USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 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 41 SER OG : rot 142:sc= -0.514 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0734 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.233 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.91) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 22 ASN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.82) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.0509 (180deg=-0.818) USER MOD Single : A 43 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=-0.28) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.359) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.129 -10.750 -1.672 1.00 0.00 N ATOM 2 CA GLY A 1 -1.792 -9.477 -1.455 1.00 0.00 C ATOM 3 C GLY A 1 -2.324 -8.874 -2.740 1.00 0.00 C ATOM 4 O GLY A 1 -2.254 -9.494 -3.800 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.604 -11.488 -1.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.172 -10.996 -2.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.135 -10.679 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.615 -9.614 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.092 -8.781 -0.993 1.00 0.00 H new ATOM 8 N SER A 2 -2.858 -7.660 -2.645 1.00 0.00 N ATOM 9 CA SER A 2 -3.409 -6.975 -3.808 1.00 0.00 C ATOM 10 C SER A 2 -2.371 -6.048 -4.434 1.00 0.00 C ATOM 11 O SER A 2 -1.771 -5.218 -3.751 1.00 0.00 O ATOM 12 CB SER A 2 -4.652 -6.175 -3.413 1.00 0.00 C ATOM 13 OG SER A 2 -5.499 -5.966 -4.530 1.00 0.00 O ATOM 0 H SER A 2 -2.921 -7.131 -1.775 1.00 0.00 H new ATOM 0 HA SER A 2 -3.689 -7.728 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.198 -6.706 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.352 -5.214 -2.995 1.00 0.00 H new ATOM 0 HG SER A 2 -6.287 -5.454 -4.252 1.00 0.00 H new ATOM 19 N SER A 3 -2.166 -6.196 -5.739 1.00 0.00 N ATOM 20 CA SER A 3 -1.198 -5.376 -6.458 1.00 0.00 C ATOM 21 C SER A 3 -1.772 -4.902 -7.790 1.00 0.00 C ATOM 22 O SER A 3 -2.079 -5.707 -8.668 1.00 0.00 O ATOM 23 CB SER A 3 0.092 -6.162 -6.696 1.00 0.00 C ATOM 24 OG SER A 3 1.219 -5.453 -6.211 1.00 0.00 O ATOM 0 H SER A 3 -2.657 -6.876 -6.320 1.00 0.00 H new ATOM 0 HA SER A 3 -0.974 -4.502 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.028 -7.131 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.212 -6.356 -7.762 1.00 0.00 H new ATOM 0 HG SER A 3 2.030 -5.978 -6.374 1.00 0.00 H new ATOM 30 N GLY A 4 -1.913 -3.587 -7.933 1.00 0.00 N ATOM 31 CA GLY A 4 -2.449 -3.028 -9.160 1.00 0.00 C ATOM 32 C GLY A 4 -3.348 -1.833 -8.908 1.00 0.00 C ATOM 33 O GLY A 4 -4.211 -1.872 -8.032 1.00 0.00 O ATOM 0 H GLY A 4 -1.666 -2.900 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.626 -2.729 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.011 -3.796 -9.691 1.00 0.00 H new ATOM 37 N SER A 5 -3.144 -0.769 -9.677 1.00 0.00 N ATOM 38 CA SER A 5 -3.939 0.444 -9.530 1.00 0.00 C ATOM 39 C SER A 5 -4.433 0.939 -10.886 1.00 0.00 C ATOM 40 O SER A 5 -3.719 0.860 -11.885 1.00 0.00 O ATOM 41 CB SER A 5 -3.118 1.538 -8.844 1.00 0.00 C ATOM 42 OG SER A 5 -3.379 1.574 -7.451 1.00 0.00 O ATOM 0 H SER A 5 -2.435 -0.722 -10.408 1.00 0.00 H new ATOM 0 HA SER A 5 -4.805 0.207 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.056 1.360 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.354 2.506 -9.287 1.00 0.00 H new ATOM 0 HG SER A 5 -2.841 2.280 -7.036 1.00 0.00 H new ATOM 48 N SER A 6 -5.661 1.448 -10.912 1.00 0.00 N ATOM 49 CA SER A 6 -6.253 1.952 -12.145 1.00 0.00 C ATOM 50 C SER A 6 -6.369 0.843 -13.185 1.00 0.00 C ATOM 51 O SER A 6 -5.839 -0.252 -13.003 1.00 0.00 O ATOM 52 CB SER A 6 -5.417 3.106 -12.703 1.00 0.00 C ATOM 53 OG SER A 6 -4.615 3.690 -11.692 1.00 0.00 O ATOM 0 H SER A 6 -6.265 1.522 -10.093 1.00 0.00 H new ATOM 0 HA SER A 6 -7.254 2.316 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.782 2.742 -13.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.075 3.862 -13.131 1.00 0.00 H new ATOM 0 HG SER A 6 -4.089 4.423 -12.074 1.00 0.00 H new ATOM 59 N GLY A 7 -7.066 1.135 -14.279 1.00 0.00 N ATOM 60 CA GLY A 7 -7.240 0.153 -15.333 1.00 0.00 C ATOM 61 C GLY A 7 -6.930 0.715 -16.706 1.00 0.00 C ATOM 62 O GLY A 7 -7.829 1.163 -17.419 1.00 0.00 O ATOM 0 H GLY A 7 -7.513 2.035 -14.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.592 -0.702 -15.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.266 -0.214 -15.317 1.00 0.00 H new ATOM 66 N LYS A 8 -5.655 0.695 -17.079 1.00 0.00 N ATOM 67 CA LYS A 8 -5.228 1.207 -18.375 1.00 0.00 C ATOM 68 C LYS A 8 -3.739 0.958 -18.595 1.00 0.00 C ATOM 69 O LYS A 8 -3.046 0.461 -17.707 1.00 0.00 O ATOM 70 CB LYS A 8 -5.526 2.705 -18.478 1.00 0.00 C ATOM 71 CG LYS A 8 -6.146 3.112 -19.804 1.00 0.00 C ATOM 72 CD LYS A 8 -7.626 3.425 -19.654 1.00 0.00 C ATOM 73 CE LYS A 8 -8.243 3.845 -20.979 1.00 0.00 C ATOM 74 NZ LYS A 8 -9.170 2.809 -21.513 1.00 0.00 N ATOM 0 H LYS A 8 -4.899 0.329 -16.501 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.785 0.678 -19.148 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.199 2.989 -17.669 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.600 3.262 -18.333 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.626 3.986 -20.197 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.014 2.310 -20.530 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.147 2.548 -19.270 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.758 4.221 -18.921 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.783 4.782 -20.847 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.452 4.033 -21.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.570 3.133 -22.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.649 1.921 -21.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.940 2.648 -20.832 1.00 0.00 H new ATOM 88 N TYR A 9 -3.255 1.307 -19.781 1.00 0.00 N ATOM 89 CA TYR A 9 -1.848 1.121 -20.117 1.00 0.00 C ATOM 90 C TYR A 9 -1.495 1.853 -21.408 1.00 0.00 C ATOM 91 O TYR A 9 -2.295 1.913 -22.342 1.00 0.00 O ATOM 92 CB TYR A 9 -1.530 -0.369 -20.259 1.00 0.00 C ATOM 93 CG TYR A 9 -2.124 -1.000 -21.498 1.00 0.00 C ATOM 94 CD1 TYR A 9 -3.462 -1.372 -21.539 1.00 0.00 C ATOM 95 CD2 TYR A 9 -1.347 -1.225 -22.628 1.00 0.00 C ATOM 96 CE1 TYR A 9 -4.009 -1.949 -22.668 1.00 0.00 C ATOM 97 CE2 TYR A 9 -1.886 -1.800 -23.762 1.00 0.00 C ATOM 98 CZ TYR A 9 -3.217 -2.161 -23.778 1.00 0.00 C ATOM 99 OH TYR A 9 -3.758 -2.735 -24.905 1.00 0.00 O ATOM 0 H TYR A 9 -3.816 1.720 -20.526 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.248 1.539 -19.308 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.448 -0.501 -20.278 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.900 -0.896 -19.380 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.085 -1.207 -20.673 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.304 -0.945 -22.619 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.051 -2.233 -22.682 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.268 -1.966 -24.632 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.067 -2.813 -25.596 1.00 0.00 H new ATOM 109 N THR A 10 -0.288 2.410 -21.454 1.00 0.00 N ATOM 110 CA THR A 10 0.174 3.139 -22.628 1.00 0.00 C ATOM 111 C THR A 10 1.463 2.539 -23.176 1.00 0.00 C ATOM 112 O THR A 10 2.157 1.797 -22.481 1.00 0.00 O ATOM 113 CB THR A 10 0.409 4.627 -22.308 1.00 0.00 C ATOM 114 OG1 THR A 10 0.652 4.795 -20.907 1.00 0.00 O ATOM 115 CG2 THR A 10 -0.790 5.466 -22.724 1.00 0.00 C ATOM 0 H THR A 10 0.387 2.370 -20.691 1.00 0.00 H new ATOM 0 HA THR A 10 -0.610 3.056 -23.380 1.00 0.00 H new ATOM 0 HB THR A 10 1.280 4.963 -22.870 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.802 5.744 -20.712 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.601 6.513 -22.488 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.954 5.360 -23.796 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.675 5.127 -22.186 1.00 0.00 H new ATOM 123 N GLN A 11 1.778 2.865 -24.426 1.00 0.00 N ATOM 124 CA GLN A 11 2.985 2.357 -25.066 1.00 0.00 C ATOM 125 C GLN A 11 4.224 3.071 -24.537 1.00 0.00 C ATOM 126 O GLN A 11 4.372 4.281 -24.700 1.00 0.00 O ATOM 127 CB GLN A 11 2.893 2.527 -26.584 1.00 0.00 C ATOM 128 CG GLN A 11 1.645 1.906 -27.191 1.00 0.00 C ATOM 129 CD GLN A 11 0.500 2.893 -27.308 1.00 0.00 C ATOM 130 OE1 GLN A 11 0.684 4.026 -27.755 1.00 0.00 O ATOM 131 NE2 GLN A 11 -0.692 2.467 -26.907 1.00 0.00 N ATOM 0 H GLN A 11 1.214 3.478 -25.015 1.00 0.00 H new ATOM 0 HA GLN A 11 3.071 1.296 -24.831 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.913 3.590 -26.824 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.773 2.079 -27.045 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.883 1.513 -28.179 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.330 1.061 -26.579 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.799 1.520 -26.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.500 3.087 -26.963 1.00 0.00 H new ATOM 140 N ASN A 12 5.111 2.313 -23.901 1.00 0.00 N ATOM 141 CA ASN A 12 6.338 2.874 -23.346 1.00 0.00 C ATOM 142 C ASN A 12 7.561 2.119 -23.858 1.00 0.00 C ATOM 143 O ASN A 12 7.436 1.122 -24.568 1.00 0.00 O ATOM 144 CB ASN A 12 6.298 2.828 -21.817 1.00 0.00 C ATOM 145 CG ASN A 12 6.323 4.211 -21.196 1.00 0.00 C ATOM 146 OD1 ASN A 12 7.353 4.660 -20.695 1.00 0.00 O ATOM 147 ND2 ASN A 12 5.184 4.893 -21.228 1.00 0.00 N ATOM 0 H ASN A 12 5.003 1.309 -23.757 1.00 0.00 H new ATOM 0 HA ASN A 12 6.413 3.912 -23.669 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.398 2.305 -21.495 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.149 2.253 -21.451 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.139 5.830 -20.826 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.354 4.480 -21.654 1.00 0.00 H new ATOM 154 N ASN A 13 8.744 2.602 -23.490 1.00 0.00 N ATOM 155 CA ASN A 13 9.990 1.973 -23.912 1.00 0.00 C ATOM 156 C ASN A 13 10.437 0.920 -22.902 1.00 0.00 C ATOM 157 O ASN A 13 11.021 -0.100 -23.269 1.00 0.00 O ATOM 158 CB ASN A 13 11.085 3.028 -24.083 1.00 0.00 C ATOM 159 CG ASN A 13 12.089 2.650 -25.155 1.00 0.00 C ATOM 160 OD1 ASN A 13 12.046 1.547 -25.701 1.00 0.00 O ATOM 161 ND2 ASN A 13 13.000 3.566 -25.462 1.00 0.00 N ATOM 0 H ASN A 13 8.865 3.426 -22.901 1.00 0.00 H new ATOM 0 HA ASN A 13 9.814 1.482 -24.869 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.628 3.984 -24.338 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.604 3.166 -23.135 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.701 3.369 -26.176 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.998 4.467 -24.984 1.00 0.00 H new ATOM 168 N PHE A 14 10.157 1.174 -21.628 1.00 0.00 N ATOM 169 CA PHE A 14 10.530 0.248 -20.564 1.00 0.00 C ATOM 170 C PHE A 14 9.344 -0.623 -20.161 1.00 0.00 C ATOM 171 O PHE A 14 8.209 -0.372 -20.569 1.00 0.00 O ATOM 172 CB PHE A 14 11.049 1.018 -19.348 1.00 0.00 C ATOM 173 CG PHE A 14 12.142 1.994 -19.679 1.00 0.00 C ATOM 174 CD1 PHE A 14 13.345 1.554 -20.208 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.968 3.351 -19.459 1.00 0.00 C ATOM 176 CE1 PHE A 14 14.353 2.449 -20.514 1.00 0.00 C ATOM 177 CE2 PHE A 14 12.972 4.250 -19.762 1.00 0.00 C ATOM 178 CZ PHE A 14 14.166 3.799 -20.289 1.00 0.00 C ATOM 0 H PHE A 14 9.673 2.013 -21.307 1.00 0.00 H new ATOM 0 HA PHE A 14 11.322 -0.399 -20.940 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.220 1.555 -18.887 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.419 0.308 -18.609 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.497 0.499 -20.383 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.037 3.710 -19.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.285 2.093 -20.928 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.823 5.305 -19.587 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.952 4.501 -20.525 1.00 0.00 H new ATOM 188 N ILE A 15 9.615 -1.646 -19.357 1.00 0.00 N ATOM 189 CA ILE A 15 8.571 -2.553 -18.898 1.00 0.00 C ATOM 190 C ILE A 15 8.694 -2.821 -17.402 1.00 0.00 C ATOM 191 O ILE A 15 9.787 -3.070 -16.892 1.00 0.00 O ATOM 192 CB ILE A 15 8.618 -3.894 -19.654 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.496 -4.816 -19.172 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.974 -4.559 -19.468 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.348 -6.072 -20.001 1.00 0.00 C ATOM 0 H ILE A 15 10.548 -1.867 -19.010 1.00 0.00 H new ATOM 0 HA ILE A 15 7.618 -2.065 -19.100 1.00 0.00 H new ATOM 0 HB ILE A 15 8.472 -3.701 -20.717 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.686 -5.095 -18.136 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.554 -4.267 -19.187 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.992 -5.506 -20.008 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.756 -3.905 -19.855 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.147 -4.743 -18.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.534 -6.678 -19.602 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.127 -5.802 -21.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.276 -6.643 -19.966 1.00 0.00 H new ATOM 207 N THR A 16 7.565 -2.770 -16.702 1.00 0.00 N ATOM 208 CA THR A 16 7.546 -3.008 -15.264 1.00 0.00 C ATOM 209 C THR A 16 8.040 -4.411 -14.932 1.00 0.00 C ATOM 210 O THR A 16 7.692 -5.378 -15.608 1.00 0.00 O ATOM 211 CB THR A 16 6.132 -2.823 -14.683 1.00 0.00 C ATOM 212 OG1 THR A 16 5.239 -2.364 -15.704 1.00 0.00 O ATOM 213 CG2 THR A 16 6.146 -1.829 -13.531 1.00 0.00 C ATOM 0 H THR A 16 6.652 -2.566 -17.108 1.00 0.00 H new ATOM 0 HA THR A 16 8.215 -2.275 -14.814 1.00 0.00 H new ATOM 0 HB THR A 16 5.789 -3.787 -14.307 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.342 -2.251 -15.327 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.136 -1.715 -13.137 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.804 -2.195 -12.743 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.508 -0.864 -13.887 1.00 0.00 H new ATOM 221 N GLY A 17 8.854 -4.515 -13.886 1.00 0.00 N ATOM 222 CA GLY A 17 9.382 -5.805 -13.482 1.00 0.00 C ATOM 223 C GLY A 17 8.292 -6.833 -13.255 1.00 0.00 C ATOM 224 O GLY A 17 8.255 -7.868 -13.920 1.00 0.00 O ATOM 0 H GLY A 17 9.157 -3.729 -13.311 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.067 -6.170 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.961 -5.686 -12.566 1.00 0.00 H new ATOM 228 N VAL A 18 7.400 -6.548 -12.311 1.00 0.00 N ATOM 229 CA VAL A 18 6.303 -7.456 -11.997 1.00 0.00 C ATOM 230 C VAL A 18 5.535 -7.846 -13.255 1.00 0.00 C ATOM 231 O VAL A 18 4.979 -8.941 -13.341 1.00 0.00 O ATOM 232 CB VAL A 18 5.326 -6.827 -10.986 1.00 0.00 C ATOM 233 CG1 VAL A 18 4.645 -5.607 -11.589 1.00 0.00 C ATOM 234 CG2 VAL A 18 4.297 -7.851 -10.531 1.00 0.00 C ATOM 0 H VAL A 18 7.416 -5.696 -11.751 1.00 0.00 H new ATOM 0 HA VAL A 18 6.747 -8.348 -11.555 1.00 0.00 H new ATOM 0 HB VAL A 18 5.893 -6.503 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.959 -5.176 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.398 -4.867 -11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.090 -5.903 -12.479 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.615 -7.389 -9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.733 -8.208 -11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.805 -8.691 -10.057 1.00 0.00 H new ATOM 244 N ARG A 19 5.508 -6.942 -14.229 1.00 0.00 N ATOM 245 CA ARG A 19 4.807 -7.191 -15.483 1.00 0.00 C ATOM 246 C ARG A 19 5.542 -8.234 -16.319 1.00 0.00 C ATOM 247 O ARG A 19 4.931 -9.159 -16.853 1.00 0.00 O ATOM 248 CB ARG A 19 4.665 -5.892 -16.279 1.00 0.00 C ATOM 249 CG ARG A 19 3.250 -5.337 -16.291 1.00 0.00 C ATOM 250 CD ARG A 19 2.967 -4.560 -17.567 1.00 0.00 C ATOM 251 NE ARG A 19 2.230 -3.327 -17.305 1.00 0.00 N ATOM 252 CZ ARG A 19 0.948 -3.296 -16.958 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.265 -4.426 -16.832 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.347 -2.134 -16.737 1.00 0.00 N ATOM 0 H ARG A 19 5.963 -6.031 -14.174 1.00 0.00 H new ATOM 0 HA ARG A 19 3.815 -7.574 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.336 -5.143 -15.859 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.986 -6.068 -17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.536 -6.155 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.106 -4.687 -15.428 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.908 -4.321 -18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.395 -5.185 -18.253 1.00 0.00 H new ATOM 0 HE ARG A 19 2.727 -2.441 -17.393 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.724 -5.321 -17.002 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.719 -4.400 -16.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.869 -1.263 -16.833 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.637 -2.111 -16.471 1.00 0.00 H new ATOM 268 N ALA A 20 6.857 -8.079 -16.427 1.00 0.00 N ATOM 269 CA ALA A 20 7.676 -9.008 -17.196 1.00 0.00 C ATOM 270 C ALA A 20 7.735 -10.374 -16.523 1.00 0.00 C ATOM 271 O ALA A 20 7.820 -11.404 -17.193 1.00 0.00 O ATOM 272 CB ALA A 20 9.078 -8.447 -17.381 1.00 0.00 C ATOM 0 H ALA A 20 7.379 -7.318 -15.991 1.00 0.00 H new ATOM 0 HA ALA A 20 7.215 -9.135 -18.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.679 -9.151 -17.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.023 -7.497 -17.913 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.539 -8.290 -16.406 1.00 0.00 H new ATOM 278 N ILE A 21 7.690 -10.377 -15.195 1.00 0.00 N ATOM 279 CA ILE A 21 7.738 -11.618 -14.432 1.00 0.00 C ATOM 280 C ILE A 21 6.431 -12.394 -14.561 1.00 0.00 C ATOM 281 O ILE A 21 6.408 -13.616 -14.429 1.00 0.00 O ATOM 282 CB ILE A 21 8.019 -11.352 -12.941 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.341 -10.600 -12.776 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.047 -12.660 -12.166 1.00 0.00 C ATOM 285 CD1 ILE A 21 9.497 -9.942 -11.422 1.00 0.00 C ATOM 0 H ILE A 21 7.620 -9.534 -14.625 1.00 0.00 H new ATOM 0 HA ILE A 21 8.553 -12.212 -14.847 1.00 0.00 H new ATOM 0 HB ILE A 21 7.217 -10.732 -12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.167 -11.295 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.416 -9.838 -13.552 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.247 -12.455 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.083 -13.160 -12.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.831 -13.303 -12.566 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.457 -9.427 -11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.692 -9.222 -11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.455 -10.702 -10.641 1.00 0.00 H new ATOM 297 N ASN A 22 5.345 -11.673 -14.821 1.00 0.00 N ATOM 298 CA ASN A 22 4.034 -12.293 -14.969 1.00 0.00 C ATOM 299 C ASN A 22 3.762 -12.649 -16.427 1.00 0.00 C ATOM 300 O ASN A 22 2.993 -13.564 -16.720 1.00 0.00 O ATOM 301 CB ASN A 22 2.941 -11.357 -14.448 1.00 0.00 C ATOM 302 CG ASN A 22 2.504 -11.706 -13.039 1.00 0.00 C ATOM 303 OD1 ASN A 22 1.656 -12.575 -12.837 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.082 -11.027 -12.055 1.00 0.00 N ATOM 0 H ASN A 22 5.347 -10.659 -14.933 1.00 0.00 H new ATOM 0 HA ASN A 22 4.026 -13.211 -14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.306 -10.330 -14.468 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.080 -11.402 -15.114 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.828 -11.218 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.780 -10.315 -12.268 1.00 0.00 H new ATOM 311 N GLU A 23 4.399 -11.919 -17.337 1.00 0.00 N ATOM 312 CA GLU A 23 4.225 -12.158 -18.765 1.00 0.00 C ATOM 313 C GLU A 23 5.214 -13.206 -19.266 1.00 0.00 C ATOM 314 O GLU A 23 4.820 -14.244 -19.798 1.00 0.00 O ATOM 315 CB GLU A 23 4.406 -10.855 -19.548 1.00 0.00 C ATOM 316 CG GLU A 23 3.304 -9.838 -19.300 1.00 0.00 C ATOM 317 CD GLU A 23 3.732 -8.422 -19.633 1.00 0.00 C ATOM 318 OE1 GLU A 23 4.823 -8.011 -19.185 1.00 0.00 O ATOM 319 OE2 GLU A 23 2.976 -7.725 -20.341 1.00 0.00 O ATOM 0 H GLU A 23 5.040 -11.158 -17.111 1.00 0.00 H new ATOM 0 HA GLU A 23 3.214 -12.533 -18.924 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.365 -10.411 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.445 -11.083 -20.613 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.431 -10.100 -19.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.000 -9.885 -18.254 1.00 0.00 H new ATOM 326 N PHE A 24 6.502 -12.927 -19.092 1.00 0.00 N ATOM 327 CA PHE A 24 7.549 -13.845 -19.527 1.00 0.00 C ATOM 328 C PHE A 24 7.642 -15.046 -18.591 1.00 0.00 C ATOM 329 O PHE A 24 8.241 -16.067 -18.932 1.00 0.00 O ATOM 330 CB PHE A 24 8.897 -13.123 -19.585 1.00 0.00 C ATOM 331 CG PHE A 24 8.949 -12.034 -20.619 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.357 -10.805 -20.379 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.592 -12.240 -21.829 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.404 -9.802 -21.329 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.642 -11.241 -22.782 1.00 0.00 C ATOM 336 CZ PHE A 24 9.048 -10.019 -22.531 1.00 0.00 C ATOM 0 H PHE A 24 6.846 -12.073 -18.653 1.00 0.00 H new ATOM 0 HA PHE A 24 7.293 -14.203 -20.524 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.113 -12.695 -18.606 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.681 -13.850 -19.795 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.854 -10.629 -19.440 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.060 -13.193 -22.029 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.937 -8.849 -21.131 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.145 -11.415 -23.722 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.087 -9.235 -23.273 1.00 0.00 H new ATOM 346 N CYS A 25 7.047 -14.916 -17.410 1.00 0.00 N ATOM 347 CA CYS A 25 7.064 -15.990 -16.423 1.00 0.00 C ATOM 348 C CYS A 25 8.495 -16.368 -16.055 1.00 0.00 C ATOM 349 O CYS A 25 8.914 -17.512 -16.239 1.00 0.00 O ATOM 350 CB CYS A 25 6.322 -17.215 -16.960 1.00 0.00 C ATOM 351 SG CYS A 25 4.526 -17.133 -16.769 1.00 0.00 S ATOM 0 H CYS A 25 6.547 -14.078 -17.113 1.00 0.00 H new ATOM 0 HA CYS A 25 6.560 -15.633 -15.525 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.559 -17.335 -18.017 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.691 -18.103 -16.447 1.00 0.00 H new ATOM 0 HG CYS A 25 3.988 -18.212 -17.255 1.00 0.00 H new ATOM 357 N LEU A 26 9.242 -15.400 -15.536 1.00 0.00 N ATOM 358 CA LEU A 26 10.628 -15.630 -15.144 1.00 0.00 C ATOM 359 C LEU A 26 10.764 -15.671 -13.625 1.00 0.00 C ATOM 360 O LEU A 26 9.768 -15.692 -12.902 1.00 0.00 O ATOM 361 CB LEU A 26 11.530 -14.537 -15.719 1.00 0.00 C ATOM 362 CG LEU A 26 11.325 -14.207 -17.198 1.00 0.00 C ATOM 363 CD1 LEU A 26 11.869 -12.823 -17.516 1.00 0.00 C ATOM 364 CD2 LEU A 26 11.990 -15.258 -18.076 1.00 0.00 C ATOM 0 H LEU A 26 8.911 -14.448 -15.377 1.00 0.00 H new ATOM 0 HA LEU A 26 10.938 -16.595 -15.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.378 -13.626 -15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.568 -14.837 -15.575 1.00 0.00 H new ATOM 0 HG LEU A 26 10.255 -14.212 -17.407 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.714 -12.605 -18.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.348 -12.080 -16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.935 -12.791 -17.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.834 -15.007 -19.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.059 -15.285 -17.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.554 -16.235 -17.868 1.00 0.00 H new ATOM 376 N LYS A 27 12.004 -15.680 -13.147 1.00 0.00 N ATOM 377 CA LYS A 27 12.272 -15.714 -11.715 1.00 0.00 C ATOM 378 C LYS A 27 12.446 -14.304 -11.160 1.00 0.00 C ATOM 379 O LYS A 27 12.901 -13.401 -11.863 1.00 0.00 O ATOM 380 CB LYS A 27 13.526 -16.543 -11.429 1.00 0.00 C ATOM 381 CG LYS A 27 13.236 -17.867 -10.743 1.00 0.00 C ATOM 382 CD LYS A 27 13.671 -19.046 -11.598 1.00 0.00 C ATOM 383 CE LYS A 27 12.777 -19.209 -12.818 1.00 0.00 C ATOM 384 NZ LYS A 27 11.547 -19.986 -12.504 1.00 0.00 N ATOM 0 H LYS A 27 12.840 -15.664 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 27 11.417 -16.177 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.046 -16.736 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.202 -15.960 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.753 -17.902 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.169 -17.943 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.703 -18.904 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.645 -19.958 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.499 -18.226 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.332 -19.712 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.964 -20.075 -13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.812 -20.933 -12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.004 -19.494 -11.766 1.00 0.00 H new ATOM 398 N SER A 28 12.081 -14.121 -9.894 1.00 0.00 N ATOM 399 CA SER A 28 12.195 -12.820 -9.246 1.00 0.00 C ATOM 400 C SER A 28 13.649 -12.360 -9.203 1.00 0.00 C ATOM 401 O SER A 28 13.940 -11.172 -9.344 1.00 0.00 O ATOM 402 CB SER A 28 11.625 -12.882 -7.827 1.00 0.00 C ATOM 403 OG SER A 28 10.871 -14.065 -7.632 1.00 0.00 O ATOM 0 H SER A 28 11.704 -14.858 -9.298 1.00 0.00 H new ATOM 0 HA SER A 28 11.622 -12.099 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.439 -12.842 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.995 -12.011 -7.647 1.00 0.00 H new ATOM 0 HG SER A 28 10.519 -14.082 -6.717 1.00 0.00 H new ATOM 409 N SER A 29 14.558 -13.309 -9.006 1.00 0.00 N ATOM 410 CA SER A 29 15.982 -13.002 -8.940 1.00 0.00 C ATOM 411 C SER A 29 16.541 -12.715 -10.330 1.00 0.00 C ATOM 412 O SER A 29 17.431 -11.880 -10.493 1.00 0.00 O ATOM 413 CB SER A 29 16.746 -14.162 -8.300 1.00 0.00 C ATOM 414 OG SER A 29 17.182 -13.828 -6.993 1.00 0.00 O ATOM 0 H SER A 29 14.334 -14.297 -8.889 1.00 0.00 H new ATOM 0 HA SER A 29 16.108 -12.110 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.107 -15.044 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.606 -14.420 -8.918 1.00 0.00 H new ATOM 0 HG SER A 29 17.666 -14.587 -6.606 1.00 0.00 H new ATOM 420 N ASP A 30 16.012 -13.414 -11.329 1.00 0.00 N ATOM 421 CA ASP A 30 16.457 -13.235 -12.706 1.00 0.00 C ATOM 422 C ASP A 30 16.392 -11.765 -13.111 1.00 0.00 C ATOM 423 O ASP A 30 17.380 -11.195 -13.577 1.00 0.00 O ATOM 424 CB ASP A 30 15.600 -14.076 -13.654 1.00 0.00 C ATOM 425 CG ASP A 30 16.110 -15.498 -13.787 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.144 -15.818 -13.164 1.00 0.00 O ATOM 427 OD2 ASP A 30 15.473 -16.290 -14.512 1.00 0.00 O ATOM 0 H ASP A 30 15.275 -14.109 -11.211 1.00 0.00 H new ATOM 0 HA ASP A 30 17.493 -13.567 -12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.572 -14.094 -13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.582 -13.606 -14.637 1.00 0.00 H new ATOM 432 N LEU A 31 15.225 -11.158 -12.932 1.00 0.00 N ATOM 433 CA LEU A 31 15.031 -9.755 -13.280 1.00 0.00 C ATOM 434 C LEU A 31 16.107 -8.882 -12.642 1.00 0.00 C ATOM 435 O LEU A 31 16.677 -8.008 -13.295 1.00 0.00 O ATOM 436 CB LEU A 31 13.645 -9.285 -12.832 1.00 0.00 C ATOM 437 CG LEU A 31 12.503 -9.526 -13.820 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.641 -8.613 -15.028 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.471 -10.984 -14.252 1.00 0.00 C ATOM 0 H LEU A 31 14.398 -11.615 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 31 15.108 -9.661 -14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.399 -9.784 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.696 -8.217 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 31 11.562 -9.295 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.820 -8.799 -15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.614 -7.573 -14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.589 -8.812 -15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.652 -11.137 -14.955 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.415 -11.242 -14.732 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.323 -11.619 -13.379 1.00 0.00 H new ATOM 451 N GLU A 32 16.381 -9.128 -11.365 1.00 0.00 N ATOM 452 CA GLU A 32 17.390 -8.364 -10.641 1.00 0.00 C ATOM 453 C GLU A 32 18.732 -8.412 -11.366 1.00 0.00 C ATOM 454 O GLU A 32 19.494 -7.445 -11.345 1.00 0.00 O ATOM 455 CB GLU A 32 17.547 -8.906 -9.218 1.00 0.00 C ATOM 456 CG GLU A 32 16.246 -8.944 -8.434 1.00 0.00 C ATOM 457 CD GLU A 32 16.362 -8.274 -7.079 1.00 0.00 C ATOM 458 OE1 GLU A 32 17.338 -8.563 -6.356 1.00 0.00 O ATOM 459 OE2 GLU A 32 15.476 -7.462 -6.740 1.00 0.00 O ATOM 0 H GLU A 32 15.919 -9.849 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 32 17.059 -7.326 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.962 -9.913 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 18.267 -8.289 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.463 -8.453 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.939 -9.981 -8.297 1.00 0.00 H new ATOM 466 N GLN A 33 19.014 -9.543 -12.004 1.00 0.00 N ATOM 467 CA GLN A 33 20.264 -9.717 -12.734 1.00 0.00 C ATOM 468 C GLN A 33 20.420 -8.646 -13.809 1.00 0.00 C ATOM 469 O GLN A 33 21.532 -8.209 -14.108 1.00 0.00 O ATOM 470 CB GLN A 33 20.318 -11.107 -13.370 1.00 0.00 C ATOM 471 CG GLN A 33 21.731 -11.642 -13.544 1.00 0.00 C ATOM 472 CD GLN A 33 21.987 -12.891 -12.724 1.00 0.00 C ATOM 473 OE1 GLN A 33 21.107 -13.739 -12.573 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.196 -13.011 -12.189 1.00 0.00 N ATOM 0 H GLN A 33 18.394 -10.352 -12.030 1.00 0.00 H new ATOM 0 HA GLN A 33 21.086 -9.617 -12.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 19.749 -11.802 -12.753 1.00 0.00 H new ATOM 0 HB3 GLN A 33 19.829 -11.071 -14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.905 -11.861 -14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.445 -10.871 -13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.895 -12.284 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.426 -13.831 -11.627 1.00 0.00 H new ATOM 483 N LEU A 34 19.300 -8.228 -14.388 1.00 0.00 N ATOM 484 CA LEU A 34 19.312 -7.208 -15.431 1.00 0.00 C ATOM 485 C LEU A 34 19.623 -5.835 -14.845 1.00 0.00 C ATOM 486 O LEU A 34 19.639 -5.657 -13.627 1.00 0.00 O ATOM 487 CB LEU A 34 17.964 -7.173 -16.153 1.00 0.00 C ATOM 488 CG LEU A 34 17.507 -8.488 -16.786 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.041 -8.410 -17.182 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.370 -8.827 -17.993 1.00 0.00 C ATOM 0 H LEU A 34 18.372 -8.580 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 34 20.094 -7.464 -16.146 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.202 -6.851 -15.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.013 -6.414 -16.934 1.00 0.00 H new ATOM 0 HG LEU A 34 17.620 -9.282 -16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.735 -9.355 -17.631 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.435 -8.215 -16.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.901 -7.604 -17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.031 -9.766 -18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.289 -8.031 -18.733 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.409 -8.927 -17.680 1.00 0.00 H new ATOM 502 N ARG A 35 19.868 -4.866 -15.721 1.00 0.00 N ATOM 503 CA ARG A 35 20.178 -3.507 -15.291 1.00 0.00 C ATOM 504 C ARG A 35 18.948 -2.833 -14.691 1.00 0.00 C ATOM 505 O ARG A 35 17.989 -2.525 -15.397 1.00 0.00 O ATOM 506 CB ARG A 35 20.701 -2.683 -16.470 1.00 0.00 C ATOM 507 CG ARG A 35 21.478 -1.446 -16.051 1.00 0.00 C ATOM 508 CD ARG A 35 21.920 -0.631 -17.256 1.00 0.00 C ATOM 509 NE ARG A 35 23.219 0.001 -17.042 1.00 0.00 N ATOM 510 CZ ARG A 35 23.389 1.106 -16.324 1.00 0.00 C ATOM 511 NH1 ARG A 35 22.348 1.697 -15.754 1.00 0.00 N ATOM 512 NH2 ARG A 35 24.602 1.622 -16.175 1.00 0.00 N ATOM 0 H ARG A 35 19.858 -4.996 -16.733 1.00 0.00 H new ATOM 0 HA ARG A 35 20.951 -3.562 -14.524 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.342 -3.313 -17.087 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.859 -2.379 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.858 -0.829 -15.400 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.352 -1.743 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.971 -1.278 -18.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.175 0.135 -17.469 1.00 0.00 H new ATOM 0 HE ARG A 35 24.040 -0.429 -17.467 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.414 1.303 -15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.481 2.545 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.406 1.170 -16.612 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.731 2.470 -15.624 1.00 0.00 H new ATOM 526 N LYS A 36 18.984 -2.608 -13.382 1.00 0.00 N ATOM 527 CA LYS A 36 17.873 -1.970 -12.685 1.00 0.00 C ATOM 528 C LYS A 36 17.691 -0.530 -13.155 1.00 0.00 C ATOM 529 O LYS A 36 18.408 0.370 -12.719 1.00 0.00 O ATOM 530 CB LYS A 36 18.110 -1.998 -11.173 1.00 0.00 C ATOM 531 CG LYS A 36 17.362 -3.111 -10.461 1.00 0.00 C ATOM 532 CD LYS A 36 18.013 -4.463 -10.702 1.00 0.00 C ATOM 533 CE LYS A 36 19.028 -4.794 -9.618 1.00 0.00 C ATOM 534 NZ LYS A 36 20.369 -4.222 -9.921 1.00 0.00 N ATOM 0 H LYS A 36 19.770 -2.858 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 36 16.964 -2.526 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.177 -2.110 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 36 17.809 -1.040 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.334 -2.905 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.329 -3.136 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.246 -5.237 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.505 -4.463 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.676 -4.408 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.110 -5.876 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.100 -4.771 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.540 -4.263 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.404 -3.232 -9.604 1.00 0.00 H new ATOM 548 N ILE A 37 16.726 -0.321 -14.044 1.00 0.00 N ATOM 549 CA ILE A 37 16.449 1.010 -14.571 1.00 0.00 C ATOM 550 C ILE A 37 15.730 1.871 -13.538 1.00 0.00 C ATOM 551 O ILE A 37 14.512 2.037 -13.593 1.00 0.00 O ATOM 552 CB ILE A 37 15.594 0.942 -15.850 1.00 0.00 C ATOM 553 CG1 ILE A 37 16.193 -0.061 -16.838 1.00 0.00 C ATOM 554 CG2 ILE A 37 15.483 2.319 -16.487 1.00 0.00 C ATOM 555 CD1 ILE A 37 17.612 0.269 -17.248 1.00 0.00 C ATOM 0 H ILE A 37 16.123 -1.056 -14.414 1.00 0.00 H new ATOM 0 HA ILE A 37 17.412 1.461 -14.811 1.00 0.00 H new ATOM 0 HB ILE A 37 14.593 0.605 -15.582 1.00 0.00 H new ATOM 0 HG12 ILE A 37 16.174 -1.055 -16.391 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.566 -0.100 -17.729 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.876 2.254 -17.390 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.016 3.009 -15.784 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.478 2.682 -16.744 1.00 0.00 H new ATOM 0 HD11 ILE A 37 17.973 -0.484 -17.949 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.634 1.249 -17.725 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.252 0.280 -16.366 1.00 0.00 H new ATOM 567 N ARG A 38 16.493 2.417 -12.597 1.00 0.00 N ATOM 568 CA ARG A 38 15.930 3.262 -11.551 1.00 0.00 C ATOM 569 C ARG A 38 15.216 4.469 -12.153 1.00 0.00 C ATOM 570 O ARG A 38 15.794 5.213 -12.946 1.00 0.00 O ATOM 571 CB ARG A 38 17.029 3.730 -10.596 1.00 0.00 C ATOM 572 CG ARG A 38 17.331 2.740 -9.482 1.00 0.00 C ATOM 573 CD ARG A 38 16.765 3.210 -8.151 1.00 0.00 C ATOM 574 NE ARG A 38 17.252 2.405 -7.035 1.00 0.00 N ATOM 575 CZ ARG A 38 16.778 1.200 -6.736 1.00 0.00 C ATOM 576 NH1 ARG A 38 15.810 0.665 -7.467 1.00 0.00 N ATOM 577 NH2 ARG A 38 17.272 0.529 -5.704 1.00 0.00 N ATOM 0 H ARG A 38 17.503 2.289 -12.538 1.00 0.00 H new ATOM 0 HA ARG A 38 15.203 2.671 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.940 3.912 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.734 4.682 -10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.910 1.767 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.409 2.608 -9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.035 4.254 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.676 3.164 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 38 17.997 2.788 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.427 1.178 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.448 -0.260 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.016 0.938 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.907 -0.396 -5.475 1.00 0.00 H new ATOM 591 N ARG A 39 13.957 4.657 -11.771 1.00 0.00 N ATOM 592 CA ARG A 39 13.164 5.772 -12.274 1.00 0.00 C ATOM 593 C ARG A 39 12.379 6.434 -11.145 1.00 0.00 C ATOM 594 O ARG A 39 11.901 5.762 -10.231 1.00 0.00 O ATOM 595 CB ARG A 39 12.205 5.292 -13.364 1.00 0.00 C ATOM 596 CG ARG A 39 12.366 6.028 -14.685 1.00 0.00 C ATOM 597 CD ARG A 39 13.440 5.389 -15.551 1.00 0.00 C ATOM 598 NE ARG A 39 14.529 6.316 -15.844 1.00 0.00 N ATOM 599 CZ ARG A 39 14.448 7.282 -16.753 1.00 0.00 C ATOM 600 NH1 ARG A 39 13.333 7.447 -17.451 1.00 0.00 N ATOM 601 NH2 ARG A 39 15.482 8.086 -16.963 1.00 0.00 N ATOM 0 H ARG A 39 13.464 4.051 -11.115 1.00 0.00 H new ATOM 0 HA ARG A 39 13.846 6.508 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.362 4.226 -13.530 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.180 5.413 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.417 6.028 -15.221 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.624 7.070 -14.493 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.839 4.510 -15.045 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.996 5.045 -16.485 1.00 0.00 H new ATOM 0 HE ARG A 39 15.400 6.217 -15.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.535 6.832 -17.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.273 8.189 -18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.341 7.963 -16.426 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.418 8.827 -17.661 1.00 0.00 H new ATOM 615 N ARG A 40 12.251 7.755 -11.216 1.00 0.00 N ATOM 616 CA ARG A 40 11.526 8.507 -10.199 1.00 0.00 C ATOM 617 C ARG A 40 10.097 7.992 -10.057 1.00 0.00 C ATOM 618 O ARG A 40 9.316 8.029 -11.008 1.00 0.00 O ATOM 619 CB ARG A 40 11.510 9.996 -10.551 1.00 0.00 C ATOM 620 CG ARG A 40 12.494 10.824 -9.741 1.00 0.00 C ATOM 621 CD ARG A 40 11.787 11.633 -8.664 1.00 0.00 C ATOM 622 NE ARG A 40 12.584 12.776 -8.227 1.00 0.00 N ATOM 623 CZ ARG A 40 12.159 13.673 -7.344 1.00 0.00 C ATOM 624 NH1 ARG A 40 10.952 13.559 -6.807 1.00 0.00 N ATOM 625 NH2 ARG A 40 12.943 14.685 -6.996 1.00 0.00 N ATOM 0 H ARG A 40 12.640 8.326 -11.967 1.00 0.00 H new ATOM 0 HA ARG A 40 12.039 8.370 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.736 10.113 -11.611 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.505 10.387 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.231 10.167 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.038 11.496 -10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.828 11.984 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.575 10.991 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 40 13.518 12.892 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.347 12.781 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.628 14.249 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.872 14.775 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.616 15.373 -6.318 1.00 0.00 H new ATOM 639 N SER A 41 9.763 7.510 -8.864 1.00 0.00 N ATOM 640 CA SER A 41 8.429 6.983 -8.599 1.00 0.00 C ATOM 641 C SER A 41 7.998 7.292 -7.169 1.00 0.00 C ATOM 642 O SER A 41 8.816 7.577 -6.294 1.00 0.00 O ATOM 643 CB SER A 41 8.398 5.472 -8.838 1.00 0.00 C ATOM 644 OG SER A 41 7.746 4.801 -7.775 1.00 0.00 O ATOM 0 H SER A 41 10.397 7.473 -8.066 1.00 0.00 H new ATOM 0 HA SER A 41 7.731 7.466 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.884 5.259 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.416 5.096 -8.940 1.00 0.00 H new ATOM 0 HG SER A 41 7.211 4.062 -8.134 1.00 0.00 H new ATOM 650 N PRO A 42 6.681 7.233 -6.923 1.00 0.00 N ATOM 651 CA PRO A 42 6.109 7.503 -5.600 1.00 0.00 C ATOM 652 C PRO A 42 6.445 6.411 -4.590 1.00 0.00 C ATOM 653 O PRO A 42 6.827 5.302 -4.964 1.00 0.00 O ATOM 654 CB PRO A 42 4.602 7.540 -5.866 1.00 0.00 C ATOM 655 CG PRO A 42 4.411 6.705 -7.085 1.00 0.00 C ATOM 656 CD PRO A 42 5.648 6.899 -7.918 1.00 0.00 C ATOM 0 HA PRO A 42 6.502 8.422 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.041 7.141 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.253 8.560 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.278 5.656 -6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.520 7.012 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.903 5.997 -8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.520 7.698 -8.648 1.00 0.00 H new ATOM 664 N HIS A 43 6.299 6.731 -3.309 1.00 0.00 N ATOM 665 CA HIS A 43 6.586 5.776 -2.244 1.00 0.00 C ATOM 666 C HIS A 43 5.327 5.011 -1.847 1.00 0.00 C ATOM 667 O HIS A 43 5.292 3.783 -1.908 1.00 0.00 O ATOM 668 CB HIS A 43 7.165 6.497 -1.026 1.00 0.00 C ATOM 669 CG HIS A 43 8.546 6.046 -0.664 1.00 0.00 C ATOM 670 ND1 HIS A 43 9.539 5.839 -1.599 1.00 0.00 N ATOM 671 CD2 HIS A 43 9.099 5.764 0.539 1.00 0.00 C ATOM 672 CE1 HIS A 43 10.642 5.447 -0.986 1.00 0.00 C ATOM 673 NE2 HIS A 43 10.402 5.394 0.312 1.00 0.00 N ATOM 0 H HIS A 43 5.984 7.644 -2.982 1.00 0.00 H new ATOM 0 HA HIS A 43 7.321 5.063 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.182 7.569 -1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.505 6.339 -0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.607 5.820 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.581 5.210 -1.465 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.075 5.122 1.029 1.00 0.00 H new ATOM 681 N GLU A 44 4.297 5.746 -1.439 1.00 0.00 N ATOM 682 CA GLU A 44 3.038 5.136 -1.030 1.00 0.00 C ATOM 683 C GLU A 44 2.137 4.887 -2.237 1.00 0.00 C ATOM 684 O GLU A 44 1.369 5.759 -2.641 1.00 0.00 O ATOM 685 CB GLU A 44 2.318 6.028 -0.017 1.00 0.00 C ATOM 686 CG GLU A 44 3.150 6.346 1.214 1.00 0.00 C ATOM 687 CD GLU A 44 2.820 5.447 2.389 1.00 0.00 C ATOM 688 OE1 GLU A 44 2.197 4.387 2.167 1.00 0.00 O ATOM 689 OE2 GLU A 44 3.185 5.802 3.529 1.00 0.00 O ATOM 0 H GLU A 44 4.310 6.764 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 44 3.263 4.178 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.034 6.961 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.396 5.538 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.207 6.245 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.987 7.385 1.499 1.00 0.00 H new ATOM 696 N ASP A 45 2.238 3.691 -2.807 1.00 0.00 N ATOM 697 CA ASP A 45 1.433 3.326 -3.966 1.00 0.00 C ATOM 698 C ASP A 45 1.606 1.849 -4.305 1.00 0.00 C ATOM 699 O ASP A 45 0.651 1.073 -4.255 1.00 0.00 O ATOM 700 CB ASP A 45 1.817 4.187 -5.171 1.00 0.00 C ATOM 701 CG ASP A 45 0.834 5.315 -5.413 1.00 0.00 C ATOM 702 OD1 ASP A 45 -0.381 5.095 -5.226 1.00 0.00 O ATOM 703 OD2 ASP A 45 1.280 6.419 -5.789 1.00 0.00 O ATOM 0 H ASP A 45 2.870 2.958 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 45 0.386 3.503 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.812 4.603 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.871 3.559 -6.060 1.00 0.00 H new ATOM 708 N THR A 46 2.831 1.466 -4.651 1.00 0.00 N ATOM 709 CA THR A 46 3.129 0.083 -5.000 1.00 0.00 C ATOM 710 C THR A 46 4.509 -0.326 -4.497 1.00 0.00 C ATOM 711 O THR A 46 5.174 -1.169 -5.099 1.00 0.00 O ATOM 712 CB THR A 46 3.064 -0.139 -6.523 1.00 0.00 C ATOM 713 OG1 THR A 46 3.748 0.920 -7.202 1.00 0.00 O ATOM 714 CG2 THR A 46 1.621 -0.204 -6.999 1.00 0.00 C ATOM 0 H THR A 46 3.633 2.095 -4.697 1.00 0.00 H new ATOM 0 HA THR A 46 2.371 -0.535 -4.518 1.00 0.00 H new ATOM 0 HB THR A 46 3.548 -1.089 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.704 0.771 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.600 -0.361 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.111 -1.029 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.116 0.732 -6.759 1.00 0.00 H new ATOM 722 N GLU A 47 4.933 0.276 -3.391 1.00 0.00 N ATOM 723 CA GLU A 47 6.235 -0.026 -2.808 1.00 0.00 C ATOM 724 C GLU A 47 7.352 0.203 -3.822 1.00 0.00 C ATOM 725 O GLU A 47 8.349 -0.518 -3.838 1.00 0.00 O ATOM 726 CB GLU A 47 6.273 -1.473 -2.311 1.00 0.00 C ATOM 727 CG GLU A 47 5.072 -1.856 -1.462 1.00 0.00 C ATOM 728 CD GLU A 47 4.737 -0.809 -0.418 1.00 0.00 C ATOM 729 OE1 GLU A 47 3.977 0.128 -0.741 1.00 0.00 O ATOM 730 OE2 GLU A 47 5.236 -0.925 0.720 1.00 0.00 O ATOM 0 H GLU A 47 4.394 0.976 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 47 6.390 0.646 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.329 -2.142 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.182 -1.625 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.208 -2.008 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.270 -2.807 -0.967 1.00 0.00 H new ATOM 737 N SER A 48 7.176 1.213 -4.668 1.00 0.00 N ATOM 738 CA SER A 48 8.166 1.536 -5.689 1.00 0.00 C ATOM 739 C SER A 48 8.349 0.371 -6.657 1.00 0.00 C ATOM 740 O SER A 48 7.785 -0.706 -6.463 1.00 0.00 O ATOM 741 CB SER A 48 9.505 1.888 -5.038 1.00 0.00 C ATOM 742 OG SER A 48 10.043 3.078 -5.589 1.00 0.00 O ATOM 0 H SER A 48 6.357 1.822 -4.667 1.00 0.00 H new ATOM 0 HA SER A 48 7.805 2.398 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.369 2.010 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.209 1.068 -5.179 1.00 0.00 H new ATOM 0 HG SER A 48 10.898 3.282 -5.155 1.00 0.00 H new ATOM 748 N PHE A 49 9.142 0.595 -7.699 1.00 0.00 N ATOM 749 CA PHE A 49 9.400 -0.435 -8.699 1.00 0.00 C ATOM 750 C PHE A 49 10.558 -0.033 -9.608 1.00 0.00 C ATOM 751 O PHE A 49 10.853 1.151 -9.770 1.00 0.00 O ATOM 752 CB PHE A 49 8.144 -0.690 -9.535 1.00 0.00 C ATOM 753 CG PHE A 49 7.539 0.562 -10.104 1.00 0.00 C ATOM 754 CD1 PHE A 49 6.674 1.335 -9.348 1.00 0.00 C ATOM 755 CD2 PHE A 49 7.836 0.965 -11.396 1.00 0.00 C ATOM 756 CE1 PHE A 49 6.116 2.487 -9.868 1.00 0.00 C ATOM 757 CE2 PHE A 49 7.281 2.116 -11.922 1.00 0.00 C ATOM 758 CZ PHE A 49 6.419 2.878 -11.158 1.00 0.00 C ATOM 0 H PHE A 49 9.617 1.480 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 49 9.673 -1.352 -8.178 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.392 -1.368 -10.352 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.402 -1.194 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.433 1.034 -8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.509 0.373 -11.999 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.444 3.081 -9.267 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.521 2.420 -12.930 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.983 3.777 -11.568 1.00 0.00 H new ATOM 768 N THR A 50 11.211 -1.029 -10.199 1.00 0.00 N ATOM 769 CA THR A 50 12.337 -0.781 -11.091 1.00 0.00 C ATOM 770 C THR A 50 12.095 -1.393 -12.466 1.00 0.00 C ATOM 771 O THR A 50 12.276 -2.594 -12.663 1.00 0.00 O ATOM 772 CB THR A 50 13.647 -1.348 -10.512 1.00 0.00 C ATOM 773 OG1 THR A 50 13.828 -0.890 -9.168 1.00 0.00 O ATOM 774 CG2 THR A 50 14.839 -0.931 -11.361 1.00 0.00 C ATOM 0 H THR A 50 10.979 -2.015 -10.076 1.00 0.00 H new ATOM 0 HA THR A 50 12.430 0.301 -11.190 1.00 0.00 H new ATOM 0 HB THR A 50 13.580 -2.436 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.662 -1.257 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.753 -1.343 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.712 -1.307 -12.376 1.00 0.00 H new ATOM 0 HG23 THR A 50 14.907 0.157 -11.383 1.00 0.00 H new ATOM 782 N VAL A 51 11.685 -0.558 -13.416 1.00 0.00 N ATOM 783 CA VAL A 51 11.419 -1.017 -14.774 1.00 0.00 C ATOM 784 C VAL A 51 12.663 -1.640 -15.396 1.00 0.00 C ATOM 785 O VAL A 51 13.772 -1.483 -14.884 1.00 0.00 O ATOM 786 CB VAL A 51 10.933 0.137 -15.671 1.00 0.00 C ATOM 787 CG1 VAL A 51 9.697 0.792 -15.075 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.042 1.157 -15.875 1.00 0.00 C ATOM 0 H VAL A 51 11.530 0.440 -13.270 1.00 0.00 H new ATOM 0 HA VAL A 51 10.634 -1.770 -14.706 1.00 0.00 H new ATOM 0 HB VAL A 51 10.664 -0.272 -16.645 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.368 1.605 -15.722 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.900 0.053 -14.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.935 1.188 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.681 1.965 -16.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.345 1.563 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.896 0.675 -16.350 1.00 0.00 H new ATOM 798 N TYR A 52 12.473 -2.348 -16.504 1.00 0.00 N ATOM 799 CA TYR A 52 13.580 -2.998 -17.196 1.00 0.00 C ATOM 800 C TYR A 52 13.489 -2.770 -18.702 1.00 0.00 C ATOM 801 O TYR A 52 12.496 -2.241 -19.204 1.00 0.00 O ATOM 802 CB TYR A 52 13.587 -4.497 -16.896 1.00 0.00 C ATOM 803 CG TYR A 52 13.776 -4.820 -15.431 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.970 -4.526 -14.783 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.761 -5.419 -14.695 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.147 -4.821 -13.445 1.00 0.00 C ATOM 807 CE2 TYR A 52 12.929 -5.715 -13.356 1.00 0.00 C ATOM 808 CZ TYR A 52 14.124 -5.415 -12.736 1.00 0.00 C ATOM 809 OH TYR A 52 14.296 -5.708 -11.402 1.00 0.00 O ATOM 0 H TYR A 52 11.562 -2.486 -16.942 1.00 0.00 H new ATOM 0 HA TYR A 52 14.510 -2.558 -16.835 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.647 -4.932 -17.237 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.384 -4.970 -17.470 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.773 -4.059 -15.335 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.825 -5.657 -15.178 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.082 -4.588 -12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.129 -6.179 -12.798 1.00 0.00 H new ATOM 0 HH TYR A 52 13.481 -6.122 -11.050 1.00 0.00 H new ATOM 819 N LEU A 53 14.533 -3.173 -19.418 1.00 0.00 N ATOM 820 CA LEU A 53 14.573 -3.014 -20.868 1.00 0.00 C ATOM 821 C LEU A 53 13.834 -4.155 -21.561 1.00 0.00 C ATOM 822 O LEU A 53 14.159 -5.326 -21.367 1.00 0.00 O ATOM 823 CB LEU A 53 16.022 -2.960 -21.355 1.00 0.00 C ATOM 824 CG LEU A 53 16.455 -1.658 -22.030 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.692 -1.452 -23.330 1.00 0.00 C ATOM 826 CD2 LEU A 53 16.246 -0.477 -21.094 1.00 0.00 C ATOM 0 H LEU A 53 15.363 -3.612 -19.019 1.00 0.00 H new ATOM 0 HA LEU A 53 14.076 -2.077 -21.120 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.678 -3.140 -20.503 1.00 0.00 H new ATOM 0 HB3 LEU A 53 16.179 -3.779 -22.056 1.00 0.00 H new ATOM 0 HG LEU A 53 17.518 -1.727 -22.263 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.013 -0.521 -23.797 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.892 -2.284 -24.005 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.623 -1.404 -23.121 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.560 0.441 -21.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.191 -0.404 -20.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.838 -0.620 -20.190 1.00 0.00 H new ATOM 838 N ARG A 54 12.841 -3.803 -22.372 1.00 0.00 N ATOM 839 CA ARG A 54 12.057 -4.797 -23.095 1.00 0.00 C ATOM 840 C ARG A 54 12.966 -5.750 -23.867 1.00 0.00 C ATOM 841 O ARG A 54 12.737 -6.959 -23.891 1.00 0.00 O ATOM 842 CB ARG A 54 11.085 -4.111 -24.056 1.00 0.00 C ATOM 843 CG ARG A 54 9.740 -4.810 -24.165 1.00 0.00 C ATOM 844 CD ARG A 54 9.738 -5.842 -25.281 1.00 0.00 C ATOM 845 NE ARG A 54 9.069 -5.349 -26.482 1.00 0.00 N ATOM 846 CZ ARG A 54 7.753 -5.202 -26.583 1.00 0.00 C ATOM 847 NH1 ARG A 54 6.968 -5.509 -25.560 1.00 0.00 N ATOM 848 NH2 ARG A 54 7.219 -4.747 -27.709 1.00 0.00 N ATOM 0 H ARG A 54 12.561 -2.838 -22.545 1.00 0.00 H new ATOM 0 HA ARG A 54 11.489 -5.375 -22.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.926 -3.084 -23.726 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.540 -4.061 -25.045 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.503 -5.296 -23.218 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.959 -4.072 -24.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.765 -6.115 -25.524 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.241 -6.748 -24.935 1.00 0.00 H new ATOM 0 HE ARG A 54 9.644 -5.104 -27.288 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.374 -5.859 -24.692 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.958 -5.395 -25.640 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.819 -4.510 -28.499 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.208 -4.635 -27.785 1.00 0.00 H new ATOM 862 N SER A 55 13.996 -5.195 -24.498 1.00 0.00 N ATOM 863 CA SER A 55 14.936 -5.994 -25.274 1.00 0.00 C ATOM 864 C SER A 55 15.661 -6.999 -24.384 1.00 0.00 C ATOM 865 O SER A 55 15.840 -8.159 -24.756 1.00 0.00 O ATOM 866 CB SER A 55 15.953 -5.089 -25.972 1.00 0.00 C ATOM 867 OG SER A 55 15.399 -3.812 -26.239 1.00 0.00 O ATOM 0 H SER A 55 14.200 -4.196 -24.487 1.00 0.00 H new ATOM 0 HA SER A 55 14.371 -6.543 -26.027 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.839 -4.981 -25.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.276 -5.551 -26.905 1.00 0.00 H new ATOM 0 HG SER A 55 16.069 -3.251 -26.684 1.00 0.00 H new ATOM 873 N ASP A 56 16.075 -6.545 -23.206 1.00 0.00 N ATOM 874 CA ASP A 56 16.779 -7.403 -22.260 1.00 0.00 C ATOM 875 C ASP A 56 15.893 -8.562 -21.814 1.00 0.00 C ATOM 876 O ASP A 56 16.273 -9.728 -21.928 1.00 0.00 O ATOM 877 CB ASP A 56 17.232 -6.594 -21.044 1.00 0.00 C ATOM 878 CG ASP A 56 18.676 -6.145 -21.153 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.966 -5.277 -22.002 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.516 -6.662 -20.387 1.00 0.00 O ATOM 0 H ASP A 56 15.935 -5.588 -22.883 1.00 0.00 H new ATOM 0 HA ASP A 56 17.656 -7.812 -22.762 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.590 -5.720 -20.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.109 -7.196 -20.144 1.00 0.00 H new ATOM 885 N VAL A 57 14.710 -8.234 -21.304 1.00 0.00 N ATOM 886 CA VAL A 57 13.770 -9.247 -20.841 1.00 0.00 C ATOM 887 C VAL A 57 13.507 -10.289 -21.922 1.00 0.00 C ATOM 888 O VAL A 57 13.389 -11.480 -21.635 1.00 0.00 O ATOM 889 CB VAL A 57 12.430 -8.617 -20.415 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.470 -9.687 -19.919 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.656 -7.556 -19.349 1.00 0.00 C ATOM 0 H VAL A 57 14.380 -7.274 -21.201 1.00 0.00 H new ATOM 0 HA VAL A 57 14.227 -9.731 -19.978 1.00 0.00 H new ATOM 0 HB VAL A 57 11.982 -8.136 -21.285 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.529 -9.223 -19.623 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.284 -10.407 -20.716 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.907 -10.199 -19.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.699 -7.121 -19.060 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.127 -8.011 -18.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.304 -6.775 -19.745 1.00 0.00 H new ATOM 901 N GLU A 58 13.418 -9.833 -23.168 1.00 0.00 N ATOM 902 CA GLU A 58 13.170 -10.726 -24.293 1.00 0.00 C ATOM 903 C GLU A 58 14.170 -11.879 -24.303 1.00 0.00 C ATOM 904 O GLU A 58 13.801 -13.033 -24.515 1.00 0.00 O ATOM 905 CB GLU A 58 13.249 -9.956 -25.612 1.00 0.00 C ATOM 906 CG GLU A 58 12.944 -10.807 -26.833 1.00 0.00 C ATOM 907 CD GLU A 58 13.405 -10.161 -28.125 1.00 0.00 C ATOM 908 OE1 GLU A 58 13.804 -8.978 -28.088 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.366 -10.838 -29.174 1.00 0.00 O ATOM 0 H GLU A 58 13.514 -8.850 -23.423 1.00 0.00 H new ATOM 0 HA GLU A 58 12.167 -11.138 -24.182 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.549 -9.121 -25.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.248 -9.531 -25.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.427 -11.778 -26.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.871 -10.989 -26.885 1.00 0.00 H new ATOM 916 N ALA A 59 15.439 -11.556 -24.074 1.00 0.00 N ATOM 917 CA ALA A 59 16.492 -12.563 -24.055 1.00 0.00 C ATOM 918 C ALA A 59 16.481 -13.346 -22.747 1.00 0.00 C ATOM 919 O ALA A 59 16.802 -14.534 -22.719 1.00 0.00 O ATOM 920 CB ALA A 59 17.850 -11.910 -24.270 1.00 0.00 C ATOM 0 H ALA A 59 15.762 -10.604 -23.899 1.00 0.00 H new ATOM 0 HA ALA A 59 16.304 -13.264 -24.868 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.628 -12.674 -24.253 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.861 -11.402 -25.234 1.00 0.00 H new ATOM 0 HB3 ALA A 59 18.035 -11.186 -23.476 1.00 0.00 H new ATOM 926 N LYS A 60 16.109 -12.672 -21.663 1.00 0.00 N ATOM 927 CA LYS A 60 16.055 -13.304 -20.350 1.00 0.00 C ATOM 928 C LYS A 60 15.147 -14.530 -20.374 1.00 0.00 C ATOM 929 O LYS A 60 15.315 -15.453 -19.577 1.00 0.00 O ATOM 930 CB LYS A 60 15.556 -12.307 -19.302 1.00 0.00 C ATOM 931 CG LYS A 60 15.407 -12.907 -17.914 1.00 0.00 C ATOM 932 CD LYS A 60 16.751 -13.310 -17.333 1.00 0.00 C ATOM 933 CE LYS A 60 17.520 -12.103 -16.818 1.00 0.00 C ATOM 934 NZ LYS A 60 18.945 -12.432 -16.536 1.00 0.00 N ATOM 0 H LYS A 60 15.841 -11.688 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 60 17.063 -13.625 -20.086 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.249 -11.467 -19.253 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.593 -11.908 -19.622 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.926 -12.185 -17.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.754 -13.779 -17.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.599 -14.020 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.340 -13.820 -18.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.471 -11.300 -17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.046 -11.731 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.491 -11.553 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.007 -12.981 -15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.334 -12.992 -17.321 1.00 0.00 H new ATOM 948 N SER A 61 14.186 -14.532 -21.292 1.00 0.00 N ATOM 949 CA SER A 61 13.251 -15.643 -21.418 1.00 0.00 C ATOM 950 C SER A 61 13.861 -16.778 -22.235 1.00 0.00 C ATOM 951 O SER A 61 13.493 -17.942 -22.075 1.00 0.00 O ATOM 952 CB SER A 61 11.950 -15.172 -22.070 1.00 0.00 C ATOM 953 OG SER A 61 11.887 -15.570 -23.428 1.00 0.00 O ATOM 0 H SER A 61 14.035 -13.776 -21.960 1.00 0.00 H new ATOM 0 HA SER A 61 13.033 -16.016 -20.417 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.098 -15.583 -21.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.878 -14.087 -22.002 1.00 0.00 H new ATOM 0 HG SER A 61 11.045 -15.258 -23.822 1.00 0.00 H new ATOM 959 N LEU A 62 14.796 -16.429 -23.113 1.00 0.00 N ATOM 960 CA LEU A 62 15.459 -17.417 -23.957 1.00 0.00 C ATOM 961 C LEU A 62 16.609 -18.086 -23.212 1.00 0.00 C ATOM 962 O LEU A 62 16.894 -19.264 -23.421 1.00 0.00 O ATOM 963 CB LEU A 62 15.979 -16.757 -25.236 1.00 0.00 C ATOM 964 CG LEU A 62 15.019 -15.790 -25.929 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.613 -15.297 -27.240 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.672 -16.454 -26.169 1.00 0.00 C ATOM 0 H LEU A 62 15.112 -15.470 -23.259 1.00 0.00 H new ATOM 0 HA LEU A 62 14.729 -18.182 -24.221 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.896 -16.218 -24.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.246 -17.542 -25.944 1.00 0.00 H new ATOM 0 HG LEU A 62 14.866 -14.931 -25.276 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.916 -14.610 -27.720 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.553 -14.782 -27.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.796 -16.146 -27.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.002 -15.750 -26.663 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.806 -17.332 -26.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.240 -16.757 -25.215 1.00 0.00 H new ATOM 978 N GLU A 63 17.265 -17.325 -22.341 1.00 0.00 N ATOM 979 CA GLU A 63 18.384 -17.846 -21.564 1.00 0.00 C ATOM 980 C GLU A 63 17.892 -18.776 -20.458 1.00 0.00 C ATOM 981 O GLU A 63 18.624 -19.654 -20.000 1.00 0.00 O ATOM 982 CB GLU A 63 19.191 -16.696 -20.957 1.00 0.00 C ATOM 983 CG GLU A 63 18.502 -16.022 -19.783 1.00 0.00 C ATOM 984 CD GLU A 63 19.074 -16.452 -18.446 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.136 -17.673 -18.192 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.459 -15.567 -17.654 1.00 0.00 O ATOM 0 H GLU A 63 17.041 -16.347 -22.156 1.00 0.00 H new ATOM 0 HA GLU A 63 19.026 -18.416 -22.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.159 -17.076 -20.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.385 -15.952 -21.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.596 -14.941 -19.883 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.437 -16.253 -19.810 1.00 0.00 H new ATOM 993 N VAL A 64 16.649 -18.576 -20.035 1.00 0.00 N ATOM 994 CA VAL A 64 16.058 -19.396 -18.983 1.00 0.00 C ATOM 995 C VAL A 64 15.330 -20.600 -19.570 1.00 0.00 C ATOM 996 O VAL A 64 15.805 -21.732 -19.473 1.00 0.00 O ATOM 997 CB VAL A 64 15.072 -18.582 -18.124 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.426 -19.468 -17.070 1.00 0.00 C ATOM 999 CG2 VAL A 64 15.779 -17.400 -17.479 1.00 0.00 C ATOM 0 H VAL A 64 16.031 -17.853 -20.404 1.00 0.00 H new ATOM 0 HA VAL A 64 16.877 -19.742 -18.352 1.00 0.00 H new ATOM 0 HB VAL A 64 14.285 -18.196 -18.771 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.733 -18.876 -16.473 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.884 -20.278 -17.558 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.198 -19.885 -16.423 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.068 -16.836 -16.876 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.587 -17.762 -16.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.189 -16.754 -18.255 1.00 0.00 H new ATOM 1009 N TRP A 65 14.177 -20.349 -20.177 1.00 0.00 N ATOM 1010 CA TRP A 65 13.383 -21.414 -20.780 1.00 0.00 C ATOM 1011 C TRP A 65 14.169 -22.125 -21.876 1.00 0.00 C ATOM 1012 O TRP A 65 13.916 -23.291 -22.177 1.00 0.00 O ATOM 1013 CB TRP A 65 12.083 -20.846 -21.354 1.00 0.00 C ATOM 1014 CG TRP A 65 11.013 -20.651 -20.323 1.00 0.00 C ATOM 1015 CD1 TRP A 65 10.710 -19.493 -19.666 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.108 -21.644 -19.830 1.00 0.00 C ATOM 1017 NE1 TRP A 65 9.670 -19.707 -18.793 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.282 -21.018 -18.876 1.00 0.00 C ATOM 1019 CE3 TRP A 65 9.912 -23.001 -20.102 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.279 -21.703 -18.195 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 8.917 -23.680 -19.425 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.110 -23.031 -18.481 1.00 0.00 C ATOM 0 H TRP A 65 13.770 -19.418 -20.265 1.00 0.00 H new ATOM 0 HA TRP A 65 13.143 -22.139 -20.003 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.293 -19.890 -21.834 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.713 -21.517 -22.129 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.213 -18.548 -19.811 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.255 -19.004 -18.182 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.528 -23.510 -20.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.656 -21.204 -17.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.759 -24.729 -19.627 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.340 -23.589 -17.969 1.00 0.00 H new ATOM 1033 N GLY A 66 15.125 -21.416 -22.469 1.00 0.00 N ATOM 1034 CA GLY A 66 15.933 -21.997 -23.525 1.00 0.00 C ATOM 1035 C GLY A 66 15.587 -21.442 -24.892 1.00 0.00 C ATOM 1036 O GLY A 66 16.473 -21.179 -25.705 1.00 0.00 O ATOM 0 H GLY A 66 15.354 -20.450 -22.237 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.986 -21.810 -23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.796 -23.078 -23.530 1.00 0.00 H new ATOM 1040 N SER A 67 14.294 -21.265 -25.147 1.00 0.00 N ATOM 1041 CA SER A 67 13.833 -20.743 -26.428 1.00 0.00 C ATOM 1042 C SER A 67 12.506 -20.008 -26.269 1.00 0.00 C ATOM 1043 O SER A 67 11.779 -20.191 -25.292 1.00 0.00 O ATOM 1044 CB SER A 67 13.680 -21.880 -27.441 1.00 0.00 C ATOM 1045 OG SER A 67 13.619 -23.138 -26.791 1.00 0.00 O ATOM 0 H SER A 67 13.548 -21.475 -24.484 1.00 0.00 H new ATOM 0 HA SER A 67 14.579 -20.037 -26.794 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.776 -21.727 -28.030 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.519 -21.867 -28.137 1.00 0.00 H new ATOM 0 HG SER A 67 13.520 -23.847 -27.460 1.00 0.00 H new ATOM 1051 N PRO A 68 12.181 -19.155 -27.252 1.00 0.00 N ATOM 1052 CA PRO A 68 10.941 -18.374 -27.245 1.00 0.00 C ATOM 1053 C PRO A 68 9.707 -19.244 -27.460 1.00 0.00 C ATOM 1054 O PRO A 68 8.590 -18.844 -27.134 1.00 0.00 O ATOM 1055 CB PRO A 68 11.123 -17.407 -28.417 1.00 0.00 C ATOM 1056 CG PRO A 68 12.078 -18.096 -29.331 1.00 0.00 C ATOM 1057 CD PRO A 68 13.000 -18.887 -28.446 1.00 0.00 C ATOM 0 HA PRO A 68 10.777 -17.879 -26.288 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.175 -17.205 -28.915 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.518 -16.448 -28.082 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.550 -18.748 -30.027 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.635 -17.375 -29.929 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.324 -19.810 -28.926 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.900 -18.324 -28.198 1.00 0.00 H new ATOM 1065 N GLU A 69 9.917 -20.437 -28.009 1.00 0.00 N ATOM 1066 CA GLU A 69 8.821 -21.362 -28.266 1.00 0.00 C ATOM 1067 C GLU A 69 8.325 -21.993 -26.968 1.00 0.00 C ATOM 1068 O GLU A 69 7.162 -22.380 -26.859 1.00 0.00 O ATOM 1069 CB GLU A 69 9.265 -22.456 -29.240 1.00 0.00 C ATOM 1070 CG GLU A 69 9.503 -21.952 -30.654 1.00 0.00 C ATOM 1071 CD GLU A 69 10.811 -22.451 -31.238 1.00 0.00 C ATOM 1072 OE1 GLU A 69 10.976 -23.683 -31.358 1.00 0.00 O ATOM 1073 OE2 GLU A 69 11.668 -21.608 -31.577 1.00 0.00 O ATOM 0 H GLU A 69 10.836 -20.784 -28.284 1.00 0.00 H new ATOM 0 HA GLU A 69 8.002 -20.798 -28.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.182 -22.913 -28.867 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.506 -23.238 -29.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.679 -22.270 -31.293 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.502 -20.862 -30.652 1.00 0.00 H new ATOM 1080 N ALA A 70 9.216 -22.093 -25.988 1.00 0.00 N ATOM 1081 CA ALA A 70 8.869 -22.675 -24.697 1.00 0.00 C ATOM 1082 C ALA A 70 7.925 -21.764 -23.920 1.00 0.00 C ATOM 1083 O ALA A 70 6.921 -22.218 -23.370 1.00 0.00 O ATOM 1084 CB ALA A 70 10.128 -22.948 -23.886 1.00 0.00 C ATOM 0 H ALA A 70 10.183 -21.779 -26.063 1.00 0.00 H new ATOM 0 HA ALA A 70 8.354 -23.619 -24.878 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.854 -23.382 -22.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.767 -23.644 -24.430 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.665 -22.014 -23.722 1.00 0.00 H new ATOM 1090 N LEU A 71 8.252 -20.478 -23.878 1.00 0.00 N ATOM 1091 CA LEU A 71 7.433 -19.502 -23.168 1.00 0.00 C ATOM 1092 C LEU A 71 6.096 -19.298 -23.872 1.00 0.00 C ATOM 1093 O LEU A 71 5.054 -19.186 -23.227 1.00 0.00 O ATOM 1094 CB LEU A 71 8.173 -18.168 -23.057 1.00 0.00 C ATOM 1095 CG LEU A 71 7.338 -16.972 -22.600 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.802 -17.202 -21.195 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.161 -15.694 -22.656 1.00 0.00 C ATOM 0 H LEU A 71 9.079 -20.086 -24.328 1.00 0.00 H new ATOM 0 HA LEU A 71 7.240 -19.887 -22.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.003 -18.293 -22.361 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.605 -17.933 -24.030 1.00 0.00 H new ATOM 0 HG LEU A 71 6.491 -16.864 -23.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.210 -16.341 -20.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.176 -18.094 -21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.635 -17.336 -20.505 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.550 -14.853 -22.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.028 -15.790 -22.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.496 -15.521 -23.679 1.00 0.00 H new ATOM 1109 N ALA A 72 6.133 -19.251 -25.200 1.00 0.00 N ATOM 1110 CA ALA A 72 4.924 -19.065 -25.993 1.00 0.00 C ATOM 1111 C ALA A 72 3.860 -20.092 -25.621 1.00 0.00 C ATOM 1112 O ALA A 72 2.663 -19.831 -25.742 1.00 0.00 O ATOM 1113 CB ALA A 72 5.248 -19.151 -27.477 1.00 0.00 C ATOM 0 H ALA A 72 6.988 -19.339 -25.749 1.00 0.00 H new ATOM 0 HA ALA A 72 4.526 -18.074 -25.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.336 -19.010 -28.057 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.967 -18.375 -27.738 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.673 -20.130 -27.701 1.00 0.00 H new ATOM 1119 N ARG A 73 4.304 -21.260 -25.168 1.00 0.00 N ATOM 1120 CA ARG A 73 3.389 -22.327 -24.780 1.00 0.00 C ATOM 1121 C ARG A 73 2.519 -21.895 -23.604 1.00 0.00 C ATOM 1122 O ARG A 73 1.355 -22.284 -23.505 1.00 0.00 O ATOM 1123 CB ARG A 73 4.171 -23.590 -24.414 1.00 0.00 C ATOM 1124 CG ARG A 73 5.103 -24.070 -25.515 1.00 0.00 C ATOM 1125 CD ARG A 73 4.649 -25.404 -26.086 1.00 0.00 C ATOM 1126 NE ARG A 73 5.101 -26.530 -25.271 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.987 -27.799 -25.645 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.440 -28.104 -26.814 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.422 -28.768 -24.849 1.00 0.00 N ATOM 0 H ARG A 73 5.292 -21.491 -25.061 1.00 0.00 H new ATOM 0 HA ARG A 73 2.741 -22.543 -25.629 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.755 -23.398 -23.514 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.467 -24.386 -24.173 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.141 -23.326 -26.311 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.114 -24.167 -25.121 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.561 -25.418 -26.153 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.032 -25.514 -27.100 1.00 0.00 H new ATOM 0 HE ARG A 73 5.527 -26.330 -24.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.105 -27.363 -27.429 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.354 -29.080 -27.098 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.844 -28.538 -23.949 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.334 -29.743 -25.137 1.00 0.00 H new ATOM 1143 N GLU A 74 3.092 -21.091 -22.714 1.00 0.00 N ATOM 1144 CA GLU A 74 2.368 -20.608 -21.544 1.00 0.00 C ATOM 1145 C GLU A 74 1.645 -19.300 -21.852 1.00 0.00 C ATOM 1146 O GLU A 74 0.553 -19.045 -21.342 1.00 0.00 O ATOM 1147 CB GLU A 74 3.328 -20.408 -20.369 1.00 0.00 C ATOM 1148 CG GLU A 74 3.859 -21.708 -19.789 1.00 0.00 C ATOM 1149 CD GLU A 74 3.111 -22.141 -18.543 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.957 -22.600 -18.673 1.00 0.00 O ATOM 1151 OE2 GLU A 74 3.680 -22.020 -17.438 1.00 0.00 O ATOM 0 H GLU A 74 4.055 -20.761 -22.781 1.00 0.00 H new ATOM 0 HA GLU A 74 1.625 -21.358 -21.274 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.168 -19.796 -20.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.817 -19.852 -19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.788 -22.493 -20.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.916 -21.590 -19.551 1.00 0.00 H new ATOM 1158 N LYS A 75 2.261 -18.474 -22.690 1.00 0.00 N ATOM 1159 CA LYS A 75 1.678 -17.192 -23.068 1.00 0.00 C ATOM 1160 C LYS A 75 0.258 -17.374 -23.593 1.00 0.00 C ATOM 1161 O LYS A 75 -0.618 -16.545 -23.346 1.00 0.00 O ATOM 1162 CB LYS A 75 2.543 -16.509 -24.131 1.00 0.00 C ATOM 1163 CG LYS A 75 3.945 -16.177 -23.652 1.00 0.00 C ATOM 1164 CD LYS A 75 4.427 -14.850 -24.215 1.00 0.00 C ATOM 1165 CE LYS A 75 4.246 -13.721 -23.213 1.00 0.00 C ATOM 1166 NZ LYS A 75 4.088 -12.401 -23.886 1.00 0.00 N ATOM 0 H LYS A 75 3.165 -18.669 -23.121 1.00 0.00 H new ATOM 0 HA LYS A 75 1.640 -16.562 -22.179 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.610 -17.158 -25.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.051 -15.591 -24.453 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.959 -16.138 -22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.630 -16.970 -23.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.479 -14.930 -24.488 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.877 -14.620 -25.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.370 -13.921 -22.595 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.106 -13.687 -22.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.967 -11.658 -23.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.934 -12.198 -24.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.252 -12.424 -24.504 1.00 0.00 H new ATOM 1180 N LYS A 76 0.035 -18.465 -24.318 1.00 0.00 N ATOM 1181 CA LYS A 76 -1.280 -18.758 -24.876 1.00 0.00 C ATOM 1182 C LYS A 76 -2.282 -19.074 -23.771 1.00 0.00 C ATOM 1183 O LYS A 76 -3.367 -18.493 -23.718 1.00 0.00 O ATOM 1184 CB LYS A 76 -1.192 -19.935 -25.851 1.00 0.00 C ATOM 1185 CG LYS A 76 -2.530 -20.328 -26.452 1.00 0.00 C ATOM 1186 CD LYS A 76 -2.444 -20.462 -27.964 1.00 0.00 C ATOM 1187 CE LYS A 76 -1.844 -21.798 -28.372 1.00 0.00 C ATOM 1188 NZ LYS A 76 -2.653 -22.471 -29.426 1.00 0.00 N ATOM 0 H LYS A 76 0.749 -19.161 -24.533 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.625 -17.874 -25.413 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.503 -19.679 -26.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.770 -20.795 -25.332 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.861 -21.273 -26.020 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.280 -19.580 -26.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.440 -20.362 -28.396 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.838 -19.651 -28.368 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.829 -21.644 -28.737 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.774 -22.446 -27.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.211 -23.378 -29.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.615 -22.641 -29.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.699 -21.864 -30.269 1.00 0.00 H new ATOM 1202 N LEU A 77 -1.912 -19.996 -22.889 1.00 0.00 N ATOM 1203 CA LEU A 77 -2.778 -20.387 -21.782 1.00 0.00 C ATOM 1204 C LEU A 77 -3.198 -19.172 -20.963 1.00 0.00 C ATOM 1205 O LEU A 77 -4.388 -18.885 -20.824 1.00 0.00 O ATOM 1206 CB LEU A 77 -2.066 -21.400 -20.885 1.00 0.00 C ATOM 1207 CG LEU A 77 -2.282 -22.874 -21.232 1.00 0.00 C ATOM 1208 CD1 LEU A 77 -1.899 -23.142 -22.679 1.00 0.00 C ATOM 1209 CD2 LEU A 77 -1.482 -23.766 -20.293 1.00 0.00 C ATOM 0 H LEU A 77 -1.018 -20.487 -22.919 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.674 -20.847 -22.199 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.996 -21.193 -20.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.392 -21.238 -19.858 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.340 -23.106 -21.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.059 -24.195 -22.909 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.515 -22.529 -23.338 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.848 -22.893 -22.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.648 -24.811 -20.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.421 -23.533 -20.385 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.803 -23.594 -19.266 1.00 0.00 H new ATOM 1221 N ARG A 78 -2.214 -18.459 -20.424 1.00 0.00 N ATOM 1222 CA ARG A 78 -2.482 -17.273 -19.620 1.00 0.00 C ATOM 1223 C ARG A 78 -3.375 -16.293 -20.375 1.00 0.00 C ATOM 1224 O ARG A 78 -4.147 -15.547 -19.772 1.00 0.00 O ATOM 1225 CB ARG A 78 -1.171 -16.588 -19.230 1.00 0.00 C ATOM 1226 CG ARG A 78 -0.415 -16.002 -20.412 1.00 0.00 C ATOM 1227 CD ARG A 78 0.862 -15.308 -19.967 1.00 0.00 C ATOM 1228 NE ARG A 78 1.054 -14.028 -20.644 1.00 0.00 N ATOM 1229 CZ ARG A 78 0.289 -12.963 -20.434 1.00 0.00 C ATOM 1230 NH1 ARG A 78 -0.714 -13.024 -19.569 1.00 0.00 N ATOM 1231 NH2 ARG A 78 0.526 -11.834 -21.089 1.00 0.00 N ATOM 0 H ARG A 78 -1.224 -18.682 -20.530 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.002 -17.589 -18.716 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.385 -15.793 -18.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.531 -17.309 -18.722 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.172 -16.795 -21.119 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.053 -15.291 -20.937 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.830 -15.147 -18.889 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.715 -15.956 -20.168 1.00 0.00 H new ATOM 0 HE ARG A 78 1.818 -13.948 -21.315 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.899 -13.890 -19.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.300 -12.205 -19.409 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.297 -11.783 -21.755 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.063 -11.017 -20.927 1.00 0.00 H new ATOM 1245 N LYS A 79 -3.264 -16.300 -21.699 1.00 0.00 N ATOM 1246 CA LYS A 79 -4.061 -15.413 -22.539 1.00 0.00 C ATOM 1247 C LYS A 79 -5.506 -15.894 -22.619 1.00 0.00 C ATOM 1248 O LYS A 79 -6.425 -15.199 -22.186 1.00 0.00 O ATOM 1249 CB LYS A 79 -3.460 -15.332 -23.944 1.00 0.00 C ATOM 1250 CG LYS A 79 -4.109 -14.277 -24.823 1.00 0.00 C ATOM 1251 CD LYS A 79 -4.396 -14.811 -26.216 1.00 0.00 C ATOM 1252 CE LYS A 79 -4.919 -13.717 -27.135 1.00 0.00 C ATOM 1253 NZ LYS A 79 -3.925 -13.347 -28.180 1.00 0.00 N ATOM 0 H LYS A 79 -2.630 -16.910 -22.214 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.051 -14.420 -22.089 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.394 -15.119 -23.862 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.555 -16.304 -24.427 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.038 -13.940 -24.363 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.455 -13.408 -24.893 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.486 -15.238 -26.638 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.128 -15.617 -26.155 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.839 -14.053 -27.612 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.170 -12.836 -26.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.320 -12.599 -28.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.056 -13.002 -27.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.705 -14.181 -28.760 1.00 0.00 H new ATOM 1267 N GLU A 80 -5.699 -17.086 -23.175 1.00 0.00 N ATOM 1268 CA GLU A 80 -7.033 -17.658 -23.311 1.00 0.00 C ATOM 1269 C GLU A 80 -7.738 -17.721 -21.959 1.00 0.00 C ATOM 1270 O GLU A 80 -8.963 -17.633 -21.881 1.00 0.00 O ATOM 1271 CB GLU A 80 -6.952 -19.059 -23.922 1.00 0.00 C ATOM 1272 CG GLU A 80 -6.308 -19.086 -25.297 1.00 0.00 C ATOM 1273 CD GLU A 80 -7.316 -19.295 -26.410 1.00 0.00 C ATOM 1274 OE1 GLU A 80 -8.122 -20.244 -26.311 1.00 0.00 O ATOM 1275 OE2 GLU A 80 -7.299 -18.509 -27.380 1.00 0.00 O ATOM 0 H GLU A 80 -4.949 -17.674 -23.538 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.611 -17.014 -23.973 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.386 -19.706 -23.252 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.957 -19.474 -23.993 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.777 -18.149 -25.464 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.565 -19.883 -25.330 1.00 0.00 H new ATOM 1282 N ALA A 81 -6.955 -17.875 -20.896 1.00 0.00 N ATOM 1283 CA ALA A 81 -7.503 -17.949 -19.547 1.00 0.00 C ATOM 1284 C ALA A 81 -8.178 -16.639 -19.157 1.00 0.00 C ATOM 1285 O ALA A 81 -9.332 -16.628 -18.731 1.00 0.00 O ATOM 1286 CB ALA A 81 -6.407 -18.297 -18.551 1.00 0.00 C ATOM 0 H ALA A 81 -5.939 -17.951 -20.943 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.257 -18.736 -19.530 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.830 -18.349 -17.548 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.971 -19.262 -18.812 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.633 -17.530 -18.579 1.00 0.00 H new ATOM 1292 N GLU A 82 -7.450 -15.536 -19.305 1.00 0.00 N ATOM 1293 CA GLU A 82 -7.980 -14.221 -18.965 1.00 0.00 C ATOM 1294 C GLU A 82 -9.226 -13.907 -19.789 1.00 0.00 C ATOM 1295 O GLU A 82 -10.226 -13.421 -19.261 1.00 0.00 O ATOM 1296 CB GLU A 82 -6.918 -13.143 -19.195 1.00 0.00 C ATOM 1297 CG GLU A 82 -6.260 -12.655 -17.916 1.00 0.00 C ATOM 1298 CD GLU A 82 -6.497 -11.179 -17.664 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -6.483 -10.401 -18.641 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -6.697 -10.801 -16.491 1.00 0.00 O ATOM 0 H GLU A 82 -6.493 -15.527 -19.658 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.255 -14.230 -17.910 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.150 -13.537 -19.861 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.377 -12.295 -19.704 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.643 -13.230 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.188 -12.843 -17.969 1.00 0.00 H new ATOM 1307 N ILE A 83 -9.156 -14.187 -21.086 1.00 0.00 N ATOM 1308 CA ILE A 83 -10.277 -13.935 -21.983 1.00 0.00 C ATOM 1309 C ILE A 83 -11.538 -14.641 -21.498 1.00 0.00 C ATOM 1310 O ILE A 83 -12.617 -14.051 -21.466 1.00 0.00 O ATOM 1311 CB ILE A 83 -9.964 -14.397 -23.419 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -8.708 -13.696 -23.941 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.148 -14.124 -24.333 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -8.123 -14.344 -25.176 1.00 0.00 C ATOM 0 H ILE A 83 -8.335 -14.588 -21.539 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.444 -12.858 -21.985 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.779 -15.471 -23.407 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.949 -12.657 -24.165 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.954 -13.686 -23.154 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -10.911 -14.456 -25.344 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.021 -14.665 -23.969 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.361 -13.055 -24.343 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.236 -13.794 -25.490 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.851 -15.375 -24.951 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.861 -14.330 -25.978 1.00 0.00 H new ATOM 1326 N GLU A 84 -11.393 -15.908 -21.120 1.00 0.00 N ATOM 1327 CA GLU A 84 -12.522 -16.694 -20.636 1.00 0.00 C ATOM 1328 C GLU A 84 -13.096 -16.090 -19.357 1.00 0.00 C ATOM 1329 O GLU A 84 -14.282 -16.244 -19.063 1.00 0.00 O ATOM 1330 CB GLU A 84 -12.093 -18.140 -20.381 1.00 0.00 C ATOM 1331 CG GLU A 84 -11.777 -18.914 -21.650 1.00 0.00 C ATOM 1332 CD GLU A 84 -13.015 -19.508 -22.294 1.00 0.00 C ATOM 1333 OE1 GLU A 84 -13.590 -20.453 -21.715 1.00 0.00 O ATOM 1334 OE2 GLU A 84 -13.407 -19.028 -23.378 1.00 0.00 O ATOM 0 H GLU A 84 -10.506 -16.411 -21.140 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.296 -16.682 -21.403 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.214 -18.141 -19.736 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.886 -18.655 -19.839 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.284 -18.252 -22.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.073 -19.714 -21.418 1.00 0.00 H new ATOM 1341 N TYR A 85 -12.247 -15.402 -18.602 1.00 0.00 N ATOM 1342 CA TYR A 85 -12.668 -14.777 -17.354 1.00 0.00 C ATOM 1343 C TYR A 85 -13.413 -13.472 -17.621 1.00 0.00 C ATOM 1344 O TYR A 85 -14.583 -13.329 -17.268 1.00 0.00 O ATOM 1345 CB TYR A 85 -11.457 -14.512 -16.457 1.00 0.00 C ATOM 1346 CG TYR A 85 -11.790 -13.730 -15.206 1.00 0.00 C ATOM 1347 CD1 TYR A 85 -12.609 -14.270 -14.223 1.00 0.00 C ATOM 1348 CD2 TYR A 85 -11.282 -12.452 -15.007 1.00 0.00 C ATOM 1349 CE1 TYR A 85 -12.916 -13.560 -13.079 1.00 0.00 C ATOM 1350 CE2 TYR A 85 -11.582 -11.735 -13.865 1.00 0.00 C ATOM 1351 CZ TYR A 85 -12.400 -12.292 -12.905 1.00 0.00 C ATOM 1352 OH TYR A 85 -12.702 -11.582 -11.765 1.00 0.00 O ATOM 0 H TYR A 85 -11.263 -15.263 -18.832 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.345 -15.463 -16.845 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -11.011 -15.465 -16.172 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.705 -13.966 -17.027 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.013 -15.263 -14.356 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.642 -12.012 -15.758 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.556 -13.994 -12.325 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.178 -10.743 -13.725 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.259 -10.708 -11.797 1.00 0.00 H new ATOM 1362 N ARG A 86 -12.724 -12.525 -18.249 1.00 0.00 N ATOM 1363 CA ARG A 86 -13.318 -11.231 -18.565 1.00 0.00 C ATOM 1364 C ARG A 86 -14.556 -11.401 -19.441 1.00 0.00 C ATOM 1365 O ARG A 86 -15.458 -10.564 -19.425 1.00 0.00 O ATOM 1366 CB ARG A 86 -12.298 -10.337 -19.272 1.00 0.00 C ATOM 1367 CG ARG A 86 -11.803 -10.904 -20.592 1.00 0.00 C ATOM 1368 CD ARG A 86 -12.136 -9.981 -21.755 1.00 0.00 C ATOM 1369 NE ARG A 86 -11.101 -8.973 -21.968 1.00 0.00 N ATOM 1370 CZ ARG A 86 -11.098 -8.129 -22.993 1.00 0.00 C ATOM 1371 NH1 ARG A 86 -12.070 -8.170 -23.893 1.00 0.00 N ATOM 1372 NH2 ARG A 86 -10.121 -7.239 -23.118 1.00 0.00 N ATOM 0 H ARG A 86 -11.755 -12.629 -18.549 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.618 -10.758 -17.630 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.747 -9.360 -19.451 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.445 -10.180 -18.611 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.725 -11.055 -20.543 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.254 -11.882 -20.761 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.259 -10.572 -22.663 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.089 -9.487 -21.565 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.339 -8.914 -21.293 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.823 -8.851 -23.799 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.065 -7.520 -24.679 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.372 -7.203 -22.426 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.119 -6.591 -23.906 1.00 0.00 H new ATOM 1386 N GLU A 87 -14.591 -12.489 -20.204 1.00 0.00 N ATOM 1387 CA GLU A 87 -15.717 -12.766 -21.087 1.00 0.00 C ATOM 1388 C GLU A 87 -17.028 -12.786 -20.307 1.00 0.00 C ATOM 1389 O GLU A 87 -17.900 -11.942 -20.516 1.00 0.00 O ATOM 1390 CB GLU A 87 -15.516 -14.104 -21.801 1.00 0.00 C ATOM 1391 CG GLU A 87 -14.976 -13.965 -23.215 1.00 0.00 C ATOM 1392 CD GLU A 87 -15.981 -14.389 -24.268 1.00 0.00 C ATOM 1393 OE1 GLU A 87 -17.169 -14.031 -24.133 1.00 0.00 O ATOM 1394 OE2 GLU A 87 -15.577 -15.079 -25.228 1.00 0.00 O ATOM 0 H GLU A 87 -13.853 -13.192 -20.228 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.768 -11.970 -21.829 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.830 -14.718 -21.218 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.468 -14.634 -21.835 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.688 -12.928 -23.390 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.073 -14.568 -23.316 1.00 0.00 H new ATOM 1401 N ARG A 88 -17.160 -13.755 -19.407 1.00 0.00 N ATOM 1402 CA ARG A 88 -18.365 -13.886 -18.597 1.00 0.00 C ATOM 1403 C ARG A 88 -18.650 -12.595 -17.834 1.00 0.00 C ATOM 1404 O ARG A 88 -19.801 -12.289 -17.520 1.00 0.00 O ATOM 1405 CB ARG A 88 -18.220 -15.050 -17.614 1.00 0.00 C ATOM 1406 CG ARG A 88 -16.950 -14.990 -16.782 1.00 0.00 C ATOM 1407 CD ARG A 88 -16.932 -16.073 -15.714 1.00 0.00 C ATOM 1408 NE ARG A 88 -15.695 -16.848 -15.742 1.00 0.00 N ATOM 1409 CZ ARG A 88 -15.503 -17.951 -15.027 1.00 0.00 C ATOM 1410 NH1 ARG A 88 -16.463 -18.407 -14.234 1.00 0.00 N ATOM 1411 NH2 ARG A 88 -14.349 -18.602 -15.106 1.00 0.00 N ATOM 0 H ARG A 88 -16.447 -14.461 -19.220 1.00 0.00 H new ATOM 0 HA ARG A 88 -19.202 -14.086 -19.266 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.081 -15.060 -16.946 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.236 -15.988 -18.169 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.082 -15.104 -17.432 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.869 -14.011 -16.310 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.051 -15.616 -14.732 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.781 -16.740 -15.860 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.937 -16.525 -16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.352 -17.911 -14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.313 -19.254 -13.686 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.609 -18.255 -15.716 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.203 -19.449 -14.557 1.00 0.00 H new ATOM 1425 N LEU A 89 -17.596 -11.843 -17.539 1.00 0.00 N ATOM 1426 CA LEU A 89 -17.733 -10.585 -16.813 1.00 0.00 C ATOM 1427 C LEU A 89 -18.370 -9.515 -17.693 1.00 0.00 C ATOM 1428 O LEU A 89 -19.250 -8.776 -17.251 1.00 0.00 O ATOM 1429 CB LEU A 89 -16.366 -10.108 -16.319 1.00 0.00 C ATOM 1430 CG LEU A 89 -15.782 -10.863 -15.125 1.00 0.00 C ATOM 1431 CD1 LEU A 89 -14.370 -10.383 -14.828 1.00 0.00 C ATOM 1432 CD2 LEU A 89 -16.672 -10.697 -13.902 1.00 0.00 C ATOM 0 H LEU A 89 -16.637 -12.082 -17.791 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.383 -10.758 -15.955 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -15.660 -10.175 -17.146 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -16.446 -9.054 -16.053 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.738 -11.923 -15.376 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.971 -10.932 -13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.737 -10.555 -15.698 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.389 -9.318 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.241 -11.241 -13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.749 -9.640 -13.649 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.665 -11.091 -14.118 1.00 0.00 H new ATOM 1444 N PHE A 90 -17.922 -9.438 -18.942 1.00 0.00 N ATOM 1445 CA PHE A 90 -18.450 -8.459 -19.885 1.00 0.00 C ATOM 1446 C PHE A 90 -19.954 -8.639 -20.071 1.00 0.00 C ATOM 1447 O PHE A 90 -20.697 -7.664 -20.185 1.00 0.00 O ATOM 1448 CB PHE A 90 -17.740 -8.585 -21.234 1.00 0.00 C ATOM 1449 CG PHE A 90 -16.923 -7.377 -21.596 1.00 0.00 C ATOM 1450 CD1 PHE A 90 -15.755 -7.084 -20.910 1.00 0.00 C ATOM 1451 CD2 PHE A 90 -17.322 -6.537 -22.622 1.00 0.00 C ATOM 1452 CE1 PHE A 90 -15.002 -5.973 -21.240 1.00 0.00 C ATOM 1453 CE2 PHE A 90 -16.572 -5.425 -22.957 1.00 0.00 C ATOM 1454 CZ PHE A 90 -15.410 -5.143 -22.266 1.00 0.00 C ATOM 0 H PHE A 90 -17.194 -10.042 -19.324 1.00 0.00 H new ATOM 0 HA PHE A 90 -18.268 -7.464 -19.478 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -17.091 -9.460 -21.214 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -18.483 -8.758 -22.012 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -15.430 -7.731 -20.109 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -18.229 -6.753 -23.167 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -14.095 -5.754 -20.696 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -16.895 -4.777 -23.759 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.822 -4.276 -22.527 1.00 0.00 H new ATOM 1464 N ARG A 91 -20.395 -9.892 -20.101 1.00 0.00 N ATOM 1465 CA ARG A 91 -21.809 -10.201 -20.275 1.00 0.00 C ATOM 1466 C ARG A 91 -22.622 -9.717 -19.078 1.00 0.00 C ATOM 1467 O ARG A 91 -23.785 -9.339 -19.217 1.00 0.00 O ATOM 1468 CB ARG A 91 -22.005 -11.706 -20.464 1.00 0.00 C ATOM 1469 CG ARG A 91 -22.435 -12.093 -21.869 1.00 0.00 C ATOM 1470 CD ARG A 91 -21.562 -13.204 -22.433 1.00 0.00 C ATOM 1471 NE ARG A 91 -20.270 -12.704 -22.895 1.00 0.00 N ATOM 1472 CZ ARG A 91 -20.111 -11.995 -24.007 1.00 0.00 C ATOM 1473 NH1 ARG A 91 -21.158 -11.704 -24.766 1.00 0.00 N ATOM 1474 NH2 ARG A 91 -18.903 -11.575 -24.360 1.00 0.00 N ATOM 0 H ARG A 91 -19.793 -10.710 -20.007 1.00 0.00 H new ATOM 0 HA ARG A 91 -22.162 -9.682 -21.166 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -21.073 -12.218 -20.225 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -22.754 -12.058 -19.754 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -23.475 -12.418 -21.856 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -22.382 -11.221 -22.520 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -21.404 -13.964 -21.668 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -22.081 -13.688 -23.261 1.00 0.00 H new ATOM 0 HE ARG A 91 -19.444 -12.911 -22.333 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -22.088 -12.025 -24.497 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -21.034 -11.159 -25.619 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -18.096 -11.797 -23.777 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.782 -11.031 -25.214 1.00 0.00 H new ATOM 1488 N ASN A 92 -22.002 -9.734 -17.902 1.00 0.00 N ATOM 1489 CA ASN A 92 -22.669 -9.298 -16.681 1.00 0.00 C ATOM 1490 C ASN A 92 -23.200 -7.875 -16.828 1.00 0.00 C ATOM 1491 O ASN A 92 -24.302 -7.564 -16.378 1.00 0.00 O ATOM 1492 CB ASN A 92 -21.705 -9.374 -15.494 1.00 0.00 C ATOM 1493 CG ASN A 92 -22.274 -10.175 -14.339 1.00 0.00 C ATOM 1494 OD1 ASN A 92 -22.297 -11.405 -14.374 1.00 0.00 O ATOM 1495 ND2 ASN A 92 -22.736 -9.478 -13.307 1.00 0.00 N ATOM 0 H ASN A 92 -21.040 -10.045 -17.769 1.00 0.00 H new ATOM 0 HA ASN A 92 -23.512 -9.964 -16.500 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.768 -9.825 -15.819 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.472 -8.365 -15.153 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -23.130 -9.962 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.697 -8.459 -13.321 1.00 0.00 H new ATOM 1502 N GLN A 93 -22.407 -7.017 -17.462 1.00 0.00 N ATOM 1503 CA GLN A 93 -22.797 -5.627 -17.669 1.00 0.00 C ATOM 1504 C GLN A 93 -23.405 -5.433 -19.054 1.00 0.00 C ATOM 1505 O GLN A 93 -23.550 -6.386 -19.820 1.00 0.00 O ATOM 1506 CB GLN A 93 -21.590 -4.705 -17.494 1.00 0.00 C ATOM 1507 CG GLN A 93 -21.765 -3.676 -16.388 1.00 0.00 C ATOM 1508 CD GLN A 93 -22.179 -2.317 -16.916 1.00 0.00 C ATOM 1509 OE1 GLN A 93 -21.367 -1.583 -17.480 1.00 0.00 O ATOM 1510 NE2 GLN A 93 -23.449 -1.973 -16.735 1.00 0.00 N ATOM 0 H GLN A 93 -21.492 -7.260 -17.841 1.00 0.00 H new ATOM 0 HA GLN A 93 -23.550 -5.372 -16.923 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -20.709 -5.310 -17.280 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -21.400 -4.187 -18.434 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -22.515 -4.031 -15.682 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.830 -3.578 -15.837 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -24.088 -2.612 -16.262 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -23.785 -1.070 -17.069 1.00 0.00 H new ATOM 1519 N LYS A 94 -23.759 -4.192 -19.371 1.00 0.00 N ATOM 1520 CA LYS A 94 -24.350 -3.870 -20.664 1.00 0.00 C ATOM 1521 C LYS A 94 -25.686 -4.584 -20.844 1.00 0.00 C ATOM 1522 O LYS A 94 -26.032 -5.477 -20.070 1.00 0.00 O ATOM 1523 CB LYS A 94 -23.395 -4.260 -21.795 1.00 0.00 C ATOM 1524 CG LYS A 94 -22.736 -3.071 -22.472 1.00 0.00 C ATOM 1525 CD LYS A 94 -22.990 -3.070 -23.970 1.00 0.00 C ATOM 1526 CE LYS A 94 -22.898 -1.667 -24.550 1.00 0.00 C ATOM 1527 NZ LYS A 94 -24.135 -1.291 -25.289 1.00 0.00 N ATOM 0 H LYS A 94 -23.646 -3.392 -18.749 1.00 0.00 H new ATOM 0 HA LYS A 94 -24.525 -2.795 -20.698 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -22.621 -4.915 -21.396 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -23.944 -4.834 -22.541 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -23.117 -2.147 -22.037 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -21.663 -3.093 -22.284 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -22.265 -3.717 -24.463 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -23.977 -3.485 -24.173 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -22.724 -0.952 -23.746 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -22.041 -1.607 -25.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -24.033 -0.328 -25.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -24.288 -1.958 -26.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -24.949 -1.324 -24.643 1.00 0.00 H new ATOM 1541 N ILE A 95 -26.431 -4.184 -21.869 1.00 0.00 N ATOM 1542 CA ILE A 95 -27.728 -4.788 -22.151 1.00 0.00 C ATOM 1543 C ILE A 95 -27.730 -5.475 -23.512 1.00 0.00 C ATOM 1544 O ILE A 95 -28.473 -6.432 -23.735 1.00 0.00 O ATOM 1545 CB ILE A 95 -28.856 -3.740 -22.115 1.00 0.00 C ATOM 1546 CG1 ILE A 95 -30.221 -4.425 -22.207 1.00 0.00 C ATOM 1547 CG2 ILE A 95 -28.684 -2.738 -23.247 1.00 0.00 C ATOM 1548 CD1 ILE A 95 -31.364 -3.564 -21.716 1.00 0.00 C ATOM 0 H ILE A 95 -26.159 -3.445 -22.518 1.00 0.00 H new ATOM 0 HA ILE A 95 -27.907 -5.530 -21.373 1.00 0.00 H new ATOM 0 HB ILE A 95 -28.803 -3.203 -21.168 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -30.408 -4.706 -23.243 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -30.196 -5.347 -21.626 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -29.489 -2.004 -23.208 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -27.725 -2.231 -23.142 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -28.715 -3.260 -24.203 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -32.300 -4.114 -21.811 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -31.200 -3.304 -20.670 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -31.416 -2.653 -22.313 1.00 0.00 H new ATOM 1560 N LEU A 96 -26.893 -4.983 -24.418 1.00 0.00 N ATOM 1561 CA LEU A 96 -26.796 -5.551 -25.758 1.00 0.00 C ATOM 1562 C LEU A 96 -28.126 -5.435 -26.497 1.00 0.00 C ATOM 1563 O LEU A 96 -29.146 -5.080 -25.906 1.00 0.00 O ATOM 1564 CB LEU A 96 -26.368 -7.018 -25.682 1.00 0.00 C ATOM 1565 CG LEU A 96 -24.915 -7.313 -26.055 1.00 0.00 C ATOM 1566 CD1 LEU A 96 -24.695 -7.113 -27.546 1.00 0.00 C ATOM 1567 CD2 LEU A 96 -23.969 -6.433 -25.251 1.00 0.00 C ATOM 0 H LEU A 96 -26.272 -4.192 -24.249 1.00 0.00 H new ATOM 0 HA LEU A 96 -26.044 -4.988 -26.311 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -26.541 -7.374 -24.666 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -27.016 -7.599 -26.338 1.00 0.00 H new ATOM 0 HG LEU A 96 -24.703 -8.355 -25.815 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.655 -7.328 -27.792 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -25.346 -7.786 -28.103 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -24.926 -6.082 -27.813 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -22.939 -6.657 -25.529 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -24.182 -5.385 -25.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -24.107 -6.627 -24.187 1.00 0.00 H new ATOM 1579 N ARG A 97 -28.107 -5.738 -27.790 1.00 0.00 N ATOM 1580 CA ARG A 97 -29.312 -5.669 -28.609 1.00 0.00 C ATOM 1581 C ARG A 97 -30.088 -6.981 -28.546 1.00 0.00 C ATOM 1582 O ARG A 97 -29.618 -7.963 -27.974 1.00 0.00 O ATOM 1583 CB ARG A 97 -28.950 -5.347 -30.060 1.00 0.00 C ATOM 1584 CG ARG A 97 -29.812 -4.256 -30.675 1.00 0.00 C ATOM 1585 CD ARG A 97 -29.062 -3.499 -31.760 1.00 0.00 C ATOM 1586 NE ARG A 97 -29.474 -2.100 -31.835 1.00 0.00 N ATOM 1587 CZ ARG A 97 -30.571 -1.689 -32.461 1.00 0.00 C ATOM 1588 NH1 ARG A 97 -31.362 -2.565 -33.064 1.00 0.00 N ATOM 1589 NH2 ARG A 97 -30.878 -0.398 -32.486 1.00 0.00 N ATOM 0 H ARG A 97 -27.271 -6.034 -28.294 1.00 0.00 H new ATOM 0 HA ARG A 97 -29.944 -4.874 -28.214 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -27.905 -5.041 -30.106 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -29.044 -6.253 -30.659 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -30.715 -4.698 -31.096 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -30.130 -3.561 -29.898 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -27.991 -3.552 -31.565 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -29.234 -3.980 -32.723 1.00 0.00 H new ATOM 0 HE ARG A 97 -28.887 -1.400 -31.382 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -31.129 -3.558 -33.048 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -32.204 -2.246 -33.544 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -30.271 0.280 -32.024 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -31.721 -0.083 -32.967 1.00 0.00 H new ATOM 1603 N GLU A 98 -31.278 -6.987 -29.138 1.00 0.00 N ATOM 1604 CA GLU A 98 -32.119 -8.178 -29.148 1.00 0.00 C ATOM 1605 C GLU A 98 -32.116 -8.836 -30.525 1.00 0.00 C ATOM 1606 O GLU A 98 -33.077 -8.714 -31.285 1.00 0.00 O ATOM 1607 CB GLU A 98 -33.552 -7.821 -28.745 1.00 0.00 C ATOM 1608 CG GLU A 98 -33.800 -7.900 -27.248 1.00 0.00 C ATOM 1609 CD GLU A 98 -33.997 -9.323 -26.763 1.00 0.00 C ATOM 1610 OE1 GLU A 98 -34.874 -10.021 -27.315 1.00 0.00 O ATOM 1611 OE2 GLU A 98 -33.276 -9.739 -25.833 1.00 0.00 O ATOM 0 H GLU A 98 -31.681 -6.181 -29.616 1.00 0.00 H new ATOM 0 HA GLU A 98 -31.711 -8.885 -28.426 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -33.777 -6.812 -29.089 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -34.242 -8.493 -29.255 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -32.957 -7.454 -26.720 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -34.682 -7.310 -26.998 1.00 0.00 H new ATOM 1618 N TYR A 99 -31.029 -9.531 -30.839 1.00 0.00 N ATOM 1619 CA TYR A 99 -30.898 -10.206 -32.125 1.00 0.00 C ATOM 1620 C TYR A 99 -30.973 -9.206 -33.275 1.00 0.00 C ATOM 1621 O TYR A 99 -31.127 -8.004 -33.058 1.00 0.00 O ATOM 1622 CB TYR A 99 -31.990 -11.265 -32.283 1.00 0.00 C ATOM 1623 CG TYR A 99 -32.091 -12.210 -31.107 1.00 0.00 C ATOM 1624 CD1 TYR A 99 -31.099 -13.151 -30.860 1.00 0.00 C ATOM 1625 CD2 TYR A 99 -33.179 -12.164 -30.244 1.00 0.00 C ATOM 1626 CE1 TYR A 99 -31.187 -14.017 -29.788 1.00 0.00 C ATOM 1627 CE2 TYR A 99 -33.275 -13.025 -29.169 1.00 0.00 C ATOM 1628 CZ TYR A 99 -32.277 -13.950 -28.945 1.00 0.00 C ATOM 1629 OH TYR A 99 -32.369 -14.811 -27.875 1.00 0.00 O ATOM 0 H TYR A 99 -30.225 -9.642 -30.221 1.00 0.00 H new ATOM 0 HA TYR A 99 -29.923 -10.693 -32.153 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -32.950 -10.767 -32.422 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -31.796 -11.842 -33.187 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -30.244 -13.206 -31.518 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -33.963 -11.442 -30.417 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -30.407 -14.743 -29.611 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -34.127 -12.974 -28.507 1.00 0.00 H new ATOM 0 HH TYR A 99 -33.196 -14.632 -27.381 1.00 0.00 H new ATOM 1639 N ARG A 100 -30.865 -9.712 -34.499 1.00 0.00 N ATOM 1640 CA ARG A 100 -30.921 -8.865 -35.684 1.00 0.00 C ATOM 1641 C ARG A 100 -29.863 -7.767 -35.617 1.00 0.00 C ATOM 1642 O ARG A 100 -29.026 -7.752 -34.715 1.00 0.00 O ATOM 1643 CB ARG A 100 -32.311 -8.242 -35.827 1.00 0.00 C ATOM 1644 CG ARG A 100 -33.445 -9.239 -35.660 1.00 0.00 C ATOM 1645 CD ARG A 100 -34.795 -8.600 -35.947 1.00 0.00 C ATOM 1646 NE ARG A 100 -35.173 -7.634 -34.919 1.00 0.00 N ATOM 1647 CZ ARG A 100 -36.114 -6.711 -35.087 1.00 0.00 C ATOM 1648 NH1 ARG A 100 -36.769 -6.631 -36.237 1.00 0.00 N ATOM 1649 NH2 ARG A 100 -36.401 -5.868 -34.105 1.00 0.00 N ATOM 0 H ARG A 100 -30.738 -10.705 -34.696 1.00 0.00 H new ATOM 0 HA ARG A 100 -30.719 -9.488 -36.555 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -32.423 -7.450 -35.086 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -32.391 -7.774 -36.808 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -33.291 -10.083 -36.332 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -33.437 -9.634 -34.644 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -34.762 -8.103 -36.917 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -35.557 -9.377 -36.012 1.00 0.00 H new ATOM 0 HE ARG A 100 -34.688 -7.670 -34.022 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -36.551 -7.279 -36.994 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -37.491 -5.922 -36.364 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -35.899 -5.927 -33.219 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -37.124 -5.160 -34.235 1.00 0.00 H new ATOM 1663 N ASP A 101 -29.909 -6.850 -36.577 1.00 0.00 N ATOM 1664 CA ASP A 101 -28.956 -5.747 -36.627 1.00 0.00 C ATOM 1665 C ASP A 101 -29.659 -4.435 -36.958 1.00 0.00 C ATOM 1666 O ASP A 101 -30.813 -4.225 -36.579 1.00 0.00 O ATOM 1667 CB ASP A 101 -27.867 -6.032 -37.663 1.00 0.00 C ATOM 1668 CG ASP A 101 -26.723 -5.040 -37.589 1.00 0.00 C ATOM 1669 OD1 ASP A 101 -25.917 -5.135 -36.641 1.00 0.00 O ATOM 1670 OD2 ASP A 101 -26.635 -4.169 -38.479 1.00 0.00 O ATOM 0 H ASP A 101 -30.596 -6.848 -37.331 1.00 0.00 H new ATOM 0 HA ASP A 101 -28.496 -5.653 -35.643 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -27.480 -7.040 -37.511 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -28.303 -6.005 -38.661 1.00 0.00 H new TER 1675 ASP A 101