USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 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 56 THR OG1 : rot 46:sc= 0.114 USER MOD Set 1.2: A 83 TYR OH : rot -126:sc= 0.214 USER MOD Single : A 1 MET CE :methyl -139:sc= -0.0169 (180deg=-0.185) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -4.23! C(o=-4.2!,f=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -35:sc= 0.353 USER MOD Single : A 7 HIS : no HD1:sc=-0.000494 X(o=-0.00049,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.136 USER MOD Single : A 15 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 16:sc= 0.59! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.73) USER MOD Single : A 35 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.093) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 56:sc= 0.377 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -150:sc= -0.418 (180deg=-1.35!) USER MOD Single : A 55 HIS : no HD1:sc= -11.9! C(o=-12!,f=-16!) USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= 0.58 (180deg=-0.201) USER MOD Single : A 61 THR OG1 : rot -104:sc= -0.838 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 56:sc= 0.159! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.62) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= 0.237 (180deg=0.0902) USER MOD Single : A 82 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.054) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 91 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.0052) USER MOD Single : A 94 HIS : no HD1:sc= -1.08! C(o=-1.1!,f=-1!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 96 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.336 -10.470 3.038 1.00 0.00 N ATOM 2 CA MET A 1 -3.802 -11.804 2.700 1.00 0.00 C ATOM 3 C MET A 1 -2.683 -12.835 2.863 1.00 0.00 C ATOM 4 O MET A 1 -2.773 -13.725 3.706 1.00 0.00 O ATOM 5 CB MET A 1 -4.303 -11.819 1.254 1.00 0.00 C ATOM 6 CG MET A 1 -5.832 -11.886 1.203 1.00 0.00 C ATOM 7 SD MET A 1 -6.432 -11.051 -0.255 1.00 0.00 S ATOM 8 CE MET A 1 -6.265 -9.353 0.271 1.00 0.00 C ATOM 0 H1 MET A 1 -4.114 -9.790 2.919 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.012 -10.456 4.026 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.549 -10.208 2.411 1.00 0.00 H new ATOM 0 HA MET A 1 -4.614 -12.067 3.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.957 -10.924 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.880 -12.675 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.158 -12.926 1.197 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.254 -11.425 2.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.135 -8.783 -0.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.194 -9.314 1.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.364 -8.923 -0.167 1.00 0.00 H new ATOM 18 N GLU A 2 -1.656 -12.678 2.042 1.00 0.00 N ATOM 19 CA GLU A 2 -0.519 -13.583 2.085 1.00 0.00 C ATOM 20 C GLU A 2 0.513 -13.188 1.027 1.00 0.00 C ATOM 21 O GLU A 2 0.309 -13.424 -0.163 1.00 0.00 O ATOM 22 CB GLU A 2 -0.967 -15.034 1.899 1.00 0.00 C ATOM 23 CG GLU A 2 -1.919 -15.166 0.709 1.00 0.00 C ATOM 24 CD GLU A 2 -2.743 -16.452 0.805 1.00 0.00 C ATOM 25 OE1 GLU A 2 -2.145 -17.481 1.188 1.00 0.00 O ATOM 26 OE2 GLU A 2 -3.951 -16.378 0.494 1.00 0.00 O ATOM 0 H GLU A 2 -1.587 -11.938 1.343 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.053 -13.504 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.096 -15.670 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.461 -15.385 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.586 -14.304 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.348 -15.164 -0.220 1.00 0.00 H new ATOM 33 N ASN A 3 1.601 -12.595 1.499 1.00 0.00 N ATOM 34 CA ASN A 3 2.665 -12.166 0.609 1.00 0.00 C ATOM 35 C ASN A 3 4.017 -12.546 1.217 1.00 0.00 C ATOM 36 O ASN A 3 4.503 -11.878 2.127 1.00 0.00 O ATOM 37 CB ASN A 3 2.645 -10.648 0.416 1.00 0.00 C ATOM 38 CG ASN A 3 1.209 -10.121 0.373 1.00 0.00 C ATOM 39 OD1 ASN A 3 0.706 -9.702 -0.657 1.00 0.00 O ATOM 40 ND2 ASN A 3 0.580 -10.165 1.543 1.00 0.00 N ATOM 0 H ASN A 3 1.767 -12.402 2.487 1.00 0.00 H new ATOM 0 HA ASN A 3 2.515 -12.654 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.189 -10.167 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.160 -10.388 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.383 -9.836 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.060 -10.528 2.367 1.00 0.00 H new ATOM 47 N LYS A 4 4.585 -13.621 0.688 1.00 0.00 N ATOM 48 CA LYS A 4 5.871 -14.099 1.167 1.00 0.00 C ATOM 49 C LYS A 4 6.860 -14.149 0.000 1.00 0.00 C ATOM 50 O LYS A 4 7.596 -15.123 -0.152 1.00 0.00 O ATOM 51 CB LYS A 4 5.709 -15.436 1.894 1.00 0.00 C ATOM 52 CG LYS A 4 5.179 -16.515 0.945 1.00 0.00 C ATOM 53 CD LYS A 4 5.732 -17.892 1.319 1.00 0.00 C ATOM 54 CE LYS A 4 4.937 -19.005 0.634 1.00 0.00 C ATOM 55 NZ LYS A 4 5.505 -19.303 -0.700 1.00 0.00 N ATOM 0 H LYS A 4 4.178 -14.174 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 4 6.283 -13.409 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.668 -15.749 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.025 -15.317 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.090 -16.534 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.459 -16.273 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.781 -17.958 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.691 -18.023 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.952 -19.903 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.894 -18.705 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.953 -20.061 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.468 -18.449 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.493 -19.609 -0.596 1.00 0.00 H new ATOM 69 N LYS A 5 6.842 -13.089 -0.795 1.00 0.00 N ATOM 70 CA LYS A 5 7.726 -13.000 -1.943 1.00 0.00 C ATOM 71 C LYS A 5 7.538 -11.642 -2.622 1.00 0.00 C ATOM 72 O LYS A 5 6.431 -11.108 -2.655 1.00 0.00 O ATOM 73 CB LYS A 5 7.511 -14.190 -2.879 1.00 0.00 C ATOM 74 CG LYS A 5 8.803 -14.552 -3.614 1.00 0.00 C ATOM 75 CD LYS A 5 8.705 -14.203 -5.100 1.00 0.00 C ATOM 76 CE LYS A 5 7.777 -15.174 -5.832 1.00 0.00 C ATOM 77 NZ LYS A 5 8.396 -15.626 -7.098 1.00 0.00 N ATOM 0 H LYS A 5 6.228 -12.284 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 5 8.767 -13.057 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.162 -15.049 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.732 -13.951 -3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.642 -14.019 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.004 -15.617 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.334 -13.184 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.697 -14.233 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.566 -16.034 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.823 -14.689 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.753 -16.285 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.576 -14.804 -7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.295 -16.107 -6.893 1.00 0.00 H new ATOM 91 N SER A 6 8.637 -11.122 -3.148 1.00 0.00 N ATOM 92 CA SER A 6 8.608 -9.836 -3.825 1.00 0.00 C ATOM 93 C SER A 6 8.257 -8.730 -2.830 1.00 0.00 C ATOM 94 O SER A 6 8.445 -8.890 -1.624 1.00 0.00 O ATOM 95 CB SER A 6 7.606 -9.847 -4.983 1.00 0.00 C ATOM 96 OG SER A 6 6.271 -9.629 -4.536 1.00 0.00 O ATOM 0 H SER A 6 9.554 -11.568 -3.119 1.00 0.00 H new ATOM 0 HA SER A 6 9.598 -9.643 -4.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.877 -9.076 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.663 -10.804 -5.502 1.00 0.00 H new ATOM 0 HG SER A 6 6.148 -10.047 -3.658 1.00 0.00 H new ATOM 102 N HIS A 7 7.751 -7.630 -3.370 1.00 0.00 N ATOM 103 CA HIS A 7 7.372 -6.497 -2.544 1.00 0.00 C ATOM 104 C HIS A 7 5.940 -6.075 -2.878 1.00 0.00 C ATOM 105 O HIS A 7 5.606 -5.866 -4.043 1.00 0.00 O ATOM 106 CB HIS A 7 8.377 -5.352 -2.696 1.00 0.00 C ATOM 107 CG HIS A 7 9.586 -5.475 -1.799 1.00 0.00 C ATOM 108 ND1 HIS A 7 10.815 -5.914 -2.253 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.739 -5.208 -0.470 1.00 0.00 C ATOM 110 CE1 HIS A 7 11.665 -5.910 -1.236 1.00 0.00 C ATOM 111 NE2 HIS A 7 10.994 -5.473 -0.132 1.00 0.00 N ATOM 0 H HIS A 7 7.595 -7.500 -4.370 1.00 0.00 H new ATOM 0 HA HIS A 7 7.394 -6.786 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.709 -5.309 -3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.873 -4.409 -2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.969 -4.843 0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.704 -6.201 -1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.392 -5.367 0.801 1.00 0.00 H new ATOM 119 N TYR A 8 5.131 -5.962 -1.834 1.00 0.00 N ATOM 120 CA TYR A 8 3.743 -5.569 -2.001 1.00 0.00 C ATOM 121 C TYR A 8 3.442 -4.276 -1.239 1.00 0.00 C ATOM 122 O TYR A 8 3.719 -4.178 -0.045 1.00 0.00 O ATOM 123 CB TYR A 8 2.908 -6.705 -1.404 1.00 0.00 C ATOM 124 CG TYR A 8 2.612 -7.841 -2.385 1.00 0.00 C ATOM 125 CD1 TYR A 8 3.647 -8.595 -2.901 1.00 0.00 C ATOM 126 CD2 TYR A 8 1.310 -8.113 -2.752 1.00 0.00 C ATOM 127 CE1 TYR A 8 3.369 -9.664 -3.824 1.00 0.00 C ATOM 128 CE2 TYR A 8 1.031 -9.183 -3.676 1.00 0.00 C ATOM 129 CZ TYR A 8 2.074 -9.906 -4.165 1.00 0.00 C ATOM 130 OH TYR A 8 1.811 -10.916 -5.037 1.00 0.00 O ATOM 0 H TYR A 8 5.411 -6.136 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 8 3.519 -5.393 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.433 -7.112 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.965 -6.297 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.666 -8.383 -2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.500 -7.524 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.170 -10.260 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.017 -9.406 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 8 0.844 -10.974 -5.188 1.00 0.00 H new ATOM 140 N PHE A 9 2.882 -3.319 -1.962 1.00 0.00 N ATOM 141 CA PHE A 9 2.540 -2.037 -1.369 1.00 0.00 C ATOM 142 C PHE A 9 1.148 -2.078 -0.736 1.00 0.00 C ATOM 143 O PHE A 9 0.162 -2.368 -1.413 1.00 0.00 O ATOM 144 CB PHE A 9 2.544 -1.007 -2.500 1.00 0.00 C ATOM 145 CG PHE A 9 2.893 0.413 -2.048 1.00 0.00 C ATOM 146 CD1 PHE A 9 4.186 0.749 -1.800 1.00 0.00 C ATOM 147 CD2 PHE A 9 1.908 1.338 -1.891 1.00 0.00 C ATOM 148 CE1 PHE A 9 4.511 2.066 -1.380 1.00 0.00 C ATOM 149 CE2 PHE A 9 2.232 2.655 -1.472 1.00 0.00 C ATOM 150 CZ PHE A 9 3.526 2.992 -1.224 1.00 0.00 C ATOM 0 H PHE A 9 2.656 -3.405 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 9 3.256 -1.786 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.259 -1.321 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.561 -0.996 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.967 0.014 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.880 1.070 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.539 2.333 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.450 3.390 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.772 3.994 -0.904 1.00 0.00 H new ATOM 160 N TYR A 10 1.111 -1.783 0.555 1.00 0.00 N ATOM 161 CA TYR A 10 -0.145 -1.783 1.287 1.00 0.00 C ATOM 162 C TYR A 10 -0.383 -0.432 1.967 1.00 0.00 C ATOM 163 O TYR A 10 0.567 0.255 2.338 1.00 0.00 O ATOM 164 CB TYR A 10 -0.008 -2.863 2.360 1.00 0.00 C ATOM 165 CG TYR A 10 1.206 -2.682 3.274 1.00 0.00 C ATOM 166 CD1 TYR A 10 1.239 -1.638 4.178 1.00 0.00 C ATOM 167 CD2 TYR A 10 2.266 -3.561 3.196 1.00 0.00 C ATOM 168 CE1 TYR A 10 2.381 -1.468 5.039 1.00 0.00 C ATOM 169 CE2 TYR A 10 3.408 -3.390 4.057 1.00 0.00 C ATOM 170 CZ TYR A 10 3.409 -2.351 4.936 1.00 0.00 C ATOM 171 OH TYR A 10 4.488 -2.189 5.749 1.00 0.00 O ATOM 0 H TYR A 10 1.930 -1.542 1.113 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.982 -1.967 0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.911 -2.871 2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.058 -3.837 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.409 -0.950 4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.240 -4.377 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.420 -0.657 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.245 -4.071 4.006 1.00 0.00 H new ATOM 0 HH TYR A 10 5.144 -2.893 5.566 1.00 0.00 H new ATOM 181 N VAL A 11 -1.656 -0.092 2.106 1.00 0.00 N ATOM 182 CA VAL A 11 -2.030 1.163 2.734 1.00 0.00 C ATOM 183 C VAL A 11 -2.689 0.876 4.085 1.00 0.00 C ATOM 184 O VAL A 11 -3.902 0.689 4.161 1.00 0.00 O ATOM 185 CB VAL A 11 -2.925 1.973 1.793 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.671 3.070 2.555 1.00 0.00 C ATOM 187 CG2 VAL A 11 -2.114 2.562 0.638 1.00 0.00 C ATOM 0 H VAL A 11 -2.441 -0.664 1.794 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.147 1.772 2.926 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.667 1.296 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.300 3.631 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.294 2.618 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.951 3.744 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.774 3.133 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.340 3.218 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.650 1.755 0.071 1.00 0.00 H new ATOM 197 N LEU A 12 -1.860 0.850 5.118 1.00 0.00 N ATOM 198 CA LEU A 12 -2.346 0.589 6.461 1.00 0.00 C ATOM 199 C LEU A 12 -3.026 1.846 7.007 1.00 0.00 C ATOM 200 O LEU A 12 -2.408 2.907 7.083 1.00 0.00 O ATOM 201 CB LEU A 12 -1.214 0.067 7.349 1.00 0.00 C ATOM 202 CG LEU A 12 -0.803 -1.390 7.126 1.00 0.00 C ATOM 203 CD1 LEU A 12 0.358 -1.779 8.043 1.00 0.00 C ATOM 204 CD2 LEU A 12 -2.000 -2.328 7.287 1.00 0.00 C ATOM 0 H LEU A 12 -0.854 1.006 5.051 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.098 -0.200 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.339 0.698 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.513 0.184 8.391 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.450 -1.492 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.630 -2.819 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.215 -1.139 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.057 -1.657 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.680 -3.357 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.406 -2.230 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.768 -2.066 6.559 1.00 0.00 H new ATOM 216 N LEU A 13 -4.289 1.686 7.372 1.00 0.00 N ATOM 217 CA LEU A 13 -5.060 2.796 7.908 1.00 0.00 C ATOM 218 C LEU A 13 -5.316 2.561 9.397 1.00 0.00 C ATOM 219 O LEU A 13 -5.619 1.442 9.811 1.00 0.00 O ATOM 220 CB LEU A 13 -6.336 3.006 7.091 1.00 0.00 C ATOM 221 CG LEU A 13 -7.449 3.800 7.778 1.00 0.00 C ATOM 222 CD1 LEU A 13 -8.414 4.392 6.749 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.173 2.941 8.817 1.00 0.00 C ATOM 0 H LEU A 13 -4.798 0.805 7.307 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.498 3.726 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.071 3.516 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.732 2.029 6.814 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.995 4.635 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.196 4.951 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.869 5.059 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.866 3.587 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.959 3.529 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.614 2.073 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.462 2.609 9.574 1.00 0.00 H new ATOM 235 N CYS A 14 -5.184 3.633 10.165 1.00 0.00 N ATOM 236 CA CYS A 14 -5.397 3.558 11.600 1.00 0.00 C ATOM 237 C CYS A 14 -6.624 4.403 11.949 1.00 0.00 C ATOM 238 O CYS A 14 -7.254 4.982 11.066 1.00 0.00 O ATOM 239 CB CYS A 14 -4.157 4.001 12.381 1.00 0.00 C ATOM 240 SG CYS A 14 -3.629 5.663 11.824 1.00 0.00 S ATOM 0 H CYS A 14 -4.932 4.559 9.820 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.576 2.523 11.889 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.376 4.019 13.449 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.349 3.285 12.233 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.578 6.031 12.494 1.00 0.00 H new ATOM 246 N GLN A 15 -6.926 4.445 13.238 1.00 0.00 N ATOM 247 CA GLN A 15 -8.066 5.210 13.714 1.00 0.00 C ATOM 248 C GLN A 15 -7.878 6.695 13.399 1.00 0.00 C ATOM 249 O GLN A 15 -8.851 7.414 13.173 1.00 0.00 O ATOM 250 CB GLN A 15 -8.287 4.990 15.213 1.00 0.00 C ATOM 251 CG GLN A 15 -8.925 3.625 15.478 1.00 0.00 C ATOM 252 CD GLN A 15 -10.384 3.776 15.912 1.00 0.00 C ATOM 253 OE1 GLN A 15 -10.808 4.810 16.403 1.00 0.00 O ATOM 254 NE2 GLN A 15 -11.125 2.691 15.706 1.00 0.00 N ATOM 0 H GLN A 15 -6.401 3.962 13.967 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.957 4.859 13.194 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.335 5.059 15.739 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.927 5.778 15.609 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.871 3.014 14.577 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.364 3.102 16.252 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.706 1.859 15.291 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.112 2.691 15.963 1.00 0.00 H new ATOM 263 N ASP A 16 -6.620 7.112 13.397 1.00 0.00 N ATOM 264 CA ASP A 16 -6.292 8.499 13.114 1.00 0.00 C ATOM 265 C ASP A 16 -6.758 8.851 11.700 1.00 0.00 C ATOM 266 O ASP A 16 -6.866 10.025 11.353 1.00 0.00 O ATOM 267 CB ASP A 16 -4.782 8.734 13.187 1.00 0.00 C ATOM 268 CG ASP A 16 -4.363 10.186 13.419 1.00 0.00 C ATOM 269 OD1 ASP A 16 -5.076 11.072 12.899 1.00 0.00 O ATOM 270 OD2 ASP A 16 -3.340 10.379 14.112 1.00 0.00 O ATOM 0 H ASP A 16 -5.816 6.514 13.587 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.790 9.121 13.857 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.373 8.121 13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.330 8.386 12.258 1.00 0.00 H new ATOM 275 N GLY A 17 -7.020 7.811 10.922 1.00 0.00 N ATOM 276 CA GLY A 17 -7.471 7.995 9.554 1.00 0.00 C ATOM 277 C GLY A 17 -6.314 8.413 8.646 1.00 0.00 C ATOM 278 O GLY A 17 -6.510 9.151 7.682 1.00 0.00 O ATOM 0 H GLY A 17 -6.928 6.838 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.911 7.069 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.253 8.753 9.524 1.00 0.00 H new ATOM 282 N SER A 18 -5.131 7.921 8.986 1.00 0.00 N ATOM 283 CA SER A 18 -3.941 8.233 8.213 1.00 0.00 C ATOM 284 C SER A 18 -3.608 7.073 7.272 1.00 0.00 C ATOM 285 O SER A 18 -3.840 5.914 7.607 1.00 0.00 O ATOM 286 CB SER A 18 -2.752 8.533 9.129 1.00 0.00 C ATOM 287 OG SER A 18 -2.731 9.894 9.549 1.00 0.00 O ATOM 0 H SER A 18 -4.972 7.309 9.786 1.00 0.00 H new ATOM 0 HA SER A 18 -4.143 9.125 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.796 7.884 10.004 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.824 8.301 8.606 1.00 0.00 H new ATOM 0 HG SER A 18 -1.959 10.044 10.133 1.00 0.00 H new ATOM 293 N PHE A 19 -3.068 7.428 6.115 1.00 0.00 N ATOM 294 CA PHE A 19 -2.700 6.431 5.125 1.00 0.00 C ATOM 295 C PHE A 19 -1.202 6.125 5.184 1.00 0.00 C ATOM 296 O PHE A 19 -0.382 6.943 4.772 1.00 0.00 O ATOM 297 CB PHE A 19 -3.035 7.019 3.752 1.00 0.00 C ATOM 298 CG PHE A 19 -4.534 7.173 3.490 1.00 0.00 C ATOM 299 CD1 PHE A 19 -5.361 6.100 3.617 1.00 0.00 C ATOM 300 CD2 PHE A 19 -5.041 8.383 3.130 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.752 6.244 3.375 1.00 0.00 C ATOM 302 CE2 PHE A 19 -6.432 8.527 2.886 1.00 0.00 C ATOM 303 CZ PHE A 19 -7.259 7.454 3.014 1.00 0.00 C ATOM 0 H PHE A 19 -2.877 8.392 5.842 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.240 5.503 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.558 7.995 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.605 6.380 2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.959 5.139 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.385 9.235 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.409 5.393 3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.834 9.488 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.317 7.563 2.829 1.00 0.00 H new ATOM 313 N TYR A 20 -0.892 4.946 5.700 1.00 0.00 N ATOM 314 CA TYR A 20 0.493 4.521 5.819 1.00 0.00 C ATOM 315 C TYR A 20 0.908 3.664 4.621 1.00 0.00 C ATOM 316 O TYR A 20 0.534 2.495 4.531 1.00 0.00 O ATOM 317 CB TYR A 20 0.566 3.672 7.089 1.00 0.00 C ATOM 318 CG TYR A 20 1.928 3.711 7.786 1.00 0.00 C ATOM 319 CD1 TYR A 20 2.365 4.877 8.383 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.720 2.581 7.818 1.00 0.00 C ATOM 321 CE1 TYR A 20 3.647 4.914 9.038 1.00 0.00 C ATOM 322 CE2 TYR A 20 4.001 2.618 8.473 1.00 0.00 C ATOM 323 CZ TYR A 20 4.402 3.783 9.051 1.00 0.00 C ATOM 324 OH TYR A 20 5.612 3.817 9.670 1.00 0.00 O ATOM 0 H TYR A 20 -1.576 4.271 6.041 1.00 0.00 H new ATOM 0 HA TYR A 20 1.158 5.384 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.198 4.014 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.328 2.639 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.745 5.761 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.378 1.669 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.001 5.820 9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.630 1.741 8.505 1.00 0.00 H new ATOM 0 HH TYR A 20 6.039 2.938 9.601 1.00 0.00 H new ATOM 334 N GLY A 21 1.676 4.277 3.733 1.00 0.00 N ATOM 335 CA GLY A 21 2.146 3.584 2.546 1.00 0.00 C ATOM 336 C GLY A 21 3.424 2.797 2.840 1.00 0.00 C ATOM 337 O GLY A 21 4.487 3.383 3.040 1.00 0.00 O ATOM 0 H GLY A 21 1.985 5.246 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.372 2.906 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.334 4.305 1.750 1.00 0.00 H new ATOM 341 N GLY A 22 3.278 1.480 2.858 1.00 0.00 N ATOM 342 CA GLY A 22 4.407 0.604 3.125 1.00 0.00 C ATOM 343 C GLY A 22 4.656 -0.344 1.950 1.00 0.00 C ATOM 344 O GLY A 22 3.784 -0.528 1.102 1.00 0.00 O ATOM 0 H GLY A 22 2.395 0.998 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.300 1.202 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.217 0.026 4.029 1.00 0.00 H new ATOM 348 N TYR A 23 5.847 -0.921 1.940 1.00 0.00 N ATOM 349 CA TYR A 23 6.221 -1.848 0.884 1.00 0.00 C ATOM 350 C TYR A 23 6.907 -3.088 1.460 1.00 0.00 C ATOM 351 O TYR A 23 8.095 -3.055 1.774 1.00 0.00 O ATOM 352 CB TYR A 23 7.215 -1.096 -0.003 1.00 0.00 C ATOM 353 CG TYR A 23 8.487 -0.653 0.723 1.00 0.00 C ATOM 354 CD1 TYR A 23 8.461 0.457 1.543 1.00 0.00 C ATOM 355 CD2 TYR A 23 9.658 -1.362 0.557 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.658 0.874 2.227 1.00 0.00 C ATOM 357 CE2 TYR A 23 10.855 -0.945 1.241 1.00 0.00 C ATOM 358 CZ TYR A 23 10.796 0.153 2.042 1.00 0.00 C ATOM 359 OH TYR A 23 11.926 0.548 2.687 1.00 0.00 O ATOM 0 H TYR A 23 6.567 -0.765 2.646 1.00 0.00 H new ATOM 0 HA TYR A 23 5.340 -2.182 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.492 -1.734 -0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.722 -0.217 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.544 1.012 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.678 -2.230 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.652 1.740 2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.779 -1.492 1.121 1.00 0.00 H new ATOM 0 HH TYR A 23 12.661 -0.060 2.462 1.00 0.00 H new ATOM 369 N THR A 24 6.127 -4.154 1.581 1.00 0.00 N ATOM 370 CA THR A 24 6.645 -5.402 2.112 1.00 0.00 C ATOM 371 C THR A 24 5.664 -6.544 1.842 1.00 0.00 C ATOM 372 O THR A 24 4.606 -6.332 1.250 1.00 0.00 O ATOM 373 CB THR A 24 6.942 -5.195 3.599 1.00 0.00 C ATOM 374 OG1 THR A 24 8.233 -5.771 3.780 1.00 0.00 O ATOM 375 CG2 THR A 24 6.032 -6.033 4.499 1.00 0.00 C ATOM 0 H THR A 24 5.141 -4.178 1.320 1.00 0.00 H new ATOM 0 HA THR A 24 7.573 -5.688 1.617 1.00 0.00 H new ATOM 0 HB THR A 24 6.829 -4.140 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.504 -5.679 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.284 -5.849 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.992 -5.757 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.170 -7.090 4.273 1.00 0.00 H new ATOM 383 N THR A 25 6.048 -7.731 2.289 1.00 0.00 N ATOM 384 CA THR A 25 5.216 -8.907 2.102 1.00 0.00 C ATOM 385 C THR A 25 5.146 -9.722 3.395 1.00 0.00 C ATOM 386 O THR A 25 6.175 -10.036 3.992 1.00 0.00 O ATOM 387 CB THR A 25 5.771 -9.696 0.916 1.00 0.00 C ATOM 388 OG1 THR A 25 6.994 -10.243 1.403 1.00 0.00 O ATOM 389 CG2 THR A 25 6.203 -8.791 -0.239 1.00 0.00 C ATOM 0 H THR A 25 6.925 -7.903 2.781 1.00 0.00 H new ATOM 0 HA THR A 25 4.187 -8.630 1.873 1.00 0.00 H new ATOM 0 HB THR A 25 5.016 -10.399 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.014 -10.181 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.589 -9.402 -1.055 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.346 -8.216 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.982 -8.110 0.104 1.00 0.00 H new ATOM 397 N GLU A 26 3.924 -10.042 3.790 1.00 0.00 N ATOM 398 CA GLU A 26 3.706 -10.814 5.003 1.00 0.00 C ATOM 399 C GLU A 26 3.856 -9.921 6.235 1.00 0.00 C ATOM 400 O GLU A 26 4.833 -10.036 6.975 1.00 0.00 O ATOM 401 CB GLU A 26 4.661 -12.007 5.070 1.00 0.00 C ATOM 402 CG GLU A 26 3.894 -13.310 5.311 1.00 0.00 C ATOM 403 CD GLU A 26 2.776 -13.486 4.283 1.00 0.00 C ATOM 404 OE1 GLU A 26 3.085 -14.016 3.193 1.00 0.00 O ATOM 405 OE2 GLU A 26 1.636 -13.088 4.610 1.00 0.00 O ATOM 0 H GLU A 26 3.073 -9.781 3.292 1.00 0.00 H new ATOM 0 HA GLU A 26 2.689 -11.205 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.225 -12.079 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.385 -11.854 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.580 -14.155 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.472 -13.307 6.316 1.00 0.00 H new ATOM 412 N PRO A 27 2.848 -9.028 6.425 1.00 0.00 N ATOM 413 CA PRO A 27 2.859 -8.116 7.556 1.00 0.00 C ATOM 414 C PRO A 27 2.502 -8.846 8.852 1.00 0.00 C ATOM 415 O PRO A 27 2.801 -8.362 9.942 1.00 0.00 O ATOM 416 CB PRO A 27 1.860 -7.028 7.193 1.00 0.00 C ATOM 417 CG PRO A 27 0.990 -7.611 6.090 1.00 0.00 C ATOM 418 CD PRO A 27 1.676 -8.864 5.570 1.00 0.00 C ATOM 0 HA PRO A 27 3.844 -7.688 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.258 -6.746 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.370 -6.127 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.002 -7.850 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.856 -6.887 5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.017 -9.730 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.962 -8.754 4.524 1.00 0.00 H new ATOM 426 N GLU A 28 1.867 -9.998 8.689 1.00 0.00 N ATOM 427 CA GLU A 28 1.467 -10.799 9.833 1.00 0.00 C ATOM 428 C GLU A 28 2.659 -11.028 10.765 1.00 0.00 C ATOM 429 O GLU A 28 2.600 -10.695 11.948 1.00 0.00 O ATOM 430 CB GLU A 28 0.859 -12.129 9.385 1.00 0.00 C ATOM 431 CG GLU A 28 -0.668 -12.036 9.309 1.00 0.00 C ATOM 432 CD GLU A 28 -1.292 -13.420 9.128 1.00 0.00 C ATOM 433 OE1 GLU A 28 -1.149 -14.236 10.065 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.900 -13.633 8.055 1.00 0.00 O ATOM 0 H GLU A 28 1.620 -10.395 7.783 1.00 0.00 H new ATOM 0 HA GLU A 28 0.701 -10.253 10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.259 -12.406 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.145 -12.917 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.054 -11.575 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.956 -11.392 8.478 1.00 0.00 H new ATOM 441 N ARG A 29 3.713 -11.593 10.197 1.00 0.00 N ATOM 442 CA ARG A 29 4.917 -11.870 10.961 1.00 0.00 C ATOM 443 C ARG A 29 5.706 -10.579 11.196 1.00 0.00 C ATOM 444 O ARG A 29 6.464 -10.479 12.159 1.00 0.00 O ATOM 445 CB ARG A 29 5.810 -12.879 10.235 1.00 0.00 C ATOM 446 CG ARG A 29 6.330 -12.303 8.916 1.00 0.00 C ATOM 447 CD ARG A 29 7.604 -13.022 8.468 1.00 0.00 C ATOM 448 NE ARG A 29 7.675 -13.051 6.990 1.00 0.00 N ATOM 449 CZ ARG A 29 8.379 -13.952 6.289 1.00 0.00 C ATOM 450 NH1 ARG A 29 9.075 -14.902 6.928 1.00 0.00 N ATOM 451 NH2 ARG A 29 8.384 -13.902 4.951 1.00 0.00 N ATOM 0 H ARG A 29 3.759 -11.867 9.216 1.00 0.00 H new ATOM 0 HA ARG A 29 4.612 -12.293 11.918 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.651 -13.151 10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.249 -13.793 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.564 -12.399 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.531 -11.238 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.480 -12.514 8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.615 -14.039 8.861 1.00 0.00 H new ATOM 0 HE ARG A 29 7.156 -12.342 6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.069 -14.940 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.610 -15.587 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.853 -13.179 4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.919 -14.587 4.417 1.00 0.00 H new ATOM 465 N ARG A 30 5.498 -9.625 10.301 1.00 0.00 N ATOM 466 CA ARG A 30 6.179 -8.346 10.400 1.00 0.00 C ATOM 467 C ARG A 30 5.640 -7.548 11.589 1.00 0.00 C ATOM 468 O ARG A 30 6.402 -6.894 12.298 1.00 0.00 O ATOM 469 CB ARG A 30 5.999 -7.526 9.120 1.00 0.00 C ATOM 470 CG ARG A 30 7.135 -6.512 8.954 1.00 0.00 C ATOM 471 CD ARG A 30 7.847 -6.704 7.613 1.00 0.00 C ATOM 472 NE ARG A 30 9.062 -7.529 7.800 1.00 0.00 N ATOM 473 CZ ARG A 30 10.099 -7.176 8.573 1.00 0.00 C ATOM 474 NH1 ARG A 30 10.074 -6.012 9.237 1.00 0.00 N ATOM 475 NH2 ARG A 30 11.159 -7.988 8.684 1.00 0.00 N ATOM 0 H ARG A 30 4.868 -9.712 9.504 1.00 0.00 H new ATOM 0 HA ARG A 30 7.241 -8.546 10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.972 -8.192 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.042 -7.004 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.736 -5.500 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.850 -6.624 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.176 -7.185 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.116 -5.735 7.192 1.00 0.00 H new ATOM 0 HE ARG A 30 9.113 -8.422 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.266 -5.395 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.863 -5.743 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.177 -8.875 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.948 -7.719 9.272 1.00 0.00 H new ATOM 489 N LEU A 31 4.330 -7.628 11.768 1.00 0.00 N ATOM 490 CA LEU A 31 3.680 -6.921 12.860 1.00 0.00 C ATOM 491 C LEU A 31 4.119 -7.533 14.191 1.00 0.00 C ATOM 492 O LEU A 31 4.740 -6.860 15.012 1.00 0.00 O ATOM 493 CB LEU A 31 2.162 -6.907 12.660 1.00 0.00 C ATOM 494 CG LEU A 31 1.501 -5.528 12.644 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.749 -4.817 11.312 1.00 0.00 C ATOM 496 CD2 LEU A 31 0.009 -5.632 12.969 1.00 0.00 C ATOM 0 H LEU A 31 3.701 -8.171 11.176 1.00 0.00 H new ATOM 0 HA LEU A 31 3.987 -5.875 12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.935 -7.408 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.705 -7.498 13.454 1.00 0.00 H new ATOM 0 HG LEU A 31 1.959 -4.920 13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.268 -3.839 11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.821 -4.692 11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.334 -5.413 10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.437 -4.638 12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.482 -6.263 12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.118 -6.069 13.959 1.00 0.00 H new ATOM 508 N THR A 32 3.780 -8.802 14.364 1.00 0.00 N ATOM 509 CA THR A 32 4.133 -9.511 15.582 1.00 0.00 C ATOM 510 C THR A 32 5.611 -9.299 15.915 1.00 0.00 C ATOM 511 O THR A 32 5.986 -9.247 17.084 1.00 0.00 O ATOM 512 CB THR A 32 3.756 -10.982 15.398 1.00 0.00 C ATOM 513 OG1 THR A 32 4.325 -11.630 16.532 1.00 0.00 O ATOM 514 CG2 THR A 32 4.468 -11.625 14.205 1.00 0.00 C ATOM 0 H THR A 32 3.265 -9.357 13.681 1.00 0.00 H new ATOM 0 HA THR A 32 3.582 -9.124 16.439 1.00 0.00 H new ATOM 0 HB THR A 32 2.677 -11.066 15.265 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.127 -12.589 16.494 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.165 -12.669 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.200 -11.094 13.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.547 -11.571 14.353 1.00 0.00 H new ATOM 522 N GLU A 33 6.410 -9.181 14.865 1.00 0.00 N ATOM 523 CA GLU A 33 7.838 -8.976 15.030 1.00 0.00 C ATOM 524 C GLU A 33 8.102 -7.933 16.117 1.00 0.00 C ATOM 525 O GLU A 33 8.681 -8.244 17.156 1.00 0.00 O ATOM 526 CB GLU A 33 8.490 -8.567 13.707 1.00 0.00 C ATOM 527 CG GLU A 33 10.005 -8.773 13.757 1.00 0.00 C ATOM 528 CD GLU A 33 10.732 -7.692 12.954 1.00 0.00 C ATOM 529 OE1 GLU A 33 10.259 -7.403 11.834 1.00 0.00 O ATOM 530 OE2 GLU A 33 11.745 -7.179 13.480 1.00 0.00 O ATOM 0 H GLU A 33 6.095 -9.224 13.896 1.00 0.00 H new ATOM 0 HA GLU A 33 8.287 -9.919 15.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.066 -9.153 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.268 -7.521 13.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.345 -8.752 14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.255 -9.757 13.359 1.00 0.00 H new ATOM 537 N HIS A 34 7.664 -6.713 15.840 1.00 0.00 N ATOM 538 CA HIS A 34 7.845 -5.621 16.781 1.00 0.00 C ATOM 539 C HIS A 34 6.822 -5.743 17.912 1.00 0.00 C ATOM 540 O HIS A 34 7.177 -5.653 19.088 1.00 0.00 O ATOM 541 CB HIS A 34 7.779 -4.269 16.066 1.00 0.00 C ATOM 542 CG HIS A 34 6.387 -3.871 15.634 1.00 0.00 C ATOM 543 ND1 HIS A 34 5.574 -3.047 16.393 1.00 0.00 N ATOM 544 CD2 HIS A 34 5.677 -4.190 14.515 1.00 0.00 C ATOM 545 CE1 HIS A 34 4.428 -2.886 15.749 1.00 0.00 C ATOM 546 NE2 HIS A 34 4.492 -3.596 14.586 1.00 0.00 N ATOM 0 H HIS A 34 7.184 -6.457 14.977 1.00 0.00 H new ATOM 0 HA HIS A 34 8.838 -5.682 17.227 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.177 -3.500 16.728 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.426 -4.301 15.189 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.020 -4.819 13.707 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.589 -2.295 16.086 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.752 -3.660 13.887 1.00 0.00 H new ATOM 554 N ASN A 35 5.574 -5.946 17.519 1.00 0.00 N ATOM 555 CA ASN A 35 4.497 -6.081 18.485 1.00 0.00 C ATOM 556 C ASN A 35 4.957 -6.985 19.630 1.00 0.00 C ATOM 557 O ASN A 35 4.969 -6.570 20.788 1.00 0.00 O ATOM 558 CB ASN A 35 3.261 -6.717 17.847 1.00 0.00 C ATOM 559 CG ASN A 35 2.142 -5.689 17.674 1.00 0.00 C ATOM 560 OD1 ASN A 35 1.707 -5.042 18.613 1.00 0.00 O ATOM 561 ND2 ASN A 35 1.702 -5.573 16.425 1.00 0.00 N ATOM 0 H ASN A 35 5.284 -6.020 16.544 1.00 0.00 H new ATOM 0 HA ASN A 35 4.242 -5.085 18.848 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.525 -7.139 16.877 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.910 -7.541 18.469 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.957 -4.912 16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.110 -6.145 15.685 1.00 0.00 H new ATOM 568 N SER A 36 5.322 -8.207 19.267 1.00 0.00 N ATOM 569 CA SER A 36 5.781 -9.174 20.251 1.00 0.00 C ATOM 570 C SER A 36 6.879 -8.556 21.119 1.00 0.00 C ATOM 571 O SER A 36 6.829 -8.646 22.344 1.00 0.00 O ATOM 572 CB SER A 36 6.292 -10.446 19.573 1.00 0.00 C ATOM 573 OG SER A 36 6.560 -11.483 20.515 1.00 0.00 O ATOM 0 H SER A 36 5.309 -8.549 18.306 1.00 0.00 H new ATOM 0 HA SER A 36 4.937 -9.446 20.885 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.553 -10.794 18.851 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.201 -10.219 19.015 1.00 0.00 H new ATOM 0 HG SER A 36 6.883 -12.279 20.043 1.00 0.00 H new ATOM 579 N GLY A 37 7.845 -7.944 20.448 1.00 0.00 N ATOM 580 CA GLY A 37 8.953 -7.312 21.145 1.00 0.00 C ATOM 581 C GLY A 37 8.508 -6.013 21.819 1.00 0.00 C ATOM 582 O GLY A 37 8.095 -6.022 22.978 1.00 0.00 O ATOM 0 H GLY A 37 7.883 -7.873 19.431 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.353 -7.996 21.894 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.758 -7.103 20.441 1.00 0.00 H new ATOM 586 N THR A 38 8.606 -4.929 21.065 1.00 0.00 N ATOM 587 CA THR A 38 8.218 -3.624 21.575 1.00 0.00 C ATOM 588 C THR A 38 6.923 -3.155 20.913 1.00 0.00 C ATOM 589 O THR A 38 6.901 -2.872 19.716 1.00 0.00 O ATOM 590 CB THR A 38 9.393 -2.666 21.362 1.00 0.00 C ATOM 591 OG1 THR A 38 8.982 -1.465 22.011 1.00 0.00 O ATOM 592 CG2 THR A 38 9.558 -2.260 19.896 1.00 0.00 C ATOM 0 H THR A 38 8.949 -4.927 20.104 1.00 0.00 H new ATOM 0 HA THR A 38 8.002 -3.665 22.643 1.00 0.00 H new ATOM 0 HB THR A 38 10.312 -3.133 21.715 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.686 -0.789 21.924 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.405 -1.580 19.800 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.735 -3.149 19.290 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.652 -1.761 19.552 1.00 0.00 H new ATOM 600 N GLY A 39 5.875 -3.087 21.719 1.00 0.00 N ATOM 601 CA GLY A 39 4.577 -2.658 21.225 1.00 0.00 C ATOM 602 C GLY A 39 4.373 -1.159 21.453 1.00 0.00 C ATOM 603 O GLY A 39 5.270 -0.358 21.192 1.00 0.00 O ATOM 0 H GLY A 39 5.897 -3.322 22.711 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.496 -2.882 20.161 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.789 -3.217 21.729 1.00 0.00 H new ATOM 607 N ALA A 40 3.187 -0.824 21.941 1.00 0.00 N ATOM 608 CA ALA A 40 2.853 0.565 22.209 1.00 0.00 C ATOM 609 C ALA A 40 2.920 0.821 23.716 1.00 0.00 C ATOM 610 O ALA A 40 2.050 0.374 24.462 1.00 0.00 O ATOM 611 CB ALA A 40 1.475 0.881 21.624 1.00 0.00 C ATOM 0 H ALA A 40 2.446 -1.490 22.158 1.00 0.00 H new ATOM 0 HA ALA A 40 3.571 1.231 21.730 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.225 1.923 21.825 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.490 0.713 20.547 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.728 0.233 22.082 1.00 0.00 H new ATOM 617 N LYS A 41 3.958 1.537 24.116 1.00 0.00 N ATOM 618 CA LYS A 41 4.149 1.858 25.521 1.00 0.00 C ATOM 619 C LYS A 41 2.820 2.320 26.119 1.00 0.00 C ATOM 620 O LYS A 41 1.866 2.586 25.391 1.00 0.00 O ATOM 621 CB LYS A 41 5.285 2.870 25.691 1.00 0.00 C ATOM 622 CG LYS A 41 5.802 2.877 27.130 1.00 0.00 C ATOM 623 CD LYS A 41 7.188 3.519 27.212 1.00 0.00 C ATOM 624 CE LYS A 41 7.215 4.638 28.254 1.00 0.00 C ATOM 625 NZ LYS A 41 7.728 5.890 27.658 1.00 0.00 N ATOM 0 H LYS A 41 4.677 1.905 23.493 1.00 0.00 H new ATOM 0 HA LYS A 41 4.458 0.972 26.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.100 2.625 25.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.933 3.866 25.423 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.106 3.423 27.767 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.847 1.856 27.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.929 2.761 27.468 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.465 3.919 26.237 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.212 4.800 28.648 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.844 4.345 29.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.739 6.639 28.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.694 5.736 27.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.112 6.177 26.871 1.00 0.00 H new ATOM 639 N TYR A 42 2.799 2.401 27.442 1.00 0.00 N ATOM 640 CA TYR A 42 1.602 2.826 28.147 1.00 0.00 C ATOM 641 C TYR A 42 0.498 1.773 28.037 1.00 0.00 C ATOM 642 O TYR A 42 0.023 1.258 29.050 1.00 0.00 O ATOM 643 CB TYR A 42 1.137 4.108 27.455 1.00 0.00 C ATOM 644 CG TYR A 42 0.777 5.242 28.417 1.00 0.00 C ATOM 645 CD1 TYR A 42 -0.493 5.318 28.948 1.00 0.00 C ATOM 646 CD2 TYR A 42 1.725 6.186 28.756 1.00 0.00 C ATOM 647 CE1 TYR A 42 -0.831 6.386 29.854 1.00 0.00 C ATOM 648 CE2 TYR A 42 1.388 7.253 29.662 1.00 0.00 C ATOM 649 CZ TYR A 42 0.125 7.299 30.167 1.00 0.00 C ATOM 650 OH TYR A 42 -0.193 8.307 31.024 1.00 0.00 O ATOM 0 H TYR A 42 3.592 2.179 28.044 1.00 0.00 H new ATOM 0 HA TYR A 42 1.814 2.976 29.206 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.924 4.452 26.784 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.268 3.880 26.838 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.234 4.578 28.685 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.720 6.124 28.341 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.823 6.459 30.275 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.120 7.999 29.934 1.00 0.00 H new ATOM 0 HH TYR A 42 0.589 8.883 31.156 1.00 0.00 H new ATOM 660 N THR A 43 0.121 1.483 26.801 1.00 0.00 N ATOM 661 CA THR A 43 -0.918 0.500 26.546 1.00 0.00 C ATOM 662 C THR A 43 -0.529 -0.393 25.367 1.00 0.00 C ATOM 663 O THR A 43 -0.836 -0.081 24.218 1.00 0.00 O ATOM 664 CB THR A 43 -2.236 1.249 26.332 1.00 0.00 C ATOM 665 OG1 THR A 43 -1.911 2.253 25.374 1.00 0.00 O ATOM 666 CG2 THR A 43 -2.668 2.039 27.568 1.00 0.00 C ATOM 0 H THR A 43 0.517 1.912 25.964 1.00 0.00 H new ATOM 0 HA THR A 43 -1.043 -0.172 27.395 1.00 0.00 H new ATOM 0 HB THR A 43 -3.018 0.539 26.064 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.526 1.832 24.577 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.608 2.551 27.362 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.803 1.357 28.407 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.902 2.773 27.817 1.00 0.00 H new ATOM 674 N ARG A 44 0.140 -1.489 25.693 1.00 0.00 N ATOM 675 CA ARG A 44 0.575 -2.431 24.675 1.00 0.00 C ATOM 676 C ARG A 44 -0.370 -3.633 24.627 1.00 0.00 C ATOM 677 O ARG A 44 -0.333 -4.418 23.680 1.00 0.00 O ATOM 678 CB ARG A 44 1.999 -2.921 24.949 1.00 0.00 C ATOM 679 CG ARG A 44 2.011 -3.977 26.056 1.00 0.00 C ATOM 680 CD ARG A 44 3.289 -3.879 26.893 1.00 0.00 C ATOM 681 NE ARG A 44 3.305 -2.605 27.646 1.00 0.00 N ATOM 682 CZ ARG A 44 4.200 -2.305 28.595 1.00 0.00 C ATOM 683 NH1 ARG A 44 5.159 -3.185 28.914 1.00 0.00 N ATOM 684 NH2 ARG A 44 4.138 -1.124 29.226 1.00 0.00 N ATOM 0 H ARG A 44 0.392 -1.746 26.647 1.00 0.00 H new ATOM 0 HA ARG A 44 0.560 -1.913 23.716 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.425 -3.340 24.037 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.628 -2.079 25.238 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.140 -3.846 26.698 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.935 -4.971 25.616 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.346 -4.720 27.584 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.163 -3.939 26.245 1.00 0.00 H new ATOM 0 HE ARG A 44 2.589 -1.912 27.428 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.207 -4.084 28.434 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.841 -2.956 29.637 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.409 -0.454 28.983 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.820 -0.896 29.949 1.00 0.00 H new ATOM 698 N LEU A 45 -1.194 -3.741 25.659 1.00 0.00 N ATOM 699 CA LEU A 45 -2.147 -4.834 25.745 1.00 0.00 C ATOM 700 C LEU A 45 -3.526 -4.338 25.306 1.00 0.00 C ATOM 701 O LEU A 45 -4.464 -5.125 25.189 1.00 0.00 O ATOM 702 CB LEU A 45 -2.132 -5.448 27.148 1.00 0.00 C ATOM 703 CG LEU A 45 -3.078 -4.812 28.168 1.00 0.00 C ATOM 704 CD1 LEU A 45 -2.846 -3.303 28.266 1.00 0.00 C ATOM 705 CD2 LEU A 45 -4.535 -5.149 27.848 1.00 0.00 C ATOM 0 H LEU A 45 -1.221 -3.089 26.443 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.866 -5.639 25.066 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.380 -6.506 27.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.116 -5.389 27.538 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.858 -5.235 29.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.532 -2.876 28.998 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.819 -3.112 28.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.022 -2.844 27.293 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.187 -4.685 28.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.786 -4.773 26.856 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.672 -6.230 27.871 1.00 0.00 H new ATOM 717 N ALA A 46 -3.605 -3.037 25.074 1.00 0.00 N ATOM 718 CA ALA A 46 -4.855 -2.426 24.650 1.00 0.00 C ATOM 719 C ALA A 46 -5.138 -2.811 23.197 1.00 0.00 C ATOM 720 O ALA A 46 -4.249 -3.291 22.494 1.00 0.00 O ATOM 721 CB ALA A 46 -4.776 -0.911 24.847 1.00 0.00 C ATOM 0 H ALA A 46 -2.824 -2.388 25.171 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.685 -2.790 25.256 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.713 -0.453 24.529 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.603 -0.690 25.900 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.956 -0.509 24.252 1.00 0.00 H new ATOM 727 N LYS A 47 -6.377 -2.587 22.789 1.00 0.00 N ATOM 728 CA LYS A 47 -6.788 -2.905 21.432 1.00 0.00 C ATOM 729 C LYS A 47 -5.732 -2.389 20.450 1.00 0.00 C ATOM 730 O LYS A 47 -5.353 -3.093 19.516 1.00 0.00 O ATOM 731 CB LYS A 47 -8.195 -2.368 21.158 1.00 0.00 C ATOM 732 CG LYS A 47 -9.256 -3.421 21.482 1.00 0.00 C ATOM 733 CD LYS A 47 -10.177 -2.944 22.606 1.00 0.00 C ATOM 734 CE LYS A 47 -10.144 -3.912 23.791 1.00 0.00 C ATOM 735 NZ LYS A 47 -11.091 -3.478 24.842 1.00 0.00 N ATOM 0 H LYS A 47 -7.111 -2.189 23.374 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.851 -3.985 21.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.370 -1.474 21.757 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.278 -2.073 20.112 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.845 -3.635 20.590 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.771 -4.352 21.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.871 -1.951 22.935 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.197 -2.856 22.232 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.400 -4.917 23.455 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.135 -3.961 24.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.056 -4.146 25.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.829 -2.528 25.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.055 -3.454 24.452 1.00 0.00 H new ATOM 749 N ARG A 48 -5.289 -1.166 20.698 1.00 0.00 N ATOM 750 CA ARG A 48 -4.284 -0.550 19.847 1.00 0.00 C ATOM 751 C ARG A 48 -4.880 -0.216 18.478 1.00 0.00 C ATOM 752 O ARG A 48 -5.753 -0.929 17.986 1.00 0.00 O ATOM 753 CB ARG A 48 -3.077 -1.472 19.661 1.00 0.00 C ATOM 754 CG ARG A 48 -1.823 -0.670 19.312 1.00 0.00 C ATOM 755 CD ARG A 48 -0.972 -1.407 18.275 1.00 0.00 C ATOM 756 NE ARG A 48 -0.934 -0.635 17.012 1.00 0.00 N ATOM 757 CZ ARG A 48 -0.228 -0.996 15.933 1.00 0.00 C ATOM 758 NH1 ARG A 48 0.503 -2.119 15.955 1.00 0.00 N ATOM 759 NH2 ARG A 48 -0.253 -0.236 14.830 1.00 0.00 N ATOM 0 H ARG A 48 -5.606 -0.585 21.474 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.953 0.366 20.336 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.906 -2.042 20.574 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.284 -2.193 18.870 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.109 0.308 18.925 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.235 -0.497 20.213 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.040 -1.548 18.656 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.385 -2.399 18.092 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.480 0.225 16.961 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.522 -2.699 16.794 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.041 -2.394 15.133 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.810 0.618 14.812 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.285 -0.512 14.008 1.00 0.00 H new ATOM 773 N ARG A 49 -4.383 0.868 17.900 1.00 0.00 N ATOM 774 CA ARG A 49 -4.856 1.304 16.597 1.00 0.00 C ATOM 775 C ARG A 49 -4.868 0.129 15.617 1.00 0.00 C ATOM 776 O ARG A 49 -3.937 -0.674 15.593 1.00 0.00 O ATOM 777 CB ARG A 49 -3.971 2.418 16.036 1.00 0.00 C ATOM 778 CG ARG A 49 -4.520 3.797 16.410 1.00 0.00 C ATOM 779 CD ARG A 49 -3.421 4.684 16.998 1.00 0.00 C ATOM 780 NE ARG A 49 -3.872 5.267 18.281 1.00 0.00 N ATOM 781 CZ ARG A 49 -3.253 6.276 18.907 1.00 0.00 C ATOM 782 NH1 ARG A 49 -2.153 6.822 18.372 1.00 0.00 N ATOM 783 NH2 ARG A 49 -3.733 6.739 20.069 1.00 0.00 N ATOM 0 H ARG A 49 -3.658 1.457 18.310 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.869 1.688 16.722 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.957 2.310 16.421 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.912 2.328 14.951 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.944 4.275 15.527 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.329 3.687 17.133 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.515 4.099 17.154 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.170 5.479 16.296 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.707 4.876 18.716 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.787 6.469 17.488 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.682 7.591 18.849 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.570 6.323 20.477 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.261 7.508 20.546 1.00 0.00 H new ATOM 797 N PRO A 50 -5.962 0.064 14.811 1.00 0.00 N ATOM 798 CA PRO A 50 -6.108 -0.998 13.832 1.00 0.00 C ATOM 799 C PRO A 50 -5.193 -0.763 12.628 1.00 0.00 C ATOM 800 O PRO A 50 -4.619 0.314 12.480 1.00 0.00 O ATOM 801 CB PRO A 50 -7.583 -0.996 13.467 1.00 0.00 C ATOM 802 CG PRO A 50 -8.119 0.359 13.899 1.00 0.00 C ATOM 803 CD PRO A 50 -7.085 0.998 14.813 1.00 0.00 C ATOM 0 HA PRO A 50 -5.809 -1.972 14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.720 -1.147 12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.111 -1.804 13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.304 0.991 13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.070 0.245 14.419 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.785 1.979 14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.480 1.141 15.819 1.00 0.00 H new ATOM 811 N VAL A 51 -5.086 -1.791 11.797 1.00 0.00 N ATOM 812 CA VAL A 51 -4.252 -1.711 10.611 1.00 0.00 C ATOM 813 C VAL A 51 -4.956 -2.412 9.449 1.00 0.00 C ATOM 814 O VAL A 51 -4.722 -3.595 9.200 1.00 0.00 O ATOM 815 CB VAL A 51 -2.865 -2.287 10.907 1.00 0.00 C ATOM 816 CG1 VAL A 51 -2.038 -1.317 11.752 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.973 -3.653 11.588 1.00 0.00 C ATOM 0 H VAL A 51 -5.564 -2.683 11.923 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.102 -0.672 10.319 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.350 -2.426 9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.057 -1.750 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.918 -0.377 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.548 -1.132 12.697 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.974 -4.040 11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.516 -3.549 12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.506 -4.344 10.935 1.00 0.00 H new ATOM 827 N ILE A 52 -5.803 -1.656 8.767 1.00 0.00 N ATOM 828 CA ILE A 52 -6.542 -2.192 7.638 1.00 0.00 C ATOM 829 C ILE A 52 -5.918 -1.681 6.338 1.00 0.00 C ATOM 830 O ILE A 52 -5.399 -0.567 6.290 1.00 0.00 O ATOM 831 CB ILE A 52 -8.033 -1.871 7.772 1.00 0.00 C ATOM 832 CG1 ILE A 52 -8.393 -0.603 6.997 1.00 0.00 C ATOM 833 CG2 ILE A 52 -8.443 -1.780 9.243 1.00 0.00 C ATOM 834 CD1 ILE A 52 -9.900 -0.342 7.041 1.00 0.00 C ATOM 0 H ILE A 52 -5.994 -0.676 8.975 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.474 -3.280 7.620 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.600 -2.690 7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.860 0.249 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.067 -0.701 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.507 -1.551 9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.245 -2.732 9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.870 -0.992 9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.129 0.566 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.428 -1.185 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.218 -0.220 8.076 1.00 0.00 H new ATOM 846 N MET A 53 -5.991 -2.519 5.314 1.00 0.00 N ATOM 847 CA MET A 53 -5.439 -2.166 4.016 1.00 0.00 C ATOM 848 C MET A 53 -6.524 -2.180 2.937 1.00 0.00 C ATOM 849 O MET A 53 -7.282 -3.143 2.826 1.00 0.00 O ATOM 850 CB MET A 53 -4.336 -3.157 3.644 1.00 0.00 C ATOM 851 CG MET A 53 -4.853 -4.597 3.687 1.00 0.00 C ATOM 852 SD MET A 53 -4.241 -5.422 5.146 1.00 0.00 S ATOM 853 CE MET A 53 -2.489 -5.397 4.805 1.00 0.00 C ATOM 0 H MET A 53 -6.424 -3.442 5.357 1.00 0.00 H new ATOM 0 HA MET A 53 -5.028 -1.158 4.078 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.961 -2.931 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.497 -3.048 4.331 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.943 -4.601 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.533 -5.134 2.794 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.016 -6.265 5.265 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.328 -5.425 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.052 -4.486 5.214 1.00 0.00 H new ATOM 863 N ILE A 54 -6.564 -1.102 2.170 1.00 0.00 N ATOM 864 CA ILE A 54 -7.544 -0.978 1.103 1.00 0.00 C ATOM 865 C ILE A 54 -6.818 -0.828 -0.235 1.00 0.00 C ATOM 866 O ILE A 54 -7.444 -0.871 -1.293 1.00 0.00 O ATOM 867 CB ILE A 54 -8.523 0.159 1.404 1.00 0.00 C ATOM 868 CG1 ILE A 54 -7.811 1.514 1.384 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.256 -0.084 2.724 1.00 0.00 C ATOM 870 CD1 ILE A 54 -7.187 1.826 2.745 1.00 0.00 C ATOM 0 H ILE A 54 -5.934 -0.305 2.265 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.152 -1.880 1.036 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.277 0.179 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.036 1.510 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.520 2.297 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.945 0.739 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.814 -1.018 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.532 -0.146 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.688 2.794 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.967 1.853 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.461 1.054 2.998 1.00 0.00 H new ATOM 882 N HIS A 55 -5.507 -0.654 -0.145 1.00 0.00 N ATOM 883 CA HIS A 55 -4.689 -0.496 -1.335 1.00 0.00 C ATOM 884 C HIS A 55 -3.719 -1.675 -1.451 1.00 0.00 C ATOM 885 O HIS A 55 -2.663 -1.676 -0.821 1.00 0.00 O ATOM 886 CB HIS A 55 -3.979 0.859 -1.332 1.00 0.00 C ATOM 887 CG HIS A 55 -4.187 1.664 -2.593 1.00 0.00 C ATOM 888 ND1 HIS A 55 -4.981 2.797 -2.636 1.00 0.00 N ATOM 889 CD2 HIS A 55 -3.695 1.489 -3.853 1.00 0.00 C ATOM 890 CE1 HIS A 55 -4.961 3.273 -3.872 1.00 0.00 C ATOM 891 NE2 HIS A 55 -4.164 2.461 -4.625 1.00 0.00 N ATOM 0 H HIS A 55 -4.991 -0.619 0.734 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.324 -0.504 -2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.331 1.440 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.911 0.698 -1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.036 0.694 -4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.484 4.150 -4.222 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.962 2.581 -5.618 1.00 0.00 H new ATOM 899 N THR A 56 -4.113 -2.647 -2.259 1.00 0.00 N ATOM 900 CA THR A 56 -3.291 -3.827 -2.465 1.00 0.00 C ATOM 901 C THR A 56 -2.524 -3.720 -3.785 1.00 0.00 C ATOM 902 O THR A 56 -3.126 -3.555 -4.845 1.00 0.00 O ATOM 903 CB THR A 56 -4.200 -5.055 -2.390 1.00 0.00 C ATOM 904 OG1 THR A 56 -5.379 -4.658 -3.085 1.00 0.00 O ATOM 905 CG2 THR A 56 -4.686 -5.338 -0.967 1.00 0.00 C ATOM 0 H THR A 56 -4.990 -2.642 -2.779 1.00 0.00 H new ATOM 0 HA THR A 56 -2.530 -3.919 -1.690 1.00 0.00 H new ATOM 0 HB THR A 56 -3.666 -5.925 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.131 -4.220 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.327 -6.219 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.828 -5.516 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.249 -4.481 -0.598 1.00 0.00 H new ATOM 913 N GLU A 57 -1.207 -3.818 -3.677 1.00 0.00 N ATOM 914 CA GLU A 57 -0.352 -3.734 -4.847 1.00 0.00 C ATOM 915 C GLU A 57 0.791 -4.745 -4.744 1.00 0.00 C ATOM 916 O GLU A 57 1.248 -5.060 -3.645 1.00 0.00 O ATOM 917 CB GLU A 57 0.189 -2.314 -5.031 1.00 0.00 C ATOM 918 CG GLU A 57 -0.466 -1.630 -6.234 1.00 0.00 C ATOM 919 CD GLU A 57 0.113 -2.158 -7.547 1.00 0.00 C ATOM 920 OE1 GLU A 57 0.147 -3.399 -7.694 1.00 0.00 O ATOM 921 OE2 GLU A 57 0.509 -1.309 -8.374 1.00 0.00 O ATOM 0 H GLU A 57 -0.712 -3.955 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.949 -3.978 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.002 -1.730 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.269 -2.348 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.542 -1.801 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.313 -0.553 -6.172 1.00 0.00 H new ATOM 928 N LYS A 58 1.220 -5.226 -5.902 1.00 0.00 N ATOM 929 CA LYS A 58 2.301 -6.195 -5.955 1.00 0.00 C ATOM 930 C LYS A 58 3.363 -5.715 -6.947 1.00 0.00 C ATOM 931 O LYS A 58 3.063 -4.947 -7.859 1.00 0.00 O ATOM 932 CB LYS A 58 1.755 -7.590 -6.266 1.00 0.00 C ATOM 933 CG LYS A 58 1.265 -7.677 -7.713 1.00 0.00 C ATOM 934 CD LYS A 58 -0.254 -7.506 -7.789 1.00 0.00 C ATOM 935 CE LYS A 58 -0.683 -7.020 -9.175 1.00 0.00 C ATOM 936 NZ LYS A 58 -0.162 -5.659 -9.433 1.00 0.00 N ATOM 0 H LYS A 58 0.838 -4.963 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 58 2.787 -6.277 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.532 -8.335 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.936 -7.824 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.752 -6.907 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.548 -8.639 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.742 -8.455 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.581 -6.793 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.315 -7.707 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.771 -7.018 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.777 -5.176 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.144 -5.120 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.802 -5.723 -9.818 1.00 0.00 H new ATOM 950 N PHE A 59 4.582 -6.189 -6.734 1.00 0.00 N ATOM 951 CA PHE A 59 5.690 -5.817 -7.597 1.00 0.00 C ATOM 952 C PHE A 59 6.887 -6.745 -7.383 1.00 0.00 C ATOM 953 O PHE A 59 7.257 -7.033 -6.247 1.00 0.00 O ATOM 954 CB PHE A 59 6.092 -4.389 -7.220 1.00 0.00 C ATOM 955 CG PHE A 59 5.173 -3.311 -7.796 1.00 0.00 C ATOM 956 CD1 PHE A 59 5.265 -2.968 -9.108 1.00 0.00 C ATOM 957 CD2 PHE A 59 4.263 -2.695 -6.995 1.00 0.00 C ATOM 958 CE1 PHE A 59 4.413 -1.966 -9.643 1.00 0.00 C ATOM 959 CE2 PHE A 59 3.409 -1.694 -7.530 1.00 0.00 C ATOM 960 CZ PHE A 59 3.501 -1.351 -8.843 1.00 0.00 C ATOM 0 H PHE A 59 4.826 -6.827 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 59 5.389 -5.892 -8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.102 -4.300 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.110 -4.206 -7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.987 -3.458 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.190 -2.967 -5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.489 -1.692 -10.685 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.686 -1.205 -6.894 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.850 -0.591 -9.250 1.00 0.00 H new ATOM 970 N GLU A 60 7.459 -7.187 -8.495 1.00 0.00 N ATOM 971 CA GLU A 60 8.606 -8.077 -8.443 1.00 0.00 C ATOM 972 C GLU A 60 9.876 -7.329 -8.851 1.00 0.00 C ATOM 973 O GLU A 60 10.985 -7.769 -8.549 1.00 0.00 O ATOM 974 CB GLU A 60 8.387 -9.307 -9.326 1.00 0.00 C ATOM 975 CG GLU A 60 8.560 -8.958 -10.805 1.00 0.00 C ATOM 976 CD GLU A 60 7.938 -10.033 -11.699 1.00 0.00 C ATOM 977 OE1 GLU A 60 8.494 -11.153 -11.711 1.00 0.00 O ATOM 978 OE2 GLU A 60 6.921 -9.711 -12.349 1.00 0.00 O ATOM 0 H GLU A 60 7.149 -6.945 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 60 8.725 -8.424 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.094 -10.089 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.387 -9.707 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.095 -7.994 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.620 -8.856 -11.037 1.00 0.00 H new ATOM 985 N THR A 61 9.674 -6.211 -9.532 1.00 0.00 N ATOM 986 CA THR A 61 10.790 -5.397 -9.985 1.00 0.00 C ATOM 987 C THR A 61 10.869 -4.102 -9.175 1.00 0.00 C ATOM 988 O THR A 61 9.844 -3.547 -8.783 1.00 0.00 O ATOM 989 CB THR A 61 10.624 -5.164 -11.489 1.00 0.00 C ATOM 990 OG1 THR A 61 9.353 -4.531 -11.604 1.00 0.00 O ATOM 991 CG2 THR A 61 10.463 -6.469 -12.270 1.00 0.00 C ATOM 0 H THR A 61 8.754 -5.849 -9.781 1.00 0.00 H new ATOM 0 HA THR A 61 11.741 -5.903 -9.822 1.00 0.00 H new ATOM 0 HB THR A 61 11.488 -4.619 -11.869 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.695 -5.177 -11.935 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.349 -6.246 -13.331 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.345 -7.092 -12.123 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.580 -7.000 -11.914 1.00 0.00 H new ATOM 999 N ARG A 62 12.096 -3.658 -8.948 1.00 0.00 N ATOM 1000 CA ARG A 62 12.324 -2.438 -8.190 1.00 0.00 C ATOM 1001 C ARG A 62 11.920 -1.217 -9.018 1.00 0.00 C ATOM 1002 O ARG A 62 11.286 -0.297 -8.504 1.00 0.00 O ATOM 1003 CB ARG A 62 13.793 -2.310 -7.783 1.00 0.00 C ATOM 1004 CG ARG A 62 13.956 -1.313 -6.632 1.00 0.00 C ATOM 1005 CD ARG A 62 14.707 -0.063 -7.093 1.00 0.00 C ATOM 1006 NE ARG A 62 16.128 -0.146 -6.685 1.00 0.00 N ATOM 1007 CZ ARG A 62 16.964 0.901 -6.657 1.00 0.00 C ATOM 1008 NH1 ARG A 62 16.528 2.117 -7.012 1.00 0.00 N ATOM 1009 NH2 ARG A 62 18.236 0.732 -6.272 1.00 0.00 N ATOM 0 H ARG A 62 12.944 -4.121 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 62 11.713 -2.487 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.178 -3.285 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.385 -1.984 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.975 -1.032 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.496 -1.785 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.636 0.035 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.248 0.827 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 62 16.493 -1.057 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.559 2.246 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.165 2.913 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.568 -0.193 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.873 1.529 -6.251 1.00 0.00 H new ATOM 1023 N SER A 63 12.306 -1.249 -10.286 1.00 0.00 N ATOM 1024 CA SER A 63 11.992 -0.155 -11.190 1.00 0.00 C ATOM 1025 C SER A 63 10.498 0.163 -11.128 1.00 0.00 C ATOM 1026 O SER A 63 10.102 1.326 -11.202 1.00 0.00 O ATOM 1027 CB SER A 63 12.406 -0.491 -12.625 1.00 0.00 C ATOM 1028 OG SER A 63 13.726 -0.045 -12.918 1.00 0.00 O ATOM 0 H SER A 63 12.832 -2.014 -10.708 1.00 0.00 H new ATOM 0 HA SER A 63 12.556 0.723 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.345 -1.569 -12.777 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.705 -0.031 -13.322 1.00 0.00 H new ATOM 0 HG SER A 63 13.953 -0.280 -13.842 1.00 0.00 H new ATOM 1034 N GLU A 64 9.705 -0.890 -10.993 1.00 0.00 N ATOM 1035 CA GLU A 64 8.263 -0.738 -10.920 1.00 0.00 C ATOM 1036 C GLU A 64 7.837 -0.382 -9.495 1.00 0.00 C ATOM 1037 O GLU A 64 7.048 0.540 -9.290 1.00 0.00 O ATOM 1038 CB GLU A 64 7.553 -2.004 -11.405 1.00 0.00 C ATOM 1039 CG GLU A 64 7.711 -2.177 -12.916 1.00 0.00 C ATOM 1040 CD GLU A 64 7.137 -3.519 -13.377 1.00 0.00 C ATOM 1041 OE1 GLU A 64 6.038 -3.863 -12.891 1.00 0.00 O ATOM 1042 OE2 GLU A 64 7.809 -4.170 -14.206 1.00 0.00 O ATOM 0 H GLU A 64 10.035 -1.853 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 64 7.970 0.079 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.962 -2.874 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.494 -1.952 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.204 -1.363 -13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.766 -2.117 -13.184 1.00 0.00 H new ATOM 1049 N ALA A 65 8.379 -1.129 -8.546 1.00 0.00 N ATOM 1050 CA ALA A 65 8.066 -0.904 -7.144 1.00 0.00 C ATOM 1051 C ALA A 65 8.352 0.557 -6.792 1.00 0.00 C ATOM 1052 O ALA A 65 7.558 1.200 -6.107 1.00 0.00 O ATOM 1053 CB ALA A 65 8.866 -1.880 -6.279 1.00 0.00 C ATOM 0 H ALA A 65 9.034 -1.892 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 65 7.009 -1.089 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.631 -1.711 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.606 -2.903 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.932 -1.722 -6.443 1.00 0.00 H new ATOM 1059 N THR A 66 9.488 1.038 -7.274 1.00 0.00 N ATOM 1060 CA THR A 66 9.887 2.412 -7.019 1.00 0.00 C ATOM 1061 C THR A 66 9.009 3.380 -7.811 1.00 0.00 C ATOM 1062 O THR A 66 8.585 4.410 -7.290 1.00 0.00 O ATOM 1063 CB THR A 66 11.378 2.538 -7.342 1.00 0.00 C ATOM 1064 OG1 THR A 66 11.741 3.812 -6.814 1.00 0.00 O ATOM 1065 CG2 THR A 66 11.642 2.667 -8.843 1.00 0.00 C ATOM 0 H THR A 66 10.145 0.501 -7.840 1.00 0.00 H new ATOM 0 HA THR A 66 9.742 2.678 -5.972 1.00 0.00 H new ATOM 0 HB THR A 66 11.909 1.669 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.693 3.975 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.714 2.753 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.261 1.785 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.139 3.555 -9.226 1.00 0.00 H new ATOM 1073 N LYS A 67 8.761 3.015 -9.061 1.00 0.00 N ATOM 1074 CA LYS A 67 7.940 3.838 -9.932 1.00 0.00 C ATOM 1075 C LYS A 67 6.554 4.011 -9.308 1.00 0.00 C ATOM 1076 O LYS A 67 6.095 5.134 -9.107 1.00 0.00 O ATOM 1077 CB LYS A 67 7.908 3.256 -11.347 1.00 0.00 C ATOM 1078 CG LYS A 67 6.934 4.031 -12.237 1.00 0.00 C ATOM 1079 CD LYS A 67 6.175 3.085 -13.170 1.00 0.00 C ATOM 1080 CE LYS A 67 4.755 2.833 -12.658 1.00 0.00 C ATOM 1081 NZ LYS A 67 3.789 3.706 -13.362 1.00 0.00 N ATOM 0 H LYS A 67 9.115 2.160 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 67 8.372 4.834 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.908 3.289 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.613 2.207 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.227 4.581 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.481 4.768 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.134 3.512 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.710 2.139 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.487 1.787 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.710 3.021 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.830 3.523 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.036 4.702 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.821 3.507 -14.382 1.00 0.00 H new ATOM 1095 N ALA A 68 5.927 2.881 -9.018 1.00 0.00 N ATOM 1096 CA ALA A 68 4.602 2.893 -8.419 1.00 0.00 C ATOM 1097 C ALA A 68 4.601 3.833 -7.212 1.00 0.00 C ATOM 1098 O ALA A 68 3.654 4.591 -7.012 1.00 0.00 O ATOM 1099 CB ALA A 68 4.196 1.465 -8.048 1.00 0.00 C ATOM 0 H ALA A 68 6.311 1.951 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 68 3.864 3.267 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.203 1.474 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.183 0.846 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.913 1.057 -7.335 1.00 0.00 H new ATOM 1105 N GLU A 69 5.673 3.750 -6.438 1.00 0.00 N ATOM 1106 CA GLU A 69 5.808 4.584 -5.256 1.00 0.00 C ATOM 1107 C GLU A 69 5.773 6.064 -5.642 1.00 0.00 C ATOM 1108 O GLU A 69 4.967 6.828 -5.112 1.00 0.00 O ATOM 1109 CB GLU A 69 7.090 4.248 -4.491 1.00 0.00 C ATOM 1110 CG GLU A 69 6.997 4.707 -3.036 1.00 0.00 C ATOM 1111 CD GLU A 69 7.632 6.087 -2.854 1.00 0.00 C ATOM 1112 OE1 GLU A 69 7.613 6.855 -3.840 1.00 0.00 O ATOM 1113 OE2 GLU A 69 8.123 6.344 -1.732 1.00 0.00 O ATOM 0 H GLU A 69 6.456 3.118 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 69 4.965 4.381 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.267 3.173 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.942 4.728 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.952 4.740 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.497 3.985 -2.391 1.00 0.00 H new ATOM 1120 N ALA A 70 6.655 6.424 -6.561 1.00 0.00 N ATOM 1121 CA ALA A 70 6.735 7.798 -7.025 1.00 0.00 C ATOM 1122 C ALA A 70 5.330 8.299 -7.364 1.00 0.00 C ATOM 1123 O ALA A 70 4.914 9.359 -6.895 1.00 0.00 O ATOM 1124 CB ALA A 70 7.687 7.881 -8.221 1.00 0.00 C ATOM 0 H ALA A 70 7.322 5.787 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 70 7.137 8.443 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.746 8.913 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.678 7.542 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.315 7.248 -9.027 1.00 0.00 H new ATOM 1130 N ALA A 71 4.635 7.516 -8.176 1.00 0.00 N ATOM 1131 CA ALA A 71 3.285 7.866 -8.583 1.00 0.00 C ATOM 1132 C ALA A 71 2.419 8.072 -7.339 1.00 0.00 C ATOM 1133 O ALA A 71 1.783 9.113 -7.186 1.00 0.00 O ATOM 1134 CB ALA A 71 2.732 6.779 -9.505 1.00 0.00 C ATOM 0 H ALA A 71 4.982 6.639 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 71 3.283 8.801 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.719 7.042 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.366 6.693 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.716 5.826 -8.976 1.00 0.00 H new ATOM 1140 N PHE A 72 2.423 7.062 -6.482 1.00 0.00 N ATOM 1141 CA PHE A 72 1.646 7.119 -5.255 1.00 0.00 C ATOM 1142 C PHE A 72 2.059 8.318 -4.398 1.00 0.00 C ATOM 1143 O PHE A 72 1.329 8.720 -3.493 1.00 0.00 O ATOM 1144 CB PHE A 72 1.936 5.832 -4.481 1.00 0.00 C ATOM 1145 CG PHE A 72 1.592 5.908 -2.992 1.00 0.00 C ATOM 1146 CD1 PHE A 72 2.398 6.603 -2.143 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.482 5.284 -2.517 1.00 0.00 C ATOM 1148 CE1 PHE A 72 2.079 6.675 -0.762 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.163 5.356 -1.135 1.00 0.00 C ATOM 1150 CZ PHE A 72 0.968 6.051 -0.286 1.00 0.00 C ATOM 0 H PHE A 72 2.952 6.200 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 72 0.587 7.223 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.373 5.015 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.993 5.587 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.280 7.099 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.158 4.733 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.719 7.226 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.719 4.859 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.725 6.107 0.765 1.00 0.00 H new ATOM 1160 N LYS A 73 3.226 8.858 -4.716 1.00 0.00 N ATOM 1161 CA LYS A 73 3.745 10.003 -3.987 1.00 0.00 C ATOM 1162 C LYS A 73 3.181 11.287 -4.598 1.00 0.00 C ATOM 1163 O LYS A 73 3.177 12.335 -3.953 1.00 0.00 O ATOM 1164 CB LYS A 73 5.274 9.962 -3.943 1.00 0.00 C ATOM 1165 CG LYS A 73 5.806 10.694 -2.710 1.00 0.00 C ATOM 1166 CD LYS A 73 7.332 10.813 -2.759 1.00 0.00 C ATOM 1167 CE LYS A 73 7.944 10.559 -1.379 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.087 11.830 -0.634 1.00 0.00 N ATOM 0 H LYS A 73 3.827 8.524 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 73 3.419 9.974 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.613 8.926 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.680 10.419 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.362 11.688 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.508 10.159 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.734 10.098 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.612 11.807 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.314 9.870 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.919 10.083 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.504 11.640 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.706 12.476 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.152 12.269 -0.513 1.00 0.00 H new ATOM 1182 N LYS A 74 2.718 11.165 -5.833 1.00 0.00 N ATOM 1183 CA LYS A 74 2.153 12.303 -6.537 1.00 0.00 C ATOM 1184 C LYS A 74 0.637 12.321 -6.333 1.00 0.00 C ATOM 1185 O LYS A 74 0.035 13.387 -6.222 1.00 0.00 O ATOM 1186 CB LYS A 74 2.577 12.288 -8.007 1.00 0.00 C ATOM 1187 CG LYS A 74 3.823 13.148 -8.227 1.00 0.00 C ATOM 1188 CD LYS A 74 4.468 12.843 -9.581 1.00 0.00 C ATOM 1189 CE LYS A 74 5.865 12.248 -9.399 1.00 0.00 C ATOM 1190 NZ LYS A 74 6.693 12.493 -10.602 1.00 0.00 N ATOM 0 H LYS A 74 2.723 10.294 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 74 2.541 13.236 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.778 11.264 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.761 12.658 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.554 14.203 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.542 12.964 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.841 12.146 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.532 13.757 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.344 12.689 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.789 11.176 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.638 12.083 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.243 12.052 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.780 13.517 -10.761 1.00 0.00 H new ATOM 1204 N LEU A 75 0.063 11.128 -6.293 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.372 10.993 -6.106 1.00 0.00 C ATOM 1206 C LEU A 75 -1.764 11.592 -4.754 1.00 0.00 C ATOM 1207 O LEU A 75 -0.903 11.859 -3.916 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.800 9.535 -6.280 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.428 8.880 -7.611 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.897 7.423 -7.656 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -1.965 9.692 -8.791 1.00 0.00 C ATOM 0 H LEU A 75 0.566 10.245 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.910 11.552 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.359 8.949 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.882 9.478 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.341 8.871 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.620 6.981 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.425 6.864 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.980 7.386 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.686 9.204 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.051 9.756 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.541 10.696 -8.765 1.00 0.00 H new ATOM 1223 N THR A 76 -3.063 11.787 -4.583 1.00 0.00 N ATOM 1224 CA THR A 76 -3.579 12.350 -3.347 1.00 0.00 C ATOM 1225 C THR A 76 -4.825 11.586 -2.892 1.00 0.00 C ATOM 1226 O THR A 76 -5.162 10.548 -3.459 1.00 0.00 O ATOM 1227 CB THR A 76 -3.831 13.841 -3.576 1.00 0.00 C ATOM 1228 OG1 THR A 76 -4.348 14.301 -2.330 1.00 0.00 O ATOM 1229 CG2 THR A 76 -4.966 14.099 -4.570 1.00 0.00 C ATOM 0 H THR A 76 -3.774 11.565 -5.280 1.00 0.00 H new ATOM 0 HA THR A 76 -2.859 12.248 -2.535 1.00 0.00 H new ATOM 0 HB THR A 76 -2.918 14.311 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.716 14.084 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.103 15.173 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.717 13.650 -5.531 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.888 13.658 -4.192 1.00 0.00 H new ATOM 1237 N ARG A 77 -5.475 12.130 -1.874 1.00 0.00 N ATOM 1238 CA ARG A 77 -6.676 11.514 -1.337 1.00 0.00 C ATOM 1239 C ARG A 77 -7.696 11.280 -2.451 1.00 0.00 C ATOM 1240 O ARG A 77 -8.620 10.483 -2.296 1.00 0.00 O ATOM 1241 CB ARG A 77 -7.305 12.388 -0.252 1.00 0.00 C ATOM 1242 CG ARG A 77 -7.977 13.621 -0.862 1.00 0.00 C ATOM 1243 CD ARG A 77 -7.574 14.892 -0.112 1.00 0.00 C ATOM 1244 NE ARG A 77 -8.583 15.952 -0.335 1.00 0.00 N ATOM 1245 CZ ARG A 77 -8.410 17.237 0.001 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -7.266 17.630 0.577 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -9.380 18.130 -0.238 1.00 0.00 N ATOM 0 H ARG A 77 -5.192 12.991 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.390 10.559 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.040 11.808 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.539 12.701 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.698 13.710 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.060 13.503 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.484 14.682 0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.596 15.231 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.466 15.687 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.527 16.951 0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.134 18.608 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.251 17.831 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.247 19.108 0.018 1.00 0.00 H new ATOM 1261 N LYS A 78 -7.495 11.991 -3.552 1.00 0.00 N ATOM 1262 CA LYS A 78 -8.387 11.871 -4.693 1.00 0.00 C ATOM 1263 C LYS A 78 -7.952 10.683 -5.553 1.00 0.00 C ATOM 1264 O LYS A 78 -8.587 9.630 -5.532 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.457 13.192 -5.461 1.00 0.00 C ATOM 1266 CG LYS A 78 -9.879 13.757 -5.453 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.824 12.872 -6.269 1.00 0.00 C ATOM 1268 CE LYS A 78 -12.266 13.016 -5.781 1.00 0.00 C ATOM 1269 NZ LYS A 78 -12.813 11.697 -5.388 1.00 0.00 N ATOM 0 H LYS A 78 -6.728 12.652 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.405 11.668 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.773 13.913 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.129 13.037 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.239 13.831 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.875 14.767 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.764 13.144 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.512 11.831 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.303 13.699 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.881 13.452 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.793 11.812 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.795 11.056 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.235 11.296 -4.622 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.870 10.891 -6.290 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.342 9.852 -7.157 1.00 0.00 C ATOM 1285 C GLN A 79 -6.374 8.499 -6.441 1.00 0.00 C ATOM 1286 O GLN A 79 -6.912 7.527 -6.969 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.925 10.192 -7.623 1.00 0.00 C ATOM 1288 CG GLN A 79 -4.932 10.721 -9.058 1.00 0.00 C ATOM 1289 CD GLN A 79 -4.705 12.234 -9.086 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -3.616 12.728 -8.847 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -5.791 12.938 -9.391 1.00 0.00 N ATOM 0 H GLN A 79 -6.345 11.765 -6.304 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.974 9.789 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.489 10.938 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.295 9.304 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.155 10.222 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.884 10.484 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.672 12.460 -9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.743 13.956 -9.436 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.790 8.482 -5.251 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.746 7.264 -4.460 1.00 0.00 C ATOM 1302 C LYS A 80 -7.164 6.717 -4.290 1.00 0.00 C ATOM 1303 O LYS A 80 -7.411 5.537 -4.527 1.00 0.00 O ATOM 1304 CB LYS A 80 -5.019 7.513 -3.135 1.00 0.00 C ATOM 1305 CG LYS A 80 -3.502 7.490 -3.330 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.841 8.677 -2.623 1.00 0.00 C ATOM 1307 CE LYS A 80 -1.317 8.590 -2.716 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.698 8.927 -1.414 1.00 0.00 N ATOM 0 H LYS A 80 -5.345 9.290 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.169 6.496 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.322 8.476 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.308 6.753 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.095 6.557 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.268 7.519 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.184 9.609 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.145 8.697 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.022 7.585 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.954 9.272 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.036 9.650 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.426 9.295 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.269 8.074 -1.002 1.00 0.00 H new ATOM 1322 N GLU A 81 -8.059 7.604 -3.880 1.00 0.00 N ATOM 1323 CA GLU A 81 -9.448 7.225 -3.676 1.00 0.00 C ATOM 1324 C GLU A 81 -10.050 6.695 -4.978 1.00 0.00 C ATOM 1325 O GLU A 81 -11.054 5.985 -4.958 1.00 0.00 O ATOM 1326 CB GLU A 81 -10.263 8.401 -3.133 1.00 0.00 C ATOM 1327 CG GLU A 81 -11.745 8.039 -3.027 1.00 0.00 C ATOM 1328 CD GLU A 81 -12.428 8.845 -1.921 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -11.860 8.877 -0.809 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -13.505 9.411 -2.215 1.00 0.00 O ATOM 0 H GLU A 81 -7.850 8.583 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.482 6.428 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.884 8.688 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.142 9.265 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.239 8.231 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.849 6.973 -2.823 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.413 7.062 -6.080 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.874 6.634 -7.391 1.00 0.00 C ATOM 1339 C GLN A 82 -9.587 5.144 -7.592 1.00 0.00 C ATOM 1340 O GLN A 82 -10.438 4.406 -8.086 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.232 7.470 -8.498 1.00 0.00 C ATOM 1342 CG GLN A 82 -10.284 7.954 -9.499 1.00 0.00 C ATOM 1343 CD GLN A 82 -11.107 9.105 -8.914 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -10.696 10.252 -8.904 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.290 8.733 -8.433 1.00 0.00 N ATOM 0 H GLN A 82 -8.581 7.651 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.952 6.788 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.719 8.327 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.478 6.877 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.795 8.281 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.944 7.129 -9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.572 7.754 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.915 9.427 -8.024 1.00 0.00 H new ATOM 1354 N TYR A 83 -8.386 4.747 -7.198 1.00 0.00 N ATOM 1355 CA TYR A 83 -7.976 3.359 -7.330 1.00 0.00 C ATOM 1356 C TYR A 83 -8.841 2.447 -6.456 1.00 0.00 C ATOM 1357 O TYR A 83 -9.141 1.317 -6.840 1.00 0.00 O ATOM 1358 CB TYR A 83 -6.530 3.297 -6.836 1.00 0.00 C ATOM 1359 CG TYR A 83 -6.062 1.892 -6.455 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -6.556 1.283 -5.320 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -5.144 1.232 -7.248 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -6.116 -0.041 -4.963 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -4.703 -0.091 -6.890 1.00 0.00 C ATOM 1364 CZ TYR A 83 -5.210 -0.662 -5.765 1.00 0.00 C ATOM 1365 OH TYR A 83 -4.794 -1.913 -5.427 1.00 0.00 O ATOM 0 H TYR A 83 -7.684 5.362 -6.787 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.079 3.025 -8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.874 3.689 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.424 3.951 -5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.273 1.799 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.757 1.708 -8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.497 -0.530 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.986 -0.618 -7.501 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.815 -1.932 -5.386 1.00 0.00 H new ATOM 1375 N LEU A 84 -9.217 2.971 -5.300 1.00 0.00 N ATOM 1376 CA LEU A 84 -10.040 2.219 -4.369 1.00 0.00 C ATOM 1377 C LEU A 84 -11.366 1.861 -5.043 1.00 0.00 C ATOM 1378 O LEU A 84 -11.758 0.694 -5.070 1.00 0.00 O ATOM 1379 CB LEU A 84 -10.206 2.990 -3.057 1.00 0.00 C ATOM 1380 CG LEU A 84 -9.105 2.782 -2.014 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -8.754 1.299 -1.873 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -7.876 3.633 -2.338 1.00 0.00 C ATOM 0 H LEU A 84 -8.967 3.909 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.553 1.281 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.264 4.054 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.160 2.708 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.483 3.116 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.969 1.180 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.639 0.744 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.404 0.915 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.109 3.467 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.487 3.353 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.155 4.687 -2.346 1.00 0.00 H new ATOM 1394 N LYS A 85 -12.020 2.885 -5.571 1.00 0.00 N ATOM 1395 CA LYS A 85 -13.294 2.691 -6.244 1.00 0.00 C ATOM 1396 C LYS A 85 -13.077 1.860 -7.510 1.00 0.00 C ATOM 1397 O LYS A 85 -13.561 0.735 -7.609 1.00 0.00 O ATOM 1398 CB LYS A 85 -13.973 4.038 -6.500 1.00 0.00 C ATOM 1399 CG LYS A 85 -15.402 4.046 -5.950 1.00 0.00 C ATOM 1400 CD LYS A 85 -16.282 5.028 -6.725 1.00 0.00 C ATOM 1401 CE LYS A 85 -16.856 4.376 -7.984 1.00 0.00 C ATOM 1402 NZ LYS A 85 -18.262 4.788 -8.188 1.00 0.00 N ATOM 0 H LYS A 85 -11.692 3.851 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.979 2.129 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.395 4.835 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.990 4.243 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.826 3.044 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.388 4.319 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.096 5.374 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.698 5.906 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.259 4.659 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.798 3.291 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.635 4.336 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.832 4.497 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.309 5.822 -8.293 1.00 0.00 H new ATOM 1416 N THR A 86 -12.347 2.449 -8.446 1.00 0.00 N ATOM 1417 CA THR A 86 -12.060 1.777 -9.702 1.00 0.00 C ATOM 1418 C THR A 86 -11.775 0.294 -9.461 1.00 0.00 C ATOM 1419 O THR A 86 -12.104 -0.550 -10.293 1.00 0.00 O ATOM 1420 CB THR A 86 -10.903 2.515 -10.380 1.00 0.00 C ATOM 1421 OG1 THR A 86 -11.129 2.311 -11.772 1.00 0.00 O ATOM 1422 CG2 THR A 86 -9.551 1.848 -10.120 1.00 0.00 C ATOM 0 H THR A 86 -11.946 3.383 -8.360 1.00 0.00 H new ATOM 0 HA THR A 86 -12.920 1.806 -10.371 1.00 0.00 H new ATOM 0 HB THR A 86 -10.873 3.546 -10.026 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.425 2.758 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.765 2.411 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.355 1.829 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.569 0.828 -10.503 1.00 0.00 H new ATOM 1430 N PHE A 87 -11.166 0.019 -8.317 1.00 0.00 N ATOM 1431 CA PHE A 87 -10.832 -1.348 -7.955 1.00 0.00 C ATOM 1432 C PHE A 87 -12.027 -2.049 -7.303 1.00 0.00 C ATOM 1433 O PHE A 87 -12.386 -3.160 -7.693 1.00 0.00 O ATOM 1434 CB PHE A 87 -9.686 -1.276 -6.944 1.00 0.00 C ATOM 1435 CG PHE A 87 -9.262 -2.637 -6.388 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -9.949 -3.194 -5.355 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -8.196 -3.289 -6.925 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -9.556 -4.457 -4.838 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -7.802 -4.552 -6.408 1.00 0.00 C ATOM 1440 CZ PHE A 87 -8.491 -5.109 -5.376 1.00 0.00 C ATOM 0 H PHE A 87 -10.895 0.720 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.554 -1.912 -8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.825 -0.804 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.985 -0.634 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.794 -2.675 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.649 -2.846 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.103 -4.899 -4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.956 -5.070 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.192 -6.070 -4.984 1.00 0.00 H new ATOM 1450 N HIS A 88 -12.609 -1.372 -6.325 1.00 0.00 N ATOM 1451 CA HIS A 88 -13.755 -1.916 -5.617 1.00 0.00 C ATOM 1452 C HIS A 88 -14.757 -2.485 -6.624 1.00 0.00 C ATOM 1453 O HIS A 88 -15.449 -3.461 -6.334 1.00 0.00 O ATOM 1454 CB HIS A 88 -14.373 -0.866 -4.695 1.00 0.00 C ATOM 1455 CG HIS A 88 -14.265 -1.197 -3.224 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -15.370 -1.353 -2.408 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -13.171 -1.402 -2.436 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -14.949 -1.638 -1.185 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -13.587 -1.667 -1.204 1.00 0.00 N ATOM 0 H HIS A 88 -12.308 -0.451 -6.006 1.00 0.00 H new ATOM 0 HA HIS A 88 -13.434 -2.735 -4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -13.888 0.093 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -15.425 -0.745 -4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -12.142 -1.356 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -15.576 -1.816 -0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.986 -1.861 -0.403 1.00 0.00 H new ATOM 1467 N LEU A 89 -14.805 -1.850 -7.785 1.00 0.00 N ATOM 1468 CA LEU A 89 -15.712 -2.280 -8.836 1.00 0.00 C ATOM 1469 C LEU A 89 -15.239 -3.624 -9.394 1.00 0.00 C ATOM 1470 O LEU A 89 -15.962 -4.617 -9.326 1.00 0.00 O ATOM 1471 CB LEU A 89 -15.854 -1.189 -9.901 1.00 0.00 C ATOM 1472 CG LEU A 89 -16.273 0.193 -9.393 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -15.877 1.285 -10.387 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -17.768 0.227 -9.069 1.00 0.00 C ATOM 0 H LEU A 89 -14.231 -1.041 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.713 -2.435 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.901 -1.090 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -16.586 -1.521 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.738 0.393 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.186 2.257 -10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.796 1.277 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.366 1.101 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.040 1.220 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.340 -0.004 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.990 -0.511 -8.298 1.00 0.00 H new ATOM 1486 N GLU A 90 -14.029 -3.612 -9.932 1.00 0.00 N ATOM 1487 CA GLU A 90 -13.450 -4.819 -10.500 1.00 0.00 C ATOM 1488 C GLU A 90 -12.461 -5.448 -9.516 1.00 0.00 C ATOM 1489 O GLU A 90 -11.364 -4.929 -9.317 1.00 0.00 O ATOM 1490 CB GLU A 90 -12.777 -4.524 -11.842 1.00 0.00 C ATOM 1491 CG GLU A 90 -11.493 -3.717 -11.646 1.00 0.00 C ATOM 1492 CD GLU A 90 -11.222 -2.814 -12.852 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -12.066 -1.927 -13.098 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -10.177 -3.033 -13.501 1.00 0.00 O ATOM 0 H GLU A 90 -13.433 -2.786 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.253 -5.533 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.548 -5.460 -12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.464 -3.971 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.575 -3.110 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.652 -4.395 -11.499 1.00 0.00 H new ATOM 1501 N HIS A 91 -12.886 -6.557 -8.928 1.00 0.00 N ATOM 1502 CA HIS A 91 -12.050 -7.262 -7.971 1.00 0.00 C ATOM 1503 C HIS A 91 -12.018 -8.751 -8.317 1.00 0.00 C ATOM 1504 O HIS A 91 -12.793 -9.535 -7.772 1.00 0.00 O ATOM 1505 CB HIS A 91 -12.522 -6.995 -6.540 1.00 0.00 C ATOM 1506 CG HIS A 91 -12.108 -8.057 -5.549 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -12.911 -9.138 -5.232 1.00 0.00 N ATOM 1508 CD2 HIS A 91 -10.969 -8.194 -4.812 1.00 0.00 C ATOM 1509 CE1 HIS A 91 -12.274 -9.885 -4.340 1.00 0.00 C ATOM 1510 NE2 HIS A 91 -11.071 -9.297 -4.081 1.00 0.00 N ATOM 0 H HIS A 91 -13.797 -6.984 -9.096 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.027 -6.890 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.128 -6.033 -6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -13.609 -6.913 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.126 -7.519 -4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.643 -10.798 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.366 -9.647 -3.432 1.00 0.00 H new ATOM 1518 N HIS A 92 -11.114 -9.097 -9.223 1.00 0.00 N ATOM 1519 CA HIS A 92 -10.971 -10.478 -9.648 1.00 0.00 C ATOM 1520 C HIS A 92 -9.741 -10.612 -10.548 1.00 0.00 C ATOM 1521 O HIS A 92 -9.862 -10.649 -11.771 1.00 0.00 O ATOM 1522 CB HIS A 92 -12.253 -10.975 -10.319 1.00 0.00 C ATOM 1523 CG HIS A 92 -12.537 -12.441 -10.090 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -13.670 -12.891 -9.434 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -11.825 -13.551 -10.436 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -13.631 -14.215 -9.393 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -12.487 -14.622 -10.013 1.00 0.00 N ATOM 0 H HIS A 92 -10.474 -8.444 -9.674 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.814 -11.116 -8.778 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -13.095 -10.390 -9.949 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.184 -10.792 -11.391 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.883 -13.558 -10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.375 -14.859 -8.947 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.189 -15.590 -10.132 1.00 0.00 H new ATOM 1535 N HIS A 93 -8.583 -10.684 -9.905 1.00 0.00 N ATOM 1536 CA HIS A 93 -7.332 -10.815 -10.631 1.00 0.00 C ATOM 1537 C HIS A 93 -6.646 -12.125 -10.243 1.00 0.00 C ATOM 1538 O HIS A 93 -5.641 -12.119 -9.535 1.00 0.00 O ATOM 1539 CB HIS A 93 -6.441 -9.591 -10.404 1.00 0.00 C ATOM 1540 CG HIS A 93 -5.417 -9.366 -11.490 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -5.279 -8.159 -12.152 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -4.484 -10.205 -12.024 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -4.303 -8.278 -13.042 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -3.813 -9.548 -12.961 1.00 0.00 N ATOM 0 H HIS A 93 -8.486 -10.654 -8.890 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.533 -10.854 -11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.071 -8.705 -10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.925 -9.702 -9.450 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.319 -11.232 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.957 -7.505 -13.713 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.056 -9.930 -13.527 1.00 0.00 H new ATOM 1552 N HIS A 94 -7.218 -13.220 -10.724 1.00 0.00 N ATOM 1553 CA HIS A 94 -6.676 -14.536 -10.436 1.00 0.00 C ATOM 1554 C HIS A 94 -5.515 -14.833 -11.388 1.00 0.00 C ATOM 1555 O HIS A 94 -5.574 -15.786 -12.165 1.00 0.00 O ATOM 1556 CB HIS A 94 -7.774 -15.601 -10.488 1.00 0.00 C ATOM 1557 CG HIS A 94 -8.184 -15.992 -11.889 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -8.218 -17.306 -12.320 1.00 0.00 N ATOM 1559 CD2 HIS A 94 -8.578 -15.228 -12.948 1.00 0.00 C ATOM 1560 CE1 HIS A 94 -8.613 -17.320 -13.584 1.00 0.00 C ATOM 1561 NE2 HIS A 94 -8.836 -16.032 -13.972 1.00 0.00 N ATOM 0 H HIS A 94 -8.052 -13.222 -11.311 1.00 0.00 H new ATOM 0 HA HIS A 94 -6.281 -14.555 -9.420 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.429 -16.490 -9.960 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.650 -15.232 -9.954 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.665 -14.152 -12.953 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.737 -18.198 -14.200 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.149 -15.735 -14.896 1.00 0.00 H new ATOM 1569 N HIS A 95 -4.490 -14.001 -11.298 1.00 0.00 N ATOM 1570 CA HIS A 95 -3.318 -14.163 -12.142 1.00 0.00 C ATOM 1571 C HIS A 95 -2.057 -13.859 -11.333 1.00 0.00 C ATOM 1572 O HIS A 95 -1.427 -12.820 -11.523 1.00 0.00 O ATOM 1573 CB HIS A 95 -3.435 -13.303 -13.402 1.00 0.00 C ATOM 1574 CG HIS A 95 -3.630 -14.098 -14.672 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -2.634 -14.253 -15.620 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -4.714 -14.779 -15.138 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -3.109 -14.996 -16.609 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -4.399 -15.321 -16.309 1.00 0.00 N ATOM 0 H HIS A 95 -4.446 -13.212 -10.653 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.249 -15.197 -12.481 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.272 -12.615 -13.284 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.535 -12.696 -13.500 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.668 -14.864 -14.639 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.569 -15.292 -17.496 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.019 -15.887 -16.888 1.00 0.00 H new ATOM 1586 N HIS A 96 -1.724 -14.785 -10.445 1.00 0.00 N ATOM 1587 CA HIS A 96 -0.549 -14.630 -9.606 1.00 0.00 C ATOM 1588 C HIS A 96 0.662 -14.288 -10.476 1.00 0.00 C ATOM 1589 O HIS A 96 1.571 -13.588 -10.033 1.00 0.00 O ATOM 1590 CB HIS A 96 -0.328 -15.876 -8.744 1.00 0.00 C ATOM 1591 CG HIS A 96 0.189 -17.069 -9.512 1.00 0.00 C ATOM 1592 ND1 HIS A 96 -0.643 -18.053 -10.018 1.00 0.00 N ATOM 1593 CD2 HIS A 96 1.460 -17.425 -9.858 1.00 0.00 C ATOM 1594 CE1 HIS A 96 0.104 -18.956 -10.636 1.00 0.00 C ATOM 1595 NE2 HIS A 96 1.407 -18.565 -10.534 1.00 0.00 N ATOM 0 H HIS A 96 -2.249 -15.646 -10.289 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.700 -13.802 -8.913 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.377 -15.635 -7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.269 -16.145 -8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.357 -16.872 -9.622 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.255 -19.845 -11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.209 -19.067 -10.915 1.00 0.00 H new TER 1603 HIS A 96