USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 Single : A 1 MET CE :methyl 157:sc= -0.0807 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ -110:sc= -0.106 (180deg=-1.09) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= -0.288 (180deg=-0.395) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.487 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= -0.161 (180deg=-0.552) USER MOD Single : A 26 LYS NZ :NH3+ 152:sc= -0.107 (180deg=-1.11) USER MOD Single : A 29 ASN : amide:sc= -0.518 K(o=-0.52,f=-1.8) USER MOD Single : A 32 CYS SG : rot -87:sc= 0.182 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 35 ASN : amide:sc= -1.55 X(o=-1.6,f=-2) USER MOD Single : A 37 TYR OH : rot -93:sc= 1.17 USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00386) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00897) USER MOD Single : A 51 ASN : amide:sc= -3.97! C(o=-4!,f=-11!) USER MOD Single : A 52 TYR OH : rot -1:sc= 1.1 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 0.0861 (180deg=0.0329) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.630 3.195 4.581 1.00 0.00 N ATOM 2 CA MET A 1 8.123 1.877 4.175 1.00 0.00 C ATOM 3 C MET A 1 7.835 1.660 2.686 1.00 0.00 C ATOM 4 O MET A 1 7.257 2.505 2.009 1.00 0.00 O ATOM 5 CB MET A 1 7.574 0.744 5.070 1.00 0.00 C ATOM 6 CG MET A 1 6.061 0.666 5.136 1.00 0.00 C ATOM 7 SD MET A 1 5.501 0.175 6.781 1.00 0.00 S ATOM 8 CE MET A 1 4.202 -0.995 6.341 1.00 0.00 C ATOM 0 H1 MET A 1 8.436 3.822 4.778 1.00 0.00 H new ATOM 0 H2 MET A 1 7.055 3.601 3.816 1.00 0.00 H new ATOM 0 H3 MET A 1 7.048 3.099 5.438 1.00 0.00 H new ATOM 0 HA MET A 1 9.203 1.847 4.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.958 -0.208 4.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.962 0.877 6.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.633 1.635 4.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.699 -0.049 4.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.033 -1.680 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.282 -0.453 6.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.505 -1.561 5.460 1.00 0.00 H new ATOM 18 N GLU A 2 8.179 0.425 2.263 1.00 0.00 N ATOM 19 CA GLU A 2 8.016 0.064 0.872 1.00 0.00 C ATOM 20 C GLU A 2 6.806 -0.862 0.827 1.00 0.00 C ATOM 21 O GLU A 2 6.591 -1.694 1.701 1.00 0.00 O ATOM 22 CB GLU A 2 9.288 -0.656 0.401 1.00 0.00 C ATOM 23 CG GLU A 2 10.467 0.325 0.327 1.00 0.00 C ATOM 24 CD GLU A 2 11.813 -0.390 0.483 1.00 0.00 C ATOM 25 OE1 GLU A 2 11.946 -1.515 0.001 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.711 0.184 1.099 1.00 0.00 O ATOM 0 H GLU A 2 8.560 -0.309 2.860 1.00 0.00 H new ATOM 0 HA GLU A 2 7.863 0.925 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.527 -1.469 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.118 -1.103 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.443 0.851 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.363 1.078 1.108 1.00 0.00 H new ATOM 33 N ALA A 3 6.063 -0.682 -0.287 1.00 0.00 N ATOM 34 CA ALA A 3 4.835 -1.437 -0.473 1.00 0.00 C ATOM 35 C ALA A 3 4.802 -1.999 -1.898 1.00 0.00 C ATOM 36 O ALA A 3 5.439 -1.486 -2.812 1.00 0.00 O ATOM 37 CB ALA A 3 3.683 -0.441 -0.273 1.00 0.00 C ATOM 0 H ALA A 3 6.294 -0.037 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 3 4.759 -2.270 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.731 -0.956 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.736 -0.021 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.764 0.361 -1.007 1.00 0.00 H new ATOM 43 N ILE A 4 4.004 -3.087 -2.011 1.00 0.00 N ATOM 44 CA ILE A 4 3.921 -3.783 -3.284 1.00 0.00 C ATOM 45 C ILE A 4 2.508 -4.313 -3.490 1.00 0.00 C ATOM 46 O ILE A 4 2.027 -5.167 -2.753 1.00 0.00 O ATOM 47 CB ILE A 4 4.861 -5.004 -3.198 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.314 -4.589 -2.924 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.797 -5.899 -4.449 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.277 -5.780 -2.910 1.00 0.00 C ATOM 0 H ILE A 4 3.435 -3.478 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 4 4.188 -3.109 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 4 4.499 -5.591 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.634 -3.877 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.366 -4.074 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.479 -6.741 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.781 -6.271 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.085 -5.320 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.289 -5.427 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.978 -6.481 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.250 -6.281 -3.878 1.00 0.00 H new ATOM 62 N ALA A 5 1.880 -3.786 -4.555 1.00 0.00 N ATOM 63 CA ALA A 5 0.547 -4.276 -4.851 1.00 0.00 C ATOM 64 C ALA A 5 0.665 -5.737 -5.346 1.00 0.00 C ATOM 65 O ALA A 5 1.334 -6.017 -6.333 1.00 0.00 O ATOM 66 CB ALA A 5 -0.077 -3.360 -5.895 1.00 0.00 C ATOM 0 H ALA A 5 2.251 -3.070 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.096 -4.271 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.081 -3.710 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.130 -2.344 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.534 -3.368 -6.798 1.00 0.00 H new ATOM 72 N LYS A 6 -0.081 -6.619 -4.662 1.00 0.00 N ATOM 73 CA LYS A 6 -0.069 -8.056 -4.967 1.00 0.00 C ATOM 74 C LYS A 6 -1.206 -8.511 -5.897 1.00 0.00 C ATOM 75 O LYS A 6 -1.096 -9.537 -6.553 1.00 0.00 O ATOM 76 CB LYS A 6 -0.251 -8.834 -3.671 1.00 0.00 C ATOM 77 CG LYS A 6 0.913 -8.663 -2.709 1.00 0.00 C ATOM 78 CD LYS A 6 1.809 -9.903 -2.703 1.00 0.00 C ATOM 79 CE LYS A 6 1.454 -10.912 -1.606 1.00 0.00 C ATOM 80 NZ LYS A 6 0.022 -11.081 -1.389 1.00 0.00 N ATOM 0 H LYS A 6 -0.700 -6.360 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 6 0.882 -8.244 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.170 -8.508 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.372 -9.892 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.499 -7.789 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.534 -8.479 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.740 -10.395 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.846 -9.591 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.888 -11.878 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.916 -10.594 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.140 -11.893 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.367 -10.221 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.450 -11.250 -2.300 1.00 0.00 H new ATOM 94 N TYR A 7 -2.312 -7.736 -5.890 1.00 0.00 N ATOM 95 CA TYR A 7 -3.478 -8.064 -6.734 1.00 0.00 C ATOM 96 C TYR A 7 -4.044 -6.728 -7.241 1.00 0.00 C ATOM 97 O TYR A 7 -3.693 -5.657 -6.762 1.00 0.00 O ATOM 98 CB TYR A 7 -4.588 -8.840 -5.949 1.00 0.00 C ATOM 99 CG TYR A 7 -4.154 -10.227 -5.433 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.291 -10.311 -4.325 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.572 -11.425 -6.061 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.781 -11.554 -3.893 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.097 -12.676 -5.622 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.202 -12.745 -4.527 1.00 0.00 C ATOM 105 OH TYR A 7 -2.745 -13.987 -4.064 1.00 0.00 O ATOM 0 H TYR A 7 -2.421 -6.896 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.163 -8.717 -7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.907 -8.234 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.456 -8.962 -6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.015 -9.410 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.265 -11.379 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.071 -11.595 -3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.415 -13.581 -6.119 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.132 -14.702 -4.611 1.00 0.00 H new ATOM 115 N ASP A 8 -4.917 -6.839 -8.260 1.00 0.00 N ATOM 116 CA ASP A 8 -5.484 -5.594 -8.778 1.00 0.00 C ATOM 117 C ASP A 8 -6.424 -4.987 -7.719 1.00 0.00 C ATOM 118 O ASP A 8 -6.800 -5.657 -6.774 1.00 0.00 O ATOM 119 CB ASP A 8 -6.222 -5.869 -10.086 1.00 0.00 C ATOM 120 CG ASP A 8 -6.782 -4.570 -10.684 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.012 -3.822 -11.278 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.974 -4.312 -10.528 1.00 0.00 O ATOM 0 H ASP A 8 -5.222 -7.704 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.690 -4.877 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.544 -6.339 -10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.036 -6.572 -9.908 1.00 0.00 H new ATOM 127 N PHE A 9 -6.649 -3.666 -7.838 1.00 0.00 N ATOM 128 CA PHE A 9 -7.611 -3.036 -6.933 1.00 0.00 C ATOM 129 C PHE A 9 -8.337 -1.903 -7.686 1.00 0.00 C ATOM 130 O PHE A 9 -7.772 -1.221 -8.527 1.00 0.00 O ATOM 131 CB PHE A 9 -6.957 -2.628 -5.594 1.00 0.00 C ATOM 132 CG PHE A 9 -7.964 -2.444 -4.452 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.693 -3.577 -4.065 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.247 -1.190 -3.852 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.772 -3.453 -3.185 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.331 -1.074 -2.942 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.082 -2.227 -2.590 1.00 0.00 C ATOM 0 H PHE A 9 -6.203 -3.047 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.377 -3.750 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.230 -3.388 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.407 -1.698 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.420 -4.549 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.641 -0.327 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.376 -4.320 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.583 -0.113 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.884 -2.157 -1.870 1.00 0.00 H new ATOM 147 N LYS A 10 -9.637 -1.802 -7.354 1.00 0.00 N ATOM 148 CA LYS A 10 -10.595 -0.859 -7.861 1.00 0.00 C ATOM 149 C LYS A 10 -11.316 -0.191 -6.676 1.00 0.00 C ATOM 150 O LYS A 10 -12.231 -0.812 -6.155 1.00 0.00 O ATOM 151 CB LYS A 10 -11.537 -1.476 -8.858 1.00 0.00 C ATOM 152 CG LYS A 10 -11.094 -1.310 -10.329 1.00 0.00 C ATOM 153 CD LYS A 10 -11.835 -0.136 -10.968 1.00 0.00 C ATOM 154 CE LYS A 10 -11.202 0.374 -12.271 1.00 0.00 C ATOM 155 NZ LYS A 10 -10.345 1.537 -12.054 1.00 0.00 N ATOM 0 H LYS A 10 -10.055 -2.434 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.072 -0.085 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.638 -2.539 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.524 -1.030 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.018 -1.141 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.298 -2.225 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.863 -0.436 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.878 0.685 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.617 -0.426 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.990 0.633 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.941 1.845 -12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.907 2.311 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.576 1.285 -11.401 1.00 0.00 H new ATOM 169 N ALA A 11 -10.933 1.049 -6.297 1.00 0.00 N ATOM 170 CA ALA A 11 -11.531 1.728 -5.137 1.00 0.00 C ATOM 171 C ALA A 11 -13.068 1.620 -5.075 1.00 0.00 C ATOM 172 O ALA A 11 -13.757 1.306 -6.041 1.00 0.00 O ATOM 173 CB ALA A 11 -11.234 3.220 -5.122 1.00 0.00 C ATOM 0 H ALA A 11 -10.216 1.593 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.078 1.213 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.697 3.674 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.156 3.376 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.636 3.680 -6.025 1.00 0.00 H new ATOM 179 N THR A 12 -13.513 1.865 -3.822 1.00 0.00 N ATOM 180 CA THR A 12 -14.919 1.808 -3.444 1.00 0.00 C ATOM 181 C THR A 12 -15.459 3.187 -2.962 1.00 0.00 C ATOM 182 O THR A 12 -16.647 3.457 -3.087 1.00 0.00 O ATOM 183 CB THR A 12 -15.104 0.724 -2.333 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.829 1.354 -1.019 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.370 -0.642 -2.633 1.00 0.00 C ATOM 0 H THR A 12 -12.893 2.108 -3.050 1.00 0.00 H new ATOM 0 HA THR A 12 -15.499 1.540 -4.327 1.00 0.00 H new ATOM 0 HB THR A 12 -16.139 0.383 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.941 0.689 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.549 -1.339 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.755 -1.066 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.299 -0.465 -2.732 1.00 0.00 H new ATOM 193 N ALA A 13 -14.552 4.051 -2.450 1.00 0.00 N ATOM 194 CA ALA A 13 -15.062 5.340 -1.946 1.00 0.00 C ATOM 195 C ALA A 13 -13.990 6.412 -2.037 1.00 0.00 C ATOM 196 O ALA A 13 -12.811 6.172 -2.246 1.00 0.00 O ATOM 197 CB ALA A 13 -15.549 5.214 -0.493 1.00 0.00 C ATOM 0 H ALA A 13 -13.546 3.898 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.907 5.628 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.919 6.180 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.351 4.478 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.722 4.895 0.142 1.00 0.00 H new ATOM 203 N ASP A 14 -14.530 7.616 -1.825 1.00 0.00 N ATOM 204 CA ASP A 14 -13.798 8.863 -1.875 1.00 0.00 C ATOM 205 C ASP A 14 -12.405 8.816 -1.189 1.00 0.00 C ATOM 206 O ASP A 14 -11.436 9.329 -1.732 1.00 0.00 O ATOM 207 CB ASP A 14 -14.732 9.875 -1.218 1.00 0.00 C ATOM 208 CG ASP A 14 -14.137 11.285 -1.319 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.099 11.826 -2.423 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.709 11.817 -0.297 1.00 0.00 O ATOM 0 H ASP A 14 -15.519 7.742 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.547 9.123 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.708 9.848 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.888 9.612 -0.172 1.00 0.00 H new ATOM 215 N ASP A 15 -12.337 8.133 -0.022 1.00 0.00 N ATOM 216 CA ASP A 15 -11.055 8.103 0.708 1.00 0.00 C ATOM 217 C ASP A 15 -10.049 6.993 0.277 1.00 0.00 C ATOM 218 O ASP A 15 -8.953 6.906 0.811 1.00 0.00 O ATOM 219 CB ASP A 15 -11.385 7.978 2.200 1.00 0.00 C ATOM 220 CG ASP A 15 -11.818 6.562 2.624 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.234 5.784 1.770 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.715 6.247 3.808 1.00 0.00 O ATOM 0 H ASP A 15 -13.107 7.624 0.412 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.531 9.028 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.511 8.270 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.181 8.680 2.447 1.00 0.00 H new ATOM 227 N GLU A 16 -10.446 6.197 -0.720 1.00 0.00 N ATOM 228 CA GLU A 16 -9.599 5.127 -1.254 1.00 0.00 C ATOM 229 C GLU A 16 -9.194 5.506 -2.680 1.00 0.00 C ATOM 230 O GLU A 16 -9.889 6.234 -3.374 1.00 0.00 O ATOM 231 CB GLU A 16 -10.390 3.813 -1.326 1.00 0.00 C ATOM 232 CG GLU A 16 -10.357 3.085 0.015 1.00 0.00 C ATOM 233 CD GLU A 16 -11.424 1.990 0.075 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.369 1.072 -0.745 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.305 2.083 0.928 1.00 0.00 O ATOM 0 H GLU A 16 -11.355 6.275 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.730 4.999 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.423 4.020 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.971 3.173 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.372 2.645 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.518 3.798 0.823 1.00 0.00 H new ATOM 242 N LEU A 17 -8.055 4.916 -3.086 1.00 0.00 N ATOM 243 CA LEU A 17 -7.545 5.146 -4.439 1.00 0.00 C ATOM 244 C LEU A 17 -7.078 3.803 -5.016 1.00 0.00 C ATOM 245 O LEU A 17 -6.736 2.876 -4.293 1.00 0.00 O ATOM 246 CB LEU A 17 -6.515 6.282 -4.496 1.00 0.00 C ATOM 247 CG LEU A 17 -5.103 5.932 -4.031 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.360 5.074 -5.050 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.318 7.217 -3.809 1.00 0.00 C ATOM 0 H LEU A 17 -7.487 4.294 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.340 5.516 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.459 6.643 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.882 7.109 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.191 5.361 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.361 4.850 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.905 4.144 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.282 5.615 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.309 6.974 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.268 7.778 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.815 7.820 -3.049 1.00 0.00 H new ATOM 261 N SER A 18 -7.078 3.753 -6.354 1.00 0.00 N ATOM 262 CA SER A 18 -6.706 2.512 -7.040 1.00 0.00 C ATOM 263 C SER A 18 -5.290 2.250 -7.334 1.00 0.00 C ATOM 264 O SER A 18 -4.412 3.054 -7.089 1.00 0.00 O ATOM 265 CB SER A 18 -7.571 2.542 -8.370 1.00 0.00 C ATOM 266 OG SER A 18 -9.001 2.240 -8.228 1.00 0.00 O ATOM 0 H SER A 18 -7.323 4.531 -6.966 1.00 0.00 H new ATOM 0 HA SER A 18 -6.904 1.687 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.474 3.531 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.140 1.830 -9.074 1.00 0.00 H new ATOM 0 HG SER A 18 -9.434 2.289 -9.106 1.00 0.00 H new ATOM 272 N PHE A 19 -5.178 0.994 -7.826 1.00 0.00 N ATOM 273 CA PHE A 19 -3.903 0.480 -8.308 1.00 0.00 C ATOM 274 C PHE A 19 -4.170 -0.760 -9.175 1.00 0.00 C ATOM 275 O PHE A 19 -5.299 -1.139 -9.461 1.00 0.00 O ATOM 276 CB PHE A 19 -2.895 0.172 -7.144 1.00 0.00 C ATOM 277 CG PHE A 19 -3.414 -0.716 -5.988 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.097 -0.128 -4.907 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.221 -2.119 -5.979 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.613 -0.916 -3.867 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.710 -2.903 -4.919 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.405 -2.303 -3.862 1.00 0.00 C ATOM 0 H PHE A 19 -5.954 0.335 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.421 1.250 -8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.017 -0.309 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.564 1.121 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.226 0.944 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.693 -2.591 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.172 -0.453 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.549 -3.971 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.779 -2.905 -3.047 1.00 0.00 H new ATOM 292 N LYS A 20 -3.040 -1.349 -9.581 1.00 0.00 N ATOM 293 CA LYS A 20 -3.044 -2.527 -10.420 1.00 0.00 C ATOM 294 C LYS A 20 -1.915 -3.419 -9.898 1.00 0.00 C ATOM 295 O LYS A 20 -0.845 -2.925 -9.569 1.00 0.00 O ATOM 296 CB LYS A 20 -3.012 -2.146 -11.919 1.00 0.00 C ATOM 297 CG LYS A 20 -1.929 -2.822 -12.757 1.00 0.00 C ATOM 298 CD LYS A 20 -0.581 -2.083 -12.736 1.00 0.00 C ATOM 299 CE LYS A 20 -0.706 -0.575 -12.994 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.600 -0.263 -14.104 1.00 0.00 N ATOM 0 H LYS A 20 -2.108 -1.016 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.966 -3.106 -10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.982 -2.383 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.883 -1.066 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.782 -3.839 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.275 -2.900 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.105 -2.240 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.075 -2.519 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.071 -0.086 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.282 -0.164 -13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.199 0.516 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.710 -1.103 -14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.529 0.020 -13.732 1.00 0.00 H new ATOM 314 N ARG A 21 -2.196 -4.740 -9.880 1.00 0.00 N ATOM 315 CA ARG A 21 -1.222 -5.722 -9.388 1.00 0.00 C ATOM 316 C ARG A 21 0.197 -5.444 -9.940 1.00 0.00 C ATOM 317 O ARG A 21 0.516 -5.782 -11.074 1.00 0.00 O ATOM 318 CB ARG A 21 -1.659 -7.116 -9.846 1.00 0.00 C ATOM 319 CG ARG A 21 -0.671 -8.212 -9.418 1.00 0.00 C ATOM 320 CD ARG A 21 0.111 -8.826 -10.592 1.00 0.00 C ATOM 321 NE ARG A 21 0.455 -10.215 -10.315 1.00 0.00 N ATOM 322 CZ ARG A 21 1.561 -10.580 -9.630 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.436 -9.691 -9.166 1.00 0.00 N ATOM 324 NH2 ARG A 21 1.787 -11.867 -9.419 1.00 0.00 N ATOM 0 H ARG A 21 -3.079 -5.141 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.187 -5.654 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.644 -7.338 -9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.758 -7.124 -10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.035 -7.794 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.218 -9.002 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.486 -8.769 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.019 -8.250 -10.770 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.169 -10.947 -10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.283 -8.695 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.260 -10.006 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.131 -12.564 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.617 -12.161 -8.904 1.00 0.00 H new ATOM 338 N GLY A 22 1.021 -4.832 -9.056 1.00 0.00 N ATOM 339 CA GLY A 22 2.377 -4.485 -9.441 1.00 0.00 C ATOM 340 C GLY A 22 2.820 -3.080 -8.996 1.00 0.00 C ATOM 341 O GLY A 22 4.013 -2.858 -8.840 1.00 0.00 O ATOM 0 H GLY A 22 0.765 -4.581 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.062 -5.220 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.464 -4.554 -10.525 1.00 0.00 H new ATOM 345 N ASP A 23 1.866 -2.133 -8.787 1.00 0.00 N ATOM 346 CA ASP A 23 2.326 -0.798 -8.419 1.00 0.00 C ATOM 347 C ASP A 23 3.168 -0.792 -7.139 1.00 0.00 C ATOM 348 O ASP A 23 2.908 -1.509 -6.182 1.00 0.00 O ATOM 349 CB ASP A 23 1.158 0.182 -8.291 1.00 0.00 C ATOM 350 CG ASP A 23 0.471 0.357 -9.651 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.167 0.475 -10.661 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.752 0.388 -9.687 1.00 0.00 O ATOM 0 H ASP A 23 0.857 -2.264 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 23 2.972 -0.468 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.442 -0.187 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.518 1.145 -7.929 1.00 0.00 H new ATOM 357 N ILE A 24 4.139 0.130 -7.166 1.00 0.00 N ATOM 358 CA ILE A 24 5.036 0.318 -6.040 1.00 0.00 C ATOM 359 C ILE A 24 4.422 1.497 -5.292 1.00 0.00 C ATOM 360 O ILE A 24 4.470 2.619 -5.779 1.00 0.00 O ATOM 361 CB ILE A 24 6.444 0.626 -6.589 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.028 -0.633 -7.263 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.388 1.262 -5.554 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.802 -1.583 -6.335 1.00 0.00 C ATOM 0 H ILE A 24 4.316 0.751 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 24 5.146 -0.545 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 24 6.342 1.400 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.211 -1.189 -7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.693 -0.318 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.358 1.449 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.964 2.203 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.511 0.584 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.169 -2.434 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.645 -1.053 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.141 -1.937 -5.544 1.00 0.00 H new ATOM 376 N LEU A 25 3.933 1.220 -4.059 1.00 0.00 N ATOM 377 CA LEU A 25 3.252 2.313 -3.375 1.00 0.00 C ATOM 378 C LEU A 25 4.183 2.934 -2.350 1.00 0.00 C ATOM 379 O LEU A 25 5.185 2.365 -1.920 1.00 0.00 O ATOM 380 CB LEU A 25 2.065 1.815 -2.543 1.00 0.00 C ATOM 381 CG LEU A 25 1.027 0.981 -3.262 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.607 1.562 -4.588 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.341 -0.519 -3.368 1.00 0.00 C ATOM 0 H LEU A 25 3.993 0.330 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 25 2.934 3.005 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.456 1.228 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.565 2.682 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 25 0.166 1.037 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.138 0.914 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.180 2.553 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.475 1.640 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.534 -1.023 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.276 -0.658 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.436 -0.942 -2.368 1.00 0.00 H new ATOM 395 N LYS A 26 3.706 4.146 -2.003 1.00 0.00 N ATOM 396 CA LYS A 26 4.413 4.976 -1.035 1.00 0.00 C ATOM 397 C LYS A 26 3.636 4.856 0.261 1.00 0.00 C ATOM 398 O LYS A 26 2.543 5.382 0.364 1.00 0.00 O ATOM 399 CB LYS A 26 4.516 6.426 -1.500 1.00 0.00 C ATOM 400 CG LYS A 26 5.701 7.118 -0.821 1.00 0.00 C ATOM 401 CD LYS A 26 5.513 8.628 -0.704 1.00 0.00 C ATOM 402 CE LYS A 26 4.649 9.008 0.500 1.00 0.00 C ATOM 403 NZ LYS A 26 4.761 10.429 0.802 1.00 0.00 N ATOM 0 H LYS A 26 2.850 4.557 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 26 5.443 4.642 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.638 6.460 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.593 6.957 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.842 6.695 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.610 6.912 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.487 9.109 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.051 9.007 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.608 8.758 0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.954 8.424 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.884 10.758 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.562 10.585 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.917 10.960 -0.079 1.00 0.00 H new ATOM 417 N VAL A 27 4.239 4.194 1.261 1.00 0.00 N ATOM 418 CA VAL A 27 3.449 3.982 2.466 1.00 0.00 C ATOM 419 C VAL A 27 3.583 5.160 3.431 1.00 0.00 C ATOM 420 O VAL A 27 4.530 5.234 4.204 1.00 0.00 O ATOM 421 CB VAL A 27 4.034 2.736 3.168 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.332 2.439 4.502 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.061 1.490 2.277 1.00 0.00 C ATOM 0 H VAL A 27 5.190 3.826 1.262 1.00 0.00 H new ATOM 0 HA VAL A 27 2.399 3.868 2.197 1.00 0.00 H new ATOM 0 HB VAL A 27 5.072 2.990 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.777 1.555 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.448 3.291 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.272 2.260 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.484 0.654 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.046 1.243 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.673 1.686 1.396 1.00 0.00 H new ATOM 433 N LEU A 28 2.548 6.025 3.396 1.00 0.00 N ATOM 434 CA LEU A 28 2.567 7.144 4.321 1.00 0.00 C ATOM 435 C LEU A 28 1.744 6.725 5.540 1.00 0.00 C ATOM 436 O LEU A 28 0.563 7.031 5.653 1.00 0.00 O ATOM 437 CB LEU A 28 1.899 8.354 3.650 1.00 0.00 C ATOM 438 CG LEU A 28 2.220 9.692 4.337 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.682 9.776 5.768 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.723 9.976 4.323 1.00 0.00 C ATOM 0 H LEU A 28 1.742 5.968 2.774 1.00 0.00 H new ATOM 0 HA LEU A 28 3.585 7.409 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.218 8.404 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.819 8.207 3.646 1.00 0.00 H new ATOM 0 HG LEU A 28 1.706 10.457 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.941 10.744 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.598 9.663 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.123 8.982 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.918 10.929 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.249 9.180 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.075 10.022 3.292 1.00 0.00 H new ATOM 452 N ASN A 29 2.474 6.127 6.493 1.00 0.00 N ATOM 453 CA ASN A 29 1.827 5.695 7.728 1.00 0.00 C ATOM 454 C ASN A 29 0.657 4.703 7.478 1.00 0.00 C ATOM 455 O ASN A 29 0.365 4.273 6.364 1.00 0.00 O ATOM 456 CB ASN A 29 1.381 6.940 8.519 1.00 0.00 C ATOM 457 CG ASN A 29 2.543 7.914 8.783 1.00 0.00 C ATOM 458 OD1 ASN A 29 3.700 7.655 8.473 1.00 0.00 O ATOM 459 ND2 ASN A 29 2.151 9.057 9.370 1.00 0.00 N ATOM 0 H ASN A 29 3.475 5.939 6.433 1.00 0.00 H new ATOM 0 HA ASN A 29 2.548 5.134 8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.596 7.456 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.949 6.628 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.837 9.780 9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.168 9.202 9.599 1.00 0.00 H new ATOM 466 N GLU A 30 0.055 4.375 8.640 1.00 0.00 N ATOM 467 CA GLU A 30 -1.076 3.462 8.765 1.00 0.00 C ATOM 468 C GLU A 30 -1.760 3.801 10.095 1.00 0.00 C ATOM 469 O GLU A 30 -1.176 3.637 11.160 1.00 0.00 O ATOM 470 CB GLU A 30 -0.564 2.019 8.846 1.00 0.00 C ATOM 471 CG GLU A 30 -1.692 0.980 9.011 1.00 0.00 C ATOM 472 CD GLU A 30 -1.674 0.310 10.393 1.00 0.00 C ATOM 473 OE1 GLU A 30 -1.634 1.011 11.401 1.00 0.00 O ATOM 474 OE2 GLU A 30 -1.702 -0.916 10.446 1.00 0.00 O ATOM 0 H GLU A 30 0.359 4.754 9.537 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.752 3.558 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.002 1.790 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.126 1.932 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.655 1.467 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.595 0.217 8.239 1.00 0.00 H new ATOM 481 N GLU A 31 -3.011 4.287 9.993 1.00 0.00 N ATOM 482 CA GLU A 31 -3.700 4.667 11.211 1.00 0.00 C ATOM 483 C GLU A 31 -5.162 4.982 10.860 1.00 0.00 C ATOM 484 O GLU A 31 -5.447 5.891 10.092 1.00 0.00 O ATOM 485 CB GLU A 31 -3.009 5.873 11.856 1.00 0.00 C ATOM 486 CG GLU A 31 -3.177 7.112 10.994 1.00 0.00 C ATOM 487 CD GLU A 31 -2.058 8.129 11.219 1.00 0.00 C ATOM 488 OE1 GLU A 31 -2.151 8.900 12.172 1.00 0.00 O ATOM 489 OE2 GLU A 31 -1.104 8.137 10.440 1.00 0.00 O ATOM 0 H GLU A 31 -3.531 4.416 9.125 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.671 3.852 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.429 6.053 12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.949 5.660 11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.196 6.822 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.138 7.577 11.213 1.00 0.00 H new ATOM 496 N CYS A 32 -6.045 4.156 11.450 1.00 0.00 N ATOM 497 CA CYS A 32 -7.501 4.234 11.297 1.00 0.00 C ATOM 498 C CYS A 32 -8.139 2.840 11.426 1.00 0.00 C ATOM 499 O CYS A 32 -9.075 2.682 12.199 1.00 0.00 O ATOM 500 CB CYS A 32 -7.949 4.961 10.017 1.00 0.00 C ATOM 501 SG CYS A 32 -9.651 4.634 9.512 1.00 0.00 S ATOM 0 H CYS A 32 -5.752 3.395 12.063 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.867 4.853 12.116 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.830 6.034 10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.283 4.676 9.203 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.685 3.570 8.766 1.00 0.00 H new ATOM 507 N ASP A 33 -7.636 1.843 10.652 1.00 0.00 N ATOM 508 CA ASP A 33 -8.239 0.505 10.790 1.00 0.00 C ATOM 509 C ASP A 33 -7.293 -0.610 10.285 1.00 0.00 C ATOM 510 O ASP A 33 -7.011 -0.708 9.095 1.00 0.00 O ATOM 511 CB ASP A 33 -9.550 0.326 9.995 1.00 0.00 C ATOM 512 CG ASP A 33 -10.453 1.548 9.807 1.00 0.00 C ATOM 513 OD1 ASP A 33 -11.107 1.960 10.761 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.510 2.051 8.687 1.00 0.00 O ATOM 0 H ASP A 33 -6.875 1.930 9.979 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.435 0.424 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.291 -0.052 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.136 -0.449 10.489 1.00 0.00 H new ATOM 519 N GLN A 34 -6.899 -1.492 11.229 1.00 0.00 N ATOM 520 CA GLN A 34 -6.031 -2.614 10.944 1.00 0.00 C ATOM 521 C GLN A 34 -6.798 -3.484 9.930 1.00 0.00 C ATOM 522 O GLN A 34 -7.714 -4.211 10.279 1.00 0.00 O ATOM 523 CB GLN A 34 -5.857 -3.362 12.251 1.00 0.00 C ATOM 524 CG GLN A 34 -4.795 -4.426 12.073 1.00 0.00 C ATOM 525 CD GLN A 34 -4.925 -5.543 13.105 1.00 0.00 C ATOM 526 OE1 GLN A 34 -5.613 -5.428 14.111 1.00 0.00 O ATOM 527 NE2 GLN A 34 -4.218 -6.630 12.772 1.00 0.00 N ATOM 0 H GLN A 34 -7.184 -1.430 12.206 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.056 -2.334 10.546 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.569 -2.672 13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.800 -3.818 12.552 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.869 -4.848 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.808 -3.970 12.155 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.671 -6.638 11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.227 -7.450 13.379 1.00 0.00 H new ATOM 536 N ASN A 35 -6.243 -3.380 8.714 1.00 0.00 N ATOM 537 CA ASN A 35 -6.710 -3.940 7.453 1.00 0.00 C ATOM 538 C ASN A 35 -6.420 -3.020 6.236 1.00 0.00 C ATOM 539 O ASN A 35 -6.587 -3.474 5.115 1.00 0.00 O ATOM 540 CB ASN A 35 -8.222 -4.216 7.496 1.00 0.00 C ATOM 541 CG ASN A 35 -8.523 -5.626 8.039 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.866 -6.573 7.688 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.594 -5.695 8.857 1.00 0.00 N ATOM 0 H ASN A 35 -5.379 -2.853 8.585 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.155 -4.869 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.711 -3.471 8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.640 -4.114 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.898 -6.597 9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.099 -4.845 9.108 1.00 0.00 H new ATOM 550 N TRP A 36 -6.010 -1.769 6.470 1.00 0.00 N ATOM 551 CA TRP A 36 -5.765 -0.834 5.365 1.00 0.00 C ATOM 552 C TRP A 36 -4.457 -0.066 5.622 1.00 0.00 C ATOM 553 O TRP A 36 -3.949 -0.004 6.734 1.00 0.00 O ATOM 554 CB TRP A 36 -6.987 0.132 5.230 1.00 0.00 C ATOM 555 CG TRP A 36 -8.277 -0.626 4.856 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.050 -1.385 5.768 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.872 -0.806 3.523 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.040 -2.011 5.065 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.964 -1.703 3.686 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.573 -0.312 2.261 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.716 -2.092 2.588 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.336 -0.693 1.134 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.415 -1.590 1.301 1.00 0.00 C ATOM 0 H TRP A 36 -5.843 -1.384 7.400 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.654 -1.375 4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.137 0.663 6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.774 0.884 4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.886 -1.456 6.833 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.743 -2.622 5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.747 0.372 2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.536 -2.782 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.097 -0.303 0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.007 -1.891 0.449 1.00 0.00 H new ATOM 574 N TYR A 37 -3.951 0.494 4.509 1.00 0.00 N ATOM 575 CA TYR A 37 -2.730 1.301 4.529 1.00 0.00 C ATOM 576 C TYR A 37 -3.045 2.583 3.746 1.00 0.00 C ATOM 577 O TYR A 37 -3.825 2.572 2.805 1.00 0.00 O ATOM 578 CB TYR A 37 -1.542 0.626 3.774 1.00 0.00 C ATOM 579 CG TYR A 37 -0.956 -0.595 4.495 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.559 -0.465 5.836 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.826 -1.849 3.860 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.115 -1.570 6.563 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.345 -2.968 4.563 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.035 -2.819 5.937 1.00 0.00 C ATOM 585 OH TYR A 37 0.280 -3.910 6.736 1.00 0.00 O ATOM 0 H TYR A 37 -4.374 0.399 3.586 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.443 1.454 5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.881 0.322 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.752 1.363 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.598 0.504 6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.100 -1.950 2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.165 -1.462 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.215 -3.918 4.067 1.00 0.00 H new ATOM 0 HH TYR A 37 1.249 -4.053 6.726 1.00 0.00 H new ATOM 595 N LYS A 38 -2.435 3.686 4.224 1.00 0.00 N ATOM 596 CA LYS A 38 -2.597 4.965 3.542 1.00 0.00 C ATOM 597 C LYS A 38 -1.311 5.175 2.735 1.00 0.00 C ATOM 598 O LYS A 38 -0.232 5.220 3.309 1.00 0.00 O ATOM 599 CB LYS A 38 -2.809 6.083 4.558 1.00 0.00 C ATOM 600 CG LYS A 38 -2.982 7.427 3.851 1.00 0.00 C ATOM 601 CD LYS A 38 -3.611 8.476 4.766 1.00 0.00 C ATOM 602 CE LYS A 38 -4.370 9.552 3.991 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.557 10.278 3.022 1.00 0.00 N ATOM 0 H LYS A 38 -1.845 3.710 5.055 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.470 4.973 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.689 5.869 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.958 6.130 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.011 7.782 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.607 7.295 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.292 7.985 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.830 8.946 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.207 9.086 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.793 10.264 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.135 11.011 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.754 10.725 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.202 9.617 2.302 1.00 0.00 H new ATOM 617 N ALA A 39 -1.470 5.319 1.404 1.00 0.00 N ATOM 618 CA ALA A 39 -0.280 5.447 0.564 1.00 0.00 C ATOM 619 C ALA A 39 -0.453 6.434 -0.590 1.00 0.00 C ATOM 620 O ALA A 39 -1.519 7.005 -0.780 1.00 0.00 O ATOM 621 CB ALA A 39 0.096 4.060 0.044 1.00 0.00 C ATOM 0 H ALA A 39 -2.364 5.348 0.914 1.00 0.00 H new ATOM 0 HA ALA A 39 0.522 5.858 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.983 4.135 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.304 3.400 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.730 3.654 -0.540 1.00 0.00 H new ATOM 627 N GLU A 40 0.680 6.614 -1.329 1.00 0.00 N ATOM 628 CA GLU A 40 0.635 7.541 -2.467 1.00 0.00 C ATOM 629 C GLU A 40 0.989 6.831 -3.809 1.00 0.00 C ATOM 630 O GLU A 40 1.901 6.056 -3.932 1.00 0.00 O ATOM 631 CB GLU A 40 1.608 8.692 -2.203 1.00 0.00 C ATOM 632 CG GLU A 40 1.199 9.964 -2.958 1.00 0.00 C ATOM 633 CD GLU A 40 2.032 11.156 -2.483 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.259 11.079 -2.557 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.445 12.138 -2.030 1.00 0.00 O ATOM 0 H GLU A 40 1.576 6.156 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.382 7.922 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.645 8.899 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.613 8.396 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.337 9.819 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.140 10.165 -2.798 1.00 0.00 H new ATOM 642 N LEU A 41 0.187 7.285 -4.799 1.00 0.00 N ATOM 643 CA LEU A 41 0.204 6.912 -6.239 1.00 0.00 C ATOM 644 C LEU A 41 -0.503 7.871 -7.118 1.00 0.00 C ATOM 645 O LEU A 41 -1.356 8.586 -6.700 1.00 0.00 O ATOM 646 CB LEU A 41 -0.615 5.627 -6.582 1.00 0.00 C ATOM 647 CG LEU A 41 0.017 4.262 -6.415 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.114 3.245 -6.411 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.828 4.049 -7.716 1.00 0.00 C ATOM 0 H LEU A 41 -0.542 7.971 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 41 1.279 6.832 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.517 5.644 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.933 5.713 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 41 0.623 4.171 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.702 2.243 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.792 3.459 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.659 3.304 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.323 3.078 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.156 4.084 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.577 4.835 -7.810 1.00 0.00 H new ATOM 661 N ASN A 42 -0.020 7.824 -8.388 1.00 0.00 N ATOM 662 CA ASN A 42 -0.751 8.531 -9.435 1.00 0.00 C ATOM 663 C ASN A 42 -1.148 10.002 -9.123 1.00 0.00 C ATOM 664 O ASN A 42 -2.105 10.508 -9.694 1.00 0.00 O ATOM 665 CB ASN A 42 -1.999 7.624 -9.715 1.00 0.00 C ATOM 666 CG ASN A 42 -2.182 7.346 -11.206 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.857 8.065 -11.925 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.521 6.242 -11.598 1.00 0.00 N ATOM 0 H ASN A 42 0.822 7.332 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.105 8.668 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.888 6.680 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.894 8.108 -9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.560 5.943 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.981 5.704 -10.921 1.00 0.00 H new ATOM 675 N GLY A 43 -0.414 10.657 -8.192 1.00 0.00 N ATOM 676 CA GLY A 43 -0.763 12.035 -7.825 1.00 0.00 C ATOM 677 C GLY A 43 -1.827 12.205 -6.698 1.00 0.00 C ATOM 678 O GLY A 43 -2.109 13.321 -6.282 1.00 0.00 O ATOM 0 H GLY A 43 0.391 10.266 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.148 12.547 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.127 12.544 -8.717 1.00 0.00 H new ATOM 682 N LYS A 44 -2.418 11.085 -6.235 1.00 0.00 N ATOM 683 CA LYS A 44 -3.391 11.040 -5.153 1.00 0.00 C ATOM 684 C LYS A 44 -2.798 10.177 -4.021 1.00 0.00 C ATOM 685 O LYS A 44 -1.772 9.522 -4.146 1.00 0.00 O ATOM 686 CB LYS A 44 -4.671 10.357 -5.647 1.00 0.00 C ATOM 687 CG LYS A 44 -5.580 11.275 -6.466 1.00 0.00 C ATOM 688 CD LYS A 44 -6.526 10.447 -7.342 1.00 0.00 C ATOM 689 CE LYS A 44 -5.829 9.967 -8.624 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.850 8.519 -8.794 1.00 0.00 N ATOM 0 H LYS A 44 -2.217 10.164 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.617 12.050 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.400 9.493 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.227 9.982 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.158 11.914 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.976 11.931 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.886 9.586 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.399 11.045 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.310 10.432 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.794 10.308 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.363 8.266 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.367 8.068 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.835 8.188 -8.835 1.00 0.00 H new ATOM 704 N ASP A 45 -3.566 10.198 -2.931 1.00 0.00 N ATOM 705 CA ASP A 45 -3.229 9.458 -1.728 1.00 0.00 C ATOM 706 C ASP A 45 -4.553 8.924 -1.148 1.00 0.00 C ATOM 707 O ASP A 45 -5.545 9.636 -1.062 1.00 0.00 O ATOM 708 CB ASP A 45 -2.506 10.372 -0.728 1.00 0.00 C ATOM 709 CG ASP A 45 -3.329 11.594 -0.261 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.289 11.986 -0.921 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.995 12.143 0.785 1.00 0.00 O ATOM 0 H ASP A 45 -4.435 10.728 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.553 8.631 -1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.227 9.783 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.581 10.726 -1.183 1.00 0.00 H new ATOM 716 N GLY A 46 -4.538 7.628 -0.784 1.00 0.00 N ATOM 717 CA GLY A 46 -5.781 7.070 -0.262 1.00 0.00 C ATOM 718 C GLY A 46 -5.557 5.690 0.348 1.00 0.00 C ATOM 719 O GLY A 46 -4.452 5.156 0.324 1.00 0.00 O ATOM 0 H GLY A 46 -3.740 6.995 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.194 7.740 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.516 7.000 -1.064 1.00 0.00 H new ATOM 723 N PHE A 47 -6.663 5.133 0.889 1.00 0.00 N ATOM 724 CA PHE A 47 -6.550 3.816 1.513 1.00 0.00 C ATOM 725 C PHE A 47 -6.495 2.664 0.474 1.00 0.00 C ATOM 726 O PHE A 47 -7.085 2.726 -0.598 1.00 0.00 O ATOM 727 CB PHE A 47 -7.740 3.610 2.488 1.00 0.00 C ATOM 728 CG PHE A 47 -7.689 4.532 3.723 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.782 4.292 4.779 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.543 5.644 3.805 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.739 5.153 5.897 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.483 6.522 4.896 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.595 6.268 5.959 1.00 0.00 C ATOM 0 H PHE A 47 -7.592 5.554 0.904 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.607 3.786 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.673 3.785 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.752 2.572 2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.116 3.443 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.257 5.825 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.049 4.956 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.119 7.395 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.571 6.925 6.816 1.00 0.00 H new ATOM 743 N ILE A 48 -5.722 1.625 0.886 1.00 0.00 N ATOM 744 CA ILE A 48 -5.528 0.382 0.127 1.00 0.00 C ATOM 745 C ILE A 48 -5.480 -0.780 1.143 1.00 0.00 C ATOM 746 O ILE A 48 -4.774 -0.688 2.132 1.00 0.00 O ATOM 747 CB ILE A 48 -4.218 0.441 -0.679 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.978 0.609 0.208 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.256 1.556 -1.729 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.702 0.739 -0.618 1.00 0.00 C ATOM 0 H ILE A 48 -5.213 1.638 1.770 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.344 0.239 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.137 -0.523 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.097 1.493 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.892 -0.247 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.315 1.569 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.079 1.376 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.401 2.517 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.847 0.856 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.569 -0.156 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.777 1.610 -1.269 1.00 0.00 H new ATOM 762 N PRO A 49 -6.135 -1.934 0.863 1.00 0.00 N ATOM 763 CA PRO A 49 -6.143 -3.011 1.859 1.00 0.00 C ATOM 764 C PRO A 49 -4.785 -3.708 2.050 1.00 0.00 C ATOM 765 O PRO A 49 -4.048 -3.914 1.095 1.00 0.00 O ATOM 766 CB PRO A 49 -7.169 -4.017 1.337 1.00 0.00 C ATOM 767 CG PRO A 49 -7.427 -3.670 -0.129 1.00 0.00 C ATOM 768 CD PRO A 49 -6.761 -2.325 -0.410 1.00 0.00 C ATOM 0 HA PRO A 49 -6.381 -2.599 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.793 -5.036 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.092 -3.962 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.021 -4.442 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.498 -3.616 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.019 -2.411 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.491 -1.584 -0.734 1.00 0.00 H new ATOM 776 N LYS A 50 -4.543 -4.165 3.308 1.00 0.00 N ATOM 777 CA LYS A 50 -3.246 -4.809 3.534 1.00 0.00 C ATOM 778 C LYS A 50 -3.174 -6.187 2.842 1.00 0.00 C ATOM 779 O LYS A 50 -2.187 -6.488 2.192 1.00 0.00 O ATOM 780 CB LYS A 50 -2.891 -4.926 5.013 1.00 0.00 C ATOM 781 CG LYS A 50 -3.954 -5.624 5.833 1.00 0.00 C ATOM 782 CD LYS A 50 -3.602 -5.630 7.326 1.00 0.00 C ATOM 783 CE LYS A 50 -2.429 -6.553 7.655 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.798 -7.964 7.582 1.00 0.00 N ATOM 0 H LYS A 50 -5.173 -4.104 4.108 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.500 -4.156 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.951 -5.470 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.726 -3.928 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.913 -5.126 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.070 -6.649 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.359 -4.615 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.475 -5.942 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.610 -6.357 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.061 -6.327 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.991 -8.550 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.606 -8.144 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.060 -8.204 6.605 1.00 0.00 H new ATOM 798 N ASN A 51 -4.260 -6.985 2.951 1.00 0.00 N ATOM 799 CA ASN A 51 -4.293 -8.305 2.301 1.00 0.00 C ATOM 800 C ASN A 51 -3.979 -8.247 0.782 1.00 0.00 C ATOM 801 O ASN A 51 -3.415 -9.199 0.263 1.00 0.00 O ATOM 802 CB ASN A 51 -5.596 -9.071 2.557 1.00 0.00 C ATOM 803 CG ASN A 51 -6.806 -8.172 2.319 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.931 -7.117 2.922 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.702 -8.649 1.451 1.00 0.00 N ATOM 0 H ASN A 51 -5.104 -6.742 3.471 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.488 -8.865 2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.648 -9.940 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.609 -9.444 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.554 -8.123 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.534 -9.539 0.982 1.00 0.00 H new ATOM 812 N TYR A 52 -4.202 -7.077 0.126 1.00 0.00 N ATOM 813 CA TYR A 52 -3.916 -7.002 -1.319 1.00 0.00 C ATOM 814 C TYR A 52 -2.443 -6.562 -1.589 1.00 0.00 C ATOM 815 O TYR A 52 -2.079 -6.464 -2.746 1.00 0.00 O ATOM 816 CB TYR A 52 -4.887 -6.005 -2.017 1.00 0.00 C ATOM 817 CG TYR A 52 -6.218 -6.629 -2.475 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.039 -7.286 -1.540 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.648 -6.552 -3.818 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.245 -7.884 -1.941 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.838 -7.149 -4.253 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.657 -7.831 -3.302 1.00 0.00 C ATOM 823 OH TYR A 52 -9.893 -8.478 -3.640 1.00 0.00 O ATOM 0 H TYR A 52 -4.559 -6.221 0.551 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.061 -8.001 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.101 -5.185 -1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.385 -5.574 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.739 -7.331 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.040 -6.016 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.863 -8.387 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.132 -7.095 -5.291 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.275 -8.893 -2.838 1.00 0.00 H new ATOM 833 N ILE A 53 -1.637 -6.243 -0.547 1.00 0.00 N ATOM 834 CA ILE A 53 -0.226 -5.845 -0.736 1.00 0.00 C ATOM 835 C ILE A 53 0.668 -6.693 0.212 1.00 0.00 C ATOM 836 O ILE A 53 0.191 -7.443 1.056 1.00 0.00 O ATOM 837 CB ILE A 53 -0.009 -4.285 -0.666 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.124 -3.809 0.281 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.270 -3.418 -0.470 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.167 -2.316 0.534 1.00 0.00 C ATOM 0 H ILE A 53 -1.941 -6.254 0.427 1.00 0.00 H new ATOM 0 HA ILE A 53 0.089 -6.073 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 53 0.323 -4.107 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.016 -4.321 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.081 -4.118 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.987 -2.366 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.958 -3.584 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.757 -3.691 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.993 -2.085 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.311 -1.791 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.229 -1.997 0.988 1.00 0.00 H new ATOM 852 N GLU A 54 1.986 -6.497 0.013 1.00 0.00 N ATOM 853 CA GLU A 54 3.010 -7.150 0.806 1.00 0.00 C ATOM 854 C GLU A 54 3.922 -5.992 1.237 1.00 0.00 C ATOM 855 O GLU A 54 4.429 -5.219 0.434 1.00 0.00 O ATOM 856 CB GLU A 54 3.798 -8.138 -0.061 1.00 0.00 C ATOM 857 CG GLU A 54 5.004 -8.751 0.660 1.00 0.00 C ATOM 858 CD GLU A 54 5.695 -9.734 -0.289 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.193 -10.847 -0.441 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.716 -9.368 -0.871 1.00 0.00 O ATOM 0 H GLU A 54 2.357 -5.877 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 54 2.604 -7.715 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.132 -8.938 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.142 -7.627 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.699 -7.969 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.682 -9.264 1.566 1.00 0.00 H new ATOM 867 N MET A 55 4.021 -5.866 2.572 1.00 0.00 N ATOM 868 CA MET A 55 4.843 -4.816 3.178 1.00 0.00 C ATOM 869 C MET A 55 6.292 -5.252 3.356 1.00 0.00 C ATOM 870 O MET A 55 6.610 -6.432 3.391 1.00 0.00 O ATOM 871 CB MET A 55 4.291 -4.206 4.453 1.00 0.00 C ATOM 872 CG MET A 55 3.594 -5.243 5.236 1.00 0.00 C ATOM 873 SD MET A 55 3.367 -4.737 6.993 1.00 0.00 S ATOM 874 CE MET A 55 3.117 -6.356 7.751 1.00 0.00 C ATOM 0 H MET A 55 3.546 -6.472 3.241 1.00 0.00 H new ATOM 0 HA MET A 55 4.808 -4.008 2.447 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.100 -3.774 5.042 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.604 -3.395 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.621 -5.445 4.787 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.162 -6.172 5.196 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.963 -6.236 8.823 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.242 -6.833 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.995 -6.978 7.578 1.00 0.00 H new ATOM 884 N LYS A 56 7.133 -4.207 3.510 1.00 0.00 N ATOM 885 CA LYS A 56 8.545 -4.450 3.740 1.00 0.00 C ATOM 886 C LYS A 56 9.162 -3.245 4.494 1.00 0.00 C ATOM 887 O LYS A 56 9.780 -2.369 3.898 1.00 0.00 O ATOM 888 CB LYS A 56 9.233 -4.672 2.390 1.00 0.00 C ATOM 889 CG LYS A 56 9.016 -6.083 1.821 1.00 0.00 C ATOM 890 CD LYS A 56 10.181 -6.540 0.936 1.00 0.00 C ATOM 891 CE LYS A 56 10.361 -8.063 0.905 1.00 0.00 C ATOM 892 NZ LYS A 56 9.791 -8.686 -0.286 1.00 0.00 N ATOM 0 H LYS A 56 6.858 -3.225 3.479 1.00 0.00 H new ATOM 0 HA LYS A 56 8.685 -5.339 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.860 -3.938 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.302 -4.493 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.889 -6.788 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.094 -6.100 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.019 -6.180 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.102 -6.080 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.424 -8.298 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.896 -8.495 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.207 -9.630 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.761 -8.775 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.998 -8.098 -1.118 1.00 0.00 H new ATOM 906 N PRO A 57 8.959 -3.228 5.846 1.00 0.00 N ATOM 907 CA PRO A 57 9.502 -2.157 6.676 1.00 0.00 C ATOM 908 C PRO A 57 10.918 -2.509 7.153 1.00 0.00 C ATOM 909 O PRO A 57 11.127 -2.982 8.264 1.00 0.00 O ATOM 910 CB PRO A 57 8.541 -2.096 7.876 1.00 0.00 C ATOM 911 CG PRO A 57 7.689 -3.372 7.838 1.00 0.00 C ATOM 912 CD PRO A 57 8.089 -4.142 6.579 1.00 0.00 C ATOM 0 HA PRO A 57 9.578 -1.210 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.097 -2.032 8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.909 -1.209 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.860 -3.976 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.627 -3.126 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.608 -5.067 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.215 -4.416 5.988 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -7.742 -15.014 -9.487 1.00 0.00 C HETATM 922 O ACE B 0 -8.252 -14.653 -10.537 1.00 0.00 O HETATM 923 CH3 ACE B 0 -6.232 -14.938 -9.248 1.00 0.00 C HETATM 0 H1 ACE B 0 -6.031 -14.293 -8.392 1.00 0.00 H new HETATM 0 H2 ACE B 0 -5.844 -15.937 -9.048 1.00 0.00 H new HETATM 0 H3 ACE B 0 -5.744 -14.530 -10.133 1.00 0.00 H new ATOM 927 N VAL B 1 -8.421 -15.448 -8.411 1.00 0.00 N ATOM 928 CA VAL B 1 -9.396 -14.602 -7.740 1.00 0.00 C ATOM 929 C VAL B 1 -8.714 -13.947 -6.526 1.00 0.00 C ATOM 930 O VAL B 1 -8.168 -14.631 -5.666 1.00 0.00 O ATOM 931 CB VAL B 1 -10.591 -15.436 -7.253 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.162 -16.621 -6.370 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.624 -14.538 -6.550 1.00 0.00 C ATOM 0 H VAL B 1 -8.307 -16.374 -7.998 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.759 -13.847 -8.437 1.00 0.00 H new ATOM 0 HB VAL B 1 -11.065 -15.874 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.044 -17.177 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.504 -17.278 -6.938 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -9.634 -16.248 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.464 -15.145 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.159 -14.051 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.982 -13.780 -7.247 1.00 0.00 H new ATOM 943 N PRO B 2 -8.665 -12.597 -6.514 1.00 0.00 N ATOM 944 CA PRO B 2 -8.099 -11.956 -5.367 1.00 0.00 C ATOM 945 C PRO B 2 -8.956 -12.047 -4.064 1.00 0.00 C ATOM 946 O PRO B 2 -10.176 -12.159 -4.111 1.00 0.00 O ATOM 947 CB PRO B 2 -7.720 -10.608 -5.859 1.00 0.00 C ATOM 948 CG PRO B 2 -8.041 -10.417 -7.307 1.00 0.00 C ATOM 949 CD PRO B 2 -8.693 -11.729 -7.706 1.00 0.00 C ATOM 0 HA PRO B 2 -7.218 -12.470 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.240 -9.851 -5.272 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.652 -10.455 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.713 -9.573 -7.460 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.144 -10.221 -7.894 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.717 -11.566 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.156 -12.192 -8.534 1.00 0.00 H new ATOM 957 N PRO B 3 -8.230 -12.009 -2.905 1.00 0.00 N ATOM 958 CA PRO B 3 -8.841 -12.093 -1.572 1.00 0.00 C ATOM 959 C PRO B 3 -10.081 -11.215 -1.328 1.00 0.00 C ATOM 960 O PRO B 3 -10.248 -10.168 -1.924 1.00 0.00 O ATOM 961 CB PRO B 3 -7.720 -11.598 -0.640 1.00 0.00 C ATOM 962 CG PRO B 3 -6.401 -11.835 -1.371 1.00 0.00 C ATOM 963 CD PRO B 3 -6.762 -11.893 -2.857 1.00 0.00 C ATOM 0 HA PRO B 3 -9.203 -13.109 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.849 -10.541 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.739 -12.137 0.307 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.691 -11.032 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.933 -12.763 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.423 -10.998 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.286 -12.744 -3.343 1.00 0.00 H new ATOM 971 N PRO B 4 -10.926 -11.651 -0.347 1.00 0.00 N ATOM 972 CA PRO B 4 -12.123 -10.883 0.010 1.00 0.00 C ATOM 973 C PRO B 4 -11.636 -9.691 0.840 1.00 0.00 C ATOM 974 O PRO B 4 -11.301 -9.825 2.011 1.00 0.00 O ATOM 975 CB PRO B 4 -12.886 -11.822 0.966 1.00 0.00 C ATOM 976 CG PRO B 4 -11.825 -12.775 1.538 1.00 0.00 C ATOM 977 CD PRO B 4 -10.678 -12.797 0.519 1.00 0.00 C ATOM 0 HA PRO B 4 -12.717 -10.554 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.377 -11.259 1.760 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.664 -12.373 0.437 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.475 -12.430 2.511 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.236 -13.774 1.683 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.709 -12.717 1.012 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.671 -13.727 -0.049 1.00 0.00 H new ATOM 985 N VAL B 5 -11.666 -8.525 0.172 1.00 0.00 N ATOM 986 CA VAL B 5 -11.217 -7.285 0.791 1.00 0.00 C ATOM 987 C VAL B 5 -11.890 -7.091 2.184 1.00 0.00 C ATOM 988 O VAL B 5 -13.010 -7.549 2.388 1.00 0.00 O ATOM 989 CB VAL B 5 -11.484 -6.120 -0.143 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.685 -4.910 0.317 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.152 -6.312 -1.625 1.00 0.00 C ATOM 0 H VAL B 5 -11.995 -8.424 -0.788 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.142 -7.333 0.964 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.566 -6.004 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.876 -4.072 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.984 -4.640 1.330 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.622 -5.150 0.304 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.393 -5.401 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.090 -6.531 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -11.736 -7.141 -2.024 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.157 -6.476 3.158 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.721 -6.234 4.480 1.00 0.00 C ATOM 1003 C PRO B 6 -12.870 -5.224 4.487 1.00 0.00 C ATOM 1004 O PRO B 6 -12.970 -4.357 3.630 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.555 -5.670 5.317 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.283 -6.013 4.556 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.720 -6.229 3.114 1.00 0.00 C ATOM 0 HA PRO B 6 -12.144 -7.161 4.868 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.653 -4.592 5.445 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.543 -6.110 6.314 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.553 -5.207 4.629 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.812 -6.908 4.962 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.494 -5.355 2.503 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.193 -7.073 2.670 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.735 -5.343 5.524 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.816 -4.382 5.662 1.00 0.00 C ATOM 1017 C PRO B 7 -14.170 -3.080 6.143 1.00 0.00 C ATOM 1018 O PRO B 7 -13.715 -2.994 7.277 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.706 -4.951 6.779 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.920 -6.101 7.435 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.711 -6.388 6.539 1.00 0.00 C ATOM 0 HA PRO B 7 -15.383 -4.207 4.748 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.946 -4.180 7.512 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.651 -5.311 6.374 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.598 -5.824 8.439 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.546 -6.988 7.534 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.783 -6.362 7.109 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.781 -7.378 6.088 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.155 -2.078 5.242 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.538 -0.831 5.661 1.00 0.00 C ATOM 1031 C ARG B 8 -14.560 -0.130 6.572 1.00 0.00 C ATOM 1032 O ARG B 8 -15.493 0.537 6.143 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.134 0.034 4.474 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.151 1.146 4.859 1.00 0.00 C ATOM 1035 CD ARG B 8 -12.702 2.535 4.558 1.00 0.00 C ATOM 1036 NE ARG B 8 -13.952 2.727 5.285 1.00 0.00 N ATOM 1037 CZ ARG B 8 -14.411 3.918 5.695 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -13.626 4.986 5.765 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -15.680 4.021 6.057 1.00 0.00 N ATOM 0 H ARG B 8 -14.534 -2.108 4.295 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.608 -1.018 6.198 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.682 -0.596 3.708 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.026 0.480 4.034 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.920 1.072 5.922 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.215 1.004 4.319 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.978 3.296 4.849 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -12.870 2.648 3.487 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.513 1.902 5.495 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -12.643 4.914 5.503 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -14.006 5.878 6.081 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.289 3.203 6.021 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.049 4.918 6.372 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.327 -0.407 7.856 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.083 0.059 8.970 1.00 0.00 C ATOM 1055 C ARG B 9 -14.137 0.378 10.118 1.00 0.00 C ATOM 1056 O ARG B 9 -13.802 1.506 10.449 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.242 -0.915 9.241 1.00 0.00 C ATOM 1058 CG ARG B 9 -16.774 -0.862 10.670 1.00 0.00 C ATOM 1059 CD ARG B 9 -18.167 -1.482 10.785 1.00 0.00 C ATOM 1060 NE ARG B 9 -19.196 -0.467 10.962 1.00 0.00 N ATOM 1061 CZ ARG B 9 -20.466 -0.793 11.288 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -20.794 -1.995 11.760 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -21.419 0.119 11.140 1.00 0.00 N ATOM 0 H ARG B 9 -13.550 -1.003 8.140 1.00 0.00 H new ATOM 0 HA ARG B 9 -15.587 1.007 8.782 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -17.057 -0.695 8.552 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -15.908 -1.930 9.026 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -16.087 -1.388 11.333 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -16.809 0.174 11.006 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -18.381 -2.065 9.889 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.189 -2.173 11.627 1.00 0.00 H new ATOM 0 HE ARG B 9 -18.952 0.515 10.837 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -20.075 -2.707 11.886 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -21.764 -2.203 11.995 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -21.186 1.047 10.786 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -22.384 -0.108 11.381 1.00 0.00 H new ATOM 1077 N ARG B 10 -13.777 -0.752 10.682 1.00 0.00 N ATOM 1078 CA ARG B 10 -12.890 -0.860 11.804 1.00 0.00 C ATOM 1079 C ARG B 10 -12.602 -2.350 12.088 1.00 0.00 C ATOM 1080 O ARG B 10 -13.356 -3.030 12.772 1.00 0.00 O ATOM 1081 CB ARG B 10 -13.589 -0.149 12.967 1.00 0.00 C ATOM 1082 CG ARG B 10 -12.916 -0.441 14.286 1.00 0.00 C ATOM 1083 CD ARG B 10 -11.415 -0.163 14.200 1.00 0.00 C ATOM 1084 NE ARG B 10 -10.921 0.512 15.393 1.00 0.00 N ATOM 1085 CZ ARG B 10 -11.204 1.811 15.644 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -12.232 2.433 15.074 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -10.456 2.474 16.514 1.00 0.00 N ATOM 0 H ARG B 10 -14.112 -1.657 10.352 1.00 0.00 H new ATOM 0 HA ARG B 10 -11.920 -0.395 11.628 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.589 0.926 12.789 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.631 -0.465 13.013 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.360 0.172 15.070 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -13.083 -1.482 14.562 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.878 -1.102 14.065 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -11.209 0.451 13.323 1.00 0.00 H new ATOM 0 HE ARG B 10 -10.347 -0.008 16.056 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -12.836 1.930 14.425 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -12.416 3.414 15.286 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -9.681 2.004 16.982 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -10.655 3.454 16.715 1.00 0.00 H new HETATM 1101 N NH2 B 11 -11.527 -2.832 11.445 1.00 0.00 N TER 1104 NH2 B 11