER A 69 67.759 12.968 -5.159 1.00 0.00 O ATOM 0 H SER A 69 67.481 14.039 -3.488 1.00 0.00 H new ATOM 0 HA SER A 69 65.383 15.253 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 69 65.997 12.751 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.958 14.150 -6.654 1.00 0.00 H new ATOM 0 HG SER A 69 68.264 12.420 -5.795 1.00 0.00 H new ATOM 1054 N GLY A 70 64.795 13.324 -2.905 1.00 0.00 N ATOM 1055 CA GLY A 70 63.725 12.532 -2.233 1.00 0.00 C ATOM 1056 C GLY A 70 63.536 11.203 -2.965 1.00 0.00 C ATOM 1057 O GLY A 70 62.458 10.643 -2.987 1.00 0.00 O ATOM 0 H GLY A 70 65.552 13.636 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 70 63.992 12.351 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 70 62.791 13.093 -2.230 1.00 0.00 H new ATOM 1061 N THR A 71 64.577 10.694 -3.565 1.00 0.00 N ATOM 1062 CA THR A 71 64.457 9.400 -4.295 1.00 0.00 C ATOM 1063 C THR A 71 65.768 8.617 -4.197 1.00 0.00 C ATOM 1064 O THR A 71 66.843 9.163 -4.350 1.00 0.00 O ATOM 1065 CB THR A 71 64.167 9.794 -5.745 1.00 0.00 C ATOM 1066 OG1 THR A 71 65.039 10.846 -6.133 1.00 0.00 O ATOM 1067 CG2 THR A 71 62.714 10.262 -5.868 1.00 0.00 C ATOM 0 H THR A 71 65.505 11.118 -3.581 1.00 0.00 H new ATOM 0 HA THR A 71 63.677 8.759 -3.884 1.00 0.00 H new ATOM 0 HB THR A 71 64.326 8.933 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.855 11.098 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.508 10.542 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.045 9.454 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.553 11.123 -5.219 1.00 0.00 H new ATOM 1075 N VAL A 72 65.689 7.339 -3.942 1.00 0.00 N ATOM 1076 CA VAL A 72 66.936 6.521 -3.833 1.00 0.00 C ATOM 1077 C VAL A 72 67.129 5.659 -5.075 1.00 0.00 C ATOM 1078 O VAL A 72 66.200 5.373 -5.804 1.00 0.00 O ATOM 1079 CB VAL A 72 66.761 5.616 -2.606 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.179 6.375 -1.353 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.303 5.168 -2.468 1.00 0.00 C ATOM 0 H VAL A 72 64.819 6.825 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 72 67.809 7.167 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 72 67.387 4.733 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.055 5.733 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.224 6.672 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 72 66.557 7.263 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.201 4.527 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.663 6.043 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.007 4.615 -3.359 1.00 0.00 H new ATOM 1091 N ASP A 73 68.335 5.225 -5.304 1.00 0.00 N ATOM 1092 CA ASP A 73 68.610 4.357 -6.479 1.00 0.00 C ATOM 1093 C ASP A 73 68.959 2.954 -5.985 1.00 0.00 C ATOM 1094 O ASP A 73 68.944 2.687 -4.800 1.00 0.00 O ATOM 1095 CB ASP A 73 69.808 5.001 -7.178 1.00 0.00 C ATOM 1096 CG ASP A 73 69.522 6.483 -7.421 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.393 7.208 -6.447 1.00 0.00 O ATOM 1098 OD2 ASP A 73 69.437 6.870 -8.574 1.00 0.00 O ATOM 0 H ASP A 73 69.147 5.436 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 73 67.759 4.268 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.703 4.888 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.004 4.498 -8.125 1.00 0.00 H new ATOM 1103 N PHE A 74 69.274 2.056 -6.871 1.00 0.00 N ATOM 1104 CA PHE A 74 69.622 0.679 -6.422 1.00 0.00 C ATOM 1105 C PHE A 74 70.945 0.698 -5.654 1.00 0.00 C ATOM 1106 O PHE A 74 71.316 -0.261 -5.008 1.00 0.00 O ATOM 1107 CB PHE A 74 69.752 -0.136 -7.707 1.00 0.00 C ATOM 1108 CG PHE A 74 69.801 -1.603 -7.363 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.913 -2.128 -6.419 1.00 0.00 C ATOM 1110 CD2 PHE A 74 70.735 -2.438 -7.987 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.957 -3.489 -6.097 1.00 0.00 C ATOM 1112 CE2 PHE A 74 70.780 -3.800 -7.666 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.891 -4.326 -6.721 1.00 0.00 C ATOM 0 H PHE A 74 69.306 2.211 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 74 68.873 0.257 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 74 68.908 0.067 -8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 74 70.654 0.154 -8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.193 -1.483 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 74 71.421 -2.032 -8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 74 68.271 -3.894 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 74 71.500 -4.445 -8.147 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.925 -5.377 -6.473 1.00 0.00 H new ATOM 1123 N ASP A 75 71.658 1.788 -5.720 1.00 0.00 N ATOM 1124 CA ASP A 75 72.957 1.876 -4.993 1.00 0.00 C ATOM 1125 C ASP A 75 72.730 2.355 -3.555 1.00 0.00 C ATOM 1126 O ASP A 75 73.416 1.943 -2.640 1.00 0.00 O ATOM 1127 CB ASP A 75 73.790 2.895 -5.774 1.00 0.00 C ATOM 1128 CG ASP A 75 72.979 4.174 -5.984 1.00 0.00 C ATOM 1129 OD1 ASP A 75 72.619 4.793 -4.996 1.00 0.00 O ATOM 1130 OD2 ASP A 75 72.729 4.515 -7.129 1.00 0.00 O ATOM 0 H ASP A 75 71.398 2.622 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 75 73.456 0.909 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.708 3.120 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.083 2.477 -6.737 1.00 0.00 H new ATOM 1135 N GLU A 76 71.773 3.219 -3.344 1.00 0.00 N ATOM 1136 CA GLU A 76 71.510 3.715 -1.962 1.00 0.00 C ATOM 1137 C GLU A 76 70.589 2.742 -1.225 1.00 0.00 C ATOM 1138 O GLU A 76 70.900 2.269 -0.150 1.00 0.00 O ATOM 1139 CB GLU A 76 70.815 5.063 -2.148 1.00 0.00 C ATOM 1140 CG GLU A 76 71.867 6.152 -2.360 1.00 0.00 C ATOM 1141 CD GLU A 76 71.182 7.519 -2.427 1.00 0.00 C ATOM 1142 OE1 GLU A 76 70.030 7.603 -2.032 1.00 0.00 O ATOM 1143 OE2 GLU A 76 71.821 8.457 -2.873 1.00 0.00 O ATOM 0 H GLU A 76 71.164 3.602 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 76 72.424 3.805 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.141 5.022 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.207 5.295 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.591 6.136 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 76 72.419 5.965 -3.281 1.00 0.00 H new ATOM 1150 N PHE A 77 69.456 2.446 -1.796 1.00 0.00 N ATOM 1151 CA PHE A 77 68.506 1.509 -1.131 1.00 0.00 C ATOM 1152 C PHE A 77 69.246 0.281 -0.593 1.00 0.00 C ATOM 1153 O PHE A 77 69.090 -0.093 0.552 1.00 0.00 O ATOM 1154 CB PHE A 77 67.519 1.102 -2.225 1.00 0.00 C ATOM 1155 CG PHE A 77 66.611 0.016 -1.698 1.00 0.00 C ATOM 1156 CD1 PHE A 77 65.887 0.222 -0.519 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.497 -1.198 -2.388 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.048 -0.785 -0.028 1.00 0.00 C ATOM 1159 CE2 PHE A 77 65.657 -2.204 -1.898 1.00 0.00 C ATOM 1160 CZ PHE A 77 64.933 -1.998 -0.718 1.00 0.00 C ATOM 0 H PHE A 77 69.145 2.812 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 77 68.007 1.971 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 77 66.930 1.964 -2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.058 0.747 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 77 65.975 1.158 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.057 -1.357 -3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 77 64.490 -0.627 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 77 65.567 -3.139 -2.430 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.285 -2.775 -0.340 1.00 0.00 H new ATOM 1170 N LEU A 78 70.046 -0.351 -1.406 1.00 0.00 N ATOM 1171 CA LEU A 78 70.788 -1.553 -0.932 1.00 0.00 C ATOM 1172 C LEU A 78 71.700 -1.169 0.241 1.00 0.00 C ATOM 1173 O LEU A 78 71.748 -1.846 1.249 1.00 0.00 O ATOM 1174 CB LEU A 78 71.589 -2.017 -2.161 1.00 0.00 C ATOM 1175 CG LEU A 78 72.977 -2.512 -1.748 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.833 -3.735 -0.838 1.00 0.00 C ATOM 1177 CD2 LEU A 78 73.774 -2.896 -2.996 1.00 0.00 C ATOM 0 H LEU A 78 70.218 -0.088 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 78 70.140 -2.347 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 78 71.050 -2.815 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 78 71.687 -1.194 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 78 73.500 -1.720 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 78 73.821 -4.088 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.265 -3.462 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 78 72.309 -4.527 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 78 74.763 -3.249 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.251 -3.688 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 78 73.877 -2.026 -3.644 1.00 0.00 H new ATOM 1189 N VAL A 79 72.420 -0.088 0.117 1.00 0.00 N ATOM 1190 CA VAL A 79 73.323 0.334 1.225 1.00 0.00 C ATOM 1191 C VAL A 79 72.499 0.796 2.430 1.00 0.00 C ATOM 1192 O VAL A 79 72.718 0.367 3.545 1.00 0.00 O ATOM 1193 CB VAL A 79 74.136 1.496 0.653 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.039 2.073 1.745 1.00 0.00 C ATOM 1195 CG2 VAL A 79 74.996 0.993 -0.508 1.00 0.00 C ATOM 0 H VAL A 79 72.422 0.520 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 79 73.962 -0.479 1.570 1.00 0.00 H new ATOM 0 HB VAL A 79 73.459 2.272 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.619 2.901 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.426 2.431 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.716 1.298 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.576 1.821 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.673 0.217 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.353 0.582 -1.286 1.00 0.00 H new ATOM 1205 N MET A 80 71.552 1.667 2.215 1.00 0.00 N ATOM 1206 CA MET A 80 70.715 2.151 3.351 1.00 0.00 C ATOM 1207 C MET A 80 70.229 0.965 4.188 1.00 0.00 C ATOM 1208 O MET A 80 70.153 1.037 5.399 1.00 0.00 O ATOM 1209 CB MET A 80 69.534 2.865 2.695 1.00 0.00 C ATOM 1210 CG MET A 80 69.771 4.375 2.725 1.00 0.00 C ATOM 1211 SD MET A 80 68.238 5.218 3.188 1.00 0.00 S ATOM 1212 CE MET A 80 67.835 5.861 1.546 1.00 0.00 C ATOM 0 H MET A 80 71.321 2.064 1.304 1.00 0.00 H new ATOM 0 HA MET A 80 71.267 2.809 4.022 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.416 2.525 1.666 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.610 2.621 3.220 1.00 0.00 H new ATOM 0 HG2 MET A 80 70.560 4.616 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.107 4.720 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.778 6.125 1.508 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.438 6.746 1.344 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.046 5.099 0.795 1.00 0.00 H new ATOM 1222 N MET A 81 69.899 -0.125 3.551 1.00 0.00 N ATOM 1223 CA MET A 81 69.417 -1.315 4.309 1.00 0.00 C ATOM 1224 C MET A 81 70.586 -1.991 5.031 1.00 0.00 C ATOM 1225 O MET A 81 70.526 -2.257 6.215 1.00 0.00 O ATOM 1226 CB MET A 81 68.828 -2.248 3.250 1.00 0.00 C ATOM 1227 CG MET A 81 67.302 -2.249 3.364 1.00 0.00 C ATOM 1228 SD MET A 81 66.809 -3.137 4.861 1.00 0.00 S ATOM 1229 CE MET A 81 65.953 -4.504 4.041 1.00 0.00 C ATOM 0 H MET A 81 69.942 -0.243 2.539 1.00 0.00 H new ATOM 0 HA MET A 81 68.684 -1.050 5.071 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.129 -1.922 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.214 -3.258 3.385 1.00 0.00 H new ATOM 0 HG2 MET A 81 66.928 -1.225 3.396 1.00 0.00 H new ATOM 0 HG3 MET A 81 66.861 -2.722 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 81 65.038 -4.739 4.585 1.00 0.00 H new ATOM 0 HE2 MET A 81 65.704 -4.217 3.019 1.00 0.00 H new ATOM 0 HE3 MET A 81 66.600 -5.381 4.024 1.00 0.00 H new ATOM 1239 N VAL A 82 71.651 -2.271 4.329 1.00 0.00 N ATOM 1240 CA VAL A 82 72.818 -2.929 4.982 1.00 0.00 C ATOM 1241 C VAL A 82 73.280 -2.101 6.187 1.00 0.00 C ATOM 1242 O VAL A 82 73.961 -2.590 7.067 1.00 0.00 O ATOM 1243 CB VAL A 82 73.902 -2.991 3.894 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.710 -1.689 3.869 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.841 -4.164 4.178 1.00 0.00 C ATOM 0 H VAL A 82 71.763 -2.073 3.335 1.00 0.00 H new ATOM 0 HA VAL A 82 72.582 -3.923 5.362 1.00 0.00 H new ATOM 0 HB VAL A 82 73.421 -3.127 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.473 -1.749 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.044 -0.852 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 82 75.188 -1.539 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.610 -4.209 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 82 75.311 -4.026 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.272 -5.094 4.178 1.00 0.00 H new ATOM 1255 N ARG A 83 72.910 -0.849 6.232 1.00 0.00 N ATOM 1256 CA ARG A 83 73.322 0.013 7.376 1.00 0.00 C ATOM 1257 C ARG A 83 72.439 -0.272 8.595 1.00 0.00 C ATOM 1258 O ARG A 83 72.899 -0.278 9.719 1.00 0.00 O ATOM 1259 CB ARG A 83 73.113 1.448 6.889 1.00 0.00 C ATOM 1260 CG ARG A 83 74.275 1.854 5.980 1.00 0.00 C ATOM 1261 CD ARG A 83 74.302 3.377 5.836 1.00 0.00 C ATOM 1262 NE ARG A 83 75.120 3.857 6.985 1.00 0.00 N ATOM 1263 CZ ARG A 83 74.945 5.063 7.452 1.00 0.00 C ATOM 1264 NH1 ARG A 83 74.640 6.039 6.642 1.00 0.00 N ATOM 1265 NH2 ARG A 83 75.078 5.292 8.729 1.00 0.00 N ATOM 0 H ARG A 83 72.339 -0.386 5.525 1.00 0.00 H new ATOM 0 HA ARG A 83 74.353 -0.168 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 83 72.170 1.526 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 83 73.049 2.126 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 83 75.218 1.501 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 83 74.165 1.387 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 83 74.743 3.676 4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 83 73.296 3.794 5.866 1.00 0.00 H new ATOM 0 HE ARG A 83 75.817 3.243 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 83 74.538 5.860 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 83 74.503 6.981 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 83 75.319 4.529 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 83 74.941 6.234 9.095 1.00 0.00 H new ATOM 1279 N CYS A 84 71.174 -0.509 8.380 1.00 0.00 N ATOM 1280 CA CYS A 84 70.263 -0.795 9.525 1.00 0.00 C ATOM 1281 C CYS A 84 70.778 -1.995 10.324 1.00 0.00 C ATOM 1282 O CYS A 84 70.611 -2.071 11.525 1.00 0.00 O ATOM 1283 CB CYS A 84 68.911 -1.115 8.886 1.00 0.00 C ATOM 1284 SG CYS A 84 67.579 -0.523 9.958 1.00 0.00 S ATOM 0 H CYS A 84 70.732 -0.517 7.461 1.00 0.00 H new ATOM 0 HA CYS A 84 70.197 0.043 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 84 68.840 -0.643 7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.816 -2.190 8.730 1.00 0.00 H new ATOM 0 HG CYS A 84 66.430 -0.794 9.413 1.00 0.00 H new ATOM 1290 N MET A 85 71.403 -2.932 9.666 1.00 0.00 N ATOM 1291 CA MET A 85 71.929 -4.126 10.389 1.00 0.00 C ATOM 1292 C MET A 85 72.720 -3.685 11.624 1.00 0.00 C ATOM 1293 O MET A 85 72.697 -4.334 12.651 1.00 0.00 O ATOM 1294 CB MET A 85 72.845 -4.826 9.384 1.00 0.00 C ATOM 1295 CG MET A 85 72.046 -5.179 8.128 1.00 0.00 C ATOM 1296 SD MET A 85 71.689 -6.952 8.118 1.00 0.00 S ATOM 1297 CE MET A 85 71.323 -7.099 6.351 1.00 0.00 C ATOM 0 H MET A 85 71.573 -2.923 8.660 1.00 0.00 H new ATOM 0 HA MET A 85 71.133 -4.784 10.739 1.00 0.00 H new ATOM 0 HB2 MET A 85 73.682 -4.178 9.125 1.00 0.00 H new ATOM 0 HB3 MET A 85 73.266 -5.729 9.826 1.00 0.00 H new ATOM 0 HG2 MET A 85 71.117 -4.610 8.104 1.00 0.00 H new ATOM 0 HG3 MET A 85 72.610 -4.906 7.236 1.00 0.00 H new ATOM 0 HE1 MET A 85 71.071 -8.133 6.116 1.00 0.00 H new ATOM 0 HE2 MET A 85 70.481 -6.454 6.099 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.196 -6.798 5.772 1.00 0.00 H new ATOM 1307 N LYS A 86 73.415 -2.585 11.531 1.00 0.00 N ATOM 1308 CA LYS A 86 74.203 -2.100 12.699 1.00 0.00 C ATOM 1309 C LYS A 86 73.338 -1.190 13.575 1.00 0.00 C ATOM 1310 O LYS A 86 73.454 -1.182 14.785 1.00 0.00 O ATOM 1311 CB LYS A 86 75.368 -1.314 12.094 1.00 0.00 C ATOM 1312 CG LYS A 86 76.179 -0.659 13.213 1.00 0.00 C ATOM 1313 CD LYS A 86 76.619 -1.726 14.217 1.00 0.00 C ATOM 1314 CE LYS A 86 77.644 -1.127 15.182 1.00 0.00 C ATOM 1315 NZ LYS A 86 78.124 -2.280 15.996 1.00 0.00 N ATOM 0 H LYS A 86 73.471 -2.001 10.697 1.00 0.00 H new ATOM 0 HA LYS A 86 74.550 -2.917 13.332 1.00 0.00 H new ATOM 0 HB2 LYS A 86 76.005 -1.979 11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 86 74.991 -0.553 11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 86 77.051 -0.155 12.797 1.00 0.00 H new ATOM 0 HG3 LYS A 86 75.580 0.101 13.714 1.00 0.00 H new ATOM 0 HD2 LYS A 86 75.757 -2.097 14.770 1.00 0.00 H new ATOM 0 HD3 LYS A 86 77.052 -2.578 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.465 -0.655 14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 86 77.193 -0.360 15.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 78.831 -1.949 16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 77.322 -2.705 16.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 78.554 -2.991 15.371 1.00 0.00 H new ATOM 1329 N ASP A 87 72.471 -0.423 12.972 1.00 0.00 N ATOM 1330 CA ASP A 87 71.598 0.485 13.770 1.00 0.00 C ATOM 1331 C ASP A 87 72.451 1.476 14.565 1.00 0.00 C ATOM 1332 O ASP A 87 73.262 1.094 15.386 1.00 0.00 O ATOM 1333 CB ASP A 87 70.826 -0.437 14.714 1.00 0.00 C ATOM 1334 CG ASP A 87 69.557 0.271 15.195 1.00 0.00 C ATOM 1335 OD1 ASP A 87 68.575 0.237 14.473 1.00 0.00 O ATOM 1336 OD2 ASP A 87 69.591 0.835 16.276 1.00 0.00 O ATOM 0 H ASP A 87 72.329 -0.386 11.963 1.00 0.00 H new ATOM 0 HA ASP A 87 70.931 1.075 13.141 1.00 0.00 H new ATOM 0 HB2 ASP A 87 70.566 -1.364 14.202 1.00 0.00 H new ATOM 0 HB3 ASP A 87 71.450 -0.707 15.566 1.00 0.00 H new ATOM 1341 N ASP A 88 72.275 2.748 14.330 1.00 0.00 N ATOM 1342 CA ASP A 88 73.076 3.762 15.073 1.00 0.00 C ATOM 1343 C ASP A 88 72.161 4.617 15.954 1.00 0.00 C ATOM 1344 O ASP A 88 71.805 5.724 15.605 1.00 0.00 O ATOM 1345 CB ASP A 88 73.732 4.618 13.990 1.00 0.00 C ATOM 1346 CG ASP A 88 75.104 5.092 14.474 1.00 0.00 C ATOM 1347 OD1 ASP A 88 75.690 4.405 15.293 1.00 0.00 O ATOM 1348 OD2 ASP A 88 75.545 6.134 14.016 1.00 0.00 O ATOM 0 H ASP A 88 71.611 3.129 13.656 1.00 0.00 H new ATOM 0 HA ASP A 88 73.813 3.304 15.733 1.00 0.00 H new ATOM 0 HB2 ASP A 88 73.838 4.042 13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 88 73.101 5.476 13.757 1.00 0.00 H new ATOM 1353 N SER A 89 71.779 4.110 17.095 1.00 0.00 N ATOM 1354 CA SER A 89 70.887 4.894 17.997 1.00 0.00 C ATOM 1355 C SER A 89 69.516 5.094 17.345 1.00 0.00 C ATOM 1356 O SER A 89 69.074 4.191 16.654 1.00 0.00 O ATOM 1357 CB SER A 89 71.595 6.236 18.183 1.00 0.00 C ATOM 1358 OG SER A 89 71.208 6.801 19.429 1.00 0.00 O ATOM 1359 OXT SER A 89 68.934 6.147 17.546 1.00 0.00 O ATOM 0 H SER A 89 72.045 3.188 17.441 1.00 0.00 H new ATOM 0 HA SER A 89 70.713 4.389 18.947 1.00 0.00 H new ATOM 0 HB2 SER A 89 72.676 6.098 18.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 71.338 6.912 17.368 1.00 0.00 H new ATOM 0 HG SER A 89 71.661 7.661 19.553 1.00 0.00 H new TER 1365 SER A 89