USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.1 K(o=0.99,f=-3.8!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.11 K(o=0.99,f=-1.6!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 119:sc= 0.0256 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 TYR OH : rot -63:sc= 1.23 USER MOD Set 3.3: A 71 SER OG : rot -71:sc= 2.34 USER MOD Set 4.1: A 26 HIS :FLIP no HD1:sc= 0.436 F(o=-1.7,f=-0.23) USER MOD Set 4.2: A 55 THR OG1 : rot -133:sc= -0.669 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -23:sc= 1.25 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.274 K(o=-0.27,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -100:sc= -0.164 USER MOD Single : A 27 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=-0.00043) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 64 SER OG : rot -170:sc= 0.158 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -145:sc= 1.35 USER MOD Single : A 80 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.933 -8.336 -11.266 1.00 0.00 N ATOM 66 CA LYS A 5 1.623 -8.828 -10.078 1.00 0.00 C ATOM 67 C LYS A 5 0.627 -9.150 -8.961 1.00 0.00 C ATOM 68 O LYS A 5 0.691 -8.607 -7.863 1.00 0.00 O ATOM 69 CB LYS A 5 2.789 -7.922 -9.663 1.00 0.00 C ATOM 70 CG LYS A 5 3.740 -7.609 -10.825 1.00 0.00 C ATOM 71 CD LYS A 5 4.927 -6.793 -10.297 1.00 0.00 C ATOM 72 CE LYS A 5 5.801 -6.257 -11.443 1.00 0.00 C ATOM 73 NZ LYS A 5 5.788 -4.781 -11.500 1.00 0.00 N ATOM 0 HA LYS A 5 2.103 -9.775 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.393 -6.989 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.349 -8.402 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.093 -8.534 -11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.215 -7.051 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.559 -5.959 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.532 -7.415 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.825 -6.606 -11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.445 -6.660 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.389 -4.459 -12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.814 -4.448 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.152 -4.396 -10.605 1.00 0.00 H new ATOM 87 N TYR A 6 -0.336 -10.019 -9.258 1.00 0.00 N ATOM 88 CA TYR A 6 -1.319 -10.462 -8.289 1.00 0.00 C ATOM 89 C TYR A 6 -0.610 -11.232 -7.165 1.00 0.00 C ATOM 90 O TYR A 6 0.096 -12.198 -7.445 1.00 0.00 O ATOM 91 CB TYR A 6 -2.390 -11.293 -9.000 1.00 0.00 C ATOM 92 CG TYR A 6 -3.577 -10.493 -9.518 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.442 -9.660 -10.638 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.840 -10.620 -8.913 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.580 -9.062 -11.211 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.964 -9.967 -9.440 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.831 -9.171 -10.584 1.00 0.00 C ATOM 98 OH TYR A 6 -6.882 -8.427 -11.022 1.00 0.00 O ATOM 0 H TYR A 6 -0.452 -10.434 -10.183 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.825 -9.613 -7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.928 -11.815 -9.838 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.756 -12.055 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.465 -9.477 -11.061 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.946 -11.230 -8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.490 -8.516 -12.139 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.928 -10.078 -8.965 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.548 -7.637 -11.497 1.00 0.00 H new ATOM 108 N TYR A 7 -0.773 -10.793 -5.912 1.00 0.00 N ATOM 109 CA TYR A 7 -0.110 -11.358 -4.740 1.00 0.00 C ATOM 110 C TYR A 7 -1.132 -11.748 -3.670 1.00 0.00 C ATOM 111 O TYR A 7 -2.176 -11.106 -3.548 1.00 0.00 O ATOM 112 CB TYR A 7 0.862 -10.331 -4.161 1.00 0.00 C ATOM 113 CG TYR A 7 1.991 -9.897 -5.078 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.900 -10.853 -5.565 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.215 -8.530 -5.332 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.037 -10.447 -6.283 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.349 -8.125 -6.059 1.00 0.00 C ATOM 118 CZ TYR A 7 4.271 -9.081 -6.512 1.00 0.00 C ATOM 119 OH TYR A 7 5.360 -8.686 -7.232 1.00 0.00 O ATOM 0 H TYR A 7 -1.388 -10.012 -5.683 1.00 0.00 H new ATOM 0 HA TYR A 7 0.431 -12.253 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.295 -9.446 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.297 -10.744 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.723 -11.903 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.515 -7.792 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.731 -11.185 -6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.510 -7.078 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 7 5.372 -7.708 -7.298 1.00 0.00 H new ATOM 129 N THR A 8 -0.855 -12.816 -2.916 1.00 0.00 N ATOM 130 CA THR A 8 -1.746 -13.340 -1.888 1.00 0.00 C ATOM 131 C THR A 8 -1.552 -12.587 -0.567 1.00 0.00 C ATOM 132 O THR A 8 -0.689 -11.716 -0.445 1.00 0.00 O ATOM 133 CB THR A 8 -1.459 -14.840 -1.701 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.081 -15.007 -1.444 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.823 -15.658 -2.940 1.00 0.00 C ATOM 0 H THR A 8 0.011 -13.347 -3.008 1.00 0.00 H new ATOM 0 HA THR A 8 -2.781 -13.201 -2.200 1.00 0.00 H new ATOM 0 HB THR A 8 -2.069 -15.196 -0.871 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.116 -15.959 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.602 -16.710 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.885 -15.542 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.241 -15.307 -3.792 1.00 0.00 H new ATOM 143 N LEU A 9 -2.353 -12.940 0.442 1.00 0.00 N ATOM 144 CA LEU A 9 -2.314 -12.294 1.738 1.00 0.00 C ATOM 145 C LEU A 9 -0.967 -12.584 2.394 1.00 0.00 C ATOM 146 O LEU A 9 -0.195 -11.651 2.576 1.00 0.00 O ATOM 147 CB LEU A 9 -3.510 -12.742 2.590 1.00 0.00 C ATOM 148 CG LEU A 9 -4.874 -12.185 2.139 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.041 -10.680 2.372 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.232 -12.499 0.688 1.00 0.00 C ATOM 0 H LEU A 9 -3.046 -13.685 0.373 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.403 -11.213 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.557 -13.831 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.335 -12.441 3.623 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.569 -12.718 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.027 -10.366 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.941 -10.463 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.274 -10.139 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.206 -12.071 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.479 -12.071 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.267 -13.579 0.547 1.00 0.00 H new ATOM 162 N GLU A 10 -0.652 -13.850 2.699 1.00 0.00 N ATOM 163 CA GLU A 10 0.647 -14.276 3.211 1.00 0.00 C ATOM 164 C GLU A 10 1.808 -13.582 2.492 1.00 0.00 C ATOM 165 O GLU A 10 2.718 -13.081 3.155 1.00 0.00 O ATOM 166 CB GLU A 10 0.800 -15.803 3.113 1.00 0.00 C ATOM 167 CG GLU A 10 0.123 -16.560 4.268 1.00 0.00 C ATOM 168 CD GLU A 10 -1.364 -16.826 4.055 1.00 0.00 C ATOM 169 OE1 GLU A 10 -2.015 -15.988 3.395 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.817 -17.867 4.575 1.00 0.00 O ATOM 0 H GLU A 10 -1.312 -14.620 2.592 1.00 0.00 H new ATOM 0 HA GLU A 10 0.685 -13.982 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.377 -16.143 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.861 -16.054 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.634 -17.512 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.250 -15.987 5.187 1.00 0.00 H new ATOM 177 N GLU A 11 1.779 -13.556 1.153 1.00 0.00 N ATOM 178 CA GLU A 11 2.776 -12.836 0.370 1.00 0.00 C ATOM 179 C GLU A 11 2.870 -11.401 0.902 1.00 0.00 C ATOM 180 O GLU A 11 3.889 -10.996 1.463 1.00 0.00 O ATOM 181 CB GLU A 11 2.407 -12.891 -1.122 1.00 0.00 C ATOM 182 CG GLU A 11 3.569 -12.493 -2.041 1.00 0.00 C ATOM 183 CD GLU A 11 4.436 -13.692 -2.396 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.939 -14.525 -3.185 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.568 -13.757 -1.872 1.00 0.00 O ATOM 0 H GLU A 11 1.070 -14.029 0.593 1.00 0.00 H new ATOM 0 HA GLU A 11 3.758 -13.299 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.081 -13.900 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.562 -12.228 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.175 -12.045 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.179 -11.734 -1.550 1.00 0.00 H new ATOM 192 N ILE A 12 1.773 -10.644 0.822 1.00 0.00 N ATOM 193 CA ILE A 12 1.743 -9.257 1.269 1.00 0.00 C ATOM 194 C ILE A 12 1.455 -9.145 2.774 1.00 0.00 C ATOM 195 O ILE A 12 0.693 -8.286 3.210 1.00 0.00 O ATOM 196 CB ILE A 12 0.774 -8.433 0.407 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.890 -8.780 -1.083 1.00 0.00 C ATOM 198 CG2 ILE A 12 1.088 -6.943 0.583 1.00 0.00 C ATOM 199 CD1 ILE A 12 2.230 -8.432 -1.718 1.00 0.00 C ATOM 0 H ILE A 12 0.885 -10.978 0.446 1.00 0.00 H new ATOM 0 HA ILE A 12 2.736 -8.830 1.130 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.239 -8.666 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.711 -9.848 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.101 -8.259 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.404 -6.353 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.970 -6.668 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.114 -6.748 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.218 -8.713 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.406 -7.360 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.026 -8.973 -1.207 1.00 0.00 H new ATOM 211 N GLN A 13 2.105 -9.994 3.572 1.00 0.00 N ATOM 212 CA GLN A 13 2.017 -10.013 5.024 1.00 0.00 C ATOM 213 C GLN A 13 3.416 -9.855 5.617 1.00 0.00 C ATOM 214 O GLN A 13 3.627 -9.071 6.538 1.00 0.00 O ATOM 215 CB GLN A 13 1.383 -11.331 5.485 1.00 0.00 C ATOM 216 CG GLN A 13 0.764 -11.167 6.870 1.00 0.00 C ATOM 217 CD GLN A 13 0.625 -12.512 7.572 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.261 -12.746 8.595 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.158 -13.425 7.007 1.00 0.00 N ATOM 0 H GLN A 13 2.730 -10.712 3.206 1.00 0.00 H new ATOM 0 HA GLN A 13 1.392 -9.188 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.619 -11.643 4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.138 -12.117 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.383 -10.502 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.215 -10.697 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.674 -13.199 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.243 -14.352 7.424 1.00 0.00 H new ATOM 228 N LYS A 14 4.391 -10.607 5.091 1.00 0.00 N ATOM 229 CA LYS A 14 5.775 -10.518 5.546 1.00 0.00 C ATOM 230 C LYS A 14 6.447 -9.232 5.037 1.00 0.00 C ATOM 231 O LYS A 14 7.481 -8.820 5.565 1.00 0.00 O ATOM 232 CB LYS A 14 6.550 -11.793 5.167 1.00 0.00 C ATOM 233 CG LYS A 14 6.190 -12.990 6.070 1.00 0.00 C ATOM 234 CD LYS A 14 5.220 -13.983 5.409 1.00 0.00 C ATOM 235 CE LYS A 14 4.541 -14.914 6.431 1.00 0.00 C ATOM 236 NZ LYS A 14 5.505 -15.703 7.226 1.00 0.00 N ATOM 0 H LYS A 14 4.240 -11.287 4.345 1.00 0.00 H new ATOM 0 HA LYS A 14 5.784 -10.453 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.339 -12.048 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.620 -11.598 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.104 -13.515 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.745 -12.618 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.456 -13.430 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.762 -14.584 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.926 -14.317 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.870 -15.594 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.989 -16.309 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.076 -16.296 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.129 -15.059 7.753 1.00 0.00 H new ATOM 250 N HIS A 15 5.847 -8.565 4.049 1.00 0.00 N ATOM 251 CA HIS A 15 6.263 -7.246 3.596 1.00 0.00 C ATOM 252 C HIS A 15 5.956 -6.180 4.654 1.00 0.00 C ATOM 253 O HIS A 15 4.915 -5.527 4.615 1.00 0.00 O ATOM 254 CB HIS A 15 5.567 -6.934 2.270 1.00 0.00 C ATOM 255 CG HIS A 15 6.339 -7.412 1.072 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.048 -6.604 0.213 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.570 -8.713 0.710 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.672 -7.402 -0.668 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.419 -8.694 -0.401 1.00 0.00 N ATOM 0 H HIS A 15 5.047 -8.936 3.537 1.00 0.00 H new ATOM 0 HA HIS A 15 7.342 -7.238 3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.580 -7.397 2.267 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.415 -5.858 2.191 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.091 -5.585 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.170 -9.592 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.292 -7.053 -1.480 1.00 0.00 H new ATOM 267 N LYS A 16 6.893 -5.994 5.586 1.00 0.00 N ATOM 268 CA LYS A 16 6.803 -5.024 6.673 1.00 0.00 C ATOM 269 C LYS A 16 8.199 -4.689 7.198 1.00 0.00 C ATOM 270 O LYS A 16 8.529 -3.521 7.400 1.00 0.00 O ATOM 271 CB LYS A 16 5.857 -5.535 7.775 1.00 0.00 C ATOM 272 CG LYS A 16 6.135 -6.978 8.239 1.00 0.00 C ATOM 273 CD LYS A 16 4.923 -7.566 8.976 1.00 0.00 C ATOM 274 CE LYS A 16 5.015 -7.370 10.489 1.00 0.00 C ATOM 275 NZ LYS A 16 5.835 -8.407 11.143 1.00 0.00 N ATOM 0 H LYS A 16 7.760 -6.531 5.603 1.00 0.00 H new ATOM 0 HA LYS A 16 6.373 -4.096 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.930 -4.870 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.831 -5.475 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.377 -7.600 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.005 -6.991 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.012 -7.096 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.846 -8.630 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.440 -6.389 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.012 -7.382 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.866 -8.230 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.417 -9.343 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.800 -8.381 10.757 1.00 0.00 H new ATOM 334 N SER A 20 11.283 -1.919 3.364 1.00 0.00 N ATOM 335 CA SER A 20 10.530 -2.308 2.175 1.00 0.00 C ATOM 336 C SER A 20 9.042 -2.461 2.500 1.00 0.00 C ATOM 337 O SER A 20 8.492 -3.559 2.423 1.00 0.00 O ATOM 338 CB SER A 20 11.147 -3.589 1.594 1.00 0.00 C ATOM 339 OG SER A 20 10.696 -3.823 0.276 1.00 0.00 O ATOM 0 HA SER A 20 10.594 -1.527 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.234 -3.507 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.888 -4.439 2.226 1.00 0.00 H new ATOM 0 HG SER A 20 11.106 -4.644 -0.069 1.00 0.00 H new ATOM 345 N THR A 21 8.396 -1.357 2.879 1.00 0.00 N ATOM 346 CA THR A 21 7.005 -1.351 3.304 1.00 0.00 C ATOM 347 C THR A 21 6.049 -1.260 2.112 1.00 0.00 C ATOM 348 O THR A 21 6.131 -0.346 1.289 1.00 0.00 O ATOM 349 CB THR A 21 6.810 -0.236 4.336 1.00 0.00 C ATOM 350 OG1 THR A 21 7.192 -0.760 5.590 1.00 0.00 O ATOM 351 CG2 THR A 21 5.377 0.293 4.425 1.00 0.00 C ATOM 0 H THR A 21 8.833 -0.435 2.898 1.00 0.00 H new ATOM 0 HA THR A 21 6.758 -2.298 3.784 1.00 0.00 H new ATOM 0 HB THR A 21 7.418 0.615 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.392 -1.020 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.325 1.079 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.078 0.697 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.706 -0.520 4.702 1.00 0.00 H new ATOM 359 N TRP A 22 5.135 -2.232 2.043 1.00 0.00 N ATOM 360 CA TRP A 22 4.041 -2.330 1.088 1.00 0.00 C ATOM 361 C TRP A 22 2.730 -2.171 1.852 1.00 0.00 C ATOM 362 O TRP A 22 2.696 -2.386 3.064 1.00 0.00 O ATOM 363 CB TRP A 22 4.085 -3.692 0.413 1.00 0.00 C ATOM 364 CG TRP A 22 5.166 -3.890 -0.604 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.260 -3.120 -0.808 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.192 -4.888 -1.658 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.928 -3.559 -1.926 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.316 -4.646 -2.493 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.346 -5.949 -2.011 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.579 -5.406 -3.637 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.654 -6.780 -3.109 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.764 -6.507 -3.925 1.00 0.00 C ATOM 0 H TRP A 22 5.145 -3.017 2.695 1.00 0.00 H new ATOM 0 HA TRP A 22 4.125 -1.556 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.197 -4.454 1.185 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.124 -3.866 -0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.562 -2.289 -0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.777 -3.127 -2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.450 -6.132 -1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.400 -5.147 -4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.030 -7.635 -3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.987 -7.142 -4.769 1.00 0.00 H new ATOM 383 N VAL A 23 1.658 -1.822 1.140 1.00 0.00 N ATOM 384 CA VAL A 23 0.313 -1.710 1.687 1.00 0.00 C ATOM 385 C VAL A 23 -0.678 -2.130 0.599 1.00 0.00 C ATOM 386 O VAL A 23 -0.436 -1.889 -0.589 1.00 0.00 O ATOM 387 CB VAL A 23 0.030 -0.277 2.182 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.627 0.006 3.563 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.570 0.778 1.218 1.00 0.00 C ATOM 0 H VAL A 23 1.706 -1.605 0.144 1.00 0.00 H new ATOM 0 HA VAL A 23 0.208 -2.364 2.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.057 -0.214 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.395 1.030 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.204 -0.686 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.709 -0.124 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.349 1.772 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.649 0.660 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.098 0.655 0.243 1.00 0.00 H new ATOM 399 N ILE A 24 -1.780 -2.774 0.999 1.00 0.00 N ATOM 400 CA ILE A 24 -2.799 -3.247 0.070 1.00 0.00 C ATOM 401 C ILE A 24 -4.012 -2.317 0.111 1.00 0.00 C ATOM 402 O ILE A 24 -4.982 -2.554 0.828 1.00 0.00 O ATOM 403 CB ILE A 24 -3.126 -4.732 0.301 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.639 -5.088 1.693 1.00 0.00 C ATOM 405 CG2 ILE A 24 -1.882 -5.585 0.049 1.00 0.00 C ATOM 406 CD1 ILE A 24 -4.974 -5.834 1.661 1.00 0.00 C ATOM 0 H ILE A 24 -1.986 -2.979 1.977 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.415 -3.206 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.935 -4.937 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.897 -5.703 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.752 -4.175 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.121 -6.635 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.548 -5.447 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.088 -5.282 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.289 -6.061 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.727 -5.211 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.859 -6.763 1.102 1.00 0.00 H new ATOM 418 N LEU A 25 -3.944 -1.211 -0.626 1.00 0.00 N ATOM 419 CA LEU A 25 -4.995 -0.211 -0.574 1.00 0.00 C ATOM 420 C LEU A 25 -6.101 -0.585 -1.573 1.00 0.00 C ATOM 421 O LEU A 25 -5.955 -0.384 -2.778 1.00 0.00 O ATOM 422 CB LEU A 25 -4.440 1.204 -0.784 1.00 0.00 C ATOM 423 CG LEU A 25 -3.158 1.507 0.001 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.776 2.959 -0.265 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.339 1.371 1.505 1.00 0.00 C ATOM 0 H LEU A 25 -3.176 -0.990 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.438 -0.199 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.244 1.350 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.205 1.927 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.402 0.793 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.865 3.202 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.606 3.101 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.583 3.614 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.398 1.598 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.107 2.066 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.641 0.352 1.744 1.00 0.00 H new ATOM 437 N HIS A 26 -7.212 -1.133 -1.072 1.00 0.00 N ATOM 438 CA HIS A 26 -8.317 -1.675 -1.856 1.00 0.00 C ATOM 439 C HIS A 26 -7.832 -2.907 -2.630 1.00 0.00 C ATOM 440 O HIS A 26 -6.773 -3.463 -2.344 1.00 0.00 O ATOM 441 CB HIS A 26 -8.966 -0.594 -2.752 1.00 0.00 C ATOM 442 CG HIS A 26 -9.787 0.426 -2.012 1.00 0.00 C ATOM 443 ND1 HIS A 26 -9.424 1.717 -1.732 1.00 0.00 N flip ATOM 444 CD2 HIS A 26 -11.109 0.276 -1.655 1.00 0.00 C flip ATOM 445 CE1 HIS A 26 -10.542 2.361 -1.201 1.00 0.00 C flip ATOM 446 NE2 HIS A 26 -11.531 1.452 -1.160 1.00 0.00 N flip ATOM 0 H HIS A 26 -7.369 -1.213 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.115 -2.001 -1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.180 -0.077 -3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.601 -1.086 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.699 -0.623 -1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.601 3.392 -0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -12.470 1.630 -0.803 1.00 0.00 H new ATOM 454 N HIS A 27 -8.616 -3.347 -3.618 1.00 0.00 N ATOM 455 CA HIS A 27 -8.270 -4.439 -4.511 1.00 0.00 C ATOM 456 C HIS A 27 -7.159 -3.980 -5.463 1.00 0.00 C ATOM 457 O HIS A 27 -7.411 -3.784 -6.646 1.00 0.00 O ATOM 458 CB HIS A 27 -9.531 -4.861 -5.281 1.00 0.00 C ATOM 459 CG HIS A 27 -10.614 -5.485 -4.431 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.068 -6.781 -4.535 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.402 -4.848 -3.507 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.100 -6.919 -3.686 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.341 -5.769 -3.038 1.00 0.00 N ATOM 0 H HIS A 27 -9.529 -2.939 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.900 -5.298 -3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.942 -3.986 -5.784 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.245 -5.570 -6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.312 -3.817 -3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.660 -7.832 -3.544 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.066 -5.601 -2.341 1.00 0.00 H new ATOM 471 N LYS A 28 -5.954 -3.752 -4.932 1.00 0.00 N ATOM 472 CA LYS A 28 -4.758 -3.321 -5.646 1.00 0.00 C ATOM 473 C LYS A 28 -3.621 -3.119 -4.643 1.00 0.00 C ATOM 474 O LYS A 28 -3.841 -2.538 -3.581 1.00 0.00 O ATOM 475 CB LYS A 28 -4.977 -2.098 -6.553 1.00 0.00 C ATOM 476 CG LYS A 28 -5.939 -1.023 -6.019 1.00 0.00 C ATOM 477 CD LYS A 28 -6.882 -0.547 -7.138 1.00 0.00 C ATOM 478 CE LYS A 28 -8.196 -0.010 -6.563 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.989 1.226 -5.785 1.00 0.00 N ATOM 0 H LYS A 28 -5.782 -3.872 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.483 -4.113 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.010 -1.631 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.352 -2.447 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.521 -1.426 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.371 -0.178 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.393 0.232 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.090 -1.373 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.896 0.185 -7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.651 -0.769 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.901 1.558 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.341 1.034 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.578 1.958 -6.399 1.00 0.00 H new ATOM 493 N VAL A 29 -2.423 -3.627 -4.953 1.00 0.00 N ATOM 494 CA VAL A 29 -1.271 -3.523 -4.068 1.00 0.00 C ATOM 495 C VAL A 29 -0.361 -2.394 -4.543 1.00 0.00 C ATOM 496 O VAL A 29 -0.158 -2.215 -5.748 1.00 0.00 O ATOM 497 CB VAL A 29 -0.521 -4.861 -3.950 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.635 -4.707 -2.947 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.477 -5.969 -3.489 1.00 0.00 C ATOM 0 H VAL A 29 -2.231 -4.120 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.620 -3.283 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.121 -5.137 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.170 -5.653 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.320 -3.934 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.236 -4.425 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.932 -6.910 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.894 -5.708 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.285 -6.077 -4.213 1.00 0.00 H new ATOM 509 N TYR A 30 0.183 -1.642 -3.581 1.00 0.00 N ATOM 510 CA TYR A 30 1.051 -0.510 -3.840 1.00 0.00 C ATOM 511 C TYR A 30 2.376 -0.707 -3.100 1.00 0.00 C ATOM 512 O TYR A 30 2.376 -0.958 -1.891 1.00 0.00 O ATOM 513 CB TYR A 30 0.322 0.766 -3.406 1.00 0.00 C ATOM 514 CG TYR A 30 -0.958 1.026 -4.180 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.889 1.524 -5.491 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.216 0.730 -3.628 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.064 1.828 -6.199 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.386 1.090 -4.322 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.309 1.691 -5.581 1.00 0.00 C ATOM 520 OH TYR A 30 -4.418 2.268 -6.126 1.00 0.00 O ATOM 0 H TYR A 30 0.025 -1.813 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 30 1.285 -0.424 -4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.087 0.697 -2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.991 1.617 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.073 1.674 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.285 0.228 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.004 2.168 -7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.352 0.900 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.307 3.242 -6.140 1.00 0.00 H new ATOM 530 N ASP A 31 3.495 -0.594 -3.828 1.00 0.00 N ATOM 531 CA ASP A 31 4.821 -0.497 -3.225 1.00 0.00 C ATOM 532 C ASP A 31 5.036 0.971 -2.895 1.00 0.00 C ATOM 533 O ASP A 31 4.906 1.814 -3.781 1.00 0.00 O ATOM 534 CB ASP A 31 5.923 -0.984 -4.184 1.00 0.00 C ATOM 535 CG ASP A 31 7.325 -0.810 -3.595 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.660 0.317 -3.179 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.052 -1.820 -3.504 1.00 0.00 O ATOM 0 H ASP A 31 3.501 -0.568 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 31 4.876 -1.129 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.758 -2.036 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.855 -0.433 -5.122 1.00 0.00 H new ATOM 542 N LEU A 32 5.354 1.278 -1.636 1.00 0.00 N ATOM 543 CA LEU A 32 5.677 2.632 -1.222 1.00 0.00 C ATOM 544 C LEU A 32 7.058 2.659 -0.561 1.00 0.00 C ATOM 545 O LEU A 32 7.370 3.565 0.208 1.00 0.00 O ATOM 546 CB LEU A 32 4.569 3.125 -0.287 1.00 0.00 C ATOM 547 CG LEU A 32 3.166 3.010 -0.916 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.147 3.347 0.160 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.904 3.915 -2.131 1.00 0.00 C ATOM 0 H LEU A 32 5.393 0.593 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 32 5.727 3.303 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.597 2.549 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.759 4.165 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 32 3.086 1.990 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.142 3.274 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.249 2.647 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.319 4.362 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.889 3.753 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.023 4.959 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.614 3.676 -2.923 1.00 0.00 H new ATOM 561 N THR A 33 7.910 1.692 -0.903 1.00 0.00 N ATOM 562 CA THR A 33 9.228 1.490 -0.327 1.00 0.00 C ATOM 563 C THR A 33 10.083 2.742 -0.496 1.00 0.00 C ATOM 564 O THR A 33 10.674 3.232 0.463 1.00 0.00 O ATOM 565 CB THR A 33 9.851 0.240 -0.969 1.00 0.00 C ATOM 566 OG1 THR A 33 9.097 -0.881 -0.556 1.00 0.00 O ATOM 567 CG2 THR A 33 11.327 0.051 -0.619 1.00 0.00 C ATOM 0 H THR A 33 7.685 1.002 -1.620 1.00 0.00 H new ATOM 0 HA THR A 33 9.160 1.320 0.747 1.00 0.00 H new ATOM 0 HB THR A 33 9.820 0.360 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.703 -1.317 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.704 -0.849 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.896 0.914 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.435 -0.047 0.461 1.00 0.00 H new ATOM 575 N LYS A 34 10.132 3.288 -1.713 1.00 0.00 N ATOM 576 CA LYS A 34 10.843 4.530 -1.981 1.00 0.00 C ATOM 577 C LYS A 34 9.928 5.751 -1.839 1.00 0.00 C ATOM 578 O LYS A 34 10.291 6.828 -2.300 1.00 0.00 O ATOM 579 CB LYS A 34 11.466 4.461 -3.380 1.00 0.00 C ATOM 580 CG LYS A 34 12.546 3.370 -3.482 1.00 0.00 C ATOM 581 CD LYS A 34 13.879 3.925 -4.024 1.00 0.00 C ATOM 582 CE LYS A 34 14.896 4.246 -2.917 1.00 0.00 C ATOM 583 NZ LYS A 34 15.496 3.021 -2.345 1.00 0.00 N ATOM 0 H LYS A 34 9.681 2.881 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 34 11.634 4.648 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.685 4.266 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.904 5.428 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.710 2.929 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.194 2.571 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.315 3.199 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.681 4.829 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.684 4.881 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.405 4.813 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.176 3.282 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.747 2.426 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.987 2.493 -3.094 1.00 0.00 H new ATOM 597 N PHE A 35 8.759 5.602 -1.207 1.00 0.00 N ATOM 598 CA PHE A 35 7.807 6.689 -1.026 1.00 0.00 C ATOM 599 C PHE A 35 7.639 7.033 0.455 1.00 0.00 C ATOM 600 O PHE A 35 6.986 8.016 0.782 1.00 0.00 O ATOM 601 CB PHE A 35 6.484 6.326 -1.701 1.00 0.00 C ATOM 602 CG PHE A 35 5.402 7.386 -1.625 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.619 8.669 -2.160 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.200 7.111 -0.949 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.614 9.647 -2.075 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.188 8.077 -0.881 1.00 0.00 C ATOM 607 CZ PHE A 35 3.400 9.350 -1.429 1.00 0.00 C ATOM 0 H PHE A 35 8.450 4.716 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 35 8.189 7.591 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.680 6.105 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.104 5.410 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.560 8.902 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.056 6.149 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.773 10.625 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.246 7.842 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.630 10.104 -1.355 1.00 0.00 H new ATOM 617 N LEU A 36 8.247 6.260 1.357 1.00 0.00 N ATOM 618 CA LEU A 36 8.122 6.462 2.789 1.00 0.00 C ATOM 619 C LEU A 36 8.427 7.913 3.176 1.00 0.00 C ATOM 620 O LEU A 36 7.568 8.593 3.732 1.00 0.00 O ATOM 621 CB LEU A 36 9.030 5.459 3.513 1.00 0.00 C ATOM 622 CG LEU A 36 8.553 3.998 3.449 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.441 3.127 4.346 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.088 3.840 3.883 1.00 0.00 C ATOM 0 H LEU A 36 8.843 5.472 1.105 1.00 0.00 H new ATOM 0 HA LEU A 36 7.092 6.281 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.030 5.520 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.113 5.754 4.559 1.00 0.00 H new ATOM 0 HG LEU A 36 8.627 3.679 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.102 2.092 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.474 3.186 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.380 3.483 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.801 2.790 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.973 4.186 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.449 4.431 3.228 1.00 0.00 H new ATOM 636 N GLU A 37 9.629 8.406 2.866 1.00 0.00 N ATOM 637 CA GLU A 37 9.979 9.783 3.190 1.00 0.00 C ATOM 638 C GLU A 37 9.243 10.763 2.264 1.00 0.00 C ATOM 639 O GLU A 37 8.719 11.776 2.721 1.00 0.00 O ATOM 640 CB GLU A 37 11.501 9.993 3.141 1.00 0.00 C ATOM 641 CG GLU A 37 11.929 10.979 4.239 1.00 0.00 C ATOM 642 CD GLU A 37 13.278 11.623 3.946 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.167 10.887 3.467 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.390 12.841 4.202 1.00 0.00 O ATOM 0 H GLU A 37 10.364 7.877 2.397 1.00 0.00 H new ATOM 0 HA GLU A 37 9.656 9.986 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.013 9.040 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.793 10.375 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.172 11.757 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.979 10.456 5.194 1.00 0.00 H new ATOM 651 N GLU A 38 9.214 10.463 0.958 1.00 0.00 N ATOM 652 CA GLU A 38 8.608 11.331 -0.050 1.00 0.00 C ATOM 653 C GLU A 38 7.139 11.649 0.264 1.00 0.00 C ATOM 654 O GLU A 38 6.670 12.740 -0.054 1.00 0.00 O ATOM 655 CB GLU A 38 8.743 10.704 -1.449 1.00 0.00 C ATOM 656 CG GLU A 38 9.986 11.156 -2.236 1.00 0.00 C ATOM 657 CD GLU A 38 9.585 11.835 -3.542 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.302 13.051 -3.487 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.535 11.118 -4.564 1.00 0.00 O ATOM 0 H GLU A 38 9.613 9.607 0.574 1.00 0.00 H new ATOM 0 HA GLU A 38 9.149 12.277 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.769 9.619 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.853 10.948 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.575 11.844 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.620 10.295 -2.448 1.00 0.00 H new ATOM 666 N HIS A 39 6.403 10.703 0.854 1.00 0.00 N ATOM 667 CA HIS A 39 5.005 10.870 1.228 1.00 0.00 C ATOM 668 C HIS A 39 4.790 12.182 1.987 1.00 0.00 C ATOM 669 O HIS A 39 5.268 12.297 3.119 1.00 0.00 O ATOM 670 CB HIS A 39 4.552 9.658 2.053 1.00 0.00 C ATOM 671 CG HIS A 39 3.159 9.740 2.637 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.859 9.594 3.969 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.970 9.799 1.962 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.523 9.573 4.090 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.928 9.682 2.892 1.00 0.00 N ATOM 0 H HIS A 39 6.775 9.782 1.088 1.00 0.00 H new ATOM 0 HA HIS A 39 4.396 10.925 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.609 8.771 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.260 9.514 2.870 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.532 9.515 4.731 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.854 9.916 0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.996 9.481 5.028 1.00 0.00 H new ATOM 683 N PRO A 40 4.065 13.161 1.406 1.00 0.00 N ATOM 684 CA PRO A 40 3.802 14.443 2.041 1.00 0.00 C ATOM 685 C PRO A 40 2.834 14.228 3.208 1.00 0.00 C ATOM 686 O PRO A 40 1.636 14.485 3.112 1.00 0.00 O ATOM 687 CB PRO A 40 3.246 15.357 0.942 1.00 0.00 C ATOM 688 CG PRO A 40 2.657 14.398 -0.083 1.00 0.00 C ATOM 689 CD PRO A 40 3.446 13.101 0.089 1.00 0.00 C ATOM 0 HA PRO A 40 4.691 14.908 2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.488 16.035 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.030 15.975 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.593 14.239 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.759 14.791 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.789 12.235 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.202 13.001 -0.690 1.00 0.00 H new ATOM 697 N GLY A 41 3.377 13.713 4.306 1.00 0.00 N ATOM 698 CA GLY A 41 2.628 13.173 5.423 1.00 0.00 C ATOM 699 C GLY A 41 3.563 12.416 6.367 1.00 0.00 C ATOM 700 O GLY A 41 3.380 12.484 7.580 1.00 0.00 O ATOM 0 H GLY A 41 4.386 13.661 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.131 13.980 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.848 12.505 5.058 1.00 0.00 H new ATOM 704 N GLY A 42 4.575 11.719 5.827 1.00 0.00 N ATOM 705 CA GLY A 42 5.614 11.076 6.623 1.00 0.00 C ATOM 706 C GLY A 42 5.741 9.589 6.366 1.00 0.00 C ATOM 707 O GLY A 42 4.858 8.967 5.777 1.00 0.00 O ATOM 0 H GLY A 42 4.690 11.589 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.570 11.556 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.402 11.237 7.680 1.00 0.00 H new ATOM 711 N GLU A 43 6.823 9.010 6.890 1.00 0.00 N ATOM 712 CA GLU A 43 7.074 7.592 6.761 1.00 0.00 C ATOM 713 C GLU A 43 6.267 6.817 7.800 1.00 0.00 C ATOM 714 O GLU A 43 5.639 5.813 7.478 1.00 0.00 O ATOM 715 CB GLU A 43 8.581 7.317 6.916 1.00 0.00 C ATOM 716 CG GLU A 43 8.887 5.836 7.218 1.00 0.00 C ATOM 717 CD GLU A 43 10.355 5.463 7.040 1.00 0.00 C ATOM 718 OE1 GLU A 43 11.123 6.330 6.571 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.679 4.301 7.368 1.00 0.00 O ATOM 0 H GLU A 43 7.540 9.516 7.411 1.00 0.00 H new ATOM 0 HA GLU A 43 6.760 7.257 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.096 7.611 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.979 7.937 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.587 5.614 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.280 5.209 6.565 1.00 0.00 H new ATOM 726 N GLU A 44 6.312 7.255 9.060 1.00 0.00 N ATOM 727 CA GLU A 44 5.813 6.477 10.191 1.00 0.00 C ATOM 728 C GLU A 44 4.339 6.119 9.993 1.00 0.00 C ATOM 729 O GLU A 44 3.973 4.948 10.042 1.00 0.00 O ATOM 730 CB GLU A 44 6.124 7.226 11.495 1.00 0.00 C ATOM 731 CG GLU A 44 6.240 6.293 12.715 1.00 0.00 C ATOM 732 CD GLU A 44 5.025 6.320 13.633 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.473 7.426 13.818 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.707 5.236 14.164 1.00 0.00 O ATOM 0 H GLU A 44 6.697 8.162 9.323 1.00 0.00 H new ATOM 0 HA GLU A 44 6.325 5.517 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.057 7.777 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.341 7.961 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.396 5.272 12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.123 6.571 13.290 1.00 0.00 H new ATOM 741 N VAL A 45 3.517 7.106 9.634 1.00 0.00 N ATOM 742 CA VAL A 45 2.132 6.885 9.255 1.00 0.00 C ATOM 743 C VAL A 45 1.998 5.810 8.164 1.00 0.00 C ATOM 744 O VAL A 45 1.047 5.037 8.181 1.00 0.00 O ATOM 745 CB VAL A 45 1.485 8.220 8.852 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.509 9.215 10.020 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.139 8.856 7.620 1.00 0.00 C ATOM 0 H VAL A 45 3.801 8.085 9.600 1.00 0.00 H new ATOM 0 HA VAL A 45 1.592 6.495 10.118 1.00 0.00 H new ATOM 0 HB VAL A 45 0.453 7.987 8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.046 10.152 9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.958 8.799 10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.541 9.402 10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.638 9.795 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.192 9.048 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.053 8.178 6.771 1.00 0.00 H new ATOM 757 N LEU A 46 2.949 5.724 7.227 1.00 0.00 N ATOM 758 CA LEU A 46 2.955 4.673 6.219 1.00 0.00 C ATOM 759 C LEU A 46 3.406 3.327 6.787 1.00 0.00 C ATOM 760 O LEU A 46 2.846 2.289 6.435 1.00 0.00 O ATOM 761 CB LEU A 46 3.747 5.091 4.966 1.00 0.00 C ATOM 762 CG LEU A 46 2.853 5.737 3.895 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.718 6.242 2.735 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.841 4.734 3.331 1.00 0.00 C ATOM 0 H LEU A 46 3.728 6.378 7.151 1.00 0.00 H new ATOM 0 HA LEU A 46 1.923 4.528 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.531 5.792 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.241 4.216 4.543 1.00 0.00 H new ATOM 0 HG LEU A 46 2.317 6.560 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.081 6.699 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.428 6.981 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.261 5.406 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.225 5.224 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.372 3.897 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.205 4.367 4.136 1.00 0.00 H new ATOM 776 N ARG A 47 4.405 3.331 7.669 1.00 0.00 N ATOM 777 CA ARG A 47 4.929 2.120 8.290 1.00 0.00 C ATOM 778 C ARG A 47 4.069 1.635 9.467 1.00 0.00 C ATOM 779 O ARG A 47 4.342 0.572 10.023 1.00 0.00 O ATOM 780 CB ARG A 47 6.404 2.329 8.682 1.00 0.00 C ATOM 781 CG ARG A 47 7.305 1.227 8.105 1.00 0.00 C ATOM 782 CD ARG A 47 7.002 -0.181 8.651 1.00 0.00 C ATOM 783 NE ARG A 47 7.321 -0.292 10.085 1.00 0.00 N ATOM 784 CZ ARG A 47 6.823 -1.183 10.968 1.00 0.00 C ATOM 785 NH1 ARG A 47 5.735 -1.920 10.691 1.00 0.00 N ATOM 786 NH2 ARG A 47 7.456 -1.322 12.138 1.00 0.00 N ATOM 0 H ARG A 47 4.876 4.183 7.974 1.00 0.00 H new ATOM 0 HA ARG A 47 4.882 1.316 7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.742 3.301 8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.494 2.341 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.198 1.215 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.345 1.473 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.949 -0.413 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.578 -0.919 8.092 1.00 0.00 H new ATOM 0 HE ARG A 47 7.994 0.381 10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.262 -1.814 9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.381 -2.586 11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.286 -0.764 12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.109 -1.986 12.830 1.00 0.00 H new ATOM 800 N GLU A 48 3.038 2.399 9.834 1.00 0.00 N ATOM 801 CA GLU A 48 2.213 2.180 11.014 1.00 0.00 C ATOM 802 C GLU A 48 1.619 0.773 11.033 1.00 0.00 C ATOM 803 O GLU A 48 1.732 0.057 12.021 1.00 0.00 O ATOM 804 CB GLU A 48 1.133 3.276 11.088 1.00 0.00 C ATOM 805 CG GLU A 48 1.093 3.958 12.460 1.00 0.00 C ATOM 806 CD GLU A 48 0.451 3.073 13.525 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.564 2.430 13.178 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.956 3.078 14.666 1.00 0.00 O ATOM 0 H GLU A 48 2.748 3.215 9.295 1.00 0.00 H new ATOM 0 HA GLU A 48 2.836 2.251 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.323 4.024 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.158 2.838 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.107 4.214 12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.537 4.893 12.383 1.00 0.00 H new ATOM 815 N GLN A 49 1.014 0.375 9.912 1.00 0.00 N ATOM 816 CA GLN A 49 0.473 -0.961 9.731 1.00 0.00 C ATOM 817 C GLN A 49 1.413 -1.736 8.813 1.00 0.00 C ATOM 818 O GLN A 49 2.033 -2.709 9.232 1.00 0.00 O ATOM 819 CB GLN A 49 -0.950 -0.849 9.163 1.00 0.00 C ATOM 820 CG GLN A 49 -1.954 -0.441 10.253 1.00 0.00 C ATOM 821 CD GLN A 49 -2.448 -1.645 11.055 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.790 -2.110 11.977 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.619 -2.172 10.706 1.00 0.00 N ATOM 0 H GLN A 49 0.888 0.981 9.101 1.00 0.00 H new ATOM 0 HA GLN A 49 0.403 -1.501 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.966 -0.115 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.248 -1.804 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.486 0.276 10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.805 0.062 9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.150 -1.768 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.985 -2.980 11.210 1.00 0.00 H new ATOM 832 N ALA A 50 1.517 -1.279 7.561 1.00 0.00 N ATOM 833 CA ALA A 50 2.167 -1.996 6.469 1.00 0.00 C ATOM 834 C ALA A 50 1.550 -3.386 6.237 1.00 0.00 C ATOM 835 O ALA A 50 0.712 -3.833 7.016 1.00 0.00 O ATOM 836 CB ALA A 50 3.676 -2.053 6.705 1.00 0.00 C ATOM 0 H ALA A 50 1.140 -0.375 7.276 1.00 0.00 H new ATOM 0 HA ALA A 50 1.994 -1.444 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.153 -2.590 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.075 -1.040 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.878 -2.570 7.643 1.00 0.00 H new ATOM 842 N GLY A 51 1.938 -4.047 5.138 1.00 0.00 N ATOM 843 CA GLY A 51 1.575 -5.421 4.793 1.00 0.00 C ATOM 844 C GLY A 51 0.141 -5.779 5.180 1.00 0.00 C ATOM 845 O GLY A 51 -0.094 -6.775 5.860 1.00 0.00 O ATOM 0 H GLY A 51 2.540 -3.616 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.702 -5.565 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.261 -6.107 5.290 1.00 0.00 H new ATOM 849 N GLY A 52 -0.813 -4.931 4.787 1.00 0.00 N ATOM 850 CA GLY A 52 -2.162 -4.982 5.296 1.00 0.00 C ATOM 851 C GLY A 52 -2.992 -3.898 4.619 1.00 0.00 C ATOM 852 O GLY A 52 -2.471 -3.051 3.880 1.00 0.00 O ATOM 0 H GLY A 52 -0.658 -4.191 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.598 -5.963 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.162 -4.836 6.376 1.00 0.00 H new ATOM 856 N ASP A 53 -4.298 -3.983 4.854 1.00 0.00 N ATOM 857 CA ASP A 53 -5.398 -3.233 4.260 1.00 0.00 C ATOM 858 C ASP A 53 -5.452 -1.841 4.859 1.00 0.00 C ATOM 859 O ASP A 53 -6.432 -1.419 5.470 1.00 0.00 O ATOM 860 CB ASP A 53 -6.731 -4.016 4.371 1.00 0.00 C ATOM 861 CG ASP A 53 -6.819 -4.955 5.571 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.120 -4.701 6.579 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.439 -6.030 5.442 1.00 0.00 O ATOM 0 H ASP A 53 -4.648 -4.652 5.540 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.225 -3.109 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.553 -3.302 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.872 -4.598 3.460 1.00 0.00 H new ATOM 868 N ALA A 54 -4.395 -1.074 4.584 1.00 0.00 N ATOM 869 CA ALA A 54 -4.313 0.278 5.119 1.00 0.00 C ATOM 870 C ALA A 54 -5.312 1.223 4.441 1.00 0.00 C ATOM 871 O ALA A 54 -5.469 2.359 4.886 1.00 0.00 O ATOM 872 CB ALA A 54 -2.886 0.823 5.062 1.00 0.00 C ATOM 0 H ALA A 54 -3.604 -1.360 4.008 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.593 0.223 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.866 1.834 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.228 0.182 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.545 0.843 4.027 1.00 0.00 H new ATOM 878 N THR A 55 -5.991 0.767 3.376 1.00 0.00 N ATOM 879 CA THR A 55 -7.049 1.523 2.715 1.00 0.00 C ATOM 880 C THR A 55 -8.031 2.077 3.722 1.00 0.00 C ATOM 881 O THR A 55 -8.422 3.230 3.602 1.00 0.00 O ATOM 882 CB THR A 55 -7.784 0.693 1.653 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.364 1.172 0.400 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.310 0.816 1.629 1.00 0.00 C ATOM 0 H THR A 55 -5.814 -0.144 2.952 1.00 0.00 H new ATOM 0 HA THR A 55 -6.565 2.354 2.202 1.00 0.00 H new ATOM 0 HB THR A 55 -7.547 -0.345 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.145 1.313 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.714 0.184 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.716 0.498 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.589 1.853 1.443 1.00 0.00 H new ATOM 892 N GLU A 56 -8.442 1.245 4.681 1.00 0.00 N ATOM 893 CA GLU A 56 -9.430 1.649 5.664 1.00 0.00 C ATOM 894 C GLU A 56 -8.988 2.980 6.286 1.00 0.00 C ATOM 895 O GLU A 56 -9.723 3.961 6.258 1.00 0.00 O ATOM 896 CB GLU A 56 -9.617 0.513 6.681 1.00 0.00 C ATOM 897 CG GLU A 56 -10.984 0.585 7.367 1.00 0.00 C ATOM 898 CD GLU A 56 -11.187 -0.601 8.302 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.352 -0.744 9.219 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.158 -1.352 8.066 1.00 0.00 O ATOM 0 H GLU A 56 -8.102 0.290 4.792 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.407 1.822 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.513 -0.448 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.830 0.565 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.064 1.515 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.773 0.599 6.615 1.00 0.00 H new ATOM 907 N ASN A 57 -7.730 3.033 6.732 1.00 0.00 N ATOM 908 CA ASN A 57 -7.113 4.210 7.331 1.00 0.00 C ATOM 909 C ASN A 57 -6.981 5.348 6.306 1.00 0.00 C ATOM 910 O ASN A 57 -7.389 6.483 6.548 1.00 0.00 O ATOM 911 CB ASN A 57 -5.744 3.806 7.911 1.00 0.00 C ATOM 912 CG ASN A 57 -5.495 4.411 9.289 1.00 0.00 C ATOM 913 OD1 ASN A 57 -5.682 5.603 9.497 1.00 0.00 O ATOM 914 ND2 ASN A 57 -5.059 3.590 10.242 1.00 0.00 N ATOM 0 H ASN A 57 -7.098 2.234 6.683 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.745 4.588 8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.687 2.720 7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.955 4.125 7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.871 3.949 11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.913 2.602 10.036 1.00 0.00 H new ATOM 921 N PHE A 58 -6.406 5.044 5.138 1.00 0.00 N ATOM 922 CA PHE A 58 -6.249 6.001 4.041 1.00 0.00 C ATOM 923 C PHE A 58 -7.561 6.734 3.711 1.00 0.00 C ATOM 924 O PHE A 58 -7.556 7.959 3.569 1.00 0.00 O ATOM 925 CB PHE A 58 -5.698 5.261 2.816 1.00 0.00 C ATOM 926 CG PHE A 58 -5.618 6.052 1.522 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.745 6.158 0.690 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.407 6.632 1.114 1.00 0.00 C ATOM 929 CE1 PHE A 58 -6.677 6.870 -0.517 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.320 7.315 -0.112 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.460 7.442 -0.926 1.00 0.00 C ATOM 0 H PHE A 58 -6.034 4.118 4.927 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.545 6.774 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.698 4.901 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.320 4.383 2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.672 5.687 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.535 6.553 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.559 6.978 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.379 7.741 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.400 7.977 -1.862 1.00 0.00 H new ATOM 941 N GLU A 59 -8.662 5.984 3.567 1.00 0.00 N ATOM 942 CA GLU A 59 -9.986 6.491 3.218 1.00 0.00 C ATOM 943 C GLU A 59 -10.657 7.118 4.447 1.00 0.00 C ATOM 944 O GLU A 59 -11.404 8.078 4.287 1.00 0.00 O ATOM 945 CB GLU A 59 -10.877 5.385 2.624 1.00 0.00 C ATOM 946 CG GLU A 59 -10.589 4.991 1.157 1.00 0.00 C ATOM 947 CD GLU A 59 -10.988 6.031 0.099 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.091 6.601 0.234 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.235 6.193 -0.890 1.00 0.00 O ATOM 0 H GLU A 59 -8.649 4.972 3.696 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.858 7.258 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.777 4.494 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.916 5.707 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.523 4.788 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.112 4.060 0.940 1.00 0.00 H new ATOM 956 N ASP A 60 -10.378 6.631 5.663 1.00 0.00 N ATOM 957 CA ASP A 60 -10.776 7.321 6.893 1.00 0.00 C ATOM 958 C ASP A 60 -10.279 8.774 6.830 1.00 0.00 C ATOM 959 O ASP A 60 -11.039 9.726 6.989 1.00 0.00 O ATOM 960 CB ASP A 60 -10.227 6.568 8.120 1.00 0.00 C ATOM 961 CG ASP A 60 -10.887 6.953 9.439 1.00 0.00 C ATOM 962 OD1 ASP A 60 -11.596 7.979 9.467 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.671 6.195 10.409 1.00 0.00 O ATOM 0 H ASP A 60 -9.876 5.757 5.820 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.862 7.337 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.355 5.497 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.155 6.753 8.196 1.00 0.00 H new ATOM 968 N VAL A 61 -8.994 8.944 6.490 1.00 0.00 N ATOM 969 CA VAL A 61 -8.404 10.260 6.240 1.00 0.00 C ATOM 970 C VAL A 61 -8.933 10.895 4.940 1.00 0.00 C ATOM 971 O VAL A 61 -8.914 12.114 4.786 1.00 0.00 O ATOM 972 CB VAL A 61 -6.867 10.163 6.278 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.206 11.517 5.981 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.405 9.705 7.669 1.00 0.00 C ATOM 0 H VAL A 61 -8.337 8.171 6.381 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.713 10.936 7.037 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.571 9.445 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.122 11.408 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.504 11.858 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.522 12.247 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.317 9.639 7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.738 10.424 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.832 8.727 7.890 1.00 0.00 H new ATOM 984 N GLY A 62 -9.393 10.091 3.983 1.00 0.00 N ATOM 985 CA GLY A 62 -10.008 10.565 2.752 1.00 0.00 C ATOM 986 C GLY A 62 -8.961 10.688 1.652 1.00 0.00 C ATOM 987 O GLY A 62 -9.083 10.032 0.621 1.00 0.00 O ATOM 0 H GLY A 62 -9.346 9.074 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.793 9.876 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.482 11.532 2.923 1.00 0.00 H new ATOM 991 N HIS A 63 -7.943 11.524 1.894 1.00 0.00 N ATOM 992 CA HIS A 63 -6.894 11.887 0.938 1.00 0.00 C ATOM 993 C HIS A 63 -7.440 12.661 -0.272 1.00 0.00 C ATOM 994 O HIS A 63 -8.621 12.583 -0.611 1.00 0.00 O ATOM 995 CB HIS A 63 -6.087 10.660 0.476 1.00 0.00 C ATOM 996 CG HIS A 63 -5.022 10.206 1.439 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.194 9.427 2.561 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.679 10.397 1.265 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.963 9.179 3.055 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.999 9.730 2.286 1.00 0.00 N ATOM 0 H HIS A 63 -7.825 11.983 2.797 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.219 12.554 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.776 9.834 0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.618 10.890 -0.481 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.081 9.100 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.221 10.968 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.772 8.611 3.953 1.00 0.00 H new ATOM 1008 N SER A 64 -6.574 13.432 -0.939 1.00 0.00 N ATOM 1009 CA SER A 64 -6.926 14.095 -2.188 1.00 0.00 C ATOM 1010 C SER A 64 -7.033 13.109 -3.355 1.00 0.00 C ATOM 1011 O SER A 64 -6.609 11.952 -3.290 1.00 0.00 O ATOM 1012 CB SER A 64 -5.870 15.148 -2.523 1.00 0.00 C ATOM 1013 OG SER A 64 -4.618 14.506 -2.666 1.00 0.00 O ATOM 0 H SER A 64 -5.619 13.610 -0.627 1.00 0.00 H new ATOM 0 HA SER A 64 -7.902 14.559 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.135 15.669 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.822 15.899 -1.734 1.00 0.00 H new ATOM 0 HG SER A 64 -3.909 15.180 -2.724 1.00 0.00 H new ATOM 1019 N THR A 65 -7.552 13.618 -4.475 1.00 0.00 N ATOM 1020 CA THR A 65 -7.587 12.883 -5.730 1.00 0.00 C ATOM 1021 C THR A 65 -6.173 12.765 -6.322 1.00 0.00 C ATOM 1022 O THR A 65 -5.828 11.739 -6.909 1.00 0.00 O ATOM 1023 CB THR A 65 -8.619 13.508 -6.682 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.034 12.542 -7.625 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.104 14.755 -7.408 1.00 0.00 C ATOM 0 H THR A 65 -7.958 14.552 -4.532 1.00 0.00 H new ATOM 0 HA THR A 65 -7.921 11.860 -5.556 1.00 0.00 H new ATOM 0 HB THR A 65 -9.459 13.834 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.693 12.939 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.884 15.143 -8.063 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.833 15.516 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.228 14.494 -8.002 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.324 13.782 -6.116 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.913 13.716 -6.478 1.00 0.00 C ATOM 1035 C ASP A 66 -3.310 12.443 -5.897 1.00 0.00 C ATOM 1036 O ASP A 66 -2.714 11.647 -6.617 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.159 14.947 -5.960 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.415 16.170 -6.823 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.806 16.229 -7.911 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.224 17.012 -6.379 1.00 0.00 O ATOM 0 H ASP A 66 -5.601 14.668 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.823 13.702 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.464 15.155 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.090 14.735 -5.937 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.505 12.227 -4.593 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.076 11.006 -3.925 1.00 0.00 C ATOM 1047 C ALA A 67 -3.601 9.747 -4.626 1.00 0.00 C ATOM 1048 O ALA A 67 -2.829 8.822 -4.881 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.493 11.038 -2.451 1.00 0.00 C ATOM 0 H ALA A 67 -3.965 12.896 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.988 10.960 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.167 10.120 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.031 11.895 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.578 11.121 -2.381 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.904 9.693 -4.933 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.477 8.575 -5.679 1.00 0.00 C ATOM 1057 C ARG A 68 -4.691 8.319 -6.969 1.00 0.00 C ATOM 1058 O ARG A 68 -4.251 7.195 -7.204 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.960 8.807 -6.009 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.911 8.556 -4.828 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.740 7.281 -5.044 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.899 7.229 -4.132 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.878 6.312 -4.191 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.764 5.286 -5.044 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.970 6.432 -3.430 1.00 0.00 N ATOM 0 H ARG A 68 -5.578 10.413 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.407 7.696 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.088 9.833 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.244 8.155 -6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.335 8.467 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.577 9.410 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.086 7.241 -6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.111 6.405 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.961 7.941 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.940 5.207 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.501 4.583 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.066 7.226 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.708 5.730 -3.483 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.508 9.330 -7.816 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.782 9.120 -9.062 1.00 0.00 C ATOM 1081 C GLU A 69 -2.323 8.728 -8.797 1.00 0.00 C ATOM 1082 O GLU A 69 -1.795 7.820 -9.439 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.924 10.335 -9.984 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.350 10.380 -10.556 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.537 11.495 -11.577 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.582 11.724 -12.351 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.646 12.071 -11.588 1.00 0.00 O ATOM 0 H GLU A 69 -4.844 10.281 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.228 8.276 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.713 11.251 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.197 10.277 -10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.580 9.422 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.060 10.516 -9.741 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.670 9.358 -7.819 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.296 9.032 -7.471 1.00 0.00 C ATOM 1096 C LEU A 70 -0.194 7.564 -7.036 1.00 0.00 C ATOM 1097 O LEU A 70 0.760 6.881 -7.403 1.00 0.00 O ATOM 1098 CB LEU A 70 0.236 10.021 -6.417 1.00 0.00 C ATOM 1099 CG LEU A 70 1.727 10.376 -6.575 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.616 9.141 -6.696 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.955 11.319 -7.767 1.00 0.00 C ATOM 0 H LEU A 70 -2.079 10.102 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 70 0.344 9.141 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.351 10.938 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.079 9.596 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 70 2.015 10.894 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.656 9.450 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.512 8.528 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.316 8.561 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.017 11.550 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.616 10.836 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.394 12.241 -7.614 1.00 0.00 H new ATOM 1113 N SER A 71 -1.188 7.040 -6.304 1.00 0.00 N ATOM 1114 CA SER A 71 -1.205 5.620 -5.962 1.00 0.00 C ATOM 1115 C SER A 71 -1.009 4.776 -7.220 1.00 0.00 C ATOM 1116 O SER A 71 -0.207 3.851 -7.227 1.00 0.00 O ATOM 1117 CB SER A 71 -2.467 5.207 -5.185 1.00 0.00 C ATOM 1118 OG SER A 71 -3.563 4.861 -6.013 1.00 0.00 O ATOM 0 H SER A 71 -1.979 7.574 -5.944 1.00 0.00 H new ATOM 0 HA SER A 71 -0.371 5.435 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.226 4.359 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.763 6.027 -4.530 1.00 0.00 H new ATOM 0 HG SER A 71 -3.920 5.669 -6.437 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.706 5.116 -8.305 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.628 4.393 -9.564 1.00 0.00 C ATOM 1126 C LYS A 72 -0.178 4.280 -10.050 1.00 0.00 C ATOM 1127 O LYS A 72 0.262 3.204 -10.444 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.566 5.047 -10.591 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.643 4.079 -11.098 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.086 3.130 -12.172 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.787 3.348 -13.522 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.171 2.827 -13.522 1.00 0.00 N ATOM 0 H LYS A 72 -2.346 5.910 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.968 3.367 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.045 5.916 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.980 5.409 -11.436 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.033 3.497 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.479 4.645 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.014 3.293 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.219 2.096 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.801 4.413 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.216 2.857 -14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.605 2.995 -14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.157 1.806 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.725 3.313 -12.788 1.00 0.00 H new ATOM 1146 N THR A 73 0.594 5.361 -9.963 1.00 0.00 N ATOM 1147 CA THR A 73 2.022 5.352 -10.269 1.00 0.00 C ATOM 1148 C THR A 73 2.824 4.370 -9.391 1.00 0.00 C ATOM 1149 O THR A 73 3.892 3.926 -9.804 1.00 0.00 O ATOM 1150 CB THR A 73 2.531 6.804 -10.219 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.196 7.448 -11.431 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.030 6.949 -9.968 1.00 0.00 C ATOM 0 H THR A 73 0.243 6.275 -9.676 1.00 0.00 H new ATOM 0 HA THR A 73 2.180 4.964 -11.275 1.00 0.00 H new ATOM 0 HB THR A 73 2.042 7.267 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.515 8.374 -11.408 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.295 8.006 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.284 6.494 -9.011 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.582 6.450 -10.765 1.00 0.00 H new ATOM 1160 N TYR A 74 2.320 4.002 -8.210 1.00 0.00 N ATOM 1161 CA TYR A 74 2.940 3.032 -7.310 1.00 0.00 C ATOM 1162 C TYR A 74 2.303 1.646 -7.429 1.00 0.00 C ATOM 1163 O TYR A 74 2.660 0.736 -6.679 1.00 0.00 O ATOM 1164 CB TYR A 74 2.820 3.535 -5.866 1.00 0.00 C ATOM 1165 CG TYR A 74 3.728 4.700 -5.530 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.113 4.598 -5.759 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.203 5.869 -4.949 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.935 5.725 -5.597 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.049 6.961 -4.694 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.389 6.922 -5.112 1.00 0.00 C ATOM 1171 OH TYR A 74 6.167 8.037 -5.058 1.00 0.00 O ATOM 0 H TYR A 74 1.446 4.382 -7.846 1.00 0.00 H new ATOM 0 HA TYR A 74 3.988 2.934 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.787 3.831 -5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.041 2.711 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.543 3.654 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.154 5.926 -4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.985 5.670 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.669 7.830 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 74 5.927 8.566 -4.268 1.00 0.00 H new ATOM 1181 N ILE A 75 1.338 1.476 -8.335 1.00 0.00 N ATOM 1182 CA ILE A 75 0.636 0.214 -8.481 1.00 0.00 C ATOM 1183 C ILE A 75 1.607 -0.820 -9.043 1.00 0.00 C ATOM 1184 O ILE A 75 2.232 -0.596 -10.079 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.647 0.407 -9.308 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.769 -0.513 -8.795 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.451 0.216 -10.821 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.133 -0.050 -9.311 1.00 0.00 C ATOM 0 H ILE A 75 1.029 2.205 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 75 0.294 -0.165 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.933 1.450 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.582 -1.537 -9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.771 -0.518 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.401 0.369 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.279 0.938 -11.187 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.092 -0.794 -11.017 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.910 -0.716 -8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.327 0.965 -8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.135 -0.069 -10.401 1.00 0.00 H new ATOM 1200 N ILE A 76 1.764 -1.939 -8.341 1.00 0.00 N ATOM 1201 CA ILE A 76 2.662 -3.004 -8.769 1.00 0.00 C ATOM 1202 C ILE A 76 1.857 -4.171 -9.328 1.00 0.00 C ATOM 1203 O ILE A 76 2.255 -4.767 -10.330 1.00 0.00 O ATOM 1204 CB ILE A 76 3.600 -3.412 -7.623 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.830 -4.002 -6.429 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.453 -2.205 -7.213 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.731 -4.232 -5.223 1.00 0.00 C ATOM 0 H ILE A 76 1.276 -2.131 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 76 3.301 -2.644 -9.575 1.00 0.00 H new ATOM 0 HB ILE A 76 4.258 -4.206 -7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.020 -3.328 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.372 -4.946 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.120 -2.490 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.043 -1.870 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.803 -1.396 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.144 -4.649 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.526 -4.928 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.168 -3.284 -4.909 1.00 0.00 H new ATOM 1219 N GLY A 77 0.735 -4.484 -8.677 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.124 -5.605 -8.985 1.00 0.00 C ATOM 1221 C GLY A 77 -1.342 -5.539 -8.064 1.00 0.00 C ATOM 1222 O GLY A 77 -1.685 -4.453 -7.593 1.00 0.00 O ATOM 0 H GLY A 77 0.395 -3.933 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.435 -5.571 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.410 -6.544 -8.842 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.988 -6.678 -7.800 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.302 -6.723 -7.169 1.00 0.00 C ATOM 1228 C GLU A 78 -3.421 -7.871 -6.162 1.00 0.00 C ATOM 1229 O GLU A 78 -2.439 -8.546 -5.870 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.402 -6.761 -8.247 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.374 -5.563 -9.209 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.609 -5.538 -10.102 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.563 -6.187 -11.171 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.596 -4.895 -9.695 1.00 0.00 O ATOM 0 H GLU A 78 -1.608 -7.599 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.436 -5.811 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.300 -7.680 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.375 -6.799 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.318 -4.637 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.477 -5.611 -9.827 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.614 -8.063 -5.597 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.897 -9.113 -4.625 1.00 0.00 C ATOM 1243 C LEU A 79 -5.248 -10.402 -5.367 1.00 0.00 C ATOM 1244 O LEU A 79 -6.182 -10.393 -6.166 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.052 -8.668 -3.708 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.614 -8.373 -2.266 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.253 -9.665 -1.524 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.461 -7.366 -2.196 1.00 0.00 C ATOM 0 H LEU A 79 -5.424 -7.480 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.021 -9.297 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.515 -7.775 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.815 -9.446 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.468 -7.914 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.946 -9.426 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.121 -10.324 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.434 -10.165 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.191 -7.194 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.599 -7.762 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.771 -6.425 -2.651 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.487 -11.478 -5.115 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.560 -12.766 -5.803 1.00 0.00 C ATOM 1262 C HIS A 80 -6.000 -13.199 -6.082 1.00 0.00 C ATOM 1263 O HIS A 80 -6.843 -13.083 -5.193 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.834 -13.827 -4.972 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.325 -14.993 -5.777 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.807 -16.281 -5.745 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.263 -14.967 -6.643 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.065 -17.009 -6.596 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.116 -16.252 -7.168 1.00 0.00 N ATOM 0 H HIS A 80 -3.770 -11.468 -4.389 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.073 -12.655 -6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.994 -13.359 -4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.512 -14.198 -4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.651 -14.108 -6.877 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.212 -18.061 -6.793 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.423 -16.556 -7.852 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.303 -13.746 -7.275 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.672 -14.067 -7.628 1.00 0.00 C ATOM 1279 C PRO A 81 -8.245 -15.212 -6.779 1.00 0.00 C ATOM 1280 O PRO A 81 -9.439 -15.487 -6.859 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.662 -14.375 -9.127 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.235 -14.845 -9.399 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.391 -14.133 -8.347 1.00 0.00 C ATOM 0 HA PRO A 81 -8.338 -13.231 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.391 -15.145 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.911 -13.493 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.150 -15.928 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.916 -14.583 -10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.606 -14.789 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.899 -13.258 -8.772 1.00 0.00 H new