USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 16 GLN :FLIP amide:sc= -0.105 F(o=-3.9!,f=-0.1) USER MOD Set 1.2: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.657 K(o=-0.66,f=-4.2!) USER MOD Single : A 9 ASN :FLIP amide:sc= -3.16! C(o=-5.3!,f=-3.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -18:sc= 1.05 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc=-0.000169 (180deg=-0.0833) USER MOD Single : A 37 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.9) USER MOD Single : B 9 ASN : amide:sc= -3.76! C(o=-3.8!,f=-3.8!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -1.75! C(o=-1.8!,f=-1.5!) USER MOD Single : B 20 SER OG : rot -33:sc= 1.16 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 160:sc= -0.022 USER MOD Single : B 28 MET CE :methyl -139:sc= 0 (180deg=-1.99!) USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0917) USER MOD Single : B 37 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.6!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.615 3.885 2.191 1.00 0.00 N ATOM 13 CA GLU A 2 4.483 2.809 3.164 1.00 0.00 C ATOM 14 C GLU A 2 4.214 1.472 2.477 1.00 0.00 C ATOM 15 O GLU A 2 4.544 0.422 3.009 1.00 0.00 O ATOM 16 CB GLU A 2 3.362 3.119 4.158 1.00 0.00 C ATOM 17 CG GLU A 2 3.225 2.084 5.263 1.00 0.00 C ATOM 18 CD GLU A 2 2.117 2.415 6.243 1.00 0.00 C ATOM 19 OE1 GLU A 2 0.947 2.487 5.814 1.00 0.00 O ATOM 20 OE2 GLU A 2 2.420 2.603 7.440 1.00 0.00 O ATOM 0 HA GLU A 2 5.427 2.733 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.545 4.095 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.418 3.189 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.031 1.108 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.169 2.007 5.802 1.00 0.00 H new ATOM 27 N ALA A 3 3.613 1.528 1.292 1.00 0.00 N ATOM 28 CA ALA A 3 3.296 0.322 0.525 1.00 0.00 C ATOM 29 C ALA A 3 4.533 -0.196 -0.180 1.00 0.00 C ATOM 30 O ALA A 3 4.660 -1.381 -0.484 1.00 0.00 O ATOM 31 CB ALA A 3 2.206 0.620 -0.489 1.00 0.00 C ATOM 0 H ALA A 3 3.334 2.398 0.839 1.00 0.00 H new ATOM 0 HA ALA A 3 2.940 -0.444 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.978 -0.284 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.310 0.960 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.547 1.398 -1.172 1.00 0.00 H new ATOM 37 N LEU A 4 5.426 0.724 -0.447 1.00 0.00 N ATOM 38 CA LEU A 4 6.670 0.439 -1.124 1.00 0.00 C ATOM 39 C LEU A 4 7.720 -0.032 -0.128 1.00 0.00 C ATOM 40 O LEU A 4 8.532 -0.908 -0.417 1.00 0.00 O ATOM 41 CB LEU A 4 7.129 1.705 -1.841 1.00 0.00 C ATOM 42 CG LEU A 4 6.090 2.315 -2.790 1.00 0.00 C ATOM 43 CD1 LEU A 4 5.413 1.224 -3.602 1.00 0.00 C ATOM 44 CD2 LEU A 4 5.055 3.126 -2.019 1.00 0.00 C ATOM 0 H LEU A 4 5.309 1.706 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 4 6.526 -0.360 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.402 2.451 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.031 1.478 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 4 6.607 2.990 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.678 1.671 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.161 0.690 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.914 0.526 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.330 3.547 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.541 2.479 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.552 3.933 -1.481 1.00 0.00 H new ATOM 56 N LYS A 5 7.685 0.576 1.046 1.00 0.00 N ATOM 57 CA LYS A 5 8.612 0.264 2.122 1.00 0.00 C ATOM 58 C LYS A 5 8.117 -0.919 2.951 1.00 0.00 C ATOM 59 O LYS A 5 8.915 -1.642 3.547 1.00 0.00 O ATOM 60 CB LYS A 5 8.815 1.506 3.006 1.00 0.00 C ATOM 61 CG LYS A 5 9.684 1.272 4.234 1.00 0.00 C ATOM 62 CD LYS A 5 8.909 0.588 5.348 1.00 0.00 C ATOM 63 CE LYS A 5 7.829 1.495 5.918 1.00 0.00 C ATOM 64 NZ LYS A 5 7.062 0.830 7.007 1.00 0.00 N ATOM 0 H LYS A 5 7.010 1.303 1.281 1.00 0.00 H new ATOM 0 HA LYS A 5 9.569 -0.022 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.264 2.295 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.840 1.869 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.544 0.661 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.072 2.225 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.453 -0.326 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.595 0.295 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.286 2.407 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.146 1.791 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.336 1.481 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.604 -0.027 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.709 0.570 7.779 1.00 0.00 H new ATOM 78 N ILE A 6 6.799 -1.112 2.990 1.00 0.00 N ATOM 79 CA ILE A 6 6.216 -2.203 3.754 1.00 0.00 C ATOM 80 C ILE A 6 6.856 -3.509 3.343 1.00 0.00 C ATOM 81 O ILE A 6 7.370 -4.261 4.170 1.00 0.00 O ATOM 82 CB ILE A 6 4.683 -2.282 3.545 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.084 -3.418 4.374 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.349 -2.460 2.074 1.00 0.00 C ATOM 85 CD1 ILE A 6 4.201 -4.789 3.737 1.00 0.00 C ATOM 0 H ILE A 6 6.121 -0.527 2.502 1.00 0.00 H new ATOM 0 HA ILE A 6 6.403 -2.016 4.811 1.00 0.00 H new ATOM 0 HB ILE A 6 4.245 -1.343 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.576 -3.440 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.031 -3.203 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.267 -2.513 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.738 -1.614 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.802 -3.381 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.751 -5.534 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.684 -4.790 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.253 -5.030 3.582 1.00 0.00 H new ATOM 97 N LEU A 7 6.836 -3.751 2.050 1.00 0.00 N ATOM 98 CA LEU A 7 7.424 -4.941 1.488 1.00 0.00 C ATOM 99 C LEU A 7 8.837 -4.622 1.017 1.00 0.00 C ATOM 100 O LEU A 7 9.602 -5.511 0.646 1.00 0.00 O ATOM 101 CB LEU A 7 6.544 -5.466 0.342 1.00 0.00 C ATOM 102 CG LEU A 7 7.056 -5.222 -1.082 1.00 0.00 C ATOM 103 CD1 LEU A 7 8.034 -6.309 -1.509 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.889 -5.152 -2.049 1.00 0.00 C ATOM 0 H LEU A 7 6.412 -3.128 1.363 1.00 0.00 H new ATOM 0 HA LEU A 7 7.484 -5.727 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.412 -6.539 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.558 -5.010 0.433 1.00 0.00 H new ATOM 0 HG LEU A 7 7.587 -4.270 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.380 -6.109 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.887 -6.319 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.536 -7.278 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.263 -4.978 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.338 -6.092 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.227 -4.335 -1.762 1.00 0.00 H new ATOM 116 N ASN A 8 9.170 -3.330 1.043 1.00 0.00 N ATOM 117 CA ASN A 8 10.488 -2.867 0.619 1.00 0.00 C ATOM 118 C ASN A 8 10.721 -3.177 -0.858 1.00 0.00 C ATOM 119 O ASN A 8 11.856 -3.358 -1.288 1.00 0.00 O ATOM 120 CB ASN A 8 11.590 -3.521 1.461 1.00 0.00 C ATOM 121 CG ASN A 8 11.405 -3.287 2.947 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.417 -3.723 3.538 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.358 -2.597 3.561 1.00 0.00 N ATOM 0 H ASN A 8 8.543 -2.588 1.354 1.00 0.00 H new ATOM 0 HA ASN A 8 10.524 -1.787 0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.604 -4.593 1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.559 -3.128 1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.288 -2.410 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.160 -2.254 3.033 1.00 0.00 H new ATOM 130 N ASN A 9 9.635 -3.225 -1.628 1.00 0.00 N ATOM 131 CA ASN A 9 9.711 -3.504 -3.062 1.00 0.00 C ATOM 132 C ASN A 9 10.259 -4.907 -3.337 1.00 0.00 C ATOM 133 O ASN A 9 11.301 -5.297 -2.814 1.00 0.00 O ATOM 134 CB ASN A 9 10.576 -2.458 -3.769 1.00 0.00 C ATOM 135 CG ASN A 9 10.009 -1.052 -3.664 1.00 0.00 C ATOM 136 OD1 ASN A 9 8.834 -0.920 -3.055 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 10.619 -0.093 -4.137 1.00 0.00 N flip ATOM 0 H ASN A 9 8.688 -3.074 -1.281 1.00 0.00 H new ATOM 0 HA ASN A 9 8.696 -3.455 -3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.578 -2.473 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.675 -2.727 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.518 -0.237 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.225 0.845 -4.069 1.00 0.00 H new ATOM 144 N ILE A 10 9.539 -5.652 -4.171 1.00 0.00 N ATOM 145 CA ILE A 10 9.925 -7.011 -4.542 1.00 0.00 C ATOM 146 C ILE A 10 11.297 -7.042 -5.216 1.00 0.00 C ATOM 147 O ILE A 10 11.946 -8.085 -5.266 1.00 0.00 O ATOM 148 CB ILE A 10 8.893 -7.657 -5.489 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.812 -6.893 -6.818 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.527 -7.723 -4.815 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.163 -5.529 -6.715 1.00 0.00 C ATOM 0 H ILE A 10 8.674 -5.333 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 10 9.967 -7.581 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 10 9.218 -8.673 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.819 -6.774 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.254 -7.494 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.808 -8.181 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.598 -8.320 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.197 -6.715 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.147 -5.059 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.142 -5.638 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.732 -4.907 -6.024 1.00 0.00 H new ATOM 163 N ARG A 11 11.724 -5.901 -5.751 1.00 0.00 N ATOM 164 CA ARG A 11 13.012 -5.814 -6.437 1.00 0.00 C ATOM 165 C ARG A 11 14.176 -6.170 -5.510 1.00 0.00 C ATOM 166 O ARG A 11 14.966 -7.066 -5.815 1.00 0.00 O ATOM 167 CB ARG A 11 13.207 -4.414 -7.028 1.00 0.00 C ATOM 168 CG ARG A 11 13.125 -3.293 -6.003 1.00 0.00 C ATOM 169 CD ARG A 11 13.245 -1.929 -6.663 1.00 0.00 C ATOM 170 NE ARG A 11 13.172 -0.843 -5.689 1.00 0.00 N ATOM 171 CZ ARG A 11 13.252 0.444 -6.012 1.00 0.00 C ATOM 172 NH1 ARG A 11 13.406 0.805 -7.280 1.00 0.00 N ATOM 173 NH2 ARG A 11 13.178 1.373 -5.069 1.00 0.00 N ATOM 0 H ARG A 11 11.200 -5.026 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 11 13.004 -6.544 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.178 -4.371 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.452 -4.246 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.179 -3.357 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.919 -3.413 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.190 -1.869 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.449 -1.811 -7.399 1.00 0.00 H new ATOM 0 HE ARG A 11 13.053 -1.086 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.463 0.094 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.467 1.793 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.059 1.101 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.240 2.360 -5.319 1.00 0.00 H new ATOM 187 N THR A 12 14.285 -5.475 -4.381 1.00 0.00 N ATOM 188 CA THR A 12 15.361 -5.742 -3.431 1.00 0.00 C ATOM 189 C THR A 12 15.045 -6.974 -2.596 1.00 0.00 C ATOM 190 O THR A 12 15.944 -7.710 -2.189 1.00 0.00 O ATOM 191 CB THR A 12 15.621 -4.545 -2.495 1.00 0.00 C ATOM 192 OG1 THR A 12 16.809 -4.777 -1.726 1.00 0.00 O ATOM 193 CG2 THR A 12 14.451 -4.322 -1.554 1.00 0.00 C ATOM 0 H THR A 12 13.647 -4.729 -4.103 1.00 0.00 H new ATOM 0 HA THR A 12 16.263 -5.916 -4.018 1.00 0.00 H new ATOM 0 HB THR A 12 15.746 -3.655 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.970 -4.013 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.662 -3.472 -0.906 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.551 -4.121 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.299 -5.213 -0.945 1.00 0.00 H new ATOM 201 N LEU A 13 13.757 -7.191 -2.343 1.00 0.00 N ATOM 202 CA LEU A 13 13.316 -8.335 -1.559 1.00 0.00 C ATOM 203 C LEU A 13 13.716 -9.633 -2.250 1.00 0.00 C ATOM 204 O LEU A 13 14.236 -10.542 -1.614 1.00 0.00 O ATOM 205 CB LEU A 13 11.798 -8.282 -1.347 1.00 0.00 C ATOM 206 CG LEU A 13 11.236 -9.299 -0.348 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.780 -8.989 -0.042 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.369 -10.717 -0.883 1.00 0.00 C ATOM 0 H LEU A 13 13.002 -6.588 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 13 13.801 -8.299 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.531 -7.281 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.309 -8.435 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 13 11.814 -9.225 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.394 -9.720 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.703 -7.990 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.197 -9.035 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.963 -11.420 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.819 -10.806 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.421 -10.943 -1.058 1.00 0.00 H new ATOM 220 N ARG A 14 13.473 -9.708 -3.555 1.00 0.00 N ATOM 221 CA ARG A 14 13.815 -10.890 -4.337 1.00 0.00 C ATOM 222 C ARG A 14 15.197 -11.405 -3.955 1.00 0.00 C ATOM 223 O ARG A 14 15.428 -12.611 -3.873 1.00 0.00 O ATOM 224 CB ARG A 14 13.782 -10.540 -5.828 1.00 0.00 C ATOM 225 CG ARG A 14 14.318 -11.629 -6.735 1.00 0.00 C ATOM 226 CD ARG A 14 13.403 -12.835 -6.754 1.00 0.00 C ATOM 227 NE ARG A 14 13.916 -13.890 -7.621 1.00 0.00 N ATOM 228 CZ ARG A 14 13.253 -15.008 -7.885 1.00 0.00 C ATOM 229 NH1 ARG A 14 12.047 -15.197 -7.375 1.00 0.00 N ATOM 230 NH2 ARG A 14 13.792 -15.931 -8.669 1.00 0.00 N ATOM 0 H ARG A 14 13.038 -8.960 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 14 13.087 -11.674 -4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.754 -10.318 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.362 -9.631 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.429 -11.239 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.310 -11.929 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.289 -13.221 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.412 -12.534 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 14 14.834 -13.761 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.628 -14.483 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.537 -16.057 -7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.718 -15.782 -9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.281 -16.790 -8.871 1.00 0.00 H new ATOM 244 N ALA A 15 16.103 -10.471 -3.715 1.00 0.00 N ATOM 245 CA ALA A 15 17.470 -10.798 -3.328 1.00 0.00 C ATOM 246 C ALA A 15 17.585 -10.967 -1.824 1.00 0.00 C ATOM 247 O ALA A 15 18.266 -11.870 -1.334 1.00 0.00 O ATOM 248 CB ALA A 15 18.412 -9.707 -3.788 1.00 0.00 C ATOM 0 H ALA A 15 15.916 -9.471 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 15 17.740 -11.740 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.431 -9.959 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.359 -9.614 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.126 -8.761 -3.328 1.00 0.00 H new ATOM 254 N GLN A 16 16.916 -10.084 -1.099 1.00 0.00 N ATOM 255 CA GLN A 16 16.924 -10.108 0.348 1.00 0.00 C ATOM 256 C GLN A 16 16.471 -11.464 0.844 1.00 0.00 C ATOM 257 O GLN A 16 17.027 -12.035 1.781 1.00 0.00 O ATOM 258 CB GLN A 16 15.972 -9.031 0.861 1.00 0.00 C ATOM 259 CG GLN A 16 16.013 -8.839 2.359 1.00 0.00 C ATOM 260 CD GLN A 16 14.826 -8.049 2.889 1.00 0.00 C ATOM 261 OE1 GLN A 16 13.840 -7.788 2.030 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 14.787 -7.690 4.066 1.00 0.00 N flip ATOM 0 H GLN A 16 16.354 -9.333 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 16 17.933 -9.919 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.215 -8.085 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.955 -9.289 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.039 -9.815 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.935 -8.324 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.562 -7.909 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.980 -7.173 4.415 1.00 0.00 H new ATOM 271 N ALA A 17 15.447 -11.956 0.182 1.00 0.00 N ATOM 272 CA ALA A 17 14.855 -13.237 0.486 1.00 0.00 C ATOM 273 C ALA A 17 15.546 -14.346 -0.278 1.00 0.00 C ATOM 274 O ALA A 17 15.438 -15.517 0.080 1.00 0.00 O ATOM 275 CB ALA A 17 13.382 -13.208 0.160 1.00 0.00 C ATOM 0 H ALA A 17 14.997 -11.469 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 17 14.980 -13.436 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.939 -14.177 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.893 -12.435 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.248 -12.991 -0.900 1.00 0.00 H new ATOM 281 N ARG A 18 16.242 -13.966 -1.347 1.00 0.00 N ATOM 282 CA ARG A 18 16.947 -14.932 -2.181 1.00 0.00 C ATOM 283 C ARG A 18 17.692 -15.933 -1.310 1.00 0.00 C ATOM 284 O ARG A 18 17.879 -17.089 -1.690 1.00 0.00 O ATOM 285 CB ARG A 18 17.928 -14.220 -3.115 1.00 0.00 C ATOM 286 CG ARG A 18 18.655 -15.156 -4.066 1.00 0.00 C ATOM 287 CD ARG A 18 17.692 -15.843 -5.018 1.00 0.00 C ATOM 288 NE ARG A 18 18.380 -16.740 -5.941 1.00 0.00 N ATOM 289 CZ ARG A 18 17.764 -17.438 -6.892 1.00 0.00 C ATOM 290 NH1 ARG A 18 16.450 -17.337 -7.046 1.00 0.00 N ATOM 291 NH2 ARG A 18 18.461 -18.236 -7.688 1.00 0.00 N ATOM 0 H ARG A 18 16.332 -12.998 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 18 16.214 -15.465 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.386 -13.474 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.663 -13.683 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.393 -14.594 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.199 -15.907 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.957 -16.408 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.144 -15.090 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 18 19.391 -16.838 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.911 -16.724 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.979 -17.873 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.471 -18.316 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.987 -18.770 -8.416 1.00 0.00 H new ATOM 305 N GLU A 19 18.108 -15.476 -0.135 1.00 0.00 N ATOM 306 CA GLU A 19 18.828 -16.330 0.802 1.00 0.00 C ATOM 307 C GLU A 19 17.880 -16.973 1.814 1.00 0.00 C ATOM 308 O GLU A 19 18.243 -17.166 2.976 1.00 0.00 O ATOM 309 CB GLU A 19 19.905 -15.523 1.530 1.00 0.00 C ATOM 310 CG GLU A 19 19.360 -14.329 2.296 1.00 0.00 C ATOM 311 CD GLU A 19 20.446 -13.547 3.008 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.139 -14.137 3.863 1.00 0.00 O ATOM 313 OE2 GLU A 19 20.605 -12.345 2.709 1.00 0.00 O ATOM 0 H GLU A 19 17.960 -14.521 0.191 1.00 0.00 H new ATOM 0 HA GLU A 19 19.301 -17.129 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.431 -16.179 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.638 -15.173 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.835 -13.668 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.628 -14.674 3.026 1.00 0.00 H new ATOM 320 N SER A 20 16.666 -17.309 1.374 1.00 0.00 N ATOM 321 CA SER A 20 15.685 -17.933 2.261 1.00 0.00 C ATOM 322 C SER A 20 14.474 -18.454 1.485 1.00 0.00 C ATOM 323 O SER A 20 14.520 -18.607 0.265 1.00 0.00 O ATOM 324 CB SER A 20 15.230 -16.937 3.328 1.00 0.00 C ATOM 325 OG SER A 20 14.626 -15.798 2.739 1.00 0.00 O ATOM 0 H SER A 20 16.342 -17.161 0.418 1.00 0.00 H new ATOM 0 HA SER A 20 16.168 -18.784 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.523 -17.420 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.085 -16.629 3.930 1.00 0.00 H new ATOM 0 HG SER A 20 14.872 -15.750 1.792 1.00 0.00 H new ATOM 331 N THR A 21 13.392 -18.724 2.214 1.00 0.00 N ATOM 332 CA THR A 21 12.156 -19.233 1.621 1.00 0.00 C ATOM 333 C THR A 21 11.166 -18.096 1.369 1.00 0.00 C ATOM 334 O THR A 21 11.337 -16.993 1.890 1.00 0.00 O ATOM 335 CB THR A 21 11.503 -20.291 2.535 1.00 0.00 C ATOM 336 OG1 THR A 21 12.462 -21.300 2.874 1.00 0.00 O ATOM 337 CG2 THR A 21 10.306 -20.943 1.860 1.00 0.00 C ATOM 0 H THR A 21 13.347 -18.597 3.225 1.00 0.00 H new ATOM 0 HA THR A 21 12.414 -19.697 0.669 1.00 0.00 H new ATOM 0 HB THR A 21 11.158 -19.786 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.042 -21.968 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.869 -21.683 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.562 -20.182 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.628 -21.432 0.941 1.00 0.00 H new ATOM 345 N LEU A 22 10.128 -18.367 0.576 1.00 0.00 N ATOM 346 CA LEU A 22 9.122 -17.369 0.273 1.00 0.00 C ATOM 347 C LEU A 22 8.447 -16.889 1.549 1.00 0.00 C ATOM 348 O LEU A 22 7.768 -15.880 1.548 1.00 0.00 O ATOM 349 CB LEU A 22 8.082 -17.914 -0.714 1.00 0.00 C ATOM 350 CG LEU A 22 6.714 -18.245 -0.113 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.702 -18.511 -1.214 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.794 -19.430 0.832 1.00 0.00 C ATOM 0 H LEU A 22 9.969 -19.273 0.135 1.00 0.00 H new ATOM 0 HA LEU A 22 9.620 -16.521 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.943 -17.182 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.484 -18.815 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 22 6.387 -17.381 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.734 -18.745 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.608 -17.626 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.036 -19.353 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.805 -19.637 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.153 -20.305 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.482 -19.201 1.646 1.00 0.00 H new ATOM 364 N GLU A 23 8.627 -17.629 2.640 1.00 0.00 N ATOM 365 CA GLU A 23 8.017 -17.266 3.916 1.00 0.00 C ATOM 366 C GLU A 23 8.093 -15.758 4.137 1.00 0.00 C ATOM 367 O GLU A 23 7.251 -15.178 4.826 1.00 0.00 O ATOM 368 CB GLU A 23 8.701 -18.016 5.065 1.00 0.00 C ATOM 369 CG GLU A 23 10.205 -17.794 5.157 1.00 0.00 C ATOM 370 CD GLU A 23 10.575 -16.398 5.621 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.138 -16.004 6.723 1.00 0.00 O ATOM 372 OE2 GLU A 23 11.306 -15.701 4.886 1.00 0.00 O ATOM 0 H GLU A 23 9.188 -18.480 2.666 1.00 0.00 H new ATOM 0 HA GLU A 23 6.966 -17.554 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.243 -17.710 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.510 -19.083 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.632 -18.524 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.653 -17.976 4.180 1.00 0.00 H new ATOM 379 N THR A 24 9.088 -15.127 3.514 1.00 0.00 N ATOM 380 CA THR A 24 9.255 -13.685 3.607 1.00 0.00 C ATOM 381 C THR A 24 7.954 -12.984 3.236 1.00 0.00 C ATOM 382 O THR A 24 7.544 -12.031 3.899 1.00 0.00 O ATOM 383 CB THR A 24 10.391 -13.186 2.692 1.00 0.00 C ATOM 384 OG1 THR A 24 10.461 -11.756 2.732 1.00 0.00 O ATOM 385 CG2 THR A 24 10.178 -13.651 1.260 1.00 0.00 C ATOM 0 H THR A 24 9.789 -15.596 2.940 1.00 0.00 H new ATOM 0 HA THR A 24 9.520 -13.448 4.637 1.00 0.00 H new ATOM 0 HB THR A 24 11.330 -13.604 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.186 -11.448 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.992 -13.286 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.158 -14.740 1.230 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.231 -13.260 0.888 1.00 0.00 H new ATOM 393 N LEU A 25 7.291 -13.473 2.186 1.00 0.00 N ATOM 394 CA LEU A 25 6.023 -12.898 1.773 1.00 0.00 C ATOM 395 C LEU A 25 4.965 -13.150 2.835 1.00 0.00 C ATOM 396 O LEU A 25 4.233 -12.252 3.218 1.00 0.00 O ATOM 397 CB LEU A 25 5.560 -13.419 0.399 1.00 0.00 C ATOM 398 CG LEU A 25 5.740 -14.918 0.105 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.871 -15.781 1.005 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.416 -15.205 -1.349 1.00 0.00 C ATOM 0 H LEU A 25 7.611 -14.256 1.617 1.00 0.00 H new ATOM 0 HA LEU A 25 6.170 -11.824 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.502 -13.180 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.094 -12.860 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 25 6.781 -15.169 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.029 -16.832 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.138 -15.604 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.822 -15.527 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.546 -16.269 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.384 -14.921 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.085 -14.631 -1.991 1.00 0.00 H new ATOM 412 N GLU A 26 4.902 -14.364 3.350 1.00 0.00 N ATOM 413 CA GLU A 26 3.937 -14.658 4.386 1.00 0.00 C ATOM 414 C GLU A 26 4.121 -13.657 5.517 1.00 0.00 C ATOM 415 O GLU A 26 3.183 -13.341 6.250 1.00 0.00 O ATOM 416 CB GLU A 26 4.087 -16.098 4.883 1.00 0.00 C ATOM 417 CG GLU A 26 3.248 -16.415 6.112 1.00 0.00 C ATOM 418 CD GLU A 26 3.417 -17.846 6.578 1.00 0.00 C ATOM 419 OE1 GLU A 26 4.558 -18.233 6.908 1.00 0.00 O ATOM 420 OE2 GLU A 26 2.408 -18.582 6.614 1.00 0.00 O ATOM 0 H GLU A 26 5.495 -15.146 3.073 1.00 0.00 H new ATOM 0 HA GLU A 26 2.927 -14.567 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.810 -16.780 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.136 -16.286 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.524 -15.738 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.197 -16.231 5.888 1.00 0.00 H new ATOM 427 N GLU A 27 5.342 -13.135 5.621 1.00 0.00 N ATOM 428 CA GLU A 27 5.668 -12.142 6.636 1.00 0.00 C ATOM 429 C GLU A 27 5.257 -10.744 6.184 1.00 0.00 C ATOM 430 O GLU A 27 4.567 -10.030 6.905 1.00 0.00 O ATOM 431 CB GLU A 27 7.168 -12.157 6.932 1.00 0.00 C ATOM 432 CG GLU A 27 7.697 -13.517 7.344 1.00 0.00 C ATOM 433 CD GLU A 27 7.067 -14.026 8.627 1.00 0.00 C ATOM 434 OE1 GLU A 27 7.208 -13.347 9.667 1.00 0.00 O ATOM 435 OE2 GLU A 27 6.435 -15.102 8.591 1.00 0.00 O ATOM 0 H GLU A 27 6.121 -13.386 5.012 1.00 0.00 H new ATOM 0 HA GLU A 27 5.116 -12.397 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.707 -11.821 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.380 -11.440 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.510 -14.233 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.778 -13.458 7.473 1.00 0.00 H new ATOM 442 N MET A 28 5.706 -10.356 4.992 1.00 0.00 N ATOM 443 CA MET A 28 5.407 -9.033 4.444 1.00 0.00 C ATOM 444 C MET A 28 4.108 -9.020 3.642 1.00 0.00 C ATOM 445 O MET A 28 3.282 -8.127 3.805 1.00 0.00 O ATOM 446 CB MET A 28 6.559 -8.563 3.556 1.00 0.00 C ATOM 447 CG MET A 28 7.903 -8.555 4.261 1.00 0.00 C ATOM 448 SD MET A 28 9.246 -8.014 3.189 1.00 0.00 S ATOM 449 CE MET A 28 10.647 -8.224 4.283 1.00 0.00 C ATOM 0 H MET A 28 6.280 -10.941 4.385 1.00 0.00 H new ATOM 0 HA MET A 28 5.283 -8.354 5.288 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.620 -9.210 2.681 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.342 -7.558 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.849 -7.898 5.129 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.120 -9.557 4.632 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.560 -7.930 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.515 -7.601 5.167 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.721 -9.269 4.583 1.00 0.00 H new ATOM 459 N LEU A 29 3.945 -10.013 2.775 1.00 0.00 N ATOM 460 CA LEU A 29 2.752 -10.128 1.932 1.00 0.00 C ATOM 461 C LEU A 29 1.489 -10.064 2.787 1.00 0.00 C ATOM 462 O LEU A 29 0.518 -9.399 2.434 1.00 0.00 O ATOM 463 CB LEU A 29 2.813 -11.445 1.138 1.00 0.00 C ATOM 464 CG LEU A 29 1.816 -11.613 -0.009 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.807 -10.398 -0.914 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.161 -12.854 -0.817 1.00 0.00 C ATOM 0 H LEU A 29 4.628 -10.757 2.634 1.00 0.00 H new ATOM 0 HA LEU A 29 2.722 -9.295 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.819 -11.548 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.667 -12.269 1.837 1.00 0.00 H new ATOM 0 HG LEU A 29 0.821 -11.722 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.088 -10.549 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.526 -9.517 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.801 -10.253 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.447 -12.967 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.166 -12.754 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.118 -13.732 -0.172 1.00 0.00 H new ATOM 478 N GLU A 30 1.518 -10.743 3.924 1.00 0.00 N ATOM 479 CA GLU A 30 0.382 -10.751 4.841 1.00 0.00 C ATOM 480 C GLU A 30 0.108 -9.358 5.406 1.00 0.00 C ATOM 481 O GLU A 30 -1.037 -9.018 5.701 1.00 0.00 O ATOM 482 CB GLU A 30 0.623 -11.740 5.987 1.00 0.00 C ATOM 483 CG GLU A 30 -0.362 -11.604 7.145 1.00 0.00 C ATOM 484 CD GLU A 30 -1.815 -11.756 6.729 1.00 0.00 C ATOM 485 OE1 GLU A 30 -2.081 -11.928 5.522 1.00 0.00 O ATOM 486 OE2 GLU A 30 -2.691 -11.697 7.618 1.00 0.00 O ATOM 0 H GLU A 30 2.316 -11.297 4.236 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.494 -11.066 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.567 -12.755 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.635 -11.600 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.128 -12.355 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.227 -10.629 7.613 1.00 0.00 H new ATOM 493 N LYS A 31 1.158 -8.558 5.562 1.00 0.00 N ATOM 494 CA LYS A 31 1.010 -7.208 6.106 1.00 0.00 C ATOM 495 C LYS A 31 0.648 -6.238 4.999 1.00 0.00 C ATOM 496 O LYS A 31 -0.148 -5.320 5.187 1.00 0.00 O ATOM 497 CB LYS A 31 2.294 -6.772 6.803 1.00 0.00 C ATOM 498 CG LYS A 31 2.930 -7.888 7.609 1.00 0.00 C ATOM 499 CD LYS A 31 1.942 -8.528 8.574 1.00 0.00 C ATOM 500 CE LYS A 31 2.524 -9.777 9.218 1.00 0.00 C ATOM 501 NZ LYS A 31 3.766 -9.481 9.984 1.00 0.00 N ATOM 0 H LYS A 31 2.115 -8.816 5.322 1.00 0.00 H new ATOM 0 HA LYS A 31 0.206 -7.212 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.005 -6.417 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.077 -5.931 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.319 -8.648 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.779 -7.494 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.671 -7.810 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.026 -8.784 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.784 -10.220 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.741 -10.516 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.074 -10.336 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.514 -9.178 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.578 -8.722 10.670 1.00 0.00 H new ATOM 515 N LEU A 32 1.224 -6.476 3.836 1.00 0.00 N ATOM 516 CA LEU A 32 0.958 -5.665 2.667 1.00 0.00 C ATOM 517 C LEU A 32 -0.488 -5.870 2.246 1.00 0.00 C ATOM 518 O LEU A 32 -1.090 -5.043 1.561 1.00 0.00 O ATOM 519 CB LEU A 32 1.903 -6.060 1.547 1.00 0.00 C ATOM 520 CG LEU A 32 1.728 -5.264 0.258 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.806 -3.773 0.542 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.775 -5.675 -0.756 1.00 0.00 C ATOM 0 H LEU A 32 1.887 -7.235 3.677 1.00 0.00 H new ATOM 0 HA LEU A 32 1.118 -4.611 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.929 -5.941 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.762 -7.118 1.327 1.00 0.00 H new ATOM 0 HG LEU A 32 0.744 -5.479 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.679 -3.218 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.018 -3.494 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.777 -3.536 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.640 -5.100 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.769 -5.484 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.671 -6.737 -0.976 1.00 0.00 H new ATOM 534 N GLU A 33 -1.035 -6.994 2.682 1.00 0.00 N ATOM 535 CA GLU A 33 -2.414 -7.352 2.396 1.00 0.00 C ATOM 536 C GLU A 33 -3.347 -6.731 3.429 1.00 0.00 C ATOM 537 O GLU A 33 -4.391 -6.179 3.078 1.00 0.00 O ATOM 538 CB GLU A 33 -2.532 -8.877 2.344 1.00 0.00 C ATOM 539 CG GLU A 33 -3.928 -9.439 2.559 1.00 0.00 C ATOM 540 CD GLU A 33 -4.405 -9.323 3.996 1.00 0.00 C ATOM 541 OE1 GLU A 33 -3.757 -9.915 4.883 1.00 0.00 O ATOM 542 OE2 GLU A 33 -5.424 -8.641 4.230 1.00 0.00 O ATOM 0 H GLU A 33 -0.535 -7.683 3.244 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.714 -6.956 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.169 -9.218 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.870 -9.300 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.628 -8.916 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.940 -10.488 2.263 1.00 0.00 H new ATOM 549 N VAL A 34 -2.959 -6.810 4.702 1.00 0.00 N ATOM 550 CA VAL A 34 -3.764 -6.233 5.770 1.00 0.00 C ATOM 551 C VAL A 34 -3.750 -4.713 5.676 1.00 0.00 C ATOM 552 O VAL A 34 -4.756 -4.056 5.957 1.00 0.00 O ATOM 553 CB VAL A 34 -3.291 -6.666 7.173 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.360 -8.178 7.320 1.00 0.00 C ATOM 555 CG2 VAL A 34 -1.888 -6.155 7.456 1.00 0.00 C ATOM 0 H VAL A 34 -2.100 -7.264 5.013 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.779 -6.608 5.636 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.962 -6.223 7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.022 -8.462 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.388 -8.511 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.719 -8.646 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.578 -6.474 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.198 -6.558 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.880 -5.066 7.405 1.00 0.00 H new ATOM 565 N VAL A 35 -2.610 -4.159 5.257 1.00 0.00 N ATOM 566 CA VAL A 35 -2.490 -2.716 5.107 1.00 0.00 C ATOM 567 C VAL A 35 -3.583 -2.227 4.175 1.00 0.00 C ATOM 568 O VAL A 35 -4.329 -1.311 4.509 1.00 0.00 O ATOM 569 CB VAL A 35 -1.107 -2.283 4.562 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.812 -2.929 3.223 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.029 -0.772 4.432 1.00 0.00 C ATOM 0 H VAL A 35 -1.769 -4.684 5.019 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.594 -2.270 6.096 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.356 -2.618 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.166 -2.603 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.815 -4.013 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.575 -2.636 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.049 -0.490 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.802 -0.426 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.181 -0.314 5.410 1.00 0.00 H new ATOM 581 N VAL A 36 -3.700 -2.875 3.019 1.00 0.00 N ATOM 582 CA VAL A 36 -4.735 -2.513 2.071 1.00 0.00 C ATOM 583 C VAL A 36 -6.056 -3.136 2.478 1.00 0.00 C ATOM 584 O VAL A 36 -7.100 -2.695 2.060 1.00 0.00 O ATOM 585 CB VAL A 36 -4.407 -2.900 0.620 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.451 -4.406 0.419 1.00 0.00 C ATOM 587 CG2 VAL A 36 -5.349 -2.173 -0.332 1.00 0.00 C ATOM 0 H VAL A 36 -3.097 -3.643 2.724 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.802 -1.425 2.097 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.386 -2.589 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.214 -4.642 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.722 -4.882 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.449 -4.776 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.113 -2.450 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.379 -2.452 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.230 -1.096 -0.210 1.00 0.00 H new ATOM 597 N ASN A 37 -6.012 -4.164 3.308 1.00 0.00 N ATOM 598 CA ASN A 37 -7.241 -4.799 3.765 1.00 0.00 C ATOM 599 C ASN A 37 -8.136 -3.739 4.376 1.00 0.00 C ATOM 600 O ASN A 37 -9.344 -3.704 4.140 1.00 0.00 O ATOM 601 CB ASN A 37 -6.924 -5.878 4.795 1.00 0.00 C ATOM 602 CG ASN A 37 -8.149 -6.640 5.253 1.00 0.00 C ATOM 603 OD1 ASN A 37 -8.880 -7.212 4.444 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.372 -6.656 6.561 1.00 0.00 N ATOM 0 H ASN A 37 -5.153 -4.574 3.676 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.749 -5.270 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.206 -6.579 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.446 -5.417 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.178 -7.157 6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.738 -6.167 7.193 1.00 0.00 H new ATOM 611 N GLU A 38 -7.510 -2.859 5.140 1.00 0.00 N ATOM 612 CA GLU A 38 -8.216 -1.757 5.779 1.00 0.00 C ATOM 613 C GLU A 38 -8.587 -0.698 4.744 1.00 0.00 C ATOM 614 O GLU A 38 -9.694 -0.165 4.754 1.00 0.00 O ATOM 615 CB GLU A 38 -7.356 -1.136 6.880 1.00 0.00 C ATOM 616 CG GLU A 38 -6.986 -2.111 7.986 1.00 0.00 C ATOM 617 CD GLU A 38 -6.145 -1.471 9.073 1.00 0.00 C ATOM 618 OE1 GLU A 38 -5.850 -0.262 8.964 1.00 0.00 O ATOM 619 OE2 GLU A 38 -5.781 -2.181 10.036 1.00 0.00 O ATOM 0 H GLU A 38 -6.509 -2.886 5.334 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.129 -2.147 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.443 -0.740 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.891 -0.292 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.897 -2.516 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.440 -2.951 7.557 1.00 0.00 H new ATOM 626 N ARG A 39 -7.646 -0.407 3.846 1.00 0.00 N ATOM 627 CA ARG A 39 -7.863 0.581 2.788 1.00 0.00 C ATOM 628 C ARG A 39 -8.902 0.089 1.791 1.00 0.00 C ATOM 629 O ARG A 39 -9.825 0.800 1.430 1.00 0.00 O ATOM 630 CB ARG A 39 -6.558 0.853 2.043 1.00 0.00 C ATOM 631 CG ARG A 39 -5.608 1.804 2.744 1.00 0.00 C ATOM 632 CD ARG A 39 -5.248 1.327 4.135 1.00 0.00 C ATOM 633 NE ARG A 39 -6.320 1.554 5.102 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.816 2.754 5.388 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.348 3.831 4.774 1.00 0.00 N ATOM 636 NH2 ARG A 39 -7.788 2.876 6.281 1.00 0.00 N ATOM 0 H ARG A 39 -6.724 -0.842 3.830 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.221 1.497 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.045 -0.095 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.796 1.259 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.699 1.910 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.065 2.792 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.014 0.263 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.347 1.841 4.470 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.710 0.745 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.606 3.740 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.730 4.751 4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.157 2.049 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.167 3.797 6.499 1.00 0.00 H new ATOM 650 N ARG A 40 -8.721 -1.139 1.356 1.00 0.00 N ATOM 651 CA ARG A 40 -9.618 -1.773 0.397 1.00 0.00 C ATOM 652 C ARG A 40 -11.073 -1.589 0.816 1.00 0.00 C ATOM 653 O ARG A 40 -11.934 -1.276 -0.008 1.00 0.00 O ATOM 654 CB ARG A 40 -9.284 -3.272 0.274 1.00 0.00 C ATOM 655 CG ARG A 40 -8.448 -3.641 -0.949 1.00 0.00 C ATOM 656 CD ARG A 40 -9.125 -3.202 -2.236 1.00 0.00 C ATOM 657 NE ARG A 40 -10.461 -3.777 -2.376 1.00 0.00 N ATOM 658 CZ ARG A 40 -11.283 -3.496 -3.381 1.00 0.00 C ATOM 659 NH1 ARG A 40 -10.913 -2.647 -4.330 1.00 0.00 N ATOM 660 NH2 ARG A 40 -12.480 -4.065 -3.436 1.00 0.00 N ATOM 0 H ARG A 40 -7.947 -1.733 1.654 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.479 -1.298 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.750 -3.586 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.216 -3.837 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.466 -3.174 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.287 -4.719 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.195 -2.114 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.512 -3.498 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.781 -4.431 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.994 -2.207 -4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.548 -2.434 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.768 -4.718 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.112 -3.850 -4.207 1.00 0.00 H new ATOM 674 N GLU A 41 -11.344 -1.795 2.102 1.00 0.00 N ATOM 675 CA GLU A 41 -12.703 -1.662 2.633 1.00 0.00 C ATOM 676 C GLU A 41 -13.068 -0.213 2.993 1.00 0.00 C ATOM 677 O GLU A 41 -14.223 0.191 2.846 1.00 0.00 O ATOM 678 CB GLU A 41 -12.877 -2.557 3.862 1.00 0.00 C ATOM 679 CG GLU A 41 -11.929 -2.220 5.002 1.00 0.00 C ATOM 680 CD GLU A 41 -12.130 -3.115 6.210 1.00 0.00 C ATOM 681 OE1 GLU A 41 -11.974 -4.345 6.069 1.00 0.00 O ATOM 682 OE2 GLU A 41 -12.444 -2.583 7.296 1.00 0.00 O ATOM 0 H GLU A 41 -10.644 -2.054 2.797 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.381 -1.976 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.904 -2.474 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.724 -3.596 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.900 -2.311 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.075 -1.181 5.296 1.00 0.00 H new ATOM 689 N GLU A 42 -12.097 0.556 3.485 1.00 0.00 N ATOM 690 CA GLU A 42 -12.345 1.944 3.887 1.00 0.00 C ATOM 691 C GLU A 42 -12.429 2.871 2.680 1.00 0.00 C ATOM 692 O GLU A 42 -13.252 3.784 2.636 1.00 0.00 O ATOM 693 CB GLU A 42 -11.242 2.426 4.833 1.00 0.00 C ATOM 694 CG GLU A 42 -11.430 3.856 5.318 1.00 0.00 C ATOM 695 CD GLU A 42 -12.677 4.035 6.166 1.00 0.00 C ATOM 696 OE1 GLU A 42 -13.380 3.033 6.413 1.00 0.00 O ATOM 697 OE2 GLU A 42 -12.948 5.180 6.586 1.00 0.00 O ATOM 0 H GLU A 42 -11.134 0.245 3.615 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.305 1.971 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.201 1.762 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.281 2.348 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.557 4.155 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.484 4.522 4.457 1.00 0.00 H new ATOM 704 N GLU A 43 -11.566 2.626 1.713 1.00 0.00 N ATOM 705 CA GLU A 43 -11.519 3.423 0.496 1.00 0.00 C ATOM 706 C GLU A 43 -12.848 3.366 -0.238 1.00 0.00 C ATOM 707 O GLU A 43 -13.394 4.400 -0.625 1.00 0.00 O ATOM 708 CB GLU A 43 -10.388 2.943 -0.402 1.00 0.00 C ATOM 709 CG GLU A 43 -9.081 3.670 -0.139 1.00 0.00 C ATOM 710 CD GLU A 43 -9.137 5.126 -0.561 1.00 0.00 C ATOM 711 OE1 GLU A 43 -9.326 5.386 -1.769 1.00 0.00 O ATOM 712 OE2 GLU A 43 -9.000 6.007 0.313 1.00 0.00 O ATOM 0 H GLU A 43 -10.879 1.873 1.745 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.330 4.461 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.240 1.873 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.673 3.083 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.842 3.611 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.275 3.169 -0.675 1.00 0.00 H new ATOM 719 N SER A 44 -13.384 2.159 -0.398 1.00 0.00 N ATOM 720 CA SER A 44 -14.671 1.996 -1.052 1.00 0.00 C ATOM 721 C SER A 44 -15.693 2.830 -0.299 1.00 0.00 C ATOM 722 O SER A 44 -16.605 3.416 -0.884 1.00 0.00 O ATOM 723 CB SER A 44 -15.088 0.523 -1.067 1.00 0.00 C ATOM 724 OG SER A 44 -16.344 0.354 -1.701 1.00 0.00 O ATOM 0 H SER A 44 -12.950 1.290 -0.086 1.00 0.00 H new ATOM 0 HA SER A 44 -14.605 2.329 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.333 -0.067 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.139 0.146 -0.046 1.00 0.00 H new ATOM 0 HG SER A 44 -16.586 -0.596 -1.699 1.00 0.00 H new ATOM 730 N ALA A 45 -15.496 2.889 1.014 1.00 0.00 N ATOM 731 CA ALA A 45 -16.351 3.662 1.897 1.00 0.00 C ATOM 732 C ALA A 45 -16.179 5.154 1.634 1.00 0.00 C ATOM 733 O ALA A 45 -17.151 5.907 1.611 1.00 0.00 O ATOM 734 CB ALA A 45 -16.018 3.334 3.345 1.00 0.00 C ATOM 0 H ALA A 45 -14.738 2.401 1.492 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.392 3.401 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.660 3.915 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.180 2.271 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.975 3.581 3.543 1.00 0.00 H new ATOM 740 N ALA A 46 -14.929 5.569 1.432 1.00 0.00 N ATOM 741 CA ALA A 46 -14.612 6.966 1.162 1.00 0.00 C ATOM 742 C ALA A 46 -15.278 7.436 -0.124 1.00 0.00 C ATOM 743 O ALA A 46 -15.778 8.558 -0.205 1.00 0.00 O ATOM 744 CB ALA A 46 -13.101 7.154 1.074 1.00 0.00 C ATOM 0 H ALA A 46 -14.117 4.952 1.451 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.997 7.569 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.876 8.201 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.642 6.860 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.704 6.536 0.269 1.00 0.00 H new ATOM 947 N GLU B 2 -10.454 -8.044 -2.119 1.00 0.00 N ATOM 948 CA GLU B 2 -9.421 -8.077 -3.148 1.00 0.00 C ATOM 949 C GLU B 2 -8.039 -8.197 -2.535 1.00 0.00 C ATOM 950 O GLU B 2 -7.131 -8.737 -3.151 1.00 0.00 O ATOM 951 CB GLU B 2 -9.486 -6.826 -4.018 1.00 0.00 C ATOM 952 CG GLU B 2 -10.746 -6.746 -4.851 1.00 0.00 C ATOM 953 CD GLU B 2 -10.788 -5.518 -5.741 1.00 0.00 C ATOM 954 OE1 GLU B 2 -9.813 -4.738 -5.723 1.00 0.00 O ATOM 955 OE2 GLU B 2 -11.794 -5.341 -6.459 1.00 0.00 O ATOM 0 HA GLU B 2 -9.605 -8.955 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.423 -5.944 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.619 -6.805 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -10.824 -7.640 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -11.613 -6.739 -4.190 1.00 0.00 H new ATOM 962 N ALA B 3 -7.891 -7.687 -1.324 1.00 0.00 N ATOM 963 CA ALA B 3 -6.611 -7.731 -0.621 1.00 0.00 C ATOM 964 C ALA B 3 -6.301 -9.145 -0.177 1.00 0.00 C ATOM 965 O ALA B 3 -5.148 -9.533 -0.010 1.00 0.00 O ATOM 966 CB ALA B 3 -6.637 -6.797 0.578 1.00 0.00 C ATOM 0 H ALA B 3 -8.642 -7.235 -0.802 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.828 -7.402 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.677 -6.839 1.093 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.823 -5.777 0.241 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.429 -7.104 1.261 1.00 0.00 H new ATOM 972 N LEU B 4 -7.359 -9.893 0.029 1.00 0.00 N ATOM 973 CA LEU B 4 -7.277 -11.266 0.475 1.00 0.00 C ATOM 974 C LEU B 4 -7.053 -12.217 -0.692 1.00 0.00 C ATOM 975 O LEU B 4 -6.269 -13.160 -0.603 1.00 0.00 O ATOM 976 CB LEU B 4 -8.575 -11.609 1.201 1.00 0.00 C ATOM 977 CG LEU B 4 -8.896 -10.712 2.403 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.651 -10.502 3.246 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.468 -9.374 1.947 1.00 0.00 C ATOM 0 H LEU B 4 -8.314 -9.562 -0.110 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.426 -11.378 1.147 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.399 -11.549 0.490 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.522 -12.643 1.541 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.651 -11.209 3.012 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.891 -9.864 4.096 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.289 -11.465 3.606 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.878 -10.026 2.642 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.687 -8.756 2.818 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.741 -8.864 1.314 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.385 -9.544 1.382 1.00 0.00 H new ATOM 991 N LYS B 5 -7.762 -11.960 -1.777 1.00 0.00 N ATOM 992 CA LYS B 5 -7.672 -12.787 -2.975 1.00 0.00 C ATOM 993 C LYS B 5 -6.512 -12.356 -3.867 1.00 0.00 C ATOM 994 O LYS B 5 -6.014 -13.146 -4.669 1.00 0.00 O ATOM 995 CB LYS B 5 -8.989 -12.747 -3.758 1.00 0.00 C ATOM 996 CG LYS B 5 -9.338 -11.378 -4.316 1.00 0.00 C ATOM 997 CD LYS B 5 -8.511 -11.044 -5.548 1.00 0.00 C ATOM 998 CE LYS B 5 -8.885 -9.688 -6.126 1.00 0.00 C ATOM 999 NZ LYS B 5 -8.090 -9.363 -7.341 1.00 0.00 N ATOM 0 H LYS B 5 -8.413 -11.179 -1.856 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.484 -13.812 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -8.931 -13.459 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.797 -13.078 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -10.398 -11.348 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -9.172 -10.620 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.452 -11.049 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -8.657 -11.815 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -9.946 -9.680 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.728 -8.916 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.375 -8.431 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -7.079 -9.346 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -8.260 -10.085 -8.070 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.087 -11.102 -3.732 1.00 0.00 N ATOM 1014 CA ILE B 6 -4.990 -10.587 -4.532 1.00 0.00 C ATOM 1015 C ILE B 6 -3.798 -11.496 -4.356 1.00 0.00 C ATOM 1016 O ILE B 6 -3.315 -12.116 -5.305 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.628 -9.135 -4.122 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.468 -8.584 -4.952 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.291 -9.047 -2.643 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.129 -9.255 -4.712 1.00 0.00 C ATOM 0 H ILE B 6 -6.487 -10.430 -3.077 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.291 -10.563 -5.579 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.509 -8.524 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.720 -8.679 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.366 -7.519 -4.743 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.042 -8.017 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.150 -9.369 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.439 -9.691 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.372 -8.794 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.846 -9.138 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.206 -10.316 -4.951 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.354 -11.592 -3.120 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.252 -12.442 -2.772 1.00 0.00 C ATOM 1034 C LEU B 7 -2.793 -13.838 -2.521 1.00 0.00 C ATOM 1035 O LEU B 7 -2.043 -14.806 -2.397 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.535 -11.882 -1.534 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.742 -12.654 -0.225 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.769 -13.818 -0.123 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.592 -11.726 0.966 1.00 0.00 C ATOM 0 H LEU B 7 -3.752 -11.080 -2.333 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.522 -12.484 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.466 -11.845 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.866 -10.855 -1.382 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.754 -13.059 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.935 -14.350 0.814 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.927 -14.498 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.253 -13.441 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.742 -12.289 1.887 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.592 -11.291 0.965 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.334 -10.930 0.903 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.122 -13.920 -2.447 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.798 -15.193 -2.199 1.00 0.00 C ATOM 1053 C ASN B 8 -4.378 -15.773 -0.848 1.00 0.00 C ATOM 1054 O ASN B 8 -4.291 -16.991 -0.686 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.483 -16.199 -3.313 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.069 -15.794 -4.651 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -6.286 -15.699 -4.804 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -4.203 -15.555 -5.628 1.00 0.00 N ATOM 0 H ASN B 8 -4.749 -13.123 -2.555 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.872 -15.005 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.402 -16.300 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.871 -17.178 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.539 -15.280 -6.551 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.202 -15.646 -5.456 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.128 -14.887 0.117 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.721 -15.287 1.464 1.00 0.00 C ATOM 1067 C ASN B 9 -2.395 -16.047 1.448 1.00 0.00 C ATOM 1068 O ASN B 9 -2.232 -17.026 0.722 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.810 -16.145 2.115 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.130 -15.412 2.271 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -7.118 -15.984 2.735 1.00 0.00 O ATOM 1072 ND2 ASN B 9 -6.160 -14.139 1.888 1.00 0.00 N ATOM 0 H ASN B 9 -4.201 -13.878 -0.012 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.580 -14.379 2.050 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -4.967 -17.040 1.514 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.467 -16.476 3.095 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.022 -13.601 1.974 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -5.321 -13.701 1.509 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.449 -15.584 2.265 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.131 -16.212 2.359 1.00 0.00 C ATOM 1081 C ILE B 10 -0.244 -17.678 2.764 1.00 0.00 C ATOM 1082 O ILE B 10 0.611 -18.490 2.417 1.00 0.00 O ATOM 1083 CB ILE B 10 0.795 -15.481 3.351 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.186 -15.448 4.759 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.093 -14.073 2.853 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -0.982 -14.498 4.906 1.00 0.00 C ATOM 0 H ILE B 10 -1.571 -14.774 2.873 1.00 0.00 H new ATOM 0 HA ILE B 10 0.310 -16.144 1.364 1.00 0.00 H new ATOM 0 HB ILE B 10 1.733 -16.033 3.413 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.142 -16.453 5.025 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.961 -15.166 5.472 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.748 -13.567 3.562 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.584 -14.127 1.881 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.161 -13.516 2.759 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.354 -14.535 5.930 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.657 -13.484 4.674 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.777 -14.790 4.220 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.298 -18.013 3.498 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.510 -19.388 3.938 1.00 0.00 C ATOM 1100 C ARG B 11 -1.626 -20.329 2.738 1.00 0.00 C ATOM 1101 O ARG B 11 -0.954 -21.361 2.673 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.771 -19.476 4.801 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.017 -18.938 4.117 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.238 -19.035 5.019 1.00 0.00 C ATOM 1105 NE ARG B 11 -6.442 -18.526 4.366 1.00 0.00 N ATOM 1106 CZ ARG B 11 -7.639 -18.500 4.945 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -7.792 -18.950 6.184 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -8.686 -18.024 4.284 1.00 0.00 N ATOM 0 H ARG B 11 -2.017 -17.355 3.800 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.650 -19.695 4.533 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -2.940 -20.517 5.078 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.607 -18.923 5.726 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.856 -17.898 3.832 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.198 -19.496 3.198 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.394 -20.074 5.308 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.057 -18.473 5.935 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.360 -18.171 3.413 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.990 -19.318 6.696 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.712 -18.928 6.625 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.573 -17.678 3.331 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.604 -18.004 4.729 1.00 0.00 H new ATOM 1122 N THR B 12 -2.478 -19.960 1.788 1.00 0.00 N ATOM 1123 CA THR B 12 -2.682 -20.759 0.587 1.00 0.00 C ATOM 1124 C THR B 12 -1.544 -20.555 -0.407 1.00 0.00 C ATOM 1125 O THR B 12 -1.116 -21.496 -1.079 1.00 0.00 O ATOM 1126 CB THR B 12 -4.019 -20.410 -0.096 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.108 -20.665 0.799 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.207 -21.222 -1.370 1.00 0.00 C ATOM 0 H THR B 12 -3.040 -19.110 1.827 1.00 0.00 H new ATOM 0 HA THR B 12 -2.704 -21.803 0.898 1.00 0.00 H new ATOM 0 HB THR B 12 -4.001 -19.352 -0.357 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.954 -20.439 0.358 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.158 -20.957 -1.833 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.393 -21.006 -2.062 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.205 -22.285 -1.128 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.069 -19.316 -0.503 1.00 0.00 N ATOM 1137 CA LEU B 13 0.008 -18.980 -1.422 1.00 0.00 C ATOM 1138 C LEU B 13 1.288 -19.730 -1.073 1.00 0.00 C ATOM 1139 O LEU B 13 1.888 -20.376 -1.929 1.00 0.00 O ATOM 1140 CB LEU B 13 0.270 -17.471 -1.420 1.00 0.00 C ATOM 1141 CG LEU B 13 1.288 -16.983 -2.460 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.236 -15.470 -2.581 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.698 -17.433 -2.096 1.00 0.00 C ATOM 0 H LEU B 13 -1.415 -18.529 0.046 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.306 -19.284 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.675 -16.954 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.619 -17.180 -0.429 1.00 0.00 H new ATOM 0 HG LEU B 13 1.026 -17.423 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.963 -15.139 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.237 -15.164 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.470 -15.020 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.400 -17.074 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.970 -17.025 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.734 -18.522 -2.056 1.00 0.00 H new ATOM 1155 N ARG B 14 1.709 -19.624 0.179 1.00 0.00 N ATOM 1156 CA ARG B 14 2.925 -20.274 0.644 1.00 0.00 C ATOM 1157 C ARG B 14 2.979 -21.731 0.202 1.00 0.00 C ATOM 1158 O ARG B 14 4.056 -22.279 -0.024 1.00 0.00 O ATOM 1159 CB ARG B 14 2.992 -20.185 2.165 1.00 0.00 C ATOM 1160 CG ARG B 14 4.302 -20.665 2.754 1.00 0.00 C ATOM 1161 CD ARG B 14 4.306 -20.495 4.259 1.00 0.00 C ATOM 1162 NE ARG B 14 5.611 -20.787 4.847 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.223 -21.966 4.752 1.00 0.00 C ATOM 1164 NH1 ARG B 14 5.644 -22.970 4.107 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.414 -22.140 5.305 1.00 0.00 N ATOM 0 H ARG B 14 1.221 -19.089 0.897 1.00 0.00 H new ATOM 0 HA ARG B 14 3.782 -19.763 0.205 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.828 -19.150 2.466 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.178 -20.773 2.589 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.458 -21.714 2.501 1.00 0.00 H new ATOM 0 HG3 ARG B 14 5.129 -20.106 2.318 1.00 0.00 H new ATOM 0 HD2 ARG B 14 4.018 -19.473 4.508 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.557 -21.153 4.699 1.00 0.00 H new ATOM 0 HE ARG B 14 6.082 -20.043 5.361 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.726 -22.841 3.681 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.117 -23.871 4.037 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.862 -21.371 5.803 1.00 0.00 H new ATOM 0 HH22 ARG B 14 7.883 -23.043 5.232 1.00 0.00 H new ATOM 1179 N ALA B 15 1.812 -22.350 0.093 1.00 0.00 N ATOM 1180 CA ALA B 15 1.717 -23.749 -0.310 1.00 0.00 C ATOM 1181 C ALA B 15 1.725 -23.915 -1.825 1.00 0.00 C ATOM 1182 O ALA B 15 2.487 -24.716 -2.366 1.00 0.00 O ATOM 1183 CB ALA B 15 0.458 -24.368 0.259 1.00 0.00 C ATOM 0 H ALA B 15 0.913 -21.905 0.279 1.00 0.00 H new ATOM 0 HA ALA B 15 2.596 -24.258 0.085 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.396 -25.412 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.484 -24.310 1.347 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.413 -23.828 -0.113 1.00 0.00 H new ATOM 1189 N GLN B 16 0.872 -23.158 -2.505 1.00 0.00 N ATOM 1190 CA GLN B 16 0.789 -23.234 -3.964 1.00 0.00 C ATOM 1191 C GLN B 16 2.112 -22.818 -4.577 1.00 0.00 C ATOM 1192 O GLN B 16 2.536 -23.341 -5.609 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.334 -22.333 -4.483 1.00 0.00 C ATOM 1194 CG GLN B 16 -0.248 -20.922 -3.937 1.00 0.00 C ATOM 1195 CD GLN B 16 -1.355 -20.010 -4.427 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -2.522 -20.398 -4.480 1.00 0.00 O ATOM 1197 NE2 GLN B 16 -0.993 -18.773 -4.758 1.00 0.00 N ATOM 0 H GLN B 16 0.232 -22.489 -2.077 1.00 0.00 H new ATOM 0 HA GLN B 16 0.569 -24.263 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.295 -22.300 -5.572 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.297 -22.766 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -0.277 -20.961 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.714 -20.492 -4.215 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.013 -18.495 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -1.695 -18.103 -5.071 1.00 0.00 H new ATOM 1206 N ALA B 17 2.755 -21.879 -3.913 1.00 0.00 N ATOM 1207 CA ALA B 17 4.041 -21.365 -4.340 1.00 0.00 C ATOM 1208 C ALA B 17 5.156 -22.237 -3.806 1.00 0.00 C ATOM 1209 O ALA B 17 6.253 -22.265 -4.360 1.00 0.00 O ATOM 1210 CB ALA B 17 4.223 -19.940 -3.872 1.00 0.00 C ATOM 0 H ALA B 17 2.399 -21.449 -3.059 1.00 0.00 H new ATOM 0 HA ALA B 17 4.075 -21.379 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.194 -19.570 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.435 -19.315 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.172 -19.905 -2.784 1.00 0.00 H new ATOM 1216 N ARG B 18 4.866 -22.943 -2.714 1.00 0.00 N ATOM 1217 CA ARG B 18 5.850 -23.821 -2.094 1.00 0.00 C ATOM 1218 C ARG B 18 6.557 -24.646 -3.160 1.00 0.00 C ATOM 1219 O ARG B 18 7.732 -24.990 -3.021 1.00 0.00 O ATOM 1220 CB ARG B 18 5.179 -24.751 -1.080 1.00 0.00 C ATOM 1221 CG ARG B 18 6.156 -25.644 -0.331 1.00 0.00 C ATOM 1222 CD ARG B 18 7.152 -24.823 0.473 1.00 0.00 C ATOM 1223 NE ARG B 18 8.106 -25.664 1.195 1.00 0.00 N ATOM 1224 CZ ARG B 18 7.762 -26.510 2.163 1.00 0.00 C ATOM 1225 NH1 ARG B 18 6.495 -26.616 2.540 1.00 0.00 N ATOM 1226 NH2 ARG B 18 8.690 -27.247 2.758 1.00 0.00 N ATOM 0 H ARG B 18 3.961 -22.923 -2.244 1.00 0.00 H new ATOM 0 HA ARG B 18 6.582 -23.204 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.625 -24.149 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.453 -25.377 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG B 18 5.607 -26.308 0.336 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.691 -26.276 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG B 18 7.694 -24.155 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.614 -24.195 1.183 1.00 0.00 H new ATOM 0 HE ARG B 18 9.092 -25.598 0.942 1.00 0.00 H new ATOM 0 HH11 ARG B 18 5.779 -26.048 2.088 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.236 -27.266 3.282 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.666 -27.165 2.474 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.428 -27.896 3.500 1.00 0.00 H new ATOM 1240 N GLU B 19 5.828 -24.952 -4.227 1.00 0.00 N ATOM 1241 CA GLU B 19 6.377 -25.732 -5.328 1.00 0.00 C ATOM 1242 C GLU B 19 7.118 -24.843 -6.327 1.00 0.00 C ATOM 1243 O GLU B 19 7.182 -25.160 -7.515 1.00 0.00 O ATOM 1244 CB GLU B 19 5.262 -26.495 -6.043 1.00 0.00 C ATOM 1245 CG GLU B 19 4.503 -27.453 -5.139 1.00 0.00 C ATOM 1246 CD GLU B 19 3.400 -28.196 -5.869 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.224 -27.958 -7.081 1.00 0.00 O ATOM 1248 OE2 GLU B 19 2.711 -29.016 -5.226 1.00 0.00 O ATOM 0 H GLU B 19 4.855 -24.672 -4.352 1.00 0.00 H new ATOM 0 HA GLU B 19 7.091 -26.441 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.560 -25.779 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.691 -27.056 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.201 -28.174 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.072 -26.896 -4.307 1.00 0.00 H new ATOM 1255 N SER B 20 7.680 -23.733 -5.848 1.00 0.00 N ATOM 1256 CA SER B 20 8.412 -22.821 -6.722 1.00 0.00 C ATOM 1257 C SER B 20 9.263 -21.836 -5.918 1.00 0.00 C ATOM 1258 O SER B 20 9.640 -22.109 -4.778 1.00 0.00 O ATOM 1259 CB SER B 20 7.434 -22.060 -7.619 1.00 0.00 C ATOM 1260 OG SER B 20 6.550 -21.263 -6.852 1.00 0.00 O ATOM 0 H SER B 20 7.643 -23.447 -4.870 1.00 0.00 H new ATOM 0 HA SER B 20 9.084 -23.415 -7.341 1.00 0.00 H new ATOM 0 HB2 SER B 20 7.989 -21.428 -8.312 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.862 -22.767 -8.220 1.00 0.00 H new ATOM 0 HG SER B 20 6.370 -21.705 -5.996 1.00 0.00 H new ATOM 1266 N THR B 21 9.565 -20.691 -6.527 1.00 0.00 N ATOM 1267 CA THR B 21 10.377 -19.659 -5.887 1.00 0.00 C ATOM 1268 C THR B 21 9.494 -18.553 -5.313 1.00 0.00 C ATOM 1269 O THR B 21 8.314 -18.453 -5.652 1.00 0.00 O ATOM 1270 CB THR B 21 11.381 -19.048 -6.887 1.00 0.00 C ATOM 1271 OG1 THR B 21 12.127 -20.090 -7.525 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.340 -18.094 -6.192 1.00 0.00 C ATOM 0 H THR B 21 9.257 -20.454 -7.470 1.00 0.00 H new ATOM 0 HA THR B 21 10.930 -20.132 -5.075 1.00 0.00 H new ATOM 0 HB THR B 21 10.815 -18.488 -7.631 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.761 -19.696 -8.160 1.00 0.00 H new ATOM 0 HG21 THR B 21 13.035 -17.680 -6.923 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.776 -17.285 -5.728 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.898 -18.633 -5.426 1.00 0.00 H new ATOM 1280 N LEU B 22 10.068 -17.721 -4.444 1.00 0.00 N ATOM 1281 CA LEU B 22 9.336 -16.630 -3.835 1.00 0.00 C ATOM 1282 C LEU B 22 8.805 -15.682 -4.902 1.00 0.00 C ATOM 1283 O LEU B 22 7.966 -14.847 -4.620 1.00 0.00 O ATOM 1284 CB LEU B 22 10.209 -15.872 -2.831 1.00 0.00 C ATOM 1285 CG LEU B 22 10.686 -14.492 -3.285 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.272 -13.730 -2.116 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.695 -14.596 -4.412 1.00 0.00 C ATOM 0 H LEU B 22 11.042 -17.789 -4.150 1.00 0.00 H new ATOM 0 HA LEU B 22 8.490 -17.054 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.649 -15.757 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.083 -16.482 -2.602 1.00 0.00 H new ATOM 0 HG LEU B 22 9.822 -13.947 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.608 -12.749 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.513 -13.608 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.118 -14.283 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.012 -13.597 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.560 -15.166 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.238 -15.100 -5.264 1.00 0.00 H new ATOM 1299 N GLU B 23 9.309 -15.810 -6.126 1.00 0.00 N ATOM 1300 CA GLU B 23 8.880 -14.950 -7.227 1.00 0.00 C ATOM 1301 C GLU B 23 7.374 -14.715 -7.165 1.00 0.00 C ATOM 1302 O GLU B 23 6.875 -13.685 -7.624 1.00 0.00 O ATOM 1303 CB GLU B 23 9.250 -15.580 -8.569 1.00 0.00 C ATOM 1304 CG GLU B 23 8.582 -16.924 -8.816 1.00 0.00 C ATOM 1305 CD GLU B 23 8.961 -17.527 -10.155 1.00 0.00 C ATOM 1306 OE1 GLU B 23 8.687 -16.886 -11.192 1.00 0.00 O ATOM 1307 OE2 GLU B 23 9.531 -18.637 -10.166 1.00 0.00 O ATOM 0 H GLU B 23 10.015 -16.501 -6.382 1.00 0.00 H new ATOM 0 HA GLU B 23 9.391 -13.992 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.975 -14.894 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.332 -15.707 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.859 -17.615 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.500 -16.801 -8.770 1.00 0.00 H new ATOM 1314 N THR B 24 6.663 -15.666 -6.562 1.00 0.00 N ATOM 1315 CA THR B 24 5.222 -15.554 -6.399 1.00 0.00 C ATOM 1316 C THR B 24 4.870 -14.221 -5.750 1.00 0.00 C ATOM 1317 O THR B 24 3.915 -13.562 -6.155 1.00 0.00 O ATOM 1318 CB THR B 24 4.659 -16.708 -5.547 1.00 0.00 C ATOM 1319 OG1 THR B 24 3.266 -16.497 -5.294 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.411 -16.822 -4.231 1.00 0.00 C ATOM 0 H THR B 24 7.065 -16.522 -6.179 1.00 0.00 H new ATOM 0 HA THR B 24 4.771 -15.610 -7.390 1.00 0.00 H new ATOM 0 HB THR B 24 4.787 -17.638 -6.101 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.846 -17.347 -5.046 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.997 -17.643 -3.645 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.465 -17.014 -4.430 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.310 -15.891 -3.673 1.00 0.00 H new ATOM 1328 N LEU B 25 5.660 -13.815 -4.753 1.00 0.00 N ATOM 1329 CA LEU B 25 5.433 -12.543 -4.090 1.00 0.00 C ATOM 1330 C LEU B 25 5.759 -11.394 -5.034 1.00 0.00 C ATOM 1331 O LEU B 25 4.990 -10.453 -5.164 1.00 0.00 O ATOM 1332 CB LEU B 25 6.224 -12.416 -2.773 1.00 0.00 C ATOM 1333 CG LEU B 25 7.683 -12.906 -2.765 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.570 -12.071 -3.673 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.228 -12.874 -1.348 1.00 0.00 C ATOM 0 H LEU B 25 6.453 -14.347 -4.395 1.00 0.00 H new ATOM 0 HA LEU B 25 4.377 -12.497 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.221 -11.366 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.682 -12.964 -2.002 1.00 0.00 H new ATOM 0 HG LEU B 25 7.689 -13.928 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.590 -12.453 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.199 -12.127 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.558 -11.033 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.261 -13.222 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.188 -11.854 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.626 -13.523 -0.712 1.00 0.00 H new ATOM 1347 N GLU B 26 6.878 -11.480 -5.730 1.00 0.00 N ATOM 1348 CA GLU B 26 7.226 -10.436 -6.670 1.00 0.00 C ATOM 1349 C GLU B 26 6.070 -10.266 -7.643 1.00 0.00 C ATOM 1350 O GLU B 26 5.860 -9.196 -8.211 1.00 0.00 O ATOM 1351 CB GLU B 26 8.529 -10.769 -7.400 1.00 0.00 C ATOM 1352 CG GLU B 26 8.831 -9.847 -8.570 1.00 0.00 C ATOM 1353 CD GLU B 26 10.125 -10.203 -9.275 1.00 0.00 C ATOM 1354 OE1 GLU B 26 11.187 -10.178 -8.616 1.00 0.00 O ATOM 1355 OE2 GLU B 26 10.078 -10.510 -10.484 1.00 0.00 O ATOM 0 H GLU B 26 7.548 -12.246 -5.664 1.00 0.00 H new ATOM 0 HA GLU B 26 7.395 -9.499 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.355 -10.721 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.479 -11.796 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.009 -9.891 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.888 -8.819 -8.212 1.00 0.00 H new ATOM 1362 N GLU B 27 5.301 -11.342 -7.797 1.00 0.00 N ATOM 1363 CA GLU B 27 4.137 -11.343 -8.666 1.00 0.00 C ATOM 1364 C GLU B 27 2.914 -10.763 -7.953 1.00 0.00 C ATOM 1365 O GLU B 27 2.274 -9.848 -8.456 1.00 0.00 O ATOM 1366 CB GLU B 27 3.839 -12.767 -9.140 1.00 0.00 C ATOM 1367 CG GLU B 27 2.481 -12.919 -9.805 1.00 0.00 C ATOM 1368 CD GLU B 27 2.254 -14.311 -10.356 1.00 0.00 C ATOM 1369 OE1 GLU B 27 3.037 -14.738 -11.231 1.00 0.00 O ATOM 1370 OE2 GLU B 27 1.296 -14.978 -9.913 1.00 0.00 O ATOM 0 H GLU B 27 5.470 -12.230 -7.324 1.00 0.00 H new ATOM 0 HA GLU B 27 4.357 -10.714 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.614 -13.076 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.893 -13.443 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.699 -12.686 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.394 -12.194 -10.614 1.00 0.00 H new ATOM 1377 N MET B 28 2.593 -11.319 -6.785 1.00 0.00 N ATOM 1378 CA MET B 28 1.439 -10.874 -6.005 1.00 0.00 C ATOM 1379 C MET B 28 1.795 -9.742 -5.041 1.00 0.00 C ATOM 1380 O MET B 28 1.078 -8.749 -4.946 1.00 0.00 O ATOM 1381 CB MET B 28 0.848 -12.048 -5.222 1.00 0.00 C ATOM 1382 CG MET B 28 0.395 -13.202 -6.100 1.00 0.00 C ATOM 1383 SD MET B 28 -0.892 -12.724 -7.269 1.00 0.00 S ATOM 1384 CE MET B 28 -1.191 -14.283 -8.097 1.00 0.00 C ATOM 0 H MET B 28 3.118 -12.081 -6.357 1.00 0.00 H new ATOM 0 HA MET B 28 0.702 -10.490 -6.711 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.592 -12.412 -4.514 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.001 -11.693 -4.638 1.00 0.00 H new ATOM 0 HG2 MET B 28 1.251 -13.593 -6.649 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.025 -14.010 -5.469 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.319 -14.109 -9.165 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.343 -14.949 -7.937 1.00 0.00 H new ATOM 0 HE3 MET B 28 -2.094 -14.742 -7.694 1.00 0.00 H new ATOM 1394 N LEU B 29 2.902 -9.910 -4.325 1.00 0.00 N ATOM 1395 CA LEU B 29 3.369 -8.915 -3.354 1.00 0.00 C ATOM 1396 C LEU B 29 3.535 -7.551 -4.022 1.00 0.00 C ATOM 1397 O LEU B 29 3.202 -6.519 -3.445 1.00 0.00 O ATOM 1398 CB LEU B 29 4.695 -9.386 -2.734 1.00 0.00 C ATOM 1399 CG LEU B 29 5.270 -8.545 -1.593 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.338 -8.531 -0.394 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.627 -9.097 -1.187 1.00 0.00 C ATOM 0 H LEU B 29 3.501 -10.733 -4.397 1.00 0.00 H new ATOM 0 HA LEU B 29 2.627 -8.810 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.554 -10.403 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.441 -9.434 -3.527 1.00 0.00 H new ATOM 0 HG LEU B 29 5.380 -7.519 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.775 -7.925 0.400 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.376 -8.108 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.193 -9.550 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU B 29 7.036 -8.497 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.515 -10.129 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.304 -9.061 -2.040 1.00 0.00 H new ATOM 1413 N GLU B 30 4.037 -7.559 -5.252 1.00 0.00 N ATOM 1414 CA GLU B 30 4.233 -6.324 -6.010 1.00 0.00 C ATOM 1415 C GLU B 30 2.896 -5.657 -6.319 1.00 0.00 C ATOM 1416 O GLU B 30 2.816 -4.437 -6.450 1.00 0.00 O ATOM 1417 CB GLU B 30 4.980 -6.606 -7.314 1.00 0.00 C ATOM 1418 CG GLU B 30 5.164 -5.377 -8.190 1.00 0.00 C ATOM 1419 CD GLU B 30 5.918 -5.680 -9.471 1.00 0.00 C ATOM 1420 OE1 GLU B 30 5.432 -6.516 -10.262 1.00 0.00 O ATOM 1421 OE2 GLU B 30 6.992 -5.081 -9.682 1.00 0.00 O ATOM 0 H GLU B 30 4.316 -8.406 -5.747 1.00 0.00 H new ATOM 0 HA GLU B 30 4.829 -5.648 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.959 -7.024 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.437 -7.365 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.187 -4.963 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.702 -4.613 -7.629 1.00 0.00 H new ATOM 1428 N LYS B 31 1.850 -6.463 -6.443 1.00 0.00 N ATOM 1429 CA LYS B 31 0.521 -5.941 -6.741 1.00 0.00 C ATOM 1430 C LYS B 31 -0.184 -5.572 -5.453 1.00 0.00 C ATOM 1431 O LYS B 31 -0.975 -4.633 -5.398 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.288 -6.968 -7.520 1.00 0.00 C ATOM 1433 CG LYS B 31 0.543 -7.687 -8.560 1.00 0.00 C ATOM 1434 CD LYS B 31 1.219 -6.716 -9.519 1.00 0.00 C ATOM 1435 CE LYS B 31 2.185 -7.435 -10.447 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.500 -8.467 -11.272 1.00 0.00 N ATOM 0 H LYS B 31 1.894 -7.477 -6.343 1.00 0.00 H new ATOM 0 HA LYS B 31 0.619 -5.047 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.708 -7.697 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.127 -6.472 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.301 -8.293 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.093 -8.370 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.462 -6.199 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.755 -5.956 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.668 -6.709 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.972 -7.905 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.162 -8.838 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.178 -9.244 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.681 -8.041 -11.750 1.00 0.00 H new ATOM 1450 N LEU B 32 0.130 -6.325 -4.415 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.435 -6.098 -3.106 1.00 0.00 C ATOM 1452 C LEU B 32 0.072 -4.776 -2.549 1.00 0.00 C ATOM 1453 O LEU B 32 -0.565 -4.156 -1.699 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.076 -7.244 -2.182 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.705 -7.148 -0.795 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.218 -7.050 -0.902 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.306 -8.343 0.040 1.00 0.00 C ATOM 0 H LEU B 32 0.782 -7.108 -4.459 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.521 -6.048 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.386 -8.181 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.008 -7.284 -2.075 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.340 -6.245 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.650 -6.982 0.097 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.486 -6.162 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.605 -7.936 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.760 -8.265 1.028 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.649 -9.257 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.779 -8.371 0.141 1.00 0.00 H new ATOM 1469 N GLU B 33 1.224 -4.338 -3.047 1.00 0.00 N ATOM 1470 CA GLU B 33 1.792 -3.069 -2.611 1.00 0.00 C ATOM 1471 C GLU B 33 1.202 -1.932 -3.431 1.00 0.00 C ATOM 1472 O GLU B 33 0.878 -0.876 -2.893 1.00 0.00 O ATOM 1473 CB GLU B 33 3.318 -3.067 -2.708 1.00 0.00 C ATOM 1474 CG GLU B 33 3.850 -3.281 -4.117 1.00 0.00 C ATOM 1475 CD GLU B 33 5.329 -2.974 -4.243 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.733 -1.843 -3.901 1.00 0.00 O ATOM 1477 OE2 GLU B 33 6.085 -3.863 -4.693 1.00 0.00 O ATOM 0 H GLU B 33 1.776 -4.837 -3.745 1.00 0.00 H new ATOM 0 HA GLU B 33 1.536 -2.927 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.694 -2.117 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.714 -3.848 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.672 -4.315 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.293 -2.650 -4.810 1.00 0.00 H new ATOM 1484 N VAL B 34 1.051 -2.160 -4.737 1.00 0.00 N ATOM 1485 CA VAL B 34 0.481 -1.150 -5.616 1.00 0.00 C ATOM 1486 C VAL B 34 -0.995 -0.949 -5.296 1.00 0.00 C ATOM 1487 O VAL B 34 -1.506 0.172 -5.363 1.00 0.00 O ATOM 1488 CB VAL B 34 0.643 -1.498 -7.111 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.113 -1.683 -7.460 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.162 -2.734 -7.477 1.00 0.00 C ATOM 0 H VAL B 34 1.314 -3.029 -5.202 1.00 0.00 H new ATOM 0 HA VAL B 34 1.034 -0.228 -5.435 1.00 0.00 H new ATOM 0 HB VAL B 34 0.254 -0.665 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.208 -1.928 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.655 -0.761 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.530 -2.493 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.028 -2.955 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.182 -3.581 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.218 -2.554 -7.274 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.674 -2.038 -4.922 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.083 -1.952 -4.565 1.00 0.00 C ATOM 1502 C VAL B 35 -3.244 -0.946 -3.441 1.00 0.00 C ATOM 1503 O VAL B 35 -4.059 -0.031 -3.529 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.676 -3.318 -4.133 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -2.915 -3.906 -2.963 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -5.144 -3.177 -3.773 1.00 0.00 C ATOM 0 H VAL B 35 -1.273 -2.974 -4.861 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.632 -1.635 -5.452 1.00 0.00 H new ATOM 0 HB VAL B 35 -3.581 -3.997 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -3.357 -4.863 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -1.873 -4.055 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -2.967 -3.223 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -5.540 -4.147 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.250 -2.471 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -5.697 -2.811 -4.638 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.429 -1.095 -2.401 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.465 -0.165 -1.289 1.00 0.00 C ATOM 1518 C VAL B 36 -1.674 1.085 -1.630 1.00 0.00 C ATOM 1519 O VAL B 36 -1.852 2.109 -1.017 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.956 -0.762 0.037 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.470 -1.078 -0.017 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.291 0.175 1.190 1.00 0.00 C ATOM 0 H VAL B 36 -1.744 -1.845 -2.309 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.515 0.081 -1.132 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.466 -1.711 0.203 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.152 -1.497 0.938 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.280 -1.800 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL B 36 0.089 -0.164 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.928 -0.254 2.124 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.814 1.141 1.024 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.371 0.309 1.248 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.803 0.999 -2.620 1.00 0.00 N ATOM 1533 CA ASN B 37 -0.022 2.161 -3.026 1.00 0.00 C ATOM 1534 C ASN B 37 -0.971 3.287 -3.388 1.00 0.00 C ATOM 1535 O ASN B 37 -0.775 4.442 -3.006 1.00 0.00 O ATOM 1536 CB ASN B 37 0.854 1.813 -4.226 1.00 0.00 C ATOM 1537 CG ASN B 37 1.730 2.963 -4.674 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.509 3.511 -3.896 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.608 3.332 -5.946 1.00 0.00 N ATOM 0 H ASN B 37 -0.618 0.150 -3.154 1.00 0.00 H new ATOM 0 HA ASN B 37 0.624 2.472 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.485 0.961 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.218 1.504 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN B 37 2.174 4.098 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.949 2.849 -6.556 1.00 0.00 H new ATOM 1546 N GLU B 38 -2.018 2.918 -4.108 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.044 3.869 -4.519 1.00 0.00 C ATOM 1548 C GLU B 38 -3.852 4.315 -3.306 1.00 0.00 C ATOM 1549 O GLU B 38 -4.145 5.498 -3.139 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.966 3.243 -5.567 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.245 2.798 -6.832 1.00 0.00 C ATOM 1552 CD GLU B 38 -2.635 3.953 -7.602 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -2.807 5.114 -7.175 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -1.988 3.696 -8.640 1.00 0.00 O ATOM 0 H GLU B 38 -2.182 1.962 -4.422 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.559 4.738 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.471 2.383 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.739 3.964 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.460 2.090 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -3.947 2.269 -7.477 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.198 3.351 -2.454 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.959 3.634 -1.238 1.00 0.00 C ATOM 1563 C ARG B 39 -4.117 4.435 -0.259 1.00 0.00 C ATOM 1564 O ARG B 39 -4.531 5.464 0.242 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.396 2.332 -0.570 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.613 1.673 -1.193 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.386 1.304 -2.644 1.00 0.00 C ATOM 1568 NE ARG B 39 -6.462 2.463 -3.531 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.529 3.255 -3.629 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.597 3.031 -2.880 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -7.520 4.279 -4.470 1.00 0.00 N ATOM 0 H ARG B 39 -3.963 2.367 -2.583 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.839 4.213 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.564 1.628 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.607 2.532 0.481 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.867 0.776 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.466 2.348 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.408 0.834 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -7.129 0.567 -2.949 1.00 0.00 H new ATOM 0 HE ARG B 39 -5.650 2.678 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -8.605 2.250 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.412 3.640 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -6.696 4.461 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -8.337 4.885 -4.545 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.928 3.939 -0.006 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.987 4.583 0.901 1.00 0.00 C ATOM 1587 C ARG B 40 -1.932 6.086 0.629 1.00 0.00 C ATOM 1588 O ARG B 40 -1.916 6.898 1.555 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.590 3.957 0.742 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.242 2.908 1.791 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.284 3.491 3.195 1.00 0.00 C ATOM 1592 NE ARG B 40 0.637 4.612 3.351 1.00 0.00 N ATOM 1593 CZ ARG B 40 0.758 5.319 4.472 1.00 0.00 C ATOM 1594 NH1 ARG B 40 0.013 5.025 5.528 1.00 0.00 N ATOM 1595 NH2 ARG B 40 1.622 6.323 4.535 1.00 0.00 N ATOM 0 H ARG B 40 -2.579 3.075 -0.421 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.325 4.430 1.926 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.521 3.501 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.156 4.751 0.780 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.941 2.075 1.720 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.752 2.508 1.591 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.298 3.821 3.420 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.034 2.714 3.917 1.00 0.00 H new ATOM 0 HE ARG B 40 1.221 4.868 2.555 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -0.655 4.255 5.483 1.00 0.00 H new ATOM 0 HH12 ARG B 40 0.108 5.568 6.386 1.00 0.00 H new ATOM 0 HH21 ARG B 40 2.195 6.554 3.724 1.00 0.00 H new ATOM 0 HH22 ARG B 40 1.714 6.864 5.395 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.893 6.440 -0.653 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.827 7.831 -1.073 1.00 0.00 C ATOM 1611 C GLU B 41 -3.194 8.537 -1.037 1.00 0.00 C ATOM 1612 O GLU B 41 -3.285 9.699 -0.640 1.00 0.00 O ATOM 1613 CB GLU B 41 -1.259 7.896 -2.488 1.00 0.00 C ATOM 1614 CG GLU B 41 -0.873 9.294 -2.911 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.274 9.345 -4.303 1.00 0.00 C ATOM 1616 OE1 GLU B 41 -0.163 8.277 -4.942 1.00 0.00 O ATOM 1617 OE2 GLU B 41 0.085 10.453 -4.755 1.00 0.00 O ATOM 0 H GLU B 41 -1.906 5.772 -1.424 1.00 0.00 H new ATOM 0 HA GLU B 41 -1.182 8.354 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.384 7.250 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -1.997 7.503 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.754 9.935 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.156 9.699 -2.197 1.00 0.00 H new ATOM 1624 N GLU B 42 -4.247 7.844 -1.476 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.592 8.427 -1.518 1.00 0.00 C ATOM 1626 C GLU B 42 -6.238 8.451 -0.138 1.00 0.00 C ATOM 1627 O GLU B 42 -6.879 9.424 0.247 1.00 0.00 O ATOM 1628 CB GLU B 42 -6.475 7.640 -2.490 1.00 0.00 C ATOM 1629 CG GLU B 42 -7.890 8.188 -2.615 1.00 0.00 C ATOM 1630 CD GLU B 42 -7.934 9.586 -3.203 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -6.860 10.118 -3.560 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -9.044 10.149 -3.310 1.00 0.00 O ATOM 0 H GLU B 42 -4.196 6.881 -1.807 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.496 9.457 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.007 7.641 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.525 6.602 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.479 7.518 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.358 8.199 -1.631 1.00 0.00 H new ATOM 1639 N GLU B 43 -6.064 7.366 0.589 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.614 7.226 1.928 1.00 0.00 C ATOM 1641 C GLU B 43 -6.173 8.377 2.817 1.00 0.00 C ATOM 1642 O GLU B 43 -6.998 9.011 3.477 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.184 5.894 2.530 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.129 4.754 2.197 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.455 4.863 2.929 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -8.656 5.864 3.649 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.291 3.946 2.787 1.00 0.00 O ATOM 0 H GLU B 43 -5.537 6.553 0.270 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.702 7.250 1.860 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.185 5.646 2.171 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.117 5.997 3.613 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.311 4.740 1.122 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.654 3.807 2.452 1.00 0.00 H new ATOM 1654 N SER B 44 -4.876 8.664 2.810 1.00 0.00 N ATOM 1655 CA SER B 44 -4.349 9.768 3.596 1.00 0.00 C ATOM 1656 C SER B 44 -5.060 11.042 3.173 1.00 0.00 C ATOM 1657 O SER B 44 -5.351 11.920 3.987 1.00 0.00 O ATOM 1658 CB SER B 44 -2.839 9.905 3.391 1.00 0.00 C ATOM 1659 OG SER B 44 -2.314 10.978 4.154 1.00 0.00 O ATOM 0 H SER B 44 -4.177 8.151 2.273 1.00 0.00 H new ATOM 0 HA SER B 44 -4.523 9.580 4.656 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.345 8.976 3.676 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.626 10.068 2.335 1.00 0.00 H new ATOM 0 HG SER B 44 -1.347 11.042 4.006 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.358 11.107 1.880 1.00 0.00 N ATOM 1666 CA ALA B 45 -6.062 12.235 1.297 1.00 0.00 C ATOM 1667 C ALA B 45 -7.494 12.292 1.822 1.00 0.00 C ATOM 1668 O ALA B 45 -8.015 13.365 2.122 1.00 0.00 O ATOM 1669 CB ALA B 45 -6.054 12.115 -0.220 1.00 0.00 C ATOM 0 H ALA B 45 -5.117 10.377 1.209 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.557 13.158 1.581 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.583 12.963 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.025 12.107 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.548 11.189 -0.514 1.00 0.00 H new ATOM 1675 N ALA B 46 -8.117 11.119 1.936 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.484 11.017 2.432 1.00 0.00 C ATOM 1677 C ALA B 46 -9.571 11.515 3.868 1.00 0.00 C ATOM 1678 O ALA B 46 -10.516 12.207 4.242 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.972 9.576 2.338 1.00 0.00 C ATOM 0 H ALA B 46 -7.692 10.225 1.690 1.00 0.00 H new ATOM 0 HA ALA B 46 -10.125 11.644 1.813 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.994 9.513 2.711 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.945 9.250 1.298 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.327 8.933 2.937 1.00 0.00 H new