USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 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 1 THR OG1 : rot 19:sc= 0.912 USER MOD Set 1.2: A 3 TYR OH : rot -51:sc= -1.15 USER MOD Single : A 1 THR N :NH3+ 157:sc= 1.24 (180deg=1.13) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.01 X(o=-1,f=-0.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.84) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0.231 (180deg=0.229) USER MOD Single : A 25 THR OG1 : rot 89:sc= 0.0861 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -4.35 K(o=-4.4,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 132:sc= -5.47! (180deg=-6.32!) USER MOD Single : A 38 THR OG1 : rot -110:sc= -1.26 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 45 TYR OH : rot -16:sc= 1.07 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= -0.0203 (180deg=-0.0448) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00199 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.384 -13.808 5.133 1.00 0.00 N ATOM 2 CA THR A 1 4.816 -13.425 3.812 1.00 0.00 C ATOM 3 C THR A 1 5.315 -12.052 3.371 1.00 0.00 C ATOM 4 O THR A 1 6.141 -11.438 4.043 1.00 0.00 O ATOM 5 CB THR A 1 3.290 -13.421 3.920 1.00 0.00 C ATOM 6 OG1 THR A 1 2.877 -12.862 5.156 1.00 0.00 O ATOM 7 CG2 THR A 1 2.679 -14.799 3.813 1.00 0.00 C ATOM 0 H1 THR A 1 4.768 -14.514 5.585 1.00 0.00 H new ATOM 0 H2 THR A 1 6.333 -14.212 4.999 1.00 0.00 H new ATOM 0 H3 THR A 1 5.449 -12.966 5.740 1.00 0.00 H new ATOM 0 HA THR A 1 5.139 -14.147 3.062 1.00 0.00 H new ATOM 0 HB THR A 1 2.942 -12.822 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 1 3.607 -12.329 5.534 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.595 -14.724 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.938 -15.238 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.063 -15.430 4.614 1.00 0.00 H new ATOM 17 N THR A 2 4.809 -11.583 2.235 1.00 0.00 N ATOM 18 CA THR A 2 5.205 -10.287 1.702 1.00 0.00 C ATOM 19 C THR A 2 4.004 -9.551 1.117 1.00 0.00 C ATOM 20 O THR A 2 3.209 -10.131 0.379 1.00 0.00 O ATOM 21 CB THR A 2 6.284 -10.451 0.631 1.00 0.00 C ATOM 22 OG1 THR A 2 6.735 -9.198 0.168 1.00 0.00 O ATOM 23 CG2 THR A 2 5.812 -11.241 -0.572 1.00 0.00 C ATOM 0 H THR A 2 4.124 -12.082 1.667 1.00 0.00 H new ATOM 0 HA THR A 2 5.610 -9.697 2.524 1.00 0.00 H new ATOM 0 HB THR A 2 7.090 -10.999 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.426 -9.331 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.623 -11.322 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.507 -12.238 -0.255 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.965 -10.732 -1.032 1.00 0.00 H new ATOM 31 N TYR A 3 3.880 -8.270 1.450 1.00 0.00 N ATOM 32 CA TYR A 3 2.775 -7.457 0.954 1.00 0.00 C ATOM 33 C TYR A 3 3.292 -6.244 0.188 1.00 0.00 C ATOM 34 O TYR A 3 4.374 -5.731 0.476 1.00 0.00 O ATOM 35 CB TYR A 3 1.886 -7.004 2.114 1.00 0.00 C ATOM 36 CG TYR A 3 1.475 -8.132 3.036 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.321 -8.578 4.044 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.236 -8.748 2.899 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.947 -9.608 4.886 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.144 -9.779 3.739 1.00 0.00 C ATOM 41 CZ TYR A 3 0.712 -10.196 4.729 1.00 0.00 C ATOM 42 OH TYR A 3 0.336 -11.220 5.566 1.00 0.00 O ATOM 0 H TYR A 3 4.530 -7.773 2.060 1.00 0.00 H new ATOM 0 HA TYR A 3 2.185 -8.069 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.415 -6.247 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.991 -6.530 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.287 -8.112 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.440 -8.416 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.618 -9.949 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.107 -10.253 3.617 1.00 0.00 H new ATOM 0 HH TYR A 3 1.041 -11.900 5.588 1.00 0.00 H new ATOM 52 N LYS A 4 2.514 -5.791 -0.791 1.00 0.00 N ATOM 53 CA LYS A 4 2.898 -4.638 -1.600 1.00 0.00 C ATOM 54 C LYS A 4 1.742 -3.656 -1.730 1.00 0.00 C ATOM 55 O LYS A 4 0.573 -4.043 -1.695 1.00 0.00 O ATOM 56 CB LYS A 4 3.359 -5.092 -2.987 1.00 0.00 C ATOM 57 CG LYS A 4 4.389 -6.210 -2.951 1.00 0.00 C ATOM 58 CD LYS A 4 4.324 -7.069 -4.205 1.00 0.00 C ATOM 59 CE LYS A 4 5.710 -7.482 -4.671 1.00 0.00 C ATOM 60 NZ LYS A 4 5.842 -7.407 -6.152 1.00 0.00 N ATOM 0 H LYS A 4 1.616 -6.204 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 4 3.724 -4.133 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.492 -5.426 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.780 -4.238 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.387 -5.783 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.220 -6.833 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.726 -7.958 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.822 -6.517 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.456 -6.837 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.917 -8.499 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.801 -7.696 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.147 -8.041 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.670 -6.431 -6.467 1.00 0.00 H new ATOM 74 N LEU A 5 2.080 -2.380 -1.870 1.00 0.00 N ATOM 75 CA LEU A 5 1.079 -1.332 -1.994 1.00 0.00 C ATOM 76 C LEU A 5 1.389 -0.417 -3.177 1.00 0.00 C ATOM 77 O LEU A 5 2.470 0.164 -3.259 1.00 0.00 O ATOM 78 CB LEU A 5 1.014 -0.528 -0.693 1.00 0.00 C ATOM 79 CG LEU A 5 0.424 0.881 -0.816 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.947 0.830 -1.471 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.334 1.545 0.549 1.00 0.00 C ATOM 0 H LEU A 5 3.044 -2.047 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 5 0.109 -1.794 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.422 -1.089 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.022 -0.447 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 5 1.087 1.475 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.350 1.840 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.859 0.396 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.617 0.218 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.087 2.544 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.306 0.950 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.330 1.617 0.985 1.00 0.00 H new ATOM 93 N ILE A 6 0.428 -0.291 -4.088 1.00 0.00 N ATOM 94 CA ILE A 6 0.594 0.556 -5.263 1.00 0.00 C ATOM 95 C ILE A 6 -0.166 1.868 -5.101 1.00 0.00 C ATOM 96 O ILE A 6 -1.396 1.886 -5.068 1.00 0.00 O ATOM 97 CB ILE A 6 0.114 -0.154 -6.543 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.734 -1.544 -6.640 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.460 0.674 -7.771 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.237 -1.514 -6.754 1.00 0.00 C ATOM 0 H ILE A 6 -0.474 -0.765 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 6 1.660 0.765 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.970 -0.262 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.454 -2.123 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.320 -2.060 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.114 0.158 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.026 1.647 -7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.540 0.811 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.617 -2.533 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.523 -0.962 -7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.659 -1.025 -5.876 1.00 0.00 H new ATOM 112 N LEU A 7 0.576 2.965 -4.994 1.00 0.00 N ATOM 113 CA LEU A 7 -0.026 4.284 -4.828 1.00 0.00 C ATOM 114 C LEU A 7 -0.087 5.030 -6.155 1.00 0.00 C ATOM 115 O LEU A 7 0.931 5.215 -6.823 1.00 0.00 O ATOM 116 CB LEU A 7 0.764 5.102 -3.808 1.00 0.00 C ATOM 117 CG LEU A 7 1.118 4.361 -2.518 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.443 4.859 -1.963 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.011 4.525 -1.488 1.00 0.00 C ATOM 0 H LEU A 7 1.596 2.967 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.044 4.145 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.686 5.445 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.187 5.990 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 7 1.219 3.300 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.678 4.320 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.232 4.689 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.370 5.925 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.280 3.991 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.123 5.583 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.919 4.118 -1.885 1.00 0.00 H new ATOM 131 N ASN A 8 -1.287 5.462 -6.529 1.00 0.00 N ATOM 132 CA ASN A 8 -1.483 6.196 -7.775 1.00 0.00 C ATOM 133 C ASN A 8 -2.217 7.508 -7.521 1.00 0.00 C ATOM 134 O ASN A 8 -3.436 7.526 -7.348 1.00 0.00 O ATOM 135 CB ASN A 8 -2.261 5.347 -8.784 1.00 0.00 C ATOM 136 CG ASN A 8 -2.361 6.007 -10.146 1.00 0.00 C ATOM 137 OD1 ASN A 8 -3.421 6.007 -10.771 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.257 6.571 -10.613 1.00 0.00 N ATOM 0 H ASN A 8 -2.139 5.317 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.501 6.422 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.775 4.377 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.264 5.161 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.264 7.029 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.400 6.548 -10.061 1.00 0.00 H new ATOM 145 N LEU A 9 -1.469 8.598 -7.490 1.00 0.00 N ATOM 146 CA LEU A 9 -2.049 9.916 -7.255 1.00 0.00 C ATOM 147 C LEU A 9 -1.978 10.776 -8.513 1.00 0.00 C ATOM 148 O LEU A 9 -1.457 10.349 -9.544 1.00 0.00 O ATOM 149 CB LEU A 9 -1.327 10.615 -6.103 1.00 0.00 C ATOM 150 CG LEU A 9 0.204 10.556 -6.169 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.806 11.931 -5.915 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.739 9.541 -5.166 1.00 0.00 C ATOM 0 H LEU A 9 -0.458 8.600 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.098 9.781 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.635 11.660 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.653 10.167 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 9 0.494 10.238 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.893 11.867 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.447 12.630 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.509 12.281 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.827 9.510 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.438 9.831 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.335 8.555 -5.396 1.00 0.00 H new ATOM 164 N LYS A 10 -2.502 11.998 -8.423 1.00 0.00 N ATOM 165 CA LYS A 10 -2.500 12.916 -9.550 1.00 0.00 C ATOM 166 C LYS A 10 -1.214 13.745 -9.578 1.00 0.00 C ATOM 167 O LYS A 10 -1.254 14.972 -9.579 1.00 0.00 O ATOM 168 CB LYS A 10 -3.715 13.848 -9.483 1.00 0.00 C ATOM 169 CG LYS A 10 -3.924 14.674 -10.739 1.00 0.00 C ATOM 170 CD LYS A 10 -5.047 15.685 -10.561 1.00 0.00 C ATOM 171 CE LYS A 10 -4.726 17.002 -11.240 1.00 0.00 C ATOM 172 NZ LYS A 10 -5.643 18.087 -10.802 1.00 0.00 N ATOM 0 H LYS A 10 -2.933 12.371 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.553 12.324 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.609 13.252 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.599 14.520 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.000 15.195 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.156 14.014 -11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.971 15.279 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.219 15.855 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.697 17.284 -11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.797 16.880 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.392 18.971 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.623 17.829 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.557 18.220 -9.774 1.00 0.00 H new ATOM 186 N GLN A 11 -0.077 13.058 -9.600 1.00 0.00 N ATOM 187 CA GLN A 11 1.218 13.720 -9.625 1.00 0.00 C ATOM 188 C GLN A 11 2.333 12.738 -9.963 1.00 0.00 C ATOM 189 O GLN A 11 3.162 12.999 -10.837 1.00 0.00 O ATOM 190 CB GLN A 11 1.502 14.397 -8.282 1.00 0.00 C ATOM 191 CG GLN A 11 1.048 15.851 -8.217 1.00 0.00 C ATOM 192 CD GLN A 11 2.186 16.805 -7.898 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.121 16.451 -7.181 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.108 18.018 -8.429 1.00 0.00 N ATOM 0 H GLN A 11 -0.028 12.039 -9.601 1.00 0.00 H new ATOM 0 HA GLN A 11 1.187 14.481 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.005 13.835 -7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.572 14.351 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.601 16.131 -9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.271 15.952 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.313 18.267 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.843 18.702 -8.249 1.00 0.00 H new ATOM 203 N ALA A 12 2.345 11.610 -9.266 1.00 0.00 N ATOM 204 CA ALA A 12 3.358 10.584 -9.491 1.00 0.00 C ATOM 205 C ALA A 12 2.894 9.222 -8.962 1.00 0.00 C ATOM 206 O ALA A 12 1.728 9.053 -8.612 1.00 0.00 O ATOM 207 CB ALA A 12 4.671 10.987 -8.836 1.00 0.00 C ATOM 0 H ALA A 12 1.666 11.381 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 12 3.513 10.492 -10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.418 10.213 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.017 11.928 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.520 11.109 -7.763 1.00 0.00 H new ATOM 213 N LYS A 13 3.815 8.268 -8.914 1.00 0.00 N ATOM 214 CA LYS A 13 3.500 6.927 -8.432 1.00 0.00 C ATOM 215 C LYS A 13 4.528 6.468 -7.407 1.00 0.00 C ATOM 216 O LYS A 13 5.727 6.685 -7.563 1.00 0.00 O ATOM 217 CB LYS A 13 3.450 5.950 -9.608 1.00 0.00 C ATOM 218 CG LYS A 13 2.160 5.152 -9.672 1.00 0.00 C ATOM 219 CD LYS A 13 2.019 4.425 -11.000 1.00 0.00 C ATOM 220 CE LYS A 13 2.485 2.982 -10.898 1.00 0.00 C ATOM 221 NZ LYS A 13 1.979 2.153 -12.025 1.00 0.00 N ATOM 0 H LYS A 13 4.785 8.396 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 13 2.524 6.951 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.572 6.505 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.292 5.261 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.137 4.429 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.310 5.820 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.978 4.450 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.600 4.943 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.575 2.953 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.145 2.557 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.319 1.176 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.939 2.160 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.324 2.543 -12.925 1.00 0.00 H new ATOM 235 N GLU A 14 4.047 5.817 -6.352 1.00 0.00 N ATOM 236 CA GLU A 14 4.921 5.316 -5.298 1.00 0.00 C ATOM 237 C GLU A 14 4.565 3.876 -4.940 1.00 0.00 C ATOM 238 O GLU A 14 3.391 3.535 -4.796 1.00 0.00 O ATOM 239 CB GLU A 14 4.822 6.208 -4.057 1.00 0.00 C ATOM 240 CG GLU A 14 6.030 7.110 -3.859 1.00 0.00 C ATOM 241 CD GLU A 14 6.918 6.651 -2.719 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.815 5.473 -2.321 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.719 7.473 -2.224 1.00 0.00 O ATOM 0 H GLU A 14 3.056 5.624 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 14 5.947 5.336 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.927 6.825 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.701 5.578 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.613 7.139 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.691 8.128 -3.664 1.00 0.00 H new ATOM 250 N GLU A 15 5.585 3.034 -4.799 1.00 0.00 N ATOM 251 CA GLU A 15 5.373 1.630 -4.462 1.00 0.00 C ATOM 252 C GLU A 15 5.951 1.296 -3.093 1.00 0.00 C ATOM 253 O GLU A 15 7.126 1.551 -2.822 1.00 0.00 O ATOM 254 CB GLU A 15 6.004 0.725 -5.522 1.00 0.00 C ATOM 255 CG GLU A 15 5.294 0.773 -6.865 1.00 0.00 C ATOM 256 CD GLU A 15 6.202 0.390 -8.017 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.344 0.894 -8.066 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.772 -0.413 -8.872 1.00 0.00 O ATOM 0 H GLU A 15 6.564 3.299 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 15 4.297 1.456 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.046 1.014 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.004 -0.302 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.437 0.100 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.906 1.778 -7.031 1.00 0.00 H new ATOM 265 N ALA A 16 5.121 0.711 -2.238 1.00 0.00 N ATOM 266 CA ALA A 16 5.546 0.322 -0.900 1.00 0.00 C ATOM 267 C ALA A 16 5.477 -1.191 -0.742 1.00 0.00 C ATOM 268 O ALA A 16 4.485 -1.816 -1.116 1.00 0.00 O ATOM 269 CB ALA A 16 4.684 1.006 0.151 1.00 0.00 C ATOM 0 H ALA A 16 4.147 0.495 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 16 6.579 0.639 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.015 0.705 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.777 2.087 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.642 0.717 0.012 1.00 0.00 H new ATOM 275 N ILE A 17 6.535 -1.782 -0.197 1.00 0.00 N ATOM 276 CA ILE A 17 6.575 -3.228 -0.006 1.00 0.00 C ATOM 277 C ILE A 17 7.455 -3.615 1.174 1.00 0.00 C ATOM 278 O ILE A 17 8.435 -2.939 1.487 1.00 0.00 O ATOM 279 CB ILE A 17 7.058 -3.959 -1.284 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.561 -3.750 -1.517 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.268 -3.480 -2.494 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.179 -4.799 -2.416 1.00 0.00 C ATOM 0 H ILE A 17 7.370 -1.288 0.118 1.00 0.00 H new ATOM 0 HA ILE A 17 5.553 -3.542 0.208 1.00 0.00 H new ATOM 0 HB ILE A 17 6.886 -5.026 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.720 -2.765 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.075 -3.757 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.617 -4.001 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.209 -3.688 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.412 -2.407 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.242 -4.592 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.051 -5.784 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.690 -4.777 -3.390 1.00 0.00 H new ATOM 294 N LYS A 18 7.087 -4.709 1.832 1.00 0.00 N ATOM 295 CA LYS A 18 7.827 -5.194 2.987 1.00 0.00 C ATOM 296 C LYS A 18 7.357 -6.595 3.374 1.00 0.00 C ATOM 297 O LYS A 18 6.178 -6.923 3.246 1.00 0.00 O ATOM 298 CB LYS A 18 7.644 -4.219 4.154 1.00 0.00 C ATOM 299 CG LYS A 18 7.960 -4.812 5.520 1.00 0.00 C ATOM 300 CD LYS A 18 8.718 -3.828 6.395 1.00 0.00 C ATOM 301 CE LYS A 18 7.774 -2.877 7.113 1.00 0.00 C ATOM 302 NZ LYS A 18 7.476 -3.332 8.500 1.00 0.00 N ATOM 0 H LYS A 18 6.277 -5.277 1.583 1.00 0.00 H new ATOM 0 HA LYS A 18 8.886 -5.254 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.283 -3.351 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.614 -3.861 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.033 -5.101 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.551 -5.719 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.312 -4.374 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.415 -3.256 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.217 -1.881 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.844 -2.795 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.856 -2.639 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.000 -4.256 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.364 -3.419 9.035 1.00 0.00 H new ATOM 316 N GLU A 19 8.289 -7.419 3.847 1.00 0.00 N ATOM 317 CA GLU A 19 7.968 -8.783 4.253 1.00 0.00 C ATOM 318 C GLU A 19 7.580 -8.833 5.727 1.00 0.00 C ATOM 319 O GLU A 19 8.299 -8.324 6.587 1.00 0.00 O ATOM 320 CB GLU A 19 9.156 -9.704 3.992 1.00 0.00 C ATOM 321 CG GLU A 19 9.357 -10.031 2.521 1.00 0.00 C ATOM 322 CD GLU A 19 9.392 -11.523 2.255 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.697 -12.269 2.976 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.109 -11.947 1.326 1.00 0.00 O ATOM 0 H GLU A 19 9.271 -7.166 3.958 1.00 0.00 H new ATOM 0 HA GLU A 19 7.118 -9.124 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.061 -9.235 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.015 -10.632 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.553 -9.581 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.289 -9.582 2.177 1.00 0.00 H new ATOM 331 N ALA A 20 6.437 -9.445 6.012 1.00 0.00 N ATOM 332 CA ALA A 20 5.952 -9.568 7.384 1.00 0.00 C ATOM 333 C ALA A 20 5.348 -10.943 7.636 1.00 0.00 C ATOM 334 O ALA A 20 4.926 -11.625 6.704 1.00 0.00 O ATOM 335 CB ALA A 20 4.932 -8.478 7.674 1.00 0.00 C ATOM 0 H ALA A 20 5.827 -9.865 5.311 1.00 0.00 H new ATOM 0 HA ALA A 20 6.801 -9.450 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.575 -8.577 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.397 -7.501 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.092 -8.574 6.987 1.00 0.00 H new ATOM 341 N VAL A 21 5.307 -11.340 8.904 1.00 0.00 N ATOM 342 CA VAL A 21 4.751 -12.639 9.277 1.00 0.00 C ATOM 343 C VAL A 21 3.270 -12.730 8.913 1.00 0.00 C ATOM 344 O VAL A 21 2.833 -13.695 8.287 1.00 0.00 O ATOM 345 CB VAL A 21 4.929 -12.932 10.782 1.00 0.00 C ATOM 346 CG1 VAL A 21 4.412 -11.774 11.614 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.230 -14.228 11.169 1.00 0.00 C ATOM 0 H VAL A 21 5.650 -10.785 9.688 1.00 0.00 H new ATOM 0 HA VAL A 21 5.306 -13.388 8.713 1.00 0.00 H new ATOM 0 HB VAL A 21 5.994 -13.051 10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.546 -11.998 12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.965 -10.869 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.353 -11.621 11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.370 -14.413 12.234 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.165 -14.146 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.654 -15.054 10.599 1.00 0.00 H new ATOM 357 N ASP A 22 2.500 -11.720 9.308 1.00 0.00 N ATOM 358 CA ASP A 22 1.070 -11.691 9.021 1.00 0.00 C ATOM 359 C ASP A 22 0.711 -10.466 8.179 1.00 0.00 C ATOM 360 O ASP A 22 1.592 -9.791 7.643 1.00 0.00 O ATOM 361 CB ASP A 22 0.271 -11.690 10.327 1.00 0.00 C ATOM 362 CG ASP A 22 0.497 -10.429 11.141 1.00 0.00 C ATOM 363 OD1 ASP A 22 1.532 -10.347 11.832 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.365 -9.528 11.091 1.00 0.00 O ATOM 0 H ASP A 22 2.842 -10.912 9.827 1.00 0.00 H new ATOM 0 HA ASP A 22 0.815 -12.584 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.791 -11.788 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.551 -12.559 10.922 1.00 0.00 H new ATOM 369 N ALA A 23 -0.581 -10.180 8.064 1.00 0.00 N ATOM 370 CA ALA A 23 -1.037 -9.041 7.286 1.00 0.00 C ATOM 371 C ALA A 23 -1.246 -7.819 8.174 1.00 0.00 C ATOM 372 O ALA A 23 -1.014 -6.687 7.747 1.00 0.00 O ATOM 373 CB ALA A 23 -2.329 -9.382 6.555 1.00 0.00 C ATOM 0 H ALA A 23 -1.327 -10.722 8.500 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.266 -8.804 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.658 -8.519 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.156 -10.224 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.098 -9.648 7.280 1.00 0.00 H new ATOM 379 N GLY A 24 -1.680 -8.052 9.410 1.00 0.00 N ATOM 380 CA GLY A 24 -1.899 -6.955 10.334 1.00 0.00 C ATOM 381 C GLY A 24 -0.718 -6.002 10.391 1.00 0.00 C ATOM 382 O GLY A 24 -0.892 -4.807 10.635 1.00 0.00 O ATOM 0 H GLY A 24 -1.883 -8.978 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.792 -6.405 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.088 -7.355 11.330 1.00 0.00 H new ATOM 386 N THR A 25 0.466 -6.538 10.157 1.00 0.00 N ATOM 387 CA THR A 25 1.682 -5.736 10.170 1.00 0.00 C ATOM 388 C THR A 25 1.848 -4.994 8.850 1.00 0.00 C ATOM 389 O THR A 25 2.434 -3.913 8.803 1.00 0.00 O ATOM 390 CB THR A 25 2.902 -6.622 10.428 1.00 0.00 C ATOM 391 OG1 THR A 25 2.634 -7.556 11.459 1.00 0.00 O ATOM 392 CG2 THR A 25 4.136 -5.842 10.826 1.00 0.00 C ATOM 0 H THR A 25 0.615 -7.527 9.955 1.00 0.00 H new ATOM 0 HA THR A 25 1.600 -5.005 10.974 1.00 0.00 H new ATOM 0 HB THR A 25 3.099 -7.124 9.481 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.255 -8.372 11.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.964 -6.531 10.994 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.399 -5.146 10.029 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.935 -5.286 11.742 1.00 0.00 H new ATOM 400 N ALA A 26 1.319 -5.579 7.778 1.00 0.00 N ATOM 401 CA ALA A 26 1.404 -4.967 6.459 1.00 0.00 C ATOM 402 C ALA A 26 0.359 -3.869 6.309 1.00 0.00 C ATOM 403 O ALA A 26 0.647 -2.792 5.786 1.00 0.00 O ATOM 404 CB ALA A 26 1.230 -6.020 5.375 1.00 0.00 C ATOM 0 H ALA A 26 0.829 -6.473 7.799 1.00 0.00 H new ATOM 0 HA ALA A 26 2.391 -4.517 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.296 -5.548 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.014 -6.772 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.256 -6.496 5.483 1.00 0.00 H new ATOM 410 N GLU A 27 -0.845 -4.145 6.775 1.00 0.00 N ATOM 411 CA GLU A 27 -1.937 -3.178 6.702 1.00 0.00 C ATOM 412 C GLU A 27 -1.615 -1.954 7.554 1.00 0.00 C ATOM 413 O GLU A 27 -1.538 -0.836 7.049 1.00 0.00 O ATOM 414 CB GLU A 27 -3.253 -3.813 7.168 1.00 0.00 C ATOM 415 CG GLU A 27 -4.431 -2.864 7.115 1.00 0.00 C ATOM 416 CD GLU A 27 -5.683 -3.515 6.547 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.792 -4.756 6.630 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.547 -2.785 6.017 1.00 0.00 O ATOM 0 H GLU A 27 -1.097 -5.032 7.210 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.052 -2.866 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.468 -4.682 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.132 -4.173 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.641 -2.496 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.168 -1.999 6.507 1.00 0.00 H new ATOM 425 N LYS A 28 -1.440 -2.176 8.854 1.00 0.00 N ATOM 426 CA LYS A 28 -1.126 -1.091 9.781 1.00 0.00 C ATOM 427 C LYS A 28 0.106 -0.318 9.330 1.00 0.00 C ATOM 428 O LYS A 28 0.174 0.901 9.481 1.00 0.00 O ATOM 429 CB LYS A 28 -0.913 -1.643 11.191 1.00 0.00 C ATOM 430 CG LYS A 28 -2.179 -1.682 12.030 1.00 0.00 C ATOM 431 CD LYS A 28 -2.019 -0.902 13.327 1.00 0.00 C ATOM 432 CE LYS A 28 -2.736 0.439 13.264 1.00 0.00 C ATOM 433 NZ LYS A 28 -2.124 1.434 14.190 1.00 0.00 N ATOM 0 H LYS A 28 -1.510 -3.096 9.289 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.972 -0.404 9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.504 -2.651 11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.168 -1.033 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.008 -1.268 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.433 -2.717 12.257 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.414 -1.488 14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.960 -0.740 13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.703 0.822 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.787 0.302 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.638 2.335 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.178 1.079 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.128 1.583 13.931 1.00 0.00 H new ATOM 447 N TYR A 29 1.081 -1.032 8.768 1.00 0.00 N ATOM 448 CA TYR A 29 2.306 -0.396 8.291 1.00 0.00 C ATOM 449 C TYR A 29 2.047 0.328 6.976 1.00 0.00 C ATOM 450 O TYR A 29 2.558 1.425 6.747 1.00 0.00 O ATOM 451 CB TYR A 29 3.427 -1.429 8.117 1.00 0.00 C ATOM 452 CG TYR A 29 4.712 -0.842 7.568 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.893 -0.660 6.202 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.744 -0.469 8.421 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.065 -0.124 5.703 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.918 0.067 7.929 1.00 0.00 C ATOM 457 CZ TYR A 29 7.074 0.237 6.570 1.00 0.00 C ATOM 458 OH TYR A 29 8.242 0.770 6.076 1.00 0.00 O ATOM 0 H TYR A 29 1.047 -2.042 8.633 1.00 0.00 H new ATOM 0 HA TYR A 29 2.625 0.331 9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.633 -1.895 9.080 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.083 -2.218 7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.105 -0.942 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.626 -0.600 9.486 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.190 0.011 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.710 0.352 8.606 1.00 0.00 H new ATOM 0 HH TYR A 29 8.849 0.972 6.818 1.00 0.00 H new ATOM 468 N PHE A 30 1.232 -0.283 6.119 1.00 0.00 N ATOM 469 CA PHE A 30 0.889 0.317 4.837 1.00 0.00 C ATOM 470 C PHE A 30 0.052 1.568 5.072 1.00 0.00 C ATOM 471 O PHE A 30 0.272 2.605 4.449 1.00 0.00 O ATOM 472 CB PHE A 30 0.122 -0.679 3.956 1.00 0.00 C ATOM 473 CG PHE A 30 0.999 -1.569 3.113 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.373 -1.619 3.307 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.441 -2.361 2.121 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.169 -2.440 2.530 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.232 -3.182 1.341 1.00 0.00 C ATOM 478 CZ PHE A 30 2.598 -3.221 1.546 1.00 0.00 C ATOM 0 H PHE A 30 0.799 -1.191 6.291 1.00 0.00 H new ATOM 0 HA PHE A 30 1.808 0.588 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.502 -1.304 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.548 -0.124 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.826 -1.009 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.626 -2.336 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.236 -2.470 2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.783 -3.793 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.218 -3.862 0.937 1.00 0.00 H new ATOM 488 N LYS A 31 -0.900 1.459 5.991 1.00 0.00 N ATOM 489 CA LYS A 31 -1.761 2.580 6.332 1.00 0.00 C ATOM 490 C LYS A 31 -0.943 3.754 6.868 1.00 0.00 C ATOM 491 O LYS A 31 -1.197 4.909 6.520 1.00 0.00 O ATOM 492 CB LYS A 31 -2.793 2.145 7.369 1.00 0.00 C ATOM 493 CG LYS A 31 -4.065 2.988 7.361 1.00 0.00 C ATOM 494 CD LYS A 31 -4.181 3.829 8.619 1.00 0.00 C ATOM 495 CE LYS A 31 -5.641 4.148 8.938 1.00 0.00 C ATOM 496 NZ LYS A 31 -5.761 5.077 10.095 1.00 0.00 N ATOM 0 H LYS A 31 -1.094 0.604 6.513 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.274 2.907 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.057 1.103 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.342 2.194 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.067 3.638 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.935 2.336 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.731 3.298 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.623 4.757 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.116 4.593 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.176 3.224 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.766 5.271 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.330 4.642 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.272 5.968 9.877 1.00 0.00 H new ATOM 510 N LEU A 32 0.039 3.452 7.718 1.00 0.00 N ATOM 511 CA LEU A 32 0.892 4.479 8.301 1.00 0.00 C ATOM 512 C LEU A 32 1.634 5.264 7.219 1.00 0.00 C ATOM 513 O LEU A 32 1.744 6.487 7.297 1.00 0.00 O ATOM 514 CB LEU A 32 1.891 3.843 9.277 1.00 0.00 C ATOM 515 CG LEU A 32 1.300 3.318 10.597 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.954 4.012 11.778 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.213 3.501 10.650 1.00 0.00 C ATOM 0 H LEU A 32 0.261 2.502 8.016 1.00 0.00 H new ATOM 0 HA LEU A 32 0.257 5.178 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.388 3.016 8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.658 4.580 9.513 1.00 0.00 H new ATOM 0 HG LEU A 32 1.506 2.249 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.527 3.631 12.706 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.026 3.818 11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.779 5.086 11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.593 3.118 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.455 4.560 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.675 2.955 9.827 1.00 0.00 H new ATOM 529 N ILE A 33 2.136 4.561 6.205 1.00 0.00 N ATOM 530 CA ILE A 33 2.859 5.210 5.119 1.00 0.00 C ATOM 531 C ILE A 33 1.899 5.942 4.192 1.00 0.00 C ATOM 532 O ILE A 33 2.253 6.955 3.586 1.00 0.00 O ATOM 533 CB ILE A 33 3.691 4.197 4.304 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.558 4.927 3.275 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.792 3.180 3.619 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.619 5.809 3.897 1.00 0.00 C ATOM 0 H ILE A 33 2.055 3.548 6.115 1.00 0.00 H new ATOM 0 HA ILE A 33 3.540 5.929 5.573 1.00 0.00 H new ATOM 0 HB ILE A 33 4.344 3.660 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.040 4.192 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.917 5.537 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.403 2.478 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.219 2.637 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.109 3.695 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.195 6.295 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.143 6.567 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.284 5.201 4.511 1.00 0.00 H new ATOM 548 N ALA A 34 0.677 5.427 4.091 1.00 0.00 N ATOM 549 CA ALA A 34 -0.338 6.036 3.243 1.00 0.00 C ATOM 550 C ALA A 34 -0.603 7.475 3.662 1.00 0.00 C ATOM 551 O ALA A 34 -0.208 8.413 2.972 1.00 0.00 O ATOM 552 CB ALA A 34 -1.623 5.224 3.290 1.00 0.00 C ATOM 0 H ALA A 34 0.368 4.590 4.586 1.00 0.00 H new ATOM 0 HA ALA A 34 0.033 6.044 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.372 5.692 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.427 4.211 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.992 5.186 4.315 1.00 0.00 H new ATOM 558 N ASN A 35 -1.273 7.649 4.796 1.00 0.00 N ATOM 559 CA ASN A 35 -1.583 8.990 5.292 1.00 0.00 C ATOM 560 C ASN A 35 -0.315 9.775 5.645 1.00 0.00 C ATOM 561 O ASN A 35 -0.373 10.987 5.859 1.00 0.00 O ATOM 562 CB ASN A 35 -2.519 8.932 6.505 1.00 0.00 C ATOM 563 CG ASN A 35 -2.310 7.704 7.375 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.274 7.135 7.892 1.00 0.00 O ATOM 565 ND2 ASN A 35 -1.069 7.286 7.549 1.00 0.00 N ATOM 0 H ASN A 35 -1.610 6.888 5.386 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.091 9.514 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.371 9.826 7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.552 8.950 6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.883 6.467 8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.297 7.783 7.105 1.00 0.00 H new ATOM 572 N ALA A 36 0.831 9.092 5.713 1.00 0.00 N ATOM 573 CA ALA A 36 2.089 9.748 6.046 1.00 0.00 C ATOM 574 C ALA A 36 2.681 10.482 4.843 1.00 0.00 C ATOM 575 O ALA A 36 3.510 11.379 5.005 1.00 0.00 O ATOM 576 CB ALA A 36 3.087 8.734 6.583 1.00 0.00 C ATOM 0 H ALA A 36 0.909 8.089 5.542 1.00 0.00 H new ATOM 0 HA ALA A 36 1.879 10.489 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.022 9.238 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.682 8.265 7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.273 7.971 5.827 1.00 0.00 H new ATOM 582 N LYS A 37 2.261 10.102 3.639 1.00 0.00 N ATOM 583 CA LYS A 37 2.772 10.741 2.425 1.00 0.00 C ATOM 584 C LYS A 37 1.693 10.861 1.347 1.00 0.00 C ATOM 585 O LYS A 37 1.624 11.863 0.645 1.00 0.00 O ATOM 586 CB LYS A 37 3.992 9.980 1.884 1.00 0.00 C ATOM 587 CG LYS A 37 3.675 8.644 1.221 1.00 0.00 C ATOM 588 CD LYS A 37 4.617 8.361 0.062 1.00 0.00 C ATOM 589 CE LYS A 37 6.070 8.339 0.514 1.00 0.00 C ATOM 590 NZ LYS A 37 6.320 7.285 1.535 1.00 0.00 N ATOM 0 H LYS A 37 1.576 9.364 3.476 1.00 0.00 H new ATOM 0 HA LYS A 37 3.080 11.751 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.506 10.614 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.686 9.805 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.751 7.844 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.646 8.650 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.361 7.403 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.486 9.121 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.715 8.169 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.337 9.313 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.167 6.741 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.468 7.729 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.500 6.647 1.583 1.00 0.00 H new ATOM 604 N THR A 38 0.856 9.838 1.218 1.00 0.00 N ATOM 605 CA THR A 38 -0.209 9.844 0.222 1.00 0.00 C ATOM 606 C THR A 38 -1.507 10.381 0.815 1.00 0.00 C ATOM 607 O THR A 38 -1.581 10.677 2.008 1.00 0.00 O ATOM 608 CB THR A 38 -0.429 8.433 -0.332 1.00 0.00 C ATOM 609 OG1 THR A 38 0.146 7.462 0.524 1.00 0.00 O ATOM 610 CG2 THR A 38 0.159 8.235 -1.712 1.00 0.00 C ATOM 0 H THR A 38 0.894 8.994 1.790 1.00 0.00 H new ATOM 0 HA THR A 38 0.094 10.501 -0.593 1.00 0.00 H new ATOM 0 HB THR A 38 -1.511 8.312 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.928 7.063 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.032 7.215 -2.046 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.301 8.937 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.234 8.411 -1.678 1.00 0.00 H new ATOM 618 N VAL A 39 -2.529 10.506 -0.026 1.00 0.00 N ATOM 619 CA VAL A 39 -3.817 11.009 0.411 1.00 0.00 C ATOM 620 C VAL A 39 -4.850 10.907 -0.708 1.00 0.00 C ATOM 621 O VAL A 39 -4.601 11.311 -1.839 1.00 0.00 O ATOM 622 CB VAL A 39 -3.728 12.466 0.886 1.00 0.00 C ATOM 623 CG1 VAL A 39 -3.281 13.376 -0.256 1.00 0.00 C ATOM 624 CG2 VAL A 39 -5.052 12.936 1.459 1.00 0.00 C ATOM 0 H VAL A 39 -2.485 10.264 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.129 10.389 1.251 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.983 12.517 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.224 14.405 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.300 13.060 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.000 13.314 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.959 13.971 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.825 12.866 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.324 12.309 2.308 1.00 0.00 H new ATOM 634 N GLU A 40 -6.023 10.356 -0.380 1.00 0.00 N ATOM 635 CA GLU A 40 -7.103 10.199 -1.380 1.00 0.00 C ATOM 636 C GLU A 40 -6.763 9.082 -2.363 1.00 0.00 C ATOM 637 O GLU A 40 -5.725 9.107 -3.011 1.00 0.00 O ATOM 638 CB GLU A 40 -7.312 11.508 -2.146 1.00 0.00 C ATOM 639 CG GLU A 40 -8.777 11.841 -2.380 1.00 0.00 C ATOM 640 CD GLU A 40 -9.442 12.436 -1.155 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.620 11.703 -0.169 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.775 13.640 -1.189 1.00 0.00 O ATOM 0 H GLU A 40 -6.254 10.014 0.553 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.021 9.941 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.845 12.323 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.803 11.443 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.858 12.543 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.309 10.936 -2.674 1.00 0.00 H new ATOM 649 N GLY A 41 -7.663 8.103 -2.468 1.00 0.00 N ATOM 650 CA GLY A 41 -7.439 6.993 -3.377 1.00 0.00 C ATOM 651 C GLY A 41 -8.431 5.865 -3.181 1.00 0.00 C ATOM 652 O GLY A 41 -9.228 5.883 -2.242 1.00 0.00 O ATOM 0 H GLY A 41 -8.536 8.061 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.502 7.352 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.428 6.611 -3.235 1.00 0.00 H new ATOM 656 N VAL A 42 -8.378 4.878 -4.070 1.00 0.00 N ATOM 657 CA VAL A 42 -9.266 3.730 -3.994 1.00 0.00 C ATOM 658 C VAL A 42 -8.505 2.498 -3.540 1.00 0.00 C ATOM 659 O VAL A 42 -7.701 1.937 -4.284 1.00 0.00 O ATOM 660 CB VAL A 42 -9.952 3.442 -5.346 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.000 2.352 -5.192 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.571 4.711 -5.913 1.00 0.00 C ATOM 0 H VAL A 42 -7.725 4.853 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.040 3.972 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.196 3.090 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.473 2.163 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.525 1.438 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.755 2.672 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.050 4.488 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.314 5.097 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.793 5.459 -6.064 1.00 0.00 H new ATOM 672 N TRP A 43 -8.757 2.101 -2.300 1.00 0.00 N ATOM 673 CA TRP A 43 -8.118 0.962 -1.692 1.00 0.00 C ATOM 674 C TRP A 43 -8.556 -0.344 -2.348 1.00 0.00 C ATOM 675 O TRP A 43 -9.712 -0.757 -2.217 1.00 0.00 O ATOM 676 CB TRP A 43 -8.474 0.959 -0.213 1.00 0.00 C ATOM 677 CG TRP A 43 -7.477 1.667 0.660 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.340 3.023 0.798 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.468 1.080 1.506 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.327 3.313 1.671 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.770 2.146 2.119 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.073 -0.236 1.809 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.730 1.946 3.012 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.020 -0.430 2.714 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.364 0.662 3.295 1.00 0.00 C ATOM 0 H TRP A 43 -9.422 2.573 -1.687 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.039 1.037 -1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.450 1.427 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.568 -0.073 0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.946 3.759 0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.033 4.251 1.945 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.571 -1.079 1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.223 2.782 3.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.711 -1.434 2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.550 0.484 3.982 1.00 0.00 H new ATOM 696 N THR A 44 -7.628 -0.994 -3.043 1.00 0.00 N ATOM 697 CA THR A 44 -7.917 -2.259 -3.709 1.00 0.00 C ATOM 698 C THR A 44 -6.850 -3.287 -3.369 1.00 0.00 C ATOM 699 O THR A 44 -5.750 -2.928 -2.955 1.00 0.00 O ATOM 700 CB THR A 44 -8.002 -2.061 -5.223 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.756 -1.614 -5.736 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.056 -1.060 -5.641 1.00 0.00 C ATOM 0 H THR A 44 -6.669 -0.666 -3.160 1.00 0.00 H new ATOM 0 HA THR A 44 -8.881 -2.625 -3.355 1.00 0.00 H new ATOM 0 HB THR A 44 -8.274 -3.036 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.826 -1.493 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.061 -0.969 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.035 -1.398 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.833 -0.090 -5.197 1.00 0.00 H new ATOM 710 N TYR A 45 -7.162 -4.565 -3.548 1.00 0.00 N ATOM 711 CA TYR A 45 -6.200 -5.627 -3.260 1.00 0.00 C ATOM 712 C TYR A 45 -6.322 -6.768 -4.265 1.00 0.00 C ATOM 713 O TYR A 45 -7.417 -7.065 -4.754 1.00 0.00 O ATOM 714 CB TYR A 45 -6.375 -6.141 -1.813 1.00 0.00 C ATOM 715 CG TYR A 45 -6.147 -7.631 -1.645 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.125 -8.546 -2.014 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.962 -8.116 -1.113 1.00 0.00 C ATOM 718 CE1 TYR A 45 -6.922 -9.904 -1.859 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.759 -9.475 -0.954 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.740 -10.362 -1.329 1.00 0.00 C ATOM 721 OH TYR A 45 -5.538 -11.713 -1.174 1.00 0.00 O ATOM 0 H TYR A 45 -8.066 -4.892 -3.889 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.197 -5.210 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.683 -5.605 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.382 -5.900 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.057 -8.191 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.187 -7.424 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.690 -10.603 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.832 -9.838 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.396 -12.182 -1.240 1.00 0.00 H new ATOM 731 N LYS A 46 -5.201 -7.407 -4.557 1.00 0.00 N ATOM 732 CA LYS A 46 -5.172 -8.520 -5.496 1.00 0.00 C ATOM 733 C LYS A 46 -4.716 -9.797 -4.802 1.00 0.00 C ATOM 734 O LYS A 46 -3.732 -9.795 -4.051 1.00 0.00 O ATOM 735 CB LYS A 46 -4.253 -8.211 -6.682 1.00 0.00 C ATOM 736 CG LYS A 46 -4.448 -6.817 -7.257 1.00 0.00 C ATOM 737 CD LYS A 46 -3.128 -6.200 -7.684 1.00 0.00 C ATOM 738 CE LYS A 46 -2.437 -7.039 -8.739 1.00 0.00 C ATOM 739 NZ LYS A 46 -1.443 -6.248 -9.517 1.00 0.00 N ATOM 0 H LYS A 46 -4.293 -7.173 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.185 -8.667 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.216 -8.323 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.428 -8.946 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.121 -6.867 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.925 -6.179 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.303 -5.197 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.476 -6.096 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.937 -7.882 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.182 -7.454 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.993 -6.859 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.924 -5.459 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.717 -5.873 -8.873 1.00 0.00 H new ATOM 753 N ASP A 47 -5.449 -10.885 -5.056 1.00 0.00 N ATOM 754 CA ASP A 47 -5.135 -12.173 -4.467 1.00 0.00 C ATOM 755 C ASP A 47 -4.124 -12.934 -5.316 1.00 0.00 C ATOM 756 O ASP A 47 -4.366 -13.222 -6.488 1.00 0.00 O ATOM 757 CB ASP A 47 -6.412 -13.005 -4.307 1.00 0.00 C ATOM 758 CG ASP A 47 -6.368 -13.909 -3.095 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.670 -14.951 -3.160 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.025 -13.587 -2.082 1.00 0.00 O ATOM 0 H ASP A 47 -6.265 -10.891 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.694 -11.997 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.269 -12.337 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.562 -13.609 -5.202 1.00 0.00 H new ATOM 765 N GLU A 48 -2.996 -13.269 -4.705 1.00 0.00 N ATOM 766 CA GLU A 48 -1.923 -13.996 -5.371 1.00 0.00 C ATOM 767 C GLU A 48 -0.631 -13.876 -4.579 1.00 0.00 C ATOM 768 O GLU A 48 -0.101 -14.875 -4.081 1.00 0.00 O ATOM 769 CB GLU A 48 -1.702 -13.479 -6.812 1.00 0.00 C ATOM 770 CG GLU A 48 -1.766 -11.971 -6.945 1.00 0.00 C ATOM 771 CD GLU A 48 -2.550 -11.527 -8.158 1.00 0.00 C ATOM 772 OE1 GLU A 48 -3.449 -12.282 -8.597 1.00 0.00 O ATOM 773 OE2 GLU A 48 -2.268 -10.429 -8.681 1.00 0.00 O ATOM 0 H GLU A 48 -2.798 -13.044 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.218 -15.044 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.730 -13.823 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.453 -13.923 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.221 -11.550 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.753 -11.572 -7.006 1.00 0.00 H new ATOM 780 N ILE A 49 -0.145 -12.651 -4.441 1.00 0.00 N ATOM 781 CA ILE A 49 1.067 -12.383 -3.681 1.00 0.00 C ATOM 782 C ILE A 49 0.793 -11.348 -2.590 1.00 0.00 C ATOM 783 O ILE A 49 1.715 -10.719 -2.078 1.00 0.00 O ATOM 784 CB ILE A 49 2.205 -11.873 -4.585 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.328 -12.746 -5.830 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.520 -11.845 -3.821 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.579 -14.196 -5.516 1.00 0.00 C ATOM 0 H ILE A 49 -0.575 -11.821 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 49 1.379 -13.325 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 49 1.968 -10.856 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.413 -12.661 -6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.141 -12.370 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.313 -11.482 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.427 -11.182 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.764 -12.851 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.656 -14.761 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.509 -14.291 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.754 -14.587 -4.921 1.00 0.00 H new ATOM 799 N LYS A 50 -0.484 -11.194 -2.239 1.00 0.00 N ATOM 800 CA LYS A 50 -0.885 -10.244 -1.213 1.00 0.00 C ATOM 801 C LYS A 50 -0.458 -8.832 -1.595 1.00 0.00 C ATOM 802 O LYS A 50 0.620 -8.377 -1.210 1.00 0.00 O ATOM 803 CB LYS A 50 -0.271 -10.629 0.135 1.00 0.00 C ATOM 804 CG LYS A 50 -1.205 -11.433 1.018 1.00 0.00 C ATOM 805 CD LYS A 50 -1.417 -12.837 0.466 1.00 0.00 C ATOM 806 CE LYS A 50 -0.184 -13.700 0.655 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.219 -14.450 1.947 1.00 0.00 N ATOM 0 H LYS A 50 -1.255 -11.717 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.971 -10.269 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.637 -11.206 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.024 -9.722 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.793 -11.494 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.165 -10.922 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.267 -13.301 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.663 -12.779 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.105 -14.406 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.706 -13.072 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.599 -15.091 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.183 -13.778 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.097 -15.004 2.003 1.00 0.00 H new ATOM 821 N THR A 51 -1.300 -8.134 -2.354 1.00 0.00 N ATOM 822 CA THR A 51 -0.972 -6.774 -2.770 1.00 0.00 C ATOM 823 C THR A 51 -2.188 -5.857 -2.729 1.00 0.00 C ATOM 824 O THR A 51 -3.297 -6.267 -3.039 1.00 0.00 O ATOM 825 CB THR A 51 -0.369 -6.780 -4.175 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.191 -5.457 -4.649 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.216 -7.519 -5.185 1.00 0.00 C ATOM 0 H THR A 51 -2.199 -8.481 -2.688 1.00 0.00 H new ATOM 0 HA THR A 51 -0.240 -6.385 -2.063 1.00 0.00 H new ATOM 0 HB THR A 51 0.586 -7.297 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.197 -5.481 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.731 -7.485 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.332 -8.557 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.197 -7.049 -5.251 1.00 0.00 H new ATOM 835 N PHE A 52 -1.948 -4.604 -2.348 1.00 0.00 N ATOM 836 CA PHE A 52 -3.006 -3.604 -2.268 1.00 0.00 C ATOM 837 C PHE A 52 -2.650 -2.383 -3.110 1.00 0.00 C ATOM 838 O PHE A 52 -1.487 -2.169 -3.444 1.00 0.00 O ATOM 839 CB PHE A 52 -3.232 -3.181 -0.814 1.00 0.00 C ATOM 840 CG PHE A 52 -3.242 -4.327 0.156 1.00 0.00 C ATOM 841 CD1 PHE A 52 -2.082 -5.017 0.454 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.423 -4.715 0.775 1.00 0.00 C ATOM 843 CE1 PHE A 52 -2.090 -6.070 1.348 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.441 -5.768 1.671 1.00 0.00 C ATOM 845 CZ PHE A 52 -3.265 -6.446 1.956 1.00 0.00 C ATOM 0 H PHE A 52 -1.024 -4.258 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.924 -4.046 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.451 -2.479 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.181 -2.649 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.155 -4.728 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.339 -4.188 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.174 -6.598 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.366 -6.061 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.272 -7.269 2.655 1.00 0.00 H new ATOM 855 N THR A 53 -3.653 -1.585 -3.458 1.00 0.00 N ATOM 856 CA THR A 53 -3.421 -0.393 -4.264 1.00 0.00 C ATOM 857 C THR A 53 -4.387 0.727 -3.884 1.00 0.00 C ATOM 858 O THR A 53 -5.496 0.473 -3.413 1.00 0.00 O ATOM 859 CB THR A 53 -3.557 -0.728 -5.757 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.564 -1.656 -6.153 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.455 0.476 -6.682 1.00 0.00 C ATOM 0 H THR A 53 -4.627 -1.740 -3.197 1.00 0.00 H new ATOM 0 HA THR A 53 -2.407 -0.045 -4.068 1.00 0.00 H new ATOM 0 HB THR A 53 -4.560 -1.142 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.667 -1.859 -7.106 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.562 0.150 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.246 1.187 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.485 0.955 -6.551 1.00 0.00 H new ATOM 869 N VAL A 54 -3.962 1.966 -4.107 1.00 0.00 N ATOM 870 CA VAL A 54 -4.785 3.131 -3.808 1.00 0.00 C ATOM 871 C VAL A 54 -4.719 4.135 -4.963 1.00 0.00 C ATOM 872 O VAL A 54 -3.725 4.833 -5.147 1.00 0.00 O ATOM 873 CB VAL A 54 -4.373 3.795 -2.462 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.371 4.929 -2.649 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.600 4.295 -1.728 1.00 0.00 C ATOM 0 H VAL A 54 -3.046 2.189 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.816 2.797 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.878 3.028 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.119 5.356 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.468 4.542 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.809 5.701 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.298 4.757 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.118 5.030 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.268 3.458 -1.523 1.00 0.00 H new ATOM 885 N THR A 55 -5.781 4.177 -5.759 1.00 0.00 N ATOM 886 CA THR A 55 -5.840 5.074 -6.909 1.00 0.00 C ATOM 887 C THR A 55 -6.780 6.249 -6.661 1.00 0.00 C ATOM 888 O THR A 55 -7.928 6.064 -6.276 1.00 0.00 O ATOM 889 CB THR A 55 -6.278 4.308 -8.157 1.00 0.00 C ATOM 890 OG1 THR A 55 -7.319 3.397 -7.840 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.167 3.521 -8.805 1.00 0.00 C ATOM 0 H THR A 55 -6.613 3.601 -5.630 1.00 0.00 H new ATOM 0 HA THR A 55 -4.838 5.475 -7.065 1.00 0.00 H new ATOM 0 HB THR A 55 -6.612 5.071 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.590 2.915 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.552 3.004 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.368 4.199 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.777 2.791 -8.096 1.00 0.00 H new ATOM 899 N GLU A 56 -6.274 7.460 -6.898 1.00 0.00 N ATOM 900 CA GLU A 56 -7.067 8.668 -6.709 1.00 0.00 C ATOM 901 C GLU A 56 -7.730 9.096 -8.015 1.00 0.00 C ATOM 902 O GLU A 56 -8.974 9.032 -8.097 1.00 0.00 O ATOM 903 CB GLU A 56 -6.195 9.800 -6.161 1.00 0.00 C ATOM 904 CG GLU A 56 -6.938 11.115 -5.985 1.00 0.00 C ATOM 905 CD GLU A 56 -5.995 12.284 -5.776 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.557 12.504 -4.628 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.696 12.985 -6.763 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.986 9.482 -8.943 1.00 0.00 O ATOM 0 H GLU A 56 -5.321 7.627 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.851 8.447 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.782 9.495 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.353 9.956 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.556 11.302 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.612 11.038 -5.132 1.00 0.00 H new TER 915 GLU A 56