USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 35 LYS HZ1 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 35 LYS HZ3 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 135 BTI H11 : A 135 BTI C11 : A 35 LYS NZ :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ -154:sc= 2.04 (180deg=1.18) USER MOD Set 1.2: A 72 THR OG1 : rot -76:sc= 1.99 USER MOD Set 2.1: A 7 MET CE :methyl -177:sc= 0 (180deg=-0.00283) USER MOD Set 2.2: A 36 MET CE :methyl -173:sc= 0 (180deg=-0.0374) USER MOD Single : A 2 THR OG1 : rot -13:sc= 0.0558 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.945 K(o=0.94,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.31 K(o=-0.31,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.17) USER MOD Single : A 26 GLN : amide:sc= 0.908 K(o=0.91,f=-0.24) USER MOD Single : A 33 SER OG : rot -65:sc= 1.28 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.396 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 2.52 (180deg=2.23) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 2.26 (180deg=1.9) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 1.15 (180deg=1.01) USER MOD Single : A 60 ASN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.713 K(o=0.71,f=-0.23) USER MOD Single : A 71 SER OG : rot 70:sc= 0.736 USER MOD Single : A 73 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 1.842 -1.441 3.807 1.00 0.00 N ATOM 2 CA THR A 2 1.217 -1.421 5.146 1.00 0.00 C ATOM 3 C THR A 2 0.842 -2.850 5.560 1.00 0.00 C ATOM 4 O THR A 2 1.509 -3.401 6.440 1.00 0.00 O ATOM 5 CB THR A 2 0.065 -0.402 5.244 1.00 0.00 C ATOM 6 OG1 THR A 2 -0.918 -0.629 4.259 1.00 0.00 O ATOM 7 CG2 THR A 2 0.551 1.041 5.062 1.00 0.00 C ATOM 0 HA THR A 2 1.942 -1.060 5.875 1.00 0.00 H new ATOM 0 HB THR A 2 -0.351 -0.537 6.242 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.570 -1.251 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.296 1.723 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.280 1.280 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.015 1.148 4.081 1.00 0.00 H new ATOM 17 N VAL A 3 -0.183 -3.480 4.958 1.00 0.00 N ATOM 18 CA VAL A 3 -0.408 -4.914 5.167 1.00 0.00 C ATOM 19 C VAL A 3 0.723 -5.629 4.407 1.00 0.00 C ATOM 20 O VAL A 3 1.081 -5.216 3.294 1.00 0.00 O ATOM 21 CB VAL A 3 -1.809 -5.381 4.700 1.00 0.00 C ATOM 22 CG1 VAL A 3 -2.163 -6.746 5.307 1.00 0.00 C ATOM 23 CG2 VAL A 3 -2.951 -4.423 5.080 1.00 0.00 C ATOM 0 H VAL A 3 -0.853 -3.027 4.337 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.390 -5.154 6.230 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.730 -5.421 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.151 -7.052 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.426 -7.485 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.164 -6.671 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.898 -4.823 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.993 -4.319 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.772 -3.447 4.629 1.00 0.00 H new ATOM 33 N SER A 4 1.265 -6.698 4.987 1.00 0.00 N ATOM 34 CA SER A 4 2.406 -7.436 4.461 1.00 0.00 C ATOM 35 C SER A 4 2.219 -8.926 4.745 1.00 0.00 C ATOM 36 O SER A 4 1.389 -9.325 5.568 1.00 0.00 O ATOM 37 CB SER A 4 3.697 -6.945 5.128 1.00 0.00 C ATOM 38 OG SER A 4 3.893 -5.554 4.916 1.00 0.00 O ATOM 0 H SER A 4 0.910 -7.084 5.862 1.00 0.00 H new ATOM 0 HA SER A 4 2.476 -7.273 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.656 -7.149 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.547 -7.499 4.730 1.00 0.00 H new ATOM 0 HG SER A 4 4.722 -5.270 5.354 1.00 0.00 H new ATOM 44 N ILE A 5 3.000 -9.742 4.048 1.00 0.00 N ATOM 45 CA ILE A 5 3.031 -11.184 4.176 1.00 0.00 C ATOM 46 C ILE A 5 3.892 -11.561 5.391 1.00 0.00 C ATOM 47 O ILE A 5 4.779 -10.810 5.803 1.00 0.00 O ATOM 48 CB ILE A 5 3.529 -11.753 2.824 1.00 0.00 C ATOM 49 CG1 ILE A 5 2.593 -11.371 1.652 1.00 0.00 C ATOM 50 CG2 ILE A 5 3.688 -13.274 2.877 1.00 0.00 C ATOM 51 CD1 ILE A 5 1.106 -11.666 1.887 1.00 0.00 C ATOM 0 H ILE A 5 3.656 -9.396 3.348 1.00 0.00 H new ATOM 0 HA ILE A 5 2.051 -11.620 4.370 1.00 0.00 H new ATOM 0 HB ILE A 5 4.505 -11.302 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.709 -10.307 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.917 -11.905 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.039 -13.637 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.412 -13.538 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.727 -13.732 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.532 -11.364 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.970 -12.734 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.758 -11.110 2.758 1.00 0.00 H new ATOM 63 N GLN A 6 3.629 -12.741 5.963 1.00 0.00 N ATOM 64 CA GLN A 6 4.182 -13.195 7.241 1.00 0.00 C ATOM 65 C GLN A 6 4.857 -14.575 7.136 1.00 0.00 C ATOM 66 O GLN A 6 5.293 -15.119 8.149 1.00 0.00 O ATOM 67 CB GLN A 6 3.056 -13.177 8.293 1.00 0.00 C ATOM 68 CG GLN A 6 1.968 -14.241 8.050 1.00 0.00 C ATOM 69 CD GLN A 6 0.737 -13.993 8.920 1.00 0.00 C ATOM 70 OE1 GLN A 6 0.695 -14.347 10.096 1.00 0.00 O ATOM 71 NE2 GLN A 6 -0.290 -13.372 8.360 1.00 0.00 N ATOM 0 H GLN A 6 3.006 -13.426 5.535 1.00 0.00 H new ATOM 0 HA GLN A 6 4.976 -12.514 7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.490 -13.332 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.593 -12.190 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.679 -14.234 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.372 -15.231 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.241 -13.084 7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.130 -13.182 8.906 1.00 0.00 H new ATOM 80 N MET A 7 4.925 -15.158 5.935 1.00 0.00 N ATOM 81 CA MET A 7 5.481 -16.486 5.691 1.00 0.00 C ATOM 82 C MET A 7 5.976 -16.558 4.241 1.00 0.00 C ATOM 83 O MET A 7 5.464 -15.860 3.367 1.00 0.00 O ATOM 84 CB MET A 7 4.386 -17.524 6.010 1.00 0.00 C ATOM 85 CG MET A 7 4.723 -18.968 5.637 1.00 0.00 C ATOM 86 SD MET A 7 6.300 -19.641 6.221 1.00 0.00 S ATOM 87 CE MET A 7 6.218 -21.217 5.327 1.00 0.00 C ATOM 0 H MET A 7 4.585 -14.705 5.086 1.00 0.00 H new ATOM 0 HA MET A 7 6.339 -16.698 6.329 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.170 -17.483 7.078 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.473 -17.236 5.489 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.925 -19.607 6.015 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.707 -19.046 4.550 1.00 0.00 H new ATOM 0 HE1 MET A 7 7.083 -21.828 5.587 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.305 -21.745 5.603 1.00 0.00 H new ATOM 0 HE3 MET A 7 6.217 -21.027 4.254 1.00 0.00 H new ATOM 97 N ALA A 8 6.996 -17.380 3.989 1.00 0.00 N ATOM 98 CA ALA A 8 7.498 -17.689 2.662 1.00 0.00 C ATOM 99 C ALA A 8 6.430 -18.423 1.858 1.00 0.00 C ATOM 100 O ALA A 8 5.776 -19.332 2.377 1.00 0.00 O ATOM 101 CB ALA A 8 8.781 -18.512 2.799 1.00 0.00 C ATOM 0 H ALA A 8 7.507 -17.860 4.730 1.00 0.00 H new ATOM 0 HA ALA A 8 7.734 -16.773 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.168 -18.750 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.525 -17.937 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.565 -19.436 3.336 1.00 0.00 H new ATOM 107 N GLY A 9 6.252 -18.050 0.593 1.00 0.00 N ATOM 108 CA GLY A 9 5.228 -18.681 -0.221 1.00 0.00 C ATOM 109 C GLY A 9 5.003 -18.012 -1.566 1.00 0.00 C ATOM 110 O GLY A 9 5.832 -17.258 -2.080 1.00 0.00 O ATOM 0 H GLY A 9 6.795 -17.327 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.502 -19.723 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.289 -18.683 0.333 1.00 0.00 H new ATOM 114 N ASN A 10 3.839 -18.311 -2.130 1.00 0.00 N ATOM 115 CA ASN A 10 3.368 -17.858 -3.426 1.00 0.00 C ATOM 116 C ASN A 10 1.937 -17.407 -3.193 1.00 0.00 C ATOM 117 O ASN A 10 1.164 -18.094 -2.523 1.00 0.00 O ATOM 118 CB ASN A 10 3.436 -18.997 -4.451 1.00 0.00 C ATOM 119 CG ASN A 10 4.875 -19.434 -4.693 1.00 0.00 C ATOM 120 OD1 ASN A 10 5.584 -18.843 -5.502 1.00 0.00 O ATOM 121 ND2 ASN A 10 5.348 -20.446 -3.982 1.00 0.00 N ATOM 0 H ASN A 10 3.160 -18.913 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 10 3.979 -17.051 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.850 -19.845 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.989 -18.672 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.316 -20.746 -4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.745 -20.926 -3.314 1.00 0.00 H new ATOM 128 N LEU A 11 1.575 -16.244 -3.724 1.00 0.00 N ATOM 129 CA LEU A 11 0.328 -15.562 -3.418 1.00 0.00 C ATOM 130 C LEU A 11 -0.820 -16.144 -4.248 1.00 0.00 C ATOM 131 O LEU A 11 -1.337 -15.496 -5.157 1.00 0.00 O ATOM 132 CB LEU A 11 0.559 -14.057 -3.607 1.00 0.00 C ATOM 133 CG LEU A 11 -0.476 -13.173 -2.894 1.00 0.00 C ATOM 134 CD1 LEU A 11 -0.374 -13.296 -1.365 1.00 0.00 C ATOM 135 CD2 LEU A 11 -0.207 -11.717 -3.284 1.00 0.00 C ATOM 0 H LEU A 11 2.156 -15.740 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 11 0.022 -15.718 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.553 -13.803 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.545 -13.828 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.473 -13.495 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.122 -12.656 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.547 -14.331 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.620 -12.988 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.930 -11.068 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.801 -11.438 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.300 -11.607 -4.364 1.00 0.00 H new ATOM 147 N TRP A 12 -1.141 -17.408 -3.967 1.00 0.00 N ATOM 148 CA TRP A 12 -2.107 -18.291 -4.615 1.00 0.00 C ATOM 149 C TRP A 12 -3.318 -17.547 -5.177 1.00 0.00 C ATOM 150 O TRP A 12 -3.618 -17.725 -6.359 1.00 0.00 O ATOM 151 CB TRP A 12 -2.483 -19.366 -3.579 1.00 0.00 C ATOM 152 CG TRP A 12 -3.607 -20.338 -3.809 1.00 0.00 C ATOM 153 CD1 TRP A 12 -4.350 -20.533 -4.924 1.00 0.00 C ATOM 154 CD2 TRP A 12 -4.153 -21.270 -2.830 1.00 0.00 C ATOM 155 NE1 TRP A 12 -5.314 -21.492 -4.695 1.00 0.00 N ATOM 156 CE2 TRP A 12 -5.267 -21.953 -3.400 1.00 0.00 C ATOM 157 CE3 TRP A 12 -3.815 -21.594 -1.503 1.00 0.00 C ATOM 158 CZ2 TRP A 12 -6.039 -22.872 -2.673 1.00 0.00 C ATOM 159 CZ3 TRP A 12 -4.576 -22.514 -0.767 1.00 0.00 C ATOM 160 CH2 TRP A 12 -5.692 -23.146 -1.340 1.00 0.00 C ATOM 0 H TRP A 12 -0.679 -17.888 -3.195 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.665 -18.754 -5.497 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.586 -19.959 -3.403 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.706 -18.842 -2.650 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.208 -20.012 -5.859 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.978 -21.818 -5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.956 -21.127 -1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.886 -23.361 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.301 -22.739 0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.281 -23.840 -0.758 1.00 0.00 H new ATOM 171 N LYS A 13 -3.985 -16.704 -4.383 1.00 0.00 N ATOM 172 CA LYS A 13 -5.092 -15.870 -4.847 1.00 0.00 C ATOM 173 C LYS A 13 -5.013 -14.510 -4.179 1.00 0.00 C ATOM 174 O LYS A 13 -4.408 -14.370 -3.116 1.00 0.00 O ATOM 175 CB LYS A 13 -6.454 -16.546 -4.609 1.00 0.00 C ATOM 176 CG LYS A 13 -6.727 -17.652 -5.645 1.00 0.00 C ATOM 177 CD LYS A 13 -8.130 -18.264 -5.557 1.00 0.00 C ATOM 178 CE LYS A 13 -8.307 -19.011 -4.231 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.596 -19.748 -4.162 1.00 0.00 N ATOM 0 H LYS A 13 -3.769 -16.582 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.003 -15.736 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.479 -16.972 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.245 -15.798 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.584 -17.241 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.989 -18.444 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.882 -17.479 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.288 -18.948 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.483 -19.713 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.254 -18.300 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.668 -20.236 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.385 -19.077 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.638 -20.447 -4.931 1.00 0.00 H new ATOM 193 N VAL A 14 -5.647 -13.522 -4.804 1.00 0.00 N ATOM 194 CA VAL A 14 -5.751 -12.147 -4.340 1.00 0.00 C ATOM 195 C VAL A 14 -7.216 -11.756 -4.547 1.00 0.00 C ATOM 196 O VAL A 14 -7.857 -12.195 -5.507 1.00 0.00 O ATOM 197 CB VAL A 14 -4.744 -11.258 -5.104 1.00 0.00 C ATOM 198 CG1 VAL A 14 -4.907 -9.765 -4.789 1.00 0.00 C ATOM 199 CG2 VAL A 14 -3.305 -11.645 -4.738 1.00 0.00 C ATOM 0 H VAL A 14 -6.126 -13.669 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.492 -12.020 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.947 -11.422 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.173 -9.192 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.911 -9.442 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.753 -9.599 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.607 -11.010 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.154 -11.513 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.130 -12.688 -5.003 1.00 0.00 H new ATOM 209 N HIS A 15 -7.733 -10.939 -3.632 1.00 0.00 N ATOM 210 CA HIS A 15 -9.154 -10.609 -3.501 1.00 0.00 C ATOM 211 C HIS A 15 -9.359 -9.105 -3.259 1.00 0.00 C ATOM 212 O HIS A 15 -10.418 -8.685 -2.789 1.00 0.00 O ATOM 213 CB HIS A 15 -9.768 -11.460 -2.371 1.00 0.00 C ATOM 214 CG HIS A 15 -9.487 -12.939 -2.494 1.00 0.00 C ATOM 215 ND1 HIS A 15 -9.979 -13.794 -3.456 1.00 0.00 N ATOM 216 CD2 HIS A 15 -8.630 -13.666 -1.712 1.00 0.00 C ATOM 217 CE1 HIS A 15 -9.427 -15.002 -3.256 1.00 0.00 C ATOM 218 NE2 HIS A 15 -8.591 -14.974 -2.204 1.00 0.00 N ATOM 0 H HIS A 15 -7.154 -10.470 -2.935 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.665 -10.844 -4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.384 -11.106 -1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.847 -11.305 -2.359 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.645 -13.552 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.079 -13.293 -0.861 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.627 -15.876 -3.858 1.00 0.00 H new ATOM 226 N VAL A 16 -8.349 -8.292 -3.577 1.00 0.00 N ATOM 227 CA VAL A 16 -8.346 -6.839 -3.447 1.00 0.00 C ATOM 228 C VAL A 16 -7.863 -6.205 -4.749 1.00 0.00 C ATOM 229 O VAL A 16 -7.201 -6.855 -5.562 1.00 0.00 O ATOM 230 CB VAL A 16 -7.463 -6.397 -2.259 1.00 0.00 C ATOM 231 CG1 VAL A 16 -8.226 -6.558 -0.946 1.00 0.00 C ATOM 232 CG2 VAL A 16 -6.116 -7.136 -2.171 1.00 0.00 C ATOM 0 H VAL A 16 -7.470 -8.650 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.363 -6.501 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.227 -5.348 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.593 -6.243 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.125 -5.943 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.505 -7.603 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.555 -6.769 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.294 -8.205 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.543 -6.958 -3.081 1.00 0.00 H new ATOM 242 N LYS A 17 -8.173 -4.919 -4.920 1.00 0.00 N ATOM 243 CA LYS A 17 -7.651 -4.066 -5.980 1.00 0.00 C ATOM 244 C LYS A 17 -7.625 -2.633 -5.462 1.00 0.00 C ATOM 245 O LYS A 17 -8.292 -2.327 -4.472 1.00 0.00 O ATOM 246 CB LYS A 17 -8.463 -4.213 -7.285 1.00 0.00 C ATOM 247 CG LYS A 17 -10.002 -4.210 -7.186 1.00 0.00 C ATOM 248 CD LYS A 17 -10.613 -2.805 -7.047 1.00 0.00 C ATOM 249 CE LYS A 17 -12.146 -2.830 -6.951 1.00 0.00 C ATOM 250 NZ LYS A 17 -12.805 -3.255 -8.214 1.00 0.00 N ATOM 0 H LYS A 17 -8.818 -4.429 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.637 -4.370 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.170 -3.403 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.161 -5.145 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.415 -4.689 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.303 -4.813 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.206 -2.323 -6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.317 -2.199 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.442 -3.506 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.503 -1.837 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.837 -3.251 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.549 -2.597 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.491 -4.214 -8.464 1.00 0.00 H new ATOM 264 N ALA A 18 -6.880 -1.758 -6.136 1.00 0.00 N ATOM 265 CA ALA A 18 -6.873 -0.329 -5.856 1.00 0.00 C ATOM 266 C ALA A 18 -8.308 0.204 -5.898 1.00 0.00 C ATOM 267 O ALA A 18 -8.994 0.078 -6.914 1.00 0.00 O ATOM 268 CB ALA A 18 -5.975 0.396 -6.867 1.00 0.00 C ATOM 0 H ALA A 18 -6.259 -2.027 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.469 -0.147 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.974 1.465 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.958 0.010 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.354 0.229 -7.875 1.00 0.00 H new ATOM 274 N GLY A 19 -8.751 0.783 -4.785 1.00 0.00 N ATOM 275 CA GLY A 19 -10.063 1.389 -4.607 1.00 0.00 C ATOM 276 C GLY A 19 -11.040 0.502 -3.831 1.00 0.00 C ATOM 277 O GLY A 19 -12.147 0.956 -3.538 1.00 0.00 O ATOM 0 H GLY A 19 -8.176 0.844 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.949 2.338 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.487 1.615 -5.585 1.00 0.00 H new ATOM 281 N ASP A 20 -10.684 -0.748 -3.509 1.00 0.00 N ATOM 282 CA ASP A 20 -11.600 -1.672 -2.835 1.00 0.00 C ATOM 283 C ASP A 20 -11.701 -1.358 -1.341 1.00 0.00 C ATOM 284 O ASP A 20 -10.684 -1.139 -0.683 1.00 0.00 O ATOM 285 CB ASP A 20 -11.145 -3.122 -3.036 1.00 0.00 C ATOM 286 CG ASP A 20 -12.177 -4.124 -2.493 1.00 0.00 C ATOM 287 OD1 ASP A 20 -13.393 -3.922 -2.716 1.00 0.00 O ATOM 288 OD2 ASP A 20 -11.765 -5.152 -1.913 1.00 0.00 O ATOM 0 H ASP A 20 -9.764 -1.142 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.587 -1.545 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.981 -3.308 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.190 -3.276 -2.534 1.00 0.00 H new ATOM 293 N GLN A 21 -12.921 -1.336 -0.802 1.00 0.00 N ATOM 294 CA GLN A 21 -13.194 -1.179 0.624 1.00 0.00 C ATOM 295 C GLN A 21 -12.923 -2.531 1.304 1.00 0.00 C ATOM 296 O GLN A 21 -13.392 -3.558 0.807 1.00 0.00 O ATOM 297 CB GLN A 21 -14.667 -0.730 0.775 1.00 0.00 C ATOM 298 CG GLN A 21 -15.030 -0.031 2.094 1.00 0.00 C ATOM 299 CD GLN A 21 -14.852 -0.903 3.332 1.00 0.00 C ATOM 300 OE1 GLN A 21 -15.512 -1.925 3.503 1.00 0.00 O ATOM 301 NE2 GLN A 21 -13.941 -0.528 4.209 1.00 0.00 N ATOM 0 H GLN A 21 -13.768 -1.430 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.559 -0.428 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.906 -0.056 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.306 -1.606 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.414 0.862 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.067 0.301 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.402 0.323 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.776 -1.089 5.044 1.00 0.00 H new ATOM 310 N ILE A 22 -12.212 -2.542 2.436 1.00 0.00 N ATOM 311 CA ILE A 22 -11.885 -3.757 3.184 1.00 0.00 C ATOM 312 C ILE A 22 -12.099 -3.547 4.679 1.00 0.00 C ATOM 313 O ILE A 22 -12.173 -2.417 5.168 1.00 0.00 O ATOM 314 CB ILE A 22 -10.451 -4.246 2.876 1.00 0.00 C ATOM 315 CG1 ILE A 22 -9.373 -3.251 3.362 1.00 0.00 C ATOM 316 CG2 ILE A 22 -10.292 -4.574 1.383 1.00 0.00 C ATOM 317 CD1 ILE A 22 -7.952 -3.797 3.202 1.00 0.00 C ATOM 0 H ILE A 22 -11.842 -1.693 2.864 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.566 -4.543 2.858 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.295 -5.166 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.465 -2.320 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.551 -3.012 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.275 -4.916 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.996 -5.358 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.492 -3.681 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.236 -3.057 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.847 -4.713 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.760 -4.010 2.150 1.00 0.00 H new ATOM 329 N GLU A 23 -12.172 -4.643 5.422 1.00 0.00 N ATOM 330 CA GLU A 23 -12.571 -4.654 6.814 1.00 0.00 C ATOM 331 C GLU A 23 -11.662 -5.655 7.526 1.00 0.00 C ATOM 332 O GLU A 23 -11.299 -6.673 6.934 1.00 0.00 O ATOM 333 CB GLU A 23 -14.065 -5.008 6.866 1.00 0.00 C ATOM 334 CG GLU A 23 -14.592 -5.082 8.300 1.00 0.00 C ATOM 335 CD GLU A 23 -16.113 -5.311 8.337 1.00 0.00 C ATOM 336 OE1 GLU A 23 -16.563 -6.478 8.279 1.00 0.00 O ATOM 337 OE2 GLU A 23 -16.880 -4.327 8.445 1.00 0.00 O ATOM 0 H GLU A 23 -11.949 -5.570 5.060 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.459 -3.694 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.633 -4.262 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.227 -5.966 6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.089 -5.890 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.350 -4.158 8.825 1.00 0.00 H new ATOM 344 N LYS A 24 -11.258 -5.359 8.766 1.00 0.00 N ATOM 345 CA LYS A 24 -10.375 -6.219 9.554 1.00 0.00 C ATOM 346 C LYS A 24 -10.918 -7.650 9.539 1.00 0.00 C ATOM 347 O LYS A 24 -12.083 -7.874 9.877 1.00 0.00 O ATOM 348 CB LYS A 24 -10.251 -5.667 10.986 1.00 0.00 C ATOM 349 CG LYS A 24 -9.280 -6.496 11.852 1.00 0.00 C ATOM 350 CD LYS A 24 -9.228 -6.017 13.313 1.00 0.00 C ATOM 351 CE LYS A 24 -8.479 -4.691 13.526 1.00 0.00 C ATOM 352 NZ LYS A 24 -7.004 -4.858 13.565 1.00 0.00 N ATOM 0 H LYS A 24 -11.538 -4.508 9.253 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.375 -6.232 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.906 -4.634 10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.235 -5.657 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.582 -7.543 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.280 -6.443 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.248 -5.906 13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.752 -6.789 13.918 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.740 -4.000 12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.813 -4.237 14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.567 -3.993 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.762 -5.663 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.649 -5.035 12.604 1.00 0.00 H new ATOM 366 N GLY A 25 -10.076 -8.612 9.160 1.00 0.00 N ATOM 367 CA GLY A 25 -10.444 -10.023 9.136 1.00 0.00 C ATOM 368 C GLY A 25 -11.111 -10.469 7.829 1.00 0.00 C ATOM 369 O GLY A 25 -11.408 -11.656 7.697 1.00 0.00 O ATOM 0 H GLY A 25 -9.118 -8.431 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.550 -10.624 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.121 -10.226 9.966 1.00 0.00 H new ATOM 373 N GLN A 26 -11.346 -9.575 6.860 1.00 0.00 N ATOM 374 CA GLN A 26 -11.772 -9.958 5.521 1.00 0.00 C ATOM 375 C GLN A 26 -10.560 -10.584 4.837 1.00 0.00 C ATOM 376 O GLN A 26 -9.454 -10.064 4.965 1.00 0.00 O ATOM 377 CB GLN A 26 -12.230 -8.716 4.736 1.00 0.00 C ATOM 378 CG GLN A 26 -12.902 -9.069 3.397 1.00 0.00 C ATOM 379 CD GLN A 26 -12.728 -7.951 2.373 1.00 0.00 C ATOM 380 OE1 GLN A 26 -13.407 -6.929 2.426 1.00 0.00 O ATOM 381 NE2 GLN A 26 -11.810 -8.113 1.432 1.00 0.00 N ATOM 0 H GLN A 26 -11.244 -8.568 6.989 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.608 -10.657 5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.927 -8.143 5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.370 -8.074 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.474 -9.992 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.964 -9.254 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.255 -8.968 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.658 -7.382 0.737 1.00 0.00 H new ATOM 390 N GLU A 27 -10.755 -11.661 4.084 1.00 0.00 N ATOM 391 CA GLU A 27 -9.724 -12.214 3.216 1.00 0.00 C ATOM 392 C GLU A 27 -9.325 -11.142 2.196 1.00 0.00 C ATOM 393 O GLU A 27 -10.198 -10.507 1.595 1.00 0.00 O ATOM 394 CB GLU A 27 -10.275 -13.469 2.518 1.00 0.00 C ATOM 395 CG GLU A 27 -9.182 -14.338 1.879 1.00 0.00 C ATOM 396 CD GLU A 27 -8.516 -15.246 2.924 1.00 0.00 C ATOM 397 OE1 GLU A 27 -7.720 -14.734 3.739 1.00 0.00 O ATOM 398 OE2 GLU A 27 -8.833 -16.459 2.948 1.00 0.00 O ATOM 0 H GLU A 27 -11.635 -12.176 4.059 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.842 -12.502 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.827 -14.067 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.985 -13.166 1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.615 -14.948 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.430 -13.699 1.415 1.00 0.00 H new ATOM 405 N VAL A 28 -8.024 -10.956 1.972 1.00 0.00 N ATOM 406 CA VAL A 28 -7.505 -10.083 0.926 1.00 0.00 C ATOM 407 C VAL A 28 -6.538 -10.848 0.015 1.00 0.00 C ATOM 408 O VAL A 28 -6.447 -10.514 -1.165 1.00 0.00 O ATOM 409 CB VAL A 28 -6.920 -8.788 1.532 1.00 0.00 C ATOM 410 CG1 VAL A 28 -8.026 -7.944 2.185 1.00 0.00 C ATOM 411 CG2 VAL A 28 -5.845 -9.027 2.598 1.00 0.00 C ATOM 0 H VAL A 28 -7.295 -11.414 2.519 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.322 -9.759 0.282 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.460 -8.273 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.591 -7.037 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.770 -7.676 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.502 -8.520 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.485 -8.069 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.270 -9.603 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.014 -9.580 2.159 1.00 0.00 H new ATOM 421 N ALA A 29 -5.897 -11.924 0.484 1.00 0.00 N ATOM 422 CA ALA A 29 -5.128 -12.835 -0.354 1.00 0.00 C ATOM 423 C ALA A 29 -5.038 -14.207 0.321 1.00 0.00 C ATOM 424 O ALA A 29 -5.520 -14.392 1.438 1.00 0.00 O ATOM 425 CB ALA A 29 -3.739 -12.242 -0.626 1.00 0.00 C ATOM 0 H ALA A 29 -5.901 -12.185 1.470 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.627 -12.968 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.168 -12.927 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.846 -11.285 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.216 -12.093 0.319 1.00 0.00 H new ATOM 431 N ILE A 30 -4.405 -15.171 -0.345 1.00 0.00 N ATOM 432 CA ILE A 30 -4.088 -16.482 0.217 1.00 0.00 C ATOM 433 C ILE A 30 -2.662 -16.831 -0.200 1.00 0.00 C ATOM 434 O ILE A 30 -2.255 -16.541 -1.328 1.00 0.00 O ATOM 435 CB ILE A 30 -5.076 -17.576 -0.267 1.00 0.00 C ATOM 436 CG1 ILE A 30 -6.556 -17.173 -0.090 1.00 0.00 C ATOM 437 CG2 ILE A 30 -4.788 -18.894 0.482 1.00 0.00 C ATOM 438 CD1 ILE A 30 -7.546 -18.220 -0.615 1.00 0.00 C ATOM 0 H ILE A 30 -4.092 -15.060 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.178 -16.441 1.302 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.917 -17.707 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.752 -16.999 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.731 -16.229 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.481 -19.664 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.765 -19.212 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.914 -18.739 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.565 -17.868 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.378 -18.378 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.399 -19.159 -0.081 1.00 0.00 H new ATOM 450 N LEU A 31 -1.924 -17.478 0.702 1.00 0.00 N ATOM 451 CA LEU A 31 -0.637 -18.087 0.423 1.00 0.00 C ATOM 452 C LEU A 31 -0.866 -19.563 0.159 1.00 0.00 C ATOM 453 O LEU A 31 -1.465 -20.270 0.978 1.00 0.00 O ATOM 454 CB LEU A 31 0.293 -17.990 1.636 1.00 0.00 C ATOM 455 CG LEU A 31 0.812 -16.583 1.924 1.00 0.00 C ATOM 456 CD1 LEU A 31 1.664 -16.657 3.196 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.635 -16.011 0.767 1.00 0.00 C ATOM 0 H LEU A 31 -2.219 -17.592 1.672 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.186 -17.574 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.238 -18.355 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.144 -18.653 1.480 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.037 -15.912 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.052 -15.666 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.051 -17.013 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.495 -17.344 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.979 -15.009 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.496 -16.653 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.017 -15.962 -0.130 1.00 0.00 H new ATOM 469 N GLU A 32 -0.311 -20.025 -0.954 1.00 0.00 N ATOM 470 CA GLU A 32 0.353 -21.309 -0.969 1.00 0.00 C ATOM 471 C GLU A 32 1.700 -21.056 -0.301 1.00 0.00 C ATOM 472 O GLU A 32 2.307 -20.002 -0.494 1.00 0.00 O ATOM 473 CB GLU A 32 0.509 -21.778 -2.426 1.00 0.00 C ATOM 474 CG GLU A 32 1.432 -22.994 -2.631 1.00 0.00 C ATOM 475 CD GLU A 32 2.814 -22.606 -3.194 1.00 0.00 C ATOM 476 OE1 GLU A 32 3.703 -22.174 -2.424 1.00 0.00 O ATOM 477 OE2 GLU A 32 3.015 -22.740 -4.421 1.00 0.00 O ATOM 0 H GLU A 32 -0.310 -19.531 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.197 -22.093 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.478 -22.021 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.893 -20.947 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.564 -23.509 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.952 -23.698 -3.311 1.00 0.00 H new ATOM 484 N SER A 33 2.165 -22.024 0.471 1.00 0.00 N ATOM 485 CA SER A 33 3.443 -21.975 1.140 1.00 0.00 C ATOM 486 C SER A 33 4.045 -23.363 1.012 1.00 0.00 C ATOM 487 O SER A 33 3.909 -24.196 1.906 1.00 0.00 O ATOM 488 CB SER A 33 3.224 -21.521 2.584 1.00 0.00 C ATOM 489 OG SER A 33 3.197 -20.112 2.675 1.00 0.00 O ATOM 0 H SER A 33 1.647 -22.884 0.651 1.00 0.00 H new ATOM 0 HA SER A 33 4.139 -21.258 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.286 -21.931 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.020 -21.914 3.217 1.00 0.00 H new ATOM 0 HG SER A 33 4.076 -19.752 2.435 1.00 0.00 H new ATOM 495 N MET A 34 4.655 -23.629 -0.146 1.00 0.00 N ATOM 496 CA MET A 34 5.348 -24.877 -0.456 1.00 0.00 C ATOM 497 C MET A 34 4.467 -26.100 -0.138 1.00 0.00 C ATOM 498 O MET A 34 4.917 -27.052 0.509 1.00 0.00 O ATOM 499 CB MET A 34 6.745 -24.901 0.204 1.00 0.00 C ATOM 500 CG MET A 34 7.658 -23.743 -0.240 1.00 0.00 C ATOM 501 SD MET A 34 7.351 -22.122 0.532 1.00 0.00 S ATOM 502 CE MET A 34 8.432 -21.083 -0.487 1.00 0.00 C ATOM 0 H MET A 34 4.680 -22.960 -0.915 1.00 0.00 H new ATOM 0 HA MET A 34 5.529 -24.934 -1.529 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.626 -24.864 1.287 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.232 -25.847 -0.031 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.691 -24.027 -0.038 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.564 -23.630 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.367 -20.049 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.461 -21.430 -0.396 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.119 -21.145 -1.529 1.00 0.00 H new ATOM 512 N LYS A 35 3.200 -26.018 -0.589 1.00 0.00 N ATOM 513 CA LYS A 35 2.117 -27.000 -0.495 1.00 0.00 C ATOM 514 C LYS A 35 1.299 -26.911 0.807 1.00 0.00 C ATOM 515 O LYS A 35 0.459 -27.779 1.049 1.00 0.00 O ATOM 516 CB LYS A 35 2.551 -28.440 -0.845 1.00 0.00 C ATOM 517 CG LYS A 35 3.241 -28.533 -2.216 1.00 0.00 C ATOM 518 CD LYS A 35 3.502 -29.996 -2.593 1.00 0.00 C ATOM 519 CE LYS A 35 4.224 -30.129 -3.937 1.00 0.00 C ATOM 520 NZ LYS A 35 3.297 -29.846 -5.020 1.00 0.00 N ATOM 0 H LYS A 35 2.885 -25.178 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 35 1.422 -26.710 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.229 -28.808 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.677 -29.091 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.617 -28.062 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.183 -27.985 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.099 -30.469 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.554 -30.532 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.067 -29.440 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.629 -31.135 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.790 -29.937 -5.931 1.00 0.00 H new ATOM 532 N MET A 36 1.502 -25.862 1.619 1.00 0.00 N ATOM 533 CA MET A 36 0.660 -25.521 2.767 1.00 0.00 C ATOM 534 C MET A 36 -0.251 -24.351 2.366 1.00 0.00 C ATOM 535 O MET A 36 -0.023 -23.710 1.337 1.00 0.00 O ATOM 536 CB MET A 36 1.527 -25.146 3.981 1.00 0.00 C ATOM 537 CG MET A 36 2.486 -26.273 4.389 1.00 0.00 C ATOM 538 SD MET A 36 3.520 -25.915 5.840 1.00 0.00 S ATOM 539 CE MET A 36 4.651 -24.682 5.136 1.00 0.00 C ATOM 0 H MET A 36 2.278 -25.213 1.488 1.00 0.00 H new ATOM 0 HA MET A 36 0.053 -26.380 3.052 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.102 -24.250 3.749 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.880 -24.901 4.823 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.902 -27.171 4.591 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.137 -26.499 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.431 -24.448 5.861 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.106 -25.081 4.230 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.096 -23.775 4.894 1.00 0.00 H new ATOM 549 N GLU A 37 -1.264 -24.055 3.178 1.00 0.00 N ATOM 550 CA GLU A 37 -2.321 -23.099 2.864 1.00 0.00 C ATOM 551 C GLU A 37 -2.468 -22.126 4.034 1.00 0.00 C ATOM 552 O GLU A 37 -2.552 -22.564 5.185 1.00 0.00 O ATOM 553 CB GLU A 37 -3.629 -23.854 2.555 1.00 0.00 C ATOM 554 CG GLU A 37 -4.121 -24.847 3.624 1.00 0.00 C ATOM 555 CD GLU A 37 -5.385 -25.592 3.159 1.00 0.00 C ATOM 556 OE1 GLU A 37 -6.508 -25.065 3.330 1.00 0.00 O ATOM 557 OE2 GLU A 37 -5.273 -26.729 2.644 1.00 0.00 O ATOM 0 H GLU A 37 -1.374 -24.485 4.096 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.070 -22.520 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.415 -23.118 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.495 -24.398 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.333 -25.567 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.332 -24.312 4.550 1.00 0.00 H new ATOM 564 N ILE A 38 -2.464 -20.812 3.762 1.00 0.00 N ATOM 565 CA ILE A 38 -2.504 -19.791 4.813 1.00 0.00 C ATOM 566 C ILE A 38 -3.360 -18.607 4.319 1.00 0.00 C ATOM 567 O ILE A 38 -2.972 -17.956 3.346 1.00 0.00 O ATOM 568 CB ILE A 38 -1.079 -19.333 5.237 1.00 0.00 C ATOM 569 CG1 ILE A 38 -0.049 -20.488 5.319 1.00 0.00 C ATOM 570 CG2 ILE A 38 -1.167 -18.590 6.583 1.00 0.00 C ATOM 571 CD1 ILE A 38 1.378 -20.043 5.635 1.00 0.00 C ATOM 0 H ILE A 38 -2.433 -20.433 2.816 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.958 -20.218 5.707 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.711 -18.668 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.374 -21.194 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.047 -21.024 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.171 -18.266 6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.815 -17.720 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.578 -19.257 7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.031 -20.915 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.727 -19.362 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.395 -19.534 6.599 1.00 0.00 H new ATOM 583 N PRO A 39 -4.527 -18.330 4.933 1.00 0.00 N ATOM 584 CA PRO A 39 -5.301 -17.113 4.689 1.00 0.00 C ATOM 585 C PRO A 39 -4.451 -15.865 4.939 1.00 0.00 C ATOM 586 O PRO A 39 -3.666 -15.844 5.892 1.00 0.00 O ATOM 587 CB PRO A 39 -6.467 -17.151 5.691 1.00 0.00 C ATOM 588 CG PRO A 39 -6.611 -18.629 6.032 1.00 0.00 C ATOM 589 CD PRO A 39 -5.174 -19.136 5.956 1.00 0.00 C ATOM 0 HA PRO A 39 -5.645 -17.070 3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.251 -16.556 6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.382 -16.751 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.039 -18.775 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.260 -19.146 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.670 -19.029 6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.145 -20.194 5.697 1.00 0.00 H new ATOM 597 N ILE A 40 -4.661 -14.801 4.162 1.00 0.00 N ATOM 598 CA ILE A 40 -4.076 -13.490 4.394 1.00 0.00 C ATOM 599 C ILE A 40 -5.260 -12.532 4.470 1.00 0.00 C ATOM 600 O ILE A 40 -5.775 -12.053 3.455 1.00 0.00 O ATOM 601 CB ILE A 40 -3.040 -13.115 3.306 1.00 0.00 C ATOM 602 CG1 ILE A 40 -2.033 -14.243 2.993 1.00 0.00 C ATOM 603 CG2 ILE A 40 -2.296 -11.822 3.677 1.00 0.00 C ATOM 604 CD1 ILE A 40 -1.160 -14.696 4.174 1.00 0.00 C ATOM 0 H ILE A 40 -5.258 -14.833 3.335 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.497 -13.455 5.317 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.615 -12.953 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.585 -15.106 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.379 -13.910 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.574 -11.581 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.012 -11.006 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.774 -11.962 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.489 -15.490 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.573 -13.852 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.798 -15.067 4.976 1.00 0.00 H new ATOM 616 N VAL A 41 -5.712 -12.286 5.697 1.00 0.00 N ATOM 617 CA VAL A 41 -6.798 -11.366 5.980 1.00 0.00 C ATOM 618 C VAL A 41 -6.250 -9.945 6.170 1.00 0.00 C ATOM 619 O VAL A 41 -5.074 -9.757 6.493 1.00 0.00 O ATOM 620 CB VAL A 41 -7.615 -11.856 7.193 1.00 0.00 C ATOM 621 CG1 VAL A 41 -8.437 -13.107 6.848 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.752 -12.194 8.422 1.00 0.00 C ATOM 0 H VAL A 41 -5.325 -12.729 6.531 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.481 -11.335 5.131 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.265 -11.017 7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.000 -13.425 7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.128 -12.876 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.767 -13.908 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.394 -12.531 9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.046 -12.984 8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.204 -11.306 8.737 1.00 0.00 H new ATOM 632 N ALA A 42 -7.111 -8.943 5.971 1.00 0.00 N ATOM 633 CA ALA A 42 -6.815 -7.544 6.182 1.00 0.00 C ATOM 634 C ALA A 42 -6.483 -7.335 7.655 1.00 0.00 C ATOM 635 O ALA A 42 -7.317 -7.594 8.529 1.00 0.00 O ATOM 636 CB ALA A 42 -8.030 -6.696 5.795 1.00 0.00 C ATOM 0 H ALA A 42 -8.065 -9.101 5.647 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.968 -7.243 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.804 -5.642 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.269 -6.860 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.884 -6.981 6.410 1.00 0.00 H new ATOM 642 N ASP A 43 -5.274 -6.843 7.909 1.00 0.00 N ATOM 643 CA ASP A 43 -4.805 -6.486 9.250 1.00 0.00 C ATOM 644 C ASP A 43 -5.647 -5.371 9.877 1.00 0.00 C ATOM 645 O ASP A 43 -5.799 -5.331 11.098 1.00 0.00 O ATOM 646 CB ASP A 43 -3.330 -6.078 9.185 1.00 0.00 C ATOM 647 CG ASP A 43 -2.798 -5.614 10.551 1.00 0.00 C ATOM 648 OD1 ASP A 43 -2.648 -6.456 11.466 1.00 0.00 O ATOM 649 OD2 ASP A 43 -2.475 -4.413 10.682 1.00 0.00 O ATOM 0 H ASP A 43 -4.580 -6.678 7.180 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.913 -7.362 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.736 -6.921 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.208 -5.276 8.457 1.00 0.00 H new ATOM 654 N ARG A 44 -6.251 -4.494 9.066 1.00 0.00 N ATOM 655 CA ARG A 44 -7.220 -3.497 9.517 1.00 0.00 C ATOM 656 C ARG A 44 -8.154 -3.119 8.373 1.00 0.00 C ATOM 657 O ARG A 44 -7.838 -3.355 7.205 1.00 0.00 O ATOM 658 CB ARG A 44 -6.528 -2.242 10.089 1.00 0.00 C ATOM 659 CG ARG A 44 -5.537 -1.527 9.151 1.00 0.00 C ATOM 660 CD ARG A 44 -4.122 -2.105 9.243 1.00 0.00 C ATOM 661 NE ARG A 44 -3.129 -1.144 8.747 1.00 0.00 N ATOM 662 CZ ARG A 44 -1.848 -1.086 9.119 1.00 0.00 C ATOM 663 NH1 ARG A 44 -1.289 -2.053 9.839 1.00 0.00 N ATOM 664 NH2 ARG A 44 -1.146 -0.020 8.755 1.00 0.00 N ATOM 0 H ARG A 44 -6.075 -4.460 8.062 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.804 -3.941 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.299 -1.529 10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.996 -2.527 10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.892 -1.606 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.509 -0.466 9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.898 -2.364 10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.063 -3.026 8.664 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.445 -0.461 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.841 -2.863 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.308 -1.985 10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.588 0.720 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.164 0.059 9.021 1.00 0.00 H new ATOM 678 N SER A 45 -9.290 -2.522 8.721 1.00 0.00 N ATOM 679 CA SER A 45 -10.229 -1.945 7.777 1.00 0.00 C ATOM 680 C SER A 45 -9.607 -0.746 7.052 1.00 0.00 C ATOM 681 O SER A 45 -8.655 -0.130 7.549 1.00 0.00 O ATOM 682 CB SER A 45 -11.483 -1.523 8.555 1.00 0.00 C ATOM 683 OG SER A 45 -11.910 -2.580 9.406 1.00 0.00 O ATOM 0 H SER A 45 -9.586 -2.426 9.692 1.00 0.00 H new ATOM 0 HA SER A 45 -10.491 -2.679 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.271 -0.633 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.281 -1.261 7.860 1.00 0.00 H new ATOM 0 HG SER A 45 -12.709 -2.300 9.899 1.00 0.00 H new ATOM 689 N GLY A 46 -10.167 -0.373 5.901 1.00 0.00 N ATOM 690 CA GLY A 46 -9.732 0.791 5.146 1.00 0.00 C ATOM 691 C GLY A 46 -10.242 0.730 3.715 1.00 0.00 C ATOM 692 O GLY A 46 -11.202 0.018 3.416 1.00 0.00 O ATOM 0 H GLY A 46 -10.941 -0.877 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.096 1.699 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.643 0.844 5.147 1.00 0.00 H new ATOM 696 N ILE A 47 -9.583 1.467 2.825 1.00 0.00 N ATOM 697 CA ILE A 47 -9.776 1.375 1.387 1.00 0.00 C ATOM 698 C ILE A 47 -8.372 1.198 0.823 1.00 0.00 C ATOM 699 O ILE A 47 -7.434 1.895 1.229 1.00 0.00 O ATOM 700 CB ILE A 47 -10.528 2.605 0.819 1.00 0.00 C ATOM 701 CG1 ILE A 47 -11.914 2.730 1.497 1.00 0.00 C ATOM 702 CG2 ILE A 47 -10.667 2.487 -0.713 1.00 0.00 C ATOM 703 CD1 ILE A 47 -12.862 3.766 0.882 1.00 0.00 C ATOM 0 H ILE A 47 -8.884 2.160 3.093 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.417 0.540 1.103 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.956 3.508 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.402 1.756 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.763 2.980 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.197 3.358 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.677 2.436 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.226 1.584 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.803 3.771 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.405 4.754 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.053 3.511 -0.160 1.00 0.00 H new ATOM 715 N VAL A 48 -8.221 0.218 -0.061 1.00 0.00 N ATOM 716 CA VAL A 48 -6.956 -0.117 -0.682 1.00 0.00 C ATOM 717 C VAL A 48 -6.535 1.038 -1.582 1.00 0.00 C ATOM 718 O VAL A 48 -7.275 1.432 -2.483 1.00 0.00 O ATOM 719 CB VAL A 48 -7.100 -1.430 -1.470 1.00 0.00 C ATOM 720 CG1 VAL A 48 -5.790 -1.807 -2.175 1.00 0.00 C ATOM 721 CG2 VAL A 48 -7.494 -2.594 -0.553 1.00 0.00 C ATOM 0 H VAL A 48 -8.993 -0.374 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.184 -0.269 0.072 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.883 -1.259 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.927 -2.740 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.510 -1.016 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.001 -1.934 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.587 -3.506 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.728 -2.732 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.448 -2.373 -0.074 1.00 0.00 H new ATOM 731 N LYS A 49 -5.333 1.557 -1.354 1.00 0.00 N ATOM 732 CA LYS A 49 -4.695 2.496 -2.253 1.00 0.00 C ATOM 733 C LYS A 49 -3.989 1.694 -3.342 1.00 0.00 C ATOM 734 O LYS A 49 -4.133 2.033 -4.514 1.00 0.00 O ATOM 735 CB LYS A 49 -3.703 3.360 -1.470 1.00 0.00 C ATOM 736 CG LYS A 49 -3.185 4.521 -2.331 1.00 0.00 C ATOM 737 CD LYS A 49 -1.953 5.181 -1.704 1.00 0.00 C ATOM 738 CE LYS A 49 -2.251 5.765 -0.319 1.00 0.00 C ATOM 739 NZ LYS A 49 -1.035 6.320 0.311 1.00 0.00 N ATOM 0 H LYS A 49 -4.774 1.332 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.427 3.162 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.185 3.753 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.865 2.747 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.935 4.153 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.973 5.264 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.152 4.447 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.593 5.973 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.005 6.547 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.671 4.989 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.139 6.298 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.210 5.751 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.899 7.302 -0.003 1.00 0.00 H new ATOM 753 N GLU A 50 -3.257 0.625 -2.988 1.00 0.00 N ATOM 754 CA GLU A 50 -2.513 -0.159 -3.971 1.00 0.00 C ATOM 755 C GLU A 50 -2.348 -1.592 -3.467 1.00 0.00 C ATOM 756 O GLU A 50 -2.275 -1.807 -2.257 1.00 0.00 O ATOM 757 CB GLU A 50 -1.141 0.503 -4.207 1.00 0.00 C ATOM 758 CG GLU A 50 -0.408 -0.052 -5.436 1.00 0.00 C ATOM 759 CD GLU A 50 0.781 0.834 -5.841 1.00 0.00 C ATOM 760 OE1 GLU A 50 1.767 0.912 -5.076 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.744 1.448 -6.933 1.00 0.00 O ATOM 0 H GLU A 50 -3.168 0.289 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.056 -0.190 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.279 1.577 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.518 0.359 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.054 -1.060 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.105 -0.129 -6.271 1.00 0.00 H new ATOM 768 N VAL A 51 -2.236 -2.554 -4.385 1.00 0.00 N ATOM 769 CA VAL A 51 -1.865 -3.933 -4.087 1.00 0.00 C ATOM 770 C VAL A 51 -0.429 -4.087 -4.588 1.00 0.00 C ATOM 771 O VAL A 51 -0.142 -3.830 -5.759 1.00 0.00 O ATOM 772 CB VAL A 51 -2.839 -4.938 -4.747 1.00 0.00 C ATOM 773 CG1 VAL A 51 -2.664 -6.338 -4.142 1.00 0.00 C ATOM 774 CG2 VAL A 51 -4.317 -4.549 -4.587 1.00 0.00 C ATOM 0 H VAL A 51 -2.405 -2.389 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.927 -4.150 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.589 -4.927 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.358 -7.030 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.642 -6.679 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.868 -6.300 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.945 -5.296 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.567 -4.498 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.489 -3.576 -5.047 1.00 0.00 H new ATOM 784 N LYS A 52 0.491 -4.453 -3.693 1.00 0.00 N ATOM 785 CA LYS A 52 1.926 -4.481 -3.978 1.00 0.00 C ATOM 786 C LYS A 52 2.358 -5.781 -4.667 1.00 0.00 C ATOM 787 O LYS A 52 3.537 -5.945 -4.981 1.00 0.00 O ATOM 788 CB LYS A 52 2.694 -4.269 -2.661 1.00 0.00 C ATOM 789 CG LYS A 52 2.376 -2.943 -1.945 1.00 0.00 C ATOM 790 CD LYS A 52 2.832 -1.710 -2.737 1.00 0.00 C ATOM 791 CE LYS A 52 2.514 -0.451 -1.931 1.00 0.00 C ATOM 792 NZ LYS A 52 2.965 0.788 -2.600 1.00 0.00 N ATOM 0 H LYS A 52 0.258 -4.741 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 52 2.159 -3.678 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.469 -5.095 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.763 -4.309 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.302 -2.879 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.859 -2.939 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.902 -1.767 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.327 -1.676 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.439 -0.396 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.988 -0.523 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.511 1.609 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.998 0.873 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.704 0.754 -3.606 1.00 0.00 H new ATOM 806 N LYS A 53 1.426 -6.712 -4.887 1.00 0.00 N ATOM 807 CA LYS A 53 1.639 -8.040 -5.459 1.00 0.00 C ATOM 808 C LYS A 53 0.440 -8.369 -6.348 1.00 0.00 C ATOM 809 O LYS A 53 -0.494 -7.569 -6.452 1.00 0.00 O ATOM 810 CB LYS A 53 1.785 -9.081 -4.327 1.00 0.00 C ATOM 811 CG LYS A 53 3.036 -8.913 -3.452 1.00 0.00 C ATOM 812 CD LYS A 53 4.307 -9.290 -4.221 1.00 0.00 C ATOM 813 CE LYS A 53 5.524 -9.142 -3.317 1.00 0.00 C ATOM 814 NZ LYS A 53 6.713 -9.848 -3.843 1.00 0.00 N ATOM 0 H LYS A 53 0.446 -6.547 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 53 2.553 -8.061 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.903 -9.028 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.800 -10.077 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.108 -7.880 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.947 -9.537 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.233 -10.316 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.415 -8.651 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.757 -8.084 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.285 -9.529 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.433 -9.920 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.441 -10.802 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.103 -9.319 -4.649 1.00 0.00 H new ATOM 828 N LYS A 54 0.443 -9.550 -6.962 1.00 0.00 N ATOM 829 CA LYS A 54 -0.659 -10.064 -7.768 1.00 0.00 C ATOM 830 C LYS A 54 -0.838 -11.544 -7.469 1.00 0.00 C ATOM 831 O LYS A 54 0.054 -12.175 -6.899 1.00 0.00 O ATOM 832 CB LYS A 54 -0.387 -9.826 -9.269 1.00 0.00 C ATOM 833 CG LYS A 54 0.889 -10.522 -9.792 1.00 0.00 C ATOM 834 CD LYS A 54 1.066 -10.387 -11.313 1.00 0.00 C ATOM 835 CE LYS A 54 0.017 -11.144 -12.147 1.00 0.00 C ATOM 836 NZ LYS A 54 0.138 -12.621 -12.046 1.00 0.00 N ATOM 0 H LYS A 54 1.234 -10.192 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.579 -9.536 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.243 -10.179 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.303 -8.754 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.759 -10.097 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.854 -11.579 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.029 -9.330 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.058 -10.749 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.980 -10.845 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.113 -10.849 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.426 -13.068 -12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.136 -12.896 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.211 -12.935 -11.118 1.00 0.00 H new ATOM 850 N GLU A 55 -1.974 -12.096 -7.890 1.00 0.00 N ATOM 851 CA GLU A 55 -2.225 -13.530 -7.892 1.00 0.00 C ATOM 852 C GLU A 55 -1.034 -14.241 -8.547 1.00 0.00 C ATOM 853 O GLU A 55 -0.669 -13.932 -9.685 1.00 0.00 O ATOM 854 CB GLU A 55 -3.544 -13.769 -8.645 1.00 0.00 C ATOM 855 CG GLU A 55 -3.946 -15.245 -8.719 1.00 0.00 C ATOM 856 CD GLU A 55 -5.277 -15.431 -9.468 1.00 0.00 C ATOM 857 OE1 GLU A 55 -6.351 -15.157 -8.885 1.00 0.00 O ATOM 858 OE2 GLU A 55 -5.264 -15.859 -10.645 1.00 0.00 O ATOM 0 H GLU A 55 -2.757 -11.547 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.325 -13.933 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.340 -13.208 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.452 -13.374 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.162 -15.812 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.035 -15.650 -7.711 1.00 0.00 H new ATOM 865 N GLY A 56 -0.414 -15.164 -7.813 1.00 0.00 N ATOM 866 CA GLY A 56 0.668 -16.006 -8.293 1.00 0.00 C ATOM 867 C GLY A 56 2.059 -15.387 -8.120 1.00 0.00 C ATOM 868 O GLY A 56 3.035 -16.031 -8.507 1.00 0.00 O ATOM 0 H GLY A 56 -0.662 -15.348 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.636 -16.958 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.506 -16.222 -9.349 1.00 0.00 H new ATOM 872 N ASP A 57 2.185 -14.171 -7.569 1.00 0.00 N ATOM 873 CA ASP A 57 3.501 -13.584 -7.299 1.00 0.00 C ATOM 874 C ASP A 57 4.206 -14.372 -6.186 1.00 0.00 C ATOM 875 O ASP A 57 3.555 -15.016 -5.357 1.00 0.00 O ATOM 876 CB ASP A 57 3.395 -12.097 -6.921 1.00 0.00 C ATOM 877 CG ASP A 57 4.657 -11.287 -7.279 1.00 0.00 C ATOM 878 OD1 ASP A 57 5.755 -11.861 -7.455 1.00 0.00 O ATOM 879 OD2 ASP A 57 4.533 -10.051 -7.422 1.00 0.00 O ATOM 0 H ASP A 57 1.397 -13.580 -7.304 1.00 0.00 H new ATOM 0 HA ASP A 57 4.091 -13.646 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.535 -11.660 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.209 -12.013 -5.850 1.00 0.00 H new ATOM 884 N PHE A 58 5.533 -14.303 -6.139 1.00 0.00 N ATOM 885 CA PHE A 58 6.325 -14.847 -5.045 1.00 0.00 C ATOM 886 C PHE A 58 6.285 -13.848 -3.892 1.00 0.00 C ATOM 887 O PHE A 58 6.278 -12.632 -4.121 1.00 0.00 O ATOM 888 CB PHE A 58 7.765 -15.079 -5.514 1.00 0.00 C ATOM 889 CG PHE A 58 8.664 -15.678 -4.447 1.00 0.00 C ATOM 890 CD1 PHE A 58 8.582 -17.053 -4.149 1.00 0.00 C ATOM 891 CD2 PHE A 58 9.566 -14.862 -3.733 1.00 0.00 C ATOM 892 CE1 PHE A 58 9.404 -17.611 -3.155 1.00 0.00 C ATOM 893 CE2 PHE A 58 10.388 -15.422 -2.739 1.00 0.00 C ATOM 894 CZ PHE A 58 10.312 -16.797 -2.454 1.00 0.00 C ATOM 0 H PHE A 58 6.093 -13.862 -6.869 1.00 0.00 H new ATOM 0 HA PHE A 58 5.921 -15.804 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.754 -15.740 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.188 -14.130 -5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.885 -17.680 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.625 -13.806 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.338 -18.665 -2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.078 -14.795 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.951 -17.228 -1.697 1.00 0.00 H new ATOM 904 N VAL A 59 6.278 -14.342 -2.657 1.00 0.00 N ATOM 905 CA VAL A 59 6.111 -13.525 -1.463 1.00 0.00 C ATOM 906 C VAL A 59 6.873 -14.159 -0.298 1.00 0.00 C ATOM 907 O VAL A 59 7.207 -15.351 -0.320 1.00 0.00 O ATOM 908 CB VAL A 59 4.612 -13.352 -1.142 1.00 0.00 C ATOM 909 CG1 VAL A 59 3.964 -12.224 -1.951 1.00 0.00 C ATOM 910 CG2 VAL A 59 3.776 -14.623 -1.334 1.00 0.00 C ATOM 0 H VAL A 59 6.390 -15.336 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 59 6.524 -12.531 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 59 4.608 -13.100 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.910 -12.146 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.465 -11.282 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.056 -12.441 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.735 -14.415 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.844 -14.950 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.154 -15.409 -0.680 1.00 0.00 H new ATOM 920 N ASN A 60 7.189 -13.360 0.725 1.00 0.00 N ATOM 921 CA ASN A 60 7.984 -13.817 1.855 1.00 0.00 C ATOM 922 C ASN A 60 7.619 -13.086 3.135 1.00 0.00 C ATOM 923 O ASN A 60 6.902 -12.088 3.101 1.00 0.00 O ATOM 924 CB ASN A 60 9.488 -13.699 1.534 1.00 0.00 C ATOM 925 CG ASN A 60 10.163 -15.061 1.632 1.00 0.00 C ATOM 926 OD1 ASN A 60 10.971 -15.305 2.521 1.00 0.00 O ATOM 927 ND2 ASN A 60 9.810 -15.983 0.748 1.00 0.00 N ATOM 0 H ASN A 60 6.900 -12.384 0.788 1.00 0.00 H new ATOM 0 HA ASN A 60 7.757 -14.869 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.621 -13.292 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.960 -13.002 2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.213 -16.919 0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.136 -15.757 0.017 1.00 0.00 H new ATOM 934 N GLU A 61 8.119 -13.579 4.268 1.00 0.00 N ATOM 935 CA GLU A 61 7.938 -12.922 5.557 1.00 0.00 C ATOM 936 C GLU A 61 8.484 -11.487 5.483 1.00 0.00 C ATOM 937 O GLU A 61 9.657 -11.277 5.162 1.00 0.00 O ATOM 938 CB GLU A 61 8.638 -13.763 6.640 1.00 0.00 C ATOM 939 CG GLU A 61 8.393 -13.222 8.054 1.00 0.00 C ATOM 940 CD GLU A 61 9.207 -13.999 9.106 1.00 0.00 C ATOM 941 OE1 GLU A 61 8.725 -15.029 9.629 1.00 0.00 O ATOM 942 OE2 GLU A 61 10.338 -13.575 9.437 1.00 0.00 O ATOM 0 H GLU A 61 8.659 -14.443 4.315 1.00 0.00 H new ATOM 0 HA GLU A 61 6.882 -12.850 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.283 -14.792 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.710 -13.784 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.661 -12.166 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.331 -13.290 8.291 1.00 0.00 H new ATOM 949 N GLY A 62 7.624 -10.506 5.764 1.00 0.00 N ATOM 950 CA GLY A 62 7.953 -9.087 5.758 1.00 0.00 C ATOM 951 C GLY A 62 7.852 -8.451 4.368 1.00 0.00 C ATOM 952 O GLY A 62 8.083 -7.246 4.246 1.00 0.00 O ATOM 0 H GLY A 62 6.651 -10.687 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.284 -8.562 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.965 -8.954 6.139 1.00 0.00 H new ATOM 956 N ASP A 63 7.526 -9.217 3.322 1.00 0.00 N ATOM 957 CA ASP A 63 7.332 -8.691 1.977 1.00 0.00 C ATOM 958 C ASP A 63 5.955 -8.029 1.923 1.00 0.00 C ATOM 959 O ASP A 63 4.987 -8.554 2.476 1.00 0.00 O ATOM 960 CB ASP A 63 7.448 -9.823 0.951 1.00 0.00 C ATOM 961 CG ASP A 63 7.628 -9.329 -0.488 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.633 -8.106 -0.750 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.795 -10.200 -1.370 1.00 0.00 O ATOM 0 H ASP A 63 7.390 -10.226 3.391 1.00 0.00 H new ATOM 0 HA ASP A 63 8.097 -7.953 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.293 -10.458 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.554 -10.444 1.004 1.00 0.00 H new ATOM 968 N VAL A 64 5.865 -6.857 1.308 1.00 0.00 N ATOM 969 CA VAL A 64 4.658 -6.039 1.288 1.00 0.00 C ATOM 970 C VAL A 64 3.519 -6.724 0.516 1.00 0.00 C ATOM 971 O VAL A 64 3.762 -7.570 -0.349 1.00 0.00 O ATOM 972 CB VAL A 64 4.988 -4.640 0.730 1.00 0.00 C ATOM 973 CG1 VAL A 64 5.818 -3.839 1.742 1.00 0.00 C ATOM 974 CG2 VAL A 64 5.727 -4.670 -0.619 1.00 0.00 C ATOM 0 H VAL A 64 6.644 -6.440 0.799 1.00 0.00 H new ATOM 0 HA VAL A 64 4.297 -5.920 2.309 1.00 0.00 H new ATOM 0 HB VAL A 64 4.026 -4.158 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.042 -2.854 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.253 -3.726 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.750 -4.366 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.925 -3.650 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.670 -5.204 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.110 -5.177 -1.361 1.00 0.00 H new ATOM 984 N LEU A 65 2.272 -6.326 0.804 1.00 0.00 N ATOM 985 CA LEU A 65 1.073 -6.895 0.187 1.00 0.00 C ATOM 986 C LEU A 65 0.101 -5.798 -0.235 1.00 0.00 C ATOM 987 O LEU A 65 -0.418 -5.853 -1.350 1.00 0.00 O ATOM 988 CB LEU A 65 0.426 -7.886 1.183 1.00 0.00 C ATOM 989 CG LEU A 65 -0.773 -8.735 0.707 1.00 0.00 C ATOM 990 CD1 LEU A 65 -2.129 -8.027 0.786 1.00 0.00 C ATOM 991 CD2 LEU A 65 -0.582 -9.314 -0.696 1.00 0.00 C ATOM 0 H LEU A 65 2.069 -5.591 1.481 1.00 0.00 H new ATOM 0 HA LEU A 65 1.345 -7.433 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.204 -8.571 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.103 -7.316 2.054 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.794 -9.553 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.911 -8.698 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.333 -7.745 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.109 -7.133 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.459 -9.900 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.450 -8.501 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.300 -9.954 -0.708 1.00 0.00 H new ATOM 1003 N LEU A 66 -0.116 -4.770 0.592 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.179 -3.797 0.388 1.00 0.00 C ATOM 1005 C LEU A 66 -0.731 -2.451 0.930 1.00 0.00 C ATOM 1006 O LEU A 66 0.062 -2.401 1.872 1.00 0.00 O ATOM 1007 CB LEU A 66 -2.406 -4.290 1.191 1.00 0.00 C ATOM 1008 CG LEU A 66 -3.809 -4.074 0.607 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -3.947 -4.554 -0.834 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -4.807 -4.881 1.454 1.00 0.00 C ATOM 0 H LEU A 66 0.447 -4.594 1.424 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.421 -3.692 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.281 -5.359 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.377 -3.806 2.167 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.000 -3.001 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.963 -4.371 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.243 -4.013 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.733 -5.622 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.814 -4.744 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.544 -5.938 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.772 -4.534 2.487 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.277 -1.373 0.387 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.152 -0.023 0.912 1.00 0.00 C ATOM 1024 C GLU A 67 -2.569 0.508 0.971 1.00 0.00 C ATOM 1025 O GLU A 67 -3.335 0.306 0.024 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.230 0.839 0.039 1.00 0.00 C ATOM 1027 CG GLU A 67 0.079 2.187 0.712 1.00 0.00 C ATOM 1028 CD GLU A 67 0.997 3.116 -0.103 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.823 2.634 -0.911 1.00 0.00 O ATOM 1030 OE2 GLU A 67 0.898 4.349 0.089 1.00 0.00 O ATOM 0 H GLU A 67 -1.840 -1.417 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.686 -0.005 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.700 0.303 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.700 1.013 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.860 2.705 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.543 1.997 1.680 1.00 0.00 H new ATOM 1037 N LEU A 68 -2.917 1.156 2.082 1.00 0.00 N ATOM 1038 CA LEU A 68 -4.273 1.555 2.421 1.00 0.00 C ATOM 1039 C LEU A 68 -4.263 3.046 2.703 1.00 0.00 C ATOM 1040 O LEU A 68 -3.419 3.523 3.468 1.00 0.00 O ATOM 1041 CB LEU A 68 -4.762 0.832 3.693 1.00 0.00 C ATOM 1042 CG LEU A 68 -4.678 -0.703 3.709 1.00 0.00 C ATOM 1043 CD1 LEU A 68 -5.249 -1.236 5.028 1.00 0.00 C ATOM 1044 CD2 LEU A 68 -5.423 -1.325 2.532 1.00 0.00 C ATOM 0 H LEU A 68 -2.236 1.425 2.792 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.936 1.300 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.186 1.210 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.801 1.115 3.863 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.628 -0.982 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.189 -2.324 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.674 -0.834 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.291 -0.930 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.339 -2.411 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.474 -1.040 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.989 -0.969 1.598 1.00 0.00 H new ATOM 1056 N SER A 69 -5.236 3.774 2.164 1.00 0.00 N ATOM 1057 CA SER A 69 -5.404 5.191 2.455 1.00 0.00 C ATOM 1058 C SER A 69 -5.648 5.407 3.956 1.00 0.00 C ATOM 1059 O SER A 69 -5.075 6.317 4.549 1.00 0.00 O ATOM 1060 CB SER A 69 -6.555 5.739 1.606 1.00 0.00 C ATOM 1061 OG SER A 69 -6.351 5.406 0.240 1.00 0.00 O ATOM 0 H SER A 69 -5.928 3.398 1.515 1.00 0.00 H new ATOM 0 HA SER A 69 -4.494 5.734 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.502 5.326 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.619 6.821 1.720 1.00 0.00 H new ATOM 0 HG SER A 69 -7.092 5.758 -0.297 1.00 0.00 H new ATOM 1067 N ASN A 70 -6.408 4.512 4.603 1.00 0.00 N ATOM 1068 CA ASN A 70 -6.698 4.581 6.042 1.00 0.00 C ATOM 1069 C ASN A 70 -5.438 4.447 6.916 1.00 0.00 C ATOM 1070 O ASN A 70 -5.462 4.814 8.090 1.00 0.00 O ATOM 1071 CB ASN A 70 -7.728 3.501 6.416 1.00 0.00 C ATOM 1072 CG ASN A 70 -8.228 3.636 7.858 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -8.508 4.731 8.338 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -8.388 2.534 8.573 1.00 0.00 N ATOM 0 H ASN A 70 -6.842 3.714 4.139 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.108 5.571 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.576 3.562 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.281 2.516 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.745 2.592 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.154 1.626 8.170 1.00 0.00 H new ATOM 1081 N SER A 71 -4.333 3.936 6.359 1.00 0.00 N ATOM 1082 CA SER A 71 -3.056 3.798 7.054 1.00 0.00 C ATOM 1083 C SER A 71 -2.050 4.892 6.664 1.00 0.00 C ATOM 1084 O SER A 71 -0.953 4.912 7.223 1.00 0.00 O ATOM 1085 CB SER A 71 -2.479 2.418 6.730 1.00 0.00 C ATOM 1086 OG SER A 71 -3.300 1.387 7.257 1.00 0.00 O ATOM 0 H SER A 71 -4.305 3.602 5.396 1.00 0.00 H new ATOM 0 HA SER A 71 -3.235 3.906 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.391 2.301 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.474 2.334 7.143 1.00 0.00 H new ATOM 0 HG SER A 71 -4.142 1.351 6.757 1.00 0.00 H new ATOM 1092 N THR A 72 -2.381 5.789 5.726 1.00 0.00 N ATOM 1093 CA THR A 72 -1.414 6.720 5.143 1.00 0.00 C ATOM 1094 C THR A 72 -1.976 8.142 4.959 1.00 0.00 C ATOM 1095 O THR A 72 -1.291 9.005 4.403 1.00 0.00 O ATOM 1096 CB THR A 72 -0.880 6.130 3.823 1.00 0.00 C ATOM 1097 OG1 THR A 72 -1.940 5.814 2.937 1.00 0.00 O ATOM 1098 CG2 THR A 72 -0.047 4.857 4.000 1.00 0.00 C ATOM 0 H THR A 72 -3.325 5.887 5.353 1.00 0.00 H new ATOM 0 HA THR A 72 -0.588 6.836 5.845 1.00 0.00 H new ATOM 0 HB THR A 72 -0.238 6.913 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.378 4.988 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.291 4.505 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.817 5.072 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.656 4.086 4.473 1.00 0.00 H new ATOM 1106 N GLN A 73 -3.198 8.420 5.423 1.00 0.00 N ATOM 1107 CA GLN A 73 -3.871 9.712 5.333 1.00 0.00 C ATOM 1108 C GLN A 73 -4.561 9.969 6.670 1.00 0.00 C ATOM 1109 O GLN A 73 -4.566 11.132 7.121 1.00 0.00 O ATOM 1110 CB GLN A 73 -4.906 9.714 4.188 1.00 0.00 C ATOM 1111 CG GLN A 73 -4.348 9.494 2.770 1.00 0.00 C ATOM 1112 CD GLN A 73 -3.608 10.719 2.220 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -4.171 11.533 1.492 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -2.339 10.885 2.551 1.00 0.00 N ATOM 1115 OXT GLN A 73 -5.078 9.008 7.281 1.00 0.00 O ATOM 0 H GLN A 73 -3.768 7.716 5.892 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.146 10.497 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.643 8.937 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.434 10.667 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.669 8.641 2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.168 9.240 2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.877 10.206 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.822 11.692 2.202 1.00 0.00 H new TER 1124 GLN A 73 HETATM 1125 C11 BTI A 135 3.314 -28.761 -5.807 1.00 0.00 C HETATM 1126 O11 BTI A 135 4.169 -27.877 -5.748 1.00 0.00 O HETATM 1127 C10 BTI A 135 2.166 -28.671 -6.812 1.00 0.00 C HETATM 1128 C9 BTI A 135 1.255 -27.453 -6.609 1.00 0.00 C HETATM 1129 C8 BTI A 135 0.874 -27.198 -5.143 1.00 0.00 C HETATM 1130 C7 BTI A 135 -0.366 -26.307 -5.032 1.00 0.00 C HETATM 1131 C2 BTI A 135 -0.749 -26.130 -3.556 1.00 0.00 C HETATM 1132 S1 BTI A 135 -1.306 -27.607 -2.677 1.00 0.00 S HETATM 1133 C6 BTI A 135 -1.881 -26.541 -1.347 1.00 0.00 C HETATM 1134 C5 BTI A 135 -2.482 -25.278 -1.973 1.00 0.00 C HETATM 1135 N3 BTI A 135 -3.861 -25.499 -2.362 1.00 0.00 N HETATM 1136 C3 BTI A 135 -4.112 -25.461 -3.675 1.00 0.00 C HETATM 1137 O3 BTI A 135 -5.190 -25.636 -4.239 1.00 0.00 O HETATM 1138 N2 BTI A 135 -2.936 -25.169 -4.238 1.00 0.00 N HETATM 1139 C4 BTI A 135 -1.813 -25.036 -3.328 1.00 0.00 C HETATM 0 H103 BTI A 135 2.580 -28.638 -7.820 1.00 0.00 H new HETATM 0 H102 BTI A 135 1.565 -29.577 -6.744 1.00 0.00 H new HETATM 0 HN3 BTI A 135 -4.595 -25.673 -1.676 1.00 0.00 H new HETATM 0 HN2 BTI A 135 -2.834 -25.047 -5.245 1.00 0.00 H new HETATM 0 H93 BTI A 135 1.755 -26.568 -7.003 1.00 0.00 H new HETATM 0 H92 BTI A 135 0.344 -27.591 -7.192 1.00 0.00 H new HETATM 0 H83 BTI A 135 0.686 -28.149 -4.644 1.00 0.00 H new HETATM 0 H82 BTI A 135 1.710 -26.727 -4.626 1.00 0.00 H new HETATM 0 H73 BTI A 135 -0.169 -25.335 -5.485 1.00 0.00 H new HETATM 0 H72 BTI A 135 -1.195 -26.752 -5.582 1.00 0.00 H new HETATM 0 H63 BTI A 135 -2.626 -27.057 -0.741 1.00 0.00 H new HETATM 0 H62 BTI A 135 -1.056 -26.281 -0.684 1.00 0.00 H new HETATM 0 H5 BTI A 135 -2.363 -24.477 -1.244 1.00 0.00 H new HETATM 0 H4 BTI A 135 -1.295 -24.083 -3.438 1.00 0.00 H new HETATM 0 H2 BTI A 135 0.214 -25.842 -3.135 1.00 0.00 H new