USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 Single : A 1 MET CE :methyl -164:sc= -0.0584 (180deg=-0.397) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.154 (180deg=-0.00181) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.951) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 14 THR OG1 : rot -100:sc= 0.0185 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.962) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.02) USER MOD Single : A 25 THR OG1 : rot -43:sc= 1.22 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-7.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.15) USER MOD Single : A 44 GLN : amide:sc= -0.911 K(o=-0.91,f=-0.28) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.045 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.7! K(o=-4.7!,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.358 12.684 2.900 1.00 0.00 N ATOM 2 CA MET A 1 13.267 11.805 3.382 1.00 0.00 C ATOM 3 C MET A 1 12.236 11.611 2.281 1.00 0.00 C ATOM 4 O MET A 1 12.449 12.055 1.155 1.00 0.00 O ATOM 5 CB MET A 1 12.605 12.393 4.632 1.00 0.00 C ATOM 6 CG MET A 1 13.491 12.347 5.868 1.00 0.00 C ATOM 7 SD MET A 1 12.657 12.939 7.353 1.00 0.00 S ATOM 8 CE MET A 1 12.352 14.650 6.921 1.00 0.00 C ATOM 0 H1 MET A 1 15.272 12.202 3.023 1.00 0.00 H new ATOM 0 H2 MET A 1 14.212 12.898 1.893 1.00 0.00 H new ATOM 0 H3 MET A 1 14.357 13.569 3.446 1.00 0.00 H new ATOM 0 HA MET A 1 13.693 10.837 3.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.326 13.428 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.683 11.848 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.827 11.323 6.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.382 12.950 5.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.108 15.214 7.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.244 15.073 6.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.519 14.705 6.221 1.00 0.00 H new ATOM 18 N ASN A 2 11.129 10.946 2.612 1.00 0.00 N ATOM 19 CA ASN A 2 10.067 10.655 1.645 1.00 0.00 C ATOM 20 C ASN A 2 10.592 9.749 0.540 1.00 0.00 C ATOM 21 O ASN A 2 11.046 10.215 -0.503 1.00 0.00 O ATOM 22 CB ASN A 2 9.475 11.936 1.035 1.00 0.00 C ATOM 23 CG ASN A 2 8.710 12.775 2.041 1.00 0.00 C ATOM 24 OD1 ASN A 2 8.132 12.255 2.998 1.00 0.00 O ATOM 25 ND2 ASN A 2 8.696 14.081 1.830 1.00 0.00 N ATOM 0 H ASN A 2 10.942 10.595 3.551 1.00 0.00 H new ATOM 0 HA ASN A 2 9.269 10.146 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.280 12.534 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 2 8.810 11.667 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.195 14.696 2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.187 14.473 1.026 1.00 0.00 H new ATOM 32 N SER A 3 10.544 8.453 0.785 1.00 0.00 N ATOM 33 CA SER A 3 11.090 7.483 -0.149 1.00 0.00 C ATOM 34 C SER A 3 9.998 6.929 -1.055 1.00 0.00 C ATOM 35 O SER A 3 10.279 6.246 -2.042 1.00 0.00 O ATOM 36 CB SER A 3 11.764 6.351 0.622 1.00 0.00 C ATOM 37 OG SER A 3 12.680 6.871 1.571 1.00 0.00 O ATOM 0 H SER A 3 10.132 8.046 1.624 1.00 0.00 H new ATOM 0 HA SER A 3 11.829 7.980 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.010 5.749 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.285 5.691 -0.071 1.00 0.00 H new ATOM 0 HG SER A 3 13.102 6.132 2.057 1.00 0.00 H new ATOM 43 N ASP A 4 8.754 7.240 -0.726 1.00 0.00 N ATOM 44 CA ASP A 4 7.620 6.743 -1.490 1.00 0.00 C ATOM 45 C ASP A 4 7.056 7.835 -2.393 1.00 0.00 C ATOM 46 O ASP A 4 7.000 9.002 -2.005 1.00 0.00 O ATOM 47 CB ASP A 4 6.529 6.231 -0.552 1.00 0.00 C ATOM 48 CG ASP A 4 5.382 5.600 -1.308 1.00 0.00 C ATOM 49 OD1 ASP A 4 4.451 6.328 -1.700 1.00 0.00 O ATOM 50 OD2 ASP A 4 5.418 4.375 -1.524 1.00 0.00 O ATOM 0 H ASP A 4 8.504 7.834 0.065 1.00 0.00 H new ATOM 0 HA ASP A 4 7.967 5.919 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.955 5.501 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.154 7.057 0.053 1.00 0.00 H new ATOM 55 N VAL A 5 6.657 7.450 -3.600 1.00 0.00 N ATOM 56 CA VAL A 5 6.046 8.380 -4.543 1.00 0.00 C ATOM 57 C VAL A 5 4.689 7.861 -5.009 1.00 0.00 C ATOM 58 O VAL A 5 4.037 8.470 -5.858 1.00 0.00 O ATOM 59 CB VAL A 5 6.942 8.623 -5.779 1.00 0.00 C ATOM 60 CG1 VAL A 5 8.222 9.349 -5.388 1.00 0.00 C ATOM 61 CG2 VAL A 5 7.263 7.310 -6.481 1.00 0.00 C ATOM 0 H VAL A 5 6.746 6.496 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 5 5.920 9.325 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 5 6.391 9.256 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.835 9.508 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.972 10.312 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.776 8.748 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.894 7.506 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.787 6.648 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.337 6.836 -6.806 1.00 0.00 H new ATOM 71 N ILE A 6 4.262 6.748 -4.419 1.00 0.00 N ATOM 72 CA ILE A 6 3.039 6.070 -4.832 1.00 0.00 C ATOM 73 C ILE A 6 1.852 6.606 -4.037 1.00 0.00 C ATOM 74 O ILE A 6 0.710 6.573 -4.498 1.00 0.00 O ATOM 75 CB ILE A 6 3.154 4.543 -4.624 1.00 0.00 C ATOM 76 CG1 ILE A 6 4.451 4.020 -5.253 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.950 3.830 -5.227 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.697 2.546 -5.013 1.00 0.00 C ATOM 0 H ILE A 6 4.750 6.294 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 6 2.886 6.264 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 6 3.175 4.339 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.422 4.204 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.292 4.588 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.048 2.756 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.039 4.185 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.901 4.039 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.633 2.251 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.759 2.357 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.877 1.967 -5.436 1.00 0.00 H new ATOM 90 N LYS A 7 2.145 7.096 -2.837 1.00 0.00 N ATOM 91 CA LYS A 7 1.155 7.753 -1.988 1.00 0.00 C ATOM 92 C LYS A 7 0.490 8.907 -2.741 1.00 0.00 C ATOM 93 O LYS A 7 -0.685 9.222 -2.524 1.00 0.00 O ATOM 94 CB LYS A 7 1.843 8.268 -0.718 1.00 0.00 C ATOM 95 CG LYS A 7 0.904 8.874 0.312 1.00 0.00 C ATOM 96 CD LYS A 7 1.687 9.503 1.451 1.00 0.00 C ATOM 97 CE LYS A 7 0.772 10.049 2.535 1.00 0.00 C ATOM 98 NZ LYS A 7 0.062 8.971 3.274 1.00 0.00 N ATOM 0 H LYS A 7 3.077 7.049 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 7 0.381 7.037 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.385 7.443 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.583 9.017 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.274 9.627 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.240 8.103 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.359 8.761 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.310 10.309 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.358 10.642 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.040 10.720 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.091 9.268 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.856 8.787 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.636 8.104 3.259 1.00 0.00 H new ATOM 112 N GLY A 8 1.256 9.527 -3.631 1.00 0.00 N ATOM 113 CA GLY A 8 0.732 10.591 -4.461 1.00 0.00 C ATOM 114 C GLY A 8 0.173 10.053 -5.762 1.00 0.00 C ATOM 115 O GLY A 8 0.766 9.163 -6.373 1.00 0.00 O ATOM 0 H GLY A 8 2.239 9.308 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.050 11.125 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.522 11.312 -4.673 1.00 0.00 H new ATOM 119 N LYS A 9 -0.972 10.597 -6.178 1.00 0.00 N ATOM 120 CA LYS A 9 -1.686 10.129 -7.367 1.00 0.00 C ATOM 121 C LYS A 9 -2.187 8.704 -7.168 1.00 0.00 C ATOM 122 O LYS A 9 -2.498 8.012 -8.131 1.00 0.00 O ATOM 123 CB LYS A 9 -0.804 10.203 -8.624 1.00 0.00 C ATOM 124 CG LYS A 9 -0.485 11.616 -9.081 1.00 0.00 C ATOM 125 CD LYS A 9 0.329 11.605 -10.368 1.00 0.00 C ATOM 126 CE LYS A 9 0.596 13.013 -10.878 1.00 0.00 C ATOM 127 NZ LYS A 9 1.379 13.002 -12.143 1.00 0.00 N ATOM 0 H LYS A 9 -1.430 11.373 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.540 10.790 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.131 9.677 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.304 9.675 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.411 12.169 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.069 12.138 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.277 11.095 -10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.204 11.037 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.352 13.526 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.138 13.578 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.541 13.979 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.294 12.534 -11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.850 12.485 -12.874 1.00 0.00 H new ATOM 141 N TRP A 10 -2.297 8.290 -5.911 1.00 0.00 N ATOM 142 CA TRP A 10 -2.714 6.932 -5.569 1.00 0.00 C ATOM 143 C TRP A 10 -4.076 6.589 -6.178 1.00 0.00 C ATOM 144 O TRP A 10 -4.270 5.496 -6.705 1.00 0.00 O ATOM 145 CB TRP A 10 -2.741 6.779 -4.044 1.00 0.00 C ATOM 146 CG TRP A 10 -3.317 5.481 -3.566 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.504 5.313 -2.914 1.00 0.00 C ATOM 148 CD2 TRP A 10 -2.743 4.173 -3.694 1.00 0.00 C ATOM 149 NE1 TRP A 10 -4.701 3.989 -2.629 1.00 0.00 N ATOM 150 CE2 TRP A 10 -3.638 3.268 -3.095 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.565 3.676 -4.255 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.395 1.899 -3.039 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.323 2.314 -4.198 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.235 1.441 -3.594 1.00 0.00 C ATOM 0 H TRP A 10 -2.101 8.881 -5.103 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.993 6.230 -5.990 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.724 6.875 -3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.320 7.599 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.188 6.109 -2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.512 3.602 -2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.856 4.342 -4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.098 1.224 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.414 1.918 -4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.017 0.384 -3.566 1.00 0.00 H new ATOM 165 N LYS A 11 -5.004 7.538 -6.130 1.00 0.00 N ATOM 166 CA LYS A 11 -6.344 7.331 -6.683 1.00 0.00 C ATOM 167 C LYS A 11 -6.334 7.388 -8.209 1.00 0.00 C ATOM 168 O LYS A 11 -7.336 7.097 -8.859 1.00 0.00 O ATOM 169 CB LYS A 11 -7.318 8.372 -6.121 1.00 0.00 C ATOM 170 CG LYS A 11 -8.098 7.896 -4.902 1.00 0.00 C ATOM 171 CD LYS A 11 -7.187 7.291 -3.847 1.00 0.00 C ATOM 172 CE LYS A 11 -7.973 6.796 -2.643 1.00 0.00 C ATOM 173 NZ LYS A 11 -8.508 7.917 -1.828 1.00 0.00 N ATOM 0 H LYS A 11 -4.857 8.458 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.676 6.336 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.760 9.270 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.023 8.655 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.645 8.734 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.838 7.157 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.627 6.463 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.458 8.035 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.797 6.168 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.330 6.171 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.979 7.537 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.727 8.540 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.194 8.459 -2.391 1.00 0.00 H new ATOM 187 N GLN A 12 -5.197 7.774 -8.768 1.00 0.00 N ATOM 188 CA GLN A 12 -5.019 7.813 -10.212 1.00 0.00 C ATOM 189 C GLN A 12 -4.283 6.559 -10.685 1.00 0.00 C ATOM 190 O GLN A 12 -4.572 6.013 -11.754 1.00 0.00 O ATOM 191 CB GLN A 12 -4.224 9.064 -10.602 1.00 0.00 C ATOM 192 CG GLN A 12 -3.912 9.166 -12.086 1.00 0.00 C ATOM 193 CD GLN A 12 -3.033 10.355 -12.414 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.076 11.384 -11.739 1.00 0.00 O ATOM 195 NE2 GLN A 12 -2.216 10.218 -13.441 1.00 0.00 N ATOM 0 H GLN A 12 -4.377 8.067 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.998 7.847 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.786 9.947 -10.299 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.288 9.075 -10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.418 8.252 -12.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.844 9.242 -12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.210 9.349 -13.976 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.590 10.981 -13.700 1.00 0.00 H new ATOM 204 N LEU A 13 -3.349 6.099 -9.863 1.00 0.00 N ATOM 205 CA LEU A 13 -2.484 4.979 -10.209 1.00 0.00 C ATOM 206 C LEU A 13 -3.216 3.645 -10.092 1.00 0.00 C ATOM 207 O LEU A 13 -2.690 2.610 -10.502 1.00 0.00 O ATOM 208 CB LEU A 13 -1.245 4.977 -9.305 1.00 0.00 C ATOM 209 CG LEU A 13 -0.414 6.262 -9.343 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.732 6.194 -8.344 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.110 6.523 -10.747 1.00 0.00 C ATOM 0 H LEU A 13 -3.170 6.491 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.179 5.102 -11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.564 4.798 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.607 4.141 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.061 7.093 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.309 7.118 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.331 6.065 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.378 5.351 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.698 7.441 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.737 5.689 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.729 6.626 -11.435 1.00 0.00 H new ATOM 223 N THR A 14 -4.422 3.676 -9.530 1.00 0.00 N ATOM 224 CA THR A 14 -5.257 2.490 -9.412 1.00 0.00 C ATOM 225 C THR A 14 -5.441 1.798 -10.764 1.00 0.00 C ATOM 226 O THR A 14 -5.445 0.568 -10.846 1.00 0.00 O ATOM 227 CB THR A 14 -6.636 2.859 -8.837 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.165 3.988 -9.543 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.539 3.182 -7.354 1.00 0.00 C ATOM 0 H THR A 14 -4.844 4.522 -9.146 1.00 0.00 H new ATOM 0 HA THR A 14 -4.751 1.801 -8.736 1.00 0.00 H new ATOM 0 HB THR A 14 -7.300 2.004 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.022 4.801 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.527 3.439 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.157 2.314 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.863 4.025 -7.209 1.00 0.00 H new ATOM 237 N GLY A 15 -5.581 2.601 -11.818 1.00 0.00 N ATOM 238 CA GLY A 15 -5.721 2.062 -13.161 1.00 0.00 C ATOM 239 C GLY A 15 -4.499 1.271 -13.590 1.00 0.00 C ATOM 240 O GLY A 15 -4.622 0.191 -14.170 1.00 0.00 O ATOM 0 H GLY A 15 -5.600 3.619 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.601 1.420 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.888 2.879 -13.863 1.00 0.00 H new ATOM 244 N LYS A 16 -3.322 1.806 -13.285 1.00 0.00 N ATOM 245 CA LYS A 16 -2.064 1.132 -13.590 1.00 0.00 C ATOM 246 C LYS A 16 -1.949 -0.172 -12.806 1.00 0.00 C ATOM 247 O LYS A 16 -1.535 -1.199 -13.344 1.00 0.00 O ATOM 248 CB LYS A 16 -0.874 2.034 -13.251 1.00 0.00 C ATOM 249 CG LYS A 16 -0.629 3.169 -14.234 1.00 0.00 C ATOM 250 CD LYS A 16 0.484 4.085 -13.743 1.00 0.00 C ATOM 251 CE LYS A 16 0.930 5.070 -14.813 1.00 0.00 C ATOM 252 NZ LYS A 16 1.783 4.429 -15.850 1.00 0.00 N ATOM 0 H LYS A 16 -3.212 2.709 -12.824 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.053 0.910 -14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.030 2.459 -12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.025 1.420 -13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.365 2.760 -15.209 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.546 3.744 -14.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.140 4.634 -12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.336 3.483 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.053 5.509 -15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.481 5.886 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.825 5.040 -16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.743 4.291 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.378 3.507 -16.111 1.00 0.00 H new ATOM 266 N ILE A 17 -2.323 -0.126 -11.533 1.00 0.00 N ATOM 267 CA ILE A 17 -2.208 -1.286 -10.659 1.00 0.00 C ATOM 268 C ILE A 17 -3.134 -2.412 -11.111 1.00 0.00 C ATOM 269 O ILE A 17 -2.696 -3.551 -11.277 1.00 0.00 O ATOM 270 CB ILE A 17 -2.522 -0.937 -9.193 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.635 0.211 -8.715 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.314 -2.164 -8.322 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.973 0.706 -7.326 1.00 0.00 C ATOM 0 H ILE A 17 -2.709 0.704 -11.083 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.172 -1.618 -10.725 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.562 -0.618 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.595 -0.115 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.720 1.040 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.537 -1.916 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.977 -2.963 -8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.279 -2.495 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.301 1.521 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.002 1.064 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.859 -0.109 -6.612 1.00 0.00 H new ATOM 285 N LYS A 18 -4.405 -2.083 -11.325 1.00 0.00 N ATOM 286 CA LYS A 18 -5.397 -3.071 -11.742 1.00 0.00 C ATOM 287 C LYS A 18 -5.052 -3.626 -13.125 1.00 0.00 C ATOM 288 O LYS A 18 -5.441 -4.741 -13.477 1.00 0.00 O ATOM 289 CB LYS A 18 -6.805 -2.453 -11.744 1.00 0.00 C ATOM 290 CG LYS A 18 -7.906 -3.424 -12.160 1.00 0.00 C ATOM 291 CD LYS A 18 -9.283 -2.765 -12.171 1.00 0.00 C ATOM 292 CE LYS A 18 -9.776 -2.452 -10.765 1.00 0.00 C ATOM 293 NZ LYS A 18 -11.125 -1.820 -10.775 1.00 0.00 N ATOM 0 H LYS A 18 -4.773 -1.138 -11.216 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.384 -3.895 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.026 -2.074 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.815 -1.597 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.685 -3.817 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.917 -4.273 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.240 -1.845 -12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.996 -3.423 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.810 -3.371 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.067 -1.786 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.481 -1.747 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.060 -0.869 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.777 -2.402 -11.339 1.00 0.00 H new ATOM 307 N GLU A 19 -4.317 -2.840 -13.904 1.00 0.00 N ATOM 308 CA GLU A 19 -3.888 -3.264 -15.228 1.00 0.00 C ATOM 309 C GLU A 19 -2.816 -4.343 -15.118 1.00 0.00 C ATOM 310 O GLU A 19 -2.775 -5.280 -15.917 1.00 0.00 O ATOM 311 CB GLU A 19 -3.353 -2.071 -16.021 1.00 0.00 C ATOM 312 CG GLU A 19 -3.127 -2.371 -17.493 1.00 0.00 C ATOM 313 CD GLU A 19 -4.414 -2.723 -18.210 1.00 0.00 C ATOM 314 OE1 GLU A 19 -5.140 -1.793 -18.624 1.00 0.00 O ATOM 315 OE2 GLU A 19 -4.712 -3.923 -18.356 1.00 0.00 O ATOM 0 H GLU A 19 -4.007 -1.905 -13.639 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.748 -3.677 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.055 -1.242 -15.931 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.413 -1.743 -15.577 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.671 -1.505 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.422 -3.197 -17.590 1.00 0.00 H new ATOM 322 N ARG A 20 -1.950 -4.215 -14.122 1.00 0.00 N ATOM 323 CA ARG A 20 -0.898 -5.194 -13.924 1.00 0.00 C ATOM 324 C ARG A 20 -1.427 -6.395 -13.154 1.00 0.00 C ATOM 325 O ARG A 20 -1.364 -7.530 -13.629 1.00 0.00 O ATOM 326 CB ARG A 20 0.297 -4.598 -13.177 1.00 0.00 C ATOM 327 CG ARG A 20 1.546 -5.450 -13.336 1.00 0.00 C ATOM 328 CD ARG A 20 2.767 -4.837 -12.675 1.00 0.00 C ATOM 329 NE ARG A 20 3.932 -5.709 -12.826 1.00 0.00 N ATOM 330 CZ ARG A 20 5.004 -5.682 -12.037 1.00 0.00 C ATOM 331 NH1 ARG A 20 5.120 -4.756 -11.095 1.00 0.00 N ATOM 332 NH2 ARG A 20 5.971 -6.572 -12.211 1.00 0.00 N ATOM 0 H ARG A 20 -1.957 -3.450 -13.447 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.562 -5.511 -14.911 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.493 -3.593 -13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.054 -4.504 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.364 -6.436 -12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.748 -5.595 -14.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.976 -3.863 -13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.567 -4.669 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 20 3.922 -6.385 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.385 -4.059 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.944 -4.741 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.892 -7.274 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.794 -6.555 -11.609 1.00 0.00 H new ATOM 346 N TRP A 21 -1.957 -6.136 -11.970 1.00 0.00 N ATOM 347 CA TRP A 21 -2.444 -7.195 -11.109 1.00 0.00 C ATOM 348 C TRP A 21 -3.964 -7.187 -11.077 1.00 0.00 C ATOM 349 O TRP A 21 -4.578 -6.396 -10.362 1.00 0.00 O ATOM 350 CB TRP A 21 -1.880 -7.033 -9.697 1.00 0.00 C ATOM 351 CG TRP A 21 -0.382 -6.990 -9.659 1.00 0.00 C ATOM 352 CD1 TRP A 21 0.474 -7.976 -10.055 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.439 -5.912 -9.191 1.00 0.00 C ATOM 354 NE1 TRP A 21 1.774 -7.573 -9.870 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.779 -6.311 -9.336 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.167 -4.647 -8.663 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.844 -5.490 -8.974 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.222 -3.832 -8.303 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.547 -4.256 -8.459 1.00 0.00 C ATOM 0 H TRP A 21 -2.060 -5.197 -11.584 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.109 -8.153 -11.507 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.274 -6.116 -9.259 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.229 -7.859 -9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.173 -8.933 -10.455 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.602 -8.124 -10.094 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.852 -4.312 -8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.867 -5.814 -9.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.022 -2.852 -7.895 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.351 -3.597 -8.167 1.00 0.00 H new ATOM 370 N GLY A 22 -4.562 -8.072 -11.863 1.00 0.00 N ATOM 371 CA GLY A 22 -6.004 -8.108 -11.989 1.00 0.00 C ATOM 372 C GLY A 22 -6.707 -8.602 -10.737 1.00 0.00 C ATOM 373 O GLY A 22 -7.919 -8.438 -10.602 1.00 0.00 O ATOM 0 H GLY A 22 -4.069 -8.770 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.365 -7.108 -12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.272 -8.753 -12.826 1.00 0.00 H new ATOM 377 N ASP A 23 -5.963 -9.210 -9.821 1.00 0.00 N ATOM 378 CA ASP A 23 -6.559 -9.719 -8.589 1.00 0.00 C ATOM 379 C ASP A 23 -6.685 -8.600 -7.557 1.00 0.00 C ATOM 380 O ASP A 23 -7.513 -8.668 -6.648 1.00 0.00 O ATOM 381 CB ASP A 23 -5.744 -10.885 -8.029 1.00 0.00 C ATOM 382 CG ASP A 23 -6.462 -11.618 -6.912 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.661 -11.937 -7.078 1.00 0.00 O ATOM 384 OD2 ASP A 23 -5.829 -11.903 -5.875 1.00 0.00 O ATOM 0 H ASP A 23 -4.958 -9.362 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.558 -10.089 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.521 -11.586 -8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.790 -10.511 -7.658 1.00 0.00 H new ATOM 389 N LEU A 24 -5.873 -7.559 -7.717 1.00 0.00 N ATOM 390 CA LEU A 24 -5.965 -6.381 -6.863 1.00 0.00 C ATOM 391 C LEU A 24 -7.155 -5.538 -7.278 1.00 0.00 C ATOM 392 O LEU A 24 -7.154 -4.913 -8.340 1.00 0.00 O ATOM 393 CB LEU A 24 -4.682 -5.549 -6.922 1.00 0.00 C ATOM 394 CG LEU A 24 -3.476 -6.163 -6.210 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.282 -5.228 -6.296 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.811 -6.460 -4.756 1.00 0.00 C ATOM 0 H LEU A 24 -5.145 -7.508 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.099 -6.715 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.422 -5.385 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.882 -4.570 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.222 -7.101 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.430 -5.677 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.029 -5.057 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.529 -4.278 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.942 -6.897 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.088 -5.535 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.644 -7.162 -4.711 1.00 0.00 H new ATOM 408 N THR A 25 -8.184 -5.554 -6.454 1.00 0.00 N ATOM 409 CA THR A 25 -9.389 -4.804 -6.740 1.00 0.00 C ATOM 410 C THR A 25 -9.178 -3.340 -6.399 1.00 0.00 C ATOM 411 O THR A 25 -8.300 -3.000 -5.601 1.00 0.00 O ATOM 412 CB THR A 25 -10.588 -5.342 -5.936 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.383 -5.124 -4.533 1.00 0.00 O ATOM 414 CG2 THR A 25 -10.792 -6.827 -6.194 1.00 0.00 C ATOM 0 H THR A 25 -8.209 -6.079 -5.580 1.00 0.00 H new ATOM 0 HA THR A 25 -9.606 -4.913 -7.803 1.00 0.00 H new ATOM 0 HB THR A 25 -11.479 -4.804 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.457 -5.346 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.644 -7.183 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.981 -6.989 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.897 -7.374 -5.897 1.00 0.00 H new ATOM 422 N ASP A 26 -9.980 -2.468 -6.987 1.00 0.00 N ATOM 423 CA ASP A 26 -9.887 -1.053 -6.667 1.00 0.00 C ATOM 424 C ASP A 26 -10.469 -0.807 -5.283 1.00 0.00 C ATOM 425 O ASP A 26 -10.269 0.249 -4.702 1.00 0.00 O ATOM 426 CB ASP A 26 -10.585 -0.180 -7.716 1.00 0.00 C ATOM 427 CG ASP A 26 -12.079 -0.404 -7.787 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.505 -1.333 -8.502 1.00 0.00 O ATOM 429 OD2 ASP A 26 -12.829 0.363 -7.153 1.00 0.00 O ATOM 0 H ASP A 26 -10.692 -2.709 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.834 -0.770 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.393 0.869 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.148 -0.381 -8.694 1.00 0.00 H new ATOM 434 N ASP A 27 -11.166 -1.809 -4.752 1.00 0.00 N ATOM 435 CA ASP A 27 -11.674 -1.754 -3.386 1.00 0.00 C ATOM 436 C ASP A 27 -10.516 -1.793 -2.403 1.00 0.00 C ATOM 437 O ASP A 27 -10.501 -1.060 -1.416 1.00 0.00 O ATOM 438 CB ASP A 27 -12.618 -2.922 -3.102 1.00 0.00 C ATOM 439 CG ASP A 27 -13.815 -2.946 -4.024 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.820 -2.272 -3.718 1.00 0.00 O ATOM 441 OD2 ASP A 27 -13.757 -3.645 -5.054 1.00 0.00 O ATOM 0 H ASP A 27 -11.392 -2.670 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.228 -0.823 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.070 -3.859 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.962 -2.862 -2.069 1.00 0.00 H new ATOM 446 N ASP A 28 -9.545 -2.661 -2.685 1.00 0.00 N ATOM 447 CA ASP A 28 -8.338 -2.768 -1.865 1.00 0.00 C ATOM 448 C ASP A 28 -7.536 -1.485 -1.953 1.00 0.00 C ATOM 449 O ASP A 28 -6.986 -1.006 -0.966 1.00 0.00 O ATOM 450 CB ASP A 28 -7.452 -3.932 -2.328 1.00 0.00 C ATOM 451 CG ASP A 28 -8.069 -5.292 -2.097 1.00 0.00 C ATOM 452 OD1 ASP A 28 -8.171 -5.712 -0.925 1.00 0.00 O ATOM 453 OD2 ASP A 28 -8.430 -5.960 -3.089 1.00 0.00 O ATOM 0 H ASP A 28 -9.571 -3.302 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.653 -2.948 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.239 -3.815 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.498 -3.882 -1.804 1.00 0.00 H new ATOM 458 N LEU A 29 -7.486 -0.936 -3.151 1.00 0.00 N ATOM 459 CA LEU A 29 -6.695 0.252 -3.423 1.00 0.00 C ATOM 460 C LEU A 29 -7.369 1.506 -2.850 1.00 0.00 C ATOM 461 O LEU A 29 -6.721 2.343 -2.229 1.00 0.00 O ATOM 462 CB LEU A 29 -6.486 0.376 -4.938 1.00 0.00 C ATOM 463 CG LEU A 29 -5.881 -0.870 -5.609 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.859 -0.711 -7.121 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.477 -1.132 -5.086 1.00 0.00 C ATOM 0 H LEU A 29 -7.989 -1.298 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.725 0.160 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.446 0.594 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.835 1.229 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.509 -1.726 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.427 -1.603 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.876 -0.574 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.257 0.158 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.067 -2.017 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.842 -0.272 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.514 -1.295 -4.009 1.00 0.00 H new ATOM 477 N GLN A 30 -8.678 1.606 -3.029 1.00 0.00 N ATOM 478 CA GLN A 30 -9.442 2.770 -2.576 1.00 0.00 C ATOM 479 C GLN A 30 -9.689 2.718 -1.064 1.00 0.00 C ATOM 480 O GLN A 30 -10.222 3.665 -0.481 1.00 0.00 O ATOM 481 CB GLN A 30 -10.776 2.819 -3.334 1.00 0.00 C ATOM 482 CG GLN A 30 -11.657 4.014 -3.010 1.00 0.00 C ATOM 483 CD GLN A 30 -12.975 3.975 -3.757 1.00 0.00 C ATOM 484 OE1 GLN A 30 -13.089 4.504 -4.866 1.00 0.00 O ATOM 485 NE2 GLN A 30 -13.978 3.347 -3.161 1.00 0.00 N ATOM 0 H GLN A 30 -9.242 0.891 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.867 3.672 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.568 2.820 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.333 1.907 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.850 4.040 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.127 4.933 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.841 2.923 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.887 3.287 -3.620 1.00 0.00 H new ATOM 494 N ALA A 31 -9.276 1.617 -0.441 1.00 0.00 N ATOM 495 CA ALA A 31 -9.529 1.367 0.978 1.00 0.00 C ATOM 496 C ALA A 31 -9.171 2.562 1.863 1.00 0.00 C ATOM 497 O ALA A 31 -10.044 3.144 2.511 1.00 0.00 O ATOM 498 CB ALA A 31 -8.763 0.133 1.432 1.00 0.00 C ATOM 0 H ALA A 31 -8.756 0.872 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.601 1.201 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.956 -0.047 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.088 -0.731 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.695 0.291 1.280 1.00 0.00 H new ATOM 504 N ALA A 32 -7.898 2.937 1.885 1.00 0.00 N ATOM 505 CA ALA A 32 -7.450 4.004 2.769 1.00 0.00 C ATOM 506 C ALA A 32 -6.304 4.811 2.162 1.00 0.00 C ATOM 507 O ALA A 32 -6.521 5.855 1.546 1.00 0.00 O ATOM 508 CB ALA A 32 -7.033 3.425 4.113 1.00 0.00 C ATOM 0 H ALA A 32 -7.166 2.523 1.308 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.287 4.687 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.699 4.230 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.882 2.915 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.219 2.715 3.967 1.00 0.00 H new ATOM 514 N ASP A 33 -5.089 4.308 2.332 1.00 0.00 N ATOM 515 CA ASP A 33 -3.890 5.022 1.917 1.00 0.00 C ATOM 516 C ASP A 33 -2.942 4.075 1.197 1.00 0.00 C ATOM 517 O ASP A 33 -2.899 2.884 1.505 1.00 0.00 O ATOM 518 CB ASP A 33 -3.200 5.631 3.143 1.00 0.00 C ATOM 519 CG ASP A 33 -1.936 6.395 2.799 1.00 0.00 C ATOM 520 OD1 ASP A 33 -2.041 7.574 2.399 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.833 5.833 2.961 1.00 0.00 O ATOM 0 H ASP A 33 -4.907 3.399 2.759 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.170 5.823 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.896 6.301 3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.956 4.835 3.847 1.00 0.00 H new ATOM 526 N GLY A 34 -2.190 4.603 0.244 1.00 0.00 N ATOM 527 CA GLY A 34 -1.311 3.771 -0.543 1.00 0.00 C ATOM 528 C GLY A 34 0.138 4.178 -0.423 1.00 0.00 C ATOM 529 O GLY A 34 0.448 5.357 -0.284 1.00 0.00 O ATOM 0 H GLY A 34 -2.174 5.594 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.420 2.733 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.612 3.819 -1.589 1.00 0.00 H new ATOM 533 N HIS A 35 1.014 3.186 -0.456 1.00 0.00 N ATOM 534 CA HIS A 35 2.458 3.393 -0.416 1.00 0.00 C ATOM 535 C HIS A 35 3.142 2.045 -0.589 1.00 0.00 C ATOM 536 O HIS A 35 2.474 1.017 -0.493 1.00 0.00 O ATOM 537 CB HIS A 35 2.910 4.072 0.895 1.00 0.00 C ATOM 538 CG HIS A 35 2.534 3.344 2.154 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.452 2.722 2.971 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.332 3.169 2.753 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.831 2.203 4.014 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.544 2.460 3.906 1.00 0.00 N ATOM 0 H HIS A 35 0.743 2.204 -0.512 1.00 0.00 H new ATOM 0 HA HIS A 35 2.741 4.066 -1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.994 4.188 0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.483 5.074 0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.456 2.670 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.379 3.524 2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.300 1.659 4.821 1.00 0.00 H new ATOM 551 N ALA A 36 4.446 2.058 -0.848 1.00 0.00 N ATOM 552 CA ALA A 36 5.224 0.840 -1.099 1.00 0.00 C ATOM 553 C ALA A 36 4.844 -0.310 -0.163 1.00 0.00 C ATOM 554 O ALA A 36 4.466 -1.390 -0.620 1.00 0.00 O ATOM 555 CB ALA A 36 6.712 1.140 -0.981 1.00 0.00 C ATOM 0 H ALA A 36 4.999 2.914 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 36 4.990 0.515 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.283 0.230 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.989 1.900 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.931 1.505 0.022 1.00 0.00 H new ATOM 561 N GLU A 37 4.921 -0.065 1.140 1.00 0.00 N ATOM 562 CA GLU A 37 4.607 -1.084 2.137 1.00 0.00 C ATOM 563 C GLU A 37 3.163 -1.571 2.015 1.00 0.00 C ATOM 564 O GLU A 37 2.867 -2.731 2.299 1.00 0.00 O ATOM 565 CB GLU A 37 4.852 -0.554 3.554 1.00 0.00 C ATOM 566 CG GLU A 37 6.292 -0.134 3.817 1.00 0.00 C ATOM 567 CD GLU A 37 6.537 1.339 3.552 1.00 0.00 C ATOM 568 OE1 GLU A 37 5.897 1.900 2.638 1.00 0.00 O ATOM 569 OE2 GLU A 37 7.347 1.949 4.284 1.00 0.00 O ATOM 0 H GLU A 37 5.199 0.834 1.533 1.00 0.00 H new ATOM 0 HA GLU A 37 5.270 -1.928 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.197 0.300 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.572 -1.324 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.547 -0.359 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.958 -0.726 3.189 1.00 0.00 H new ATOM 576 N TYR A 38 2.266 -0.691 1.582 1.00 0.00 N ATOM 577 CA TYR A 38 0.860 -1.050 1.453 1.00 0.00 C ATOM 578 C TYR A 38 0.660 -1.923 0.220 1.00 0.00 C ATOM 579 O TYR A 38 -0.140 -2.859 0.235 1.00 0.00 O ATOM 580 CB TYR A 38 -0.023 0.197 1.372 1.00 0.00 C ATOM 581 CG TYR A 38 -1.492 -0.094 1.593 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.008 -0.189 2.879 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.358 -0.283 0.522 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.344 -0.466 3.093 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.697 -0.558 0.728 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.186 -0.649 2.016 1.00 0.00 C ATOM 587 OH TYR A 38 -5.517 -0.929 2.227 1.00 0.00 O ATOM 0 H TYR A 38 2.486 0.269 1.316 1.00 0.00 H new ATOM 0 HA TYR A 38 0.565 -1.610 2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.313 0.920 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.105 0.662 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.354 -0.044 3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.979 -0.214 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.728 -0.539 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.357 -0.701 -0.114 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.971 -1.028 1.364 1.00 0.00 H new ATOM 597 N LEU A 39 1.397 -1.612 -0.847 1.00 0.00 N ATOM 598 CA LEU A 39 1.395 -2.455 -2.036 1.00 0.00 C ATOM 599 C LEU A 39 1.861 -3.854 -1.663 1.00 0.00 C ATOM 600 O LEU A 39 1.192 -4.837 -1.961 1.00 0.00 O ATOM 601 CB LEU A 39 2.296 -1.894 -3.142 1.00 0.00 C ATOM 602 CG LEU A 39 1.656 -0.841 -4.053 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.484 0.478 -3.326 1.00 0.00 C ATOM 604 CD2 LEU A 39 2.488 -0.653 -5.311 1.00 0.00 C ATOM 0 H LEU A 39 1.997 -0.789 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 39 0.376 -2.483 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.180 -1.457 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.638 -2.723 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 39 0.666 -1.197 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.028 1.206 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.843 0.333 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.458 0.844 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.020 0.098 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.491 -0.324 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.550 -1.598 -5.850 1.00 0.00 H new ATOM 616 N VAL A 40 3.004 -3.918 -0.982 1.00 0.00 N ATOM 617 CA VAL A 40 3.561 -5.183 -0.509 1.00 0.00 C ATOM 618 C VAL A 40 2.530 -5.952 0.313 1.00 0.00 C ATOM 619 O VAL A 40 2.331 -7.152 0.113 1.00 0.00 O ATOM 620 CB VAL A 40 4.829 -4.950 0.343 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.365 -6.257 0.910 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.901 -4.252 -0.476 1.00 0.00 C ATOM 0 H VAL A 40 3.566 -3.101 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 40 3.831 -5.770 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 40 4.552 -4.309 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.257 -6.057 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.605 -6.719 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.617 -6.932 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.786 -4.096 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.162 -4.869 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.526 -3.289 -0.821 1.00 0.00 H new ATOM 632 N GLY A 41 1.860 -5.243 1.217 1.00 0.00 N ATOM 633 CA GLY A 41 0.842 -5.856 2.050 1.00 0.00 C ATOM 634 C GLY A 41 -0.271 -6.491 1.238 1.00 0.00 C ATOM 635 O GLY A 41 -0.581 -7.670 1.412 1.00 0.00 O ATOM 0 H GLY A 41 2.006 -4.248 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.303 -6.614 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.418 -5.102 2.714 1.00 0.00 H new ATOM 639 N LYS A 42 -0.854 -5.717 0.331 1.00 0.00 N ATOM 640 CA LYS A 42 -1.950 -6.208 -0.495 1.00 0.00 C ATOM 641 C LYS A 42 -1.480 -7.288 -1.466 1.00 0.00 C ATOM 642 O LYS A 42 -2.247 -8.186 -1.820 1.00 0.00 O ATOM 643 CB LYS A 42 -2.618 -5.059 -1.255 1.00 0.00 C ATOM 644 CG LYS A 42 -3.573 -4.240 -0.397 1.00 0.00 C ATOM 645 CD LYS A 42 -4.716 -5.101 0.121 1.00 0.00 C ATOM 646 CE LYS A 42 -5.722 -4.293 0.926 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.874 -5.128 1.368 1.00 0.00 N ATOM 0 H LYS A 42 -0.587 -4.749 0.149 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.686 -6.656 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.847 -4.401 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.164 -5.465 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.031 -3.805 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.973 -3.411 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.222 -5.575 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.314 -5.901 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.229 -3.863 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.086 -3.461 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.309 -4.701 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.578 -5.181 0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.540 -6.086 1.598 1.00 0.00 H new ATOM 661 N LEU A 43 -0.223 -7.212 -1.887 1.00 0.00 N ATOM 662 CA LEU A 43 0.345 -8.230 -2.763 1.00 0.00 C ATOM 663 C LEU A 43 0.447 -9.564 -2.034 1.00 0.00 C ATOM 664 O LEU A 43 0.220 -10.617 -2.624 1.00 0.00 O ATOM 665 CB LEU A 43 1.724 -7.813 -3.284 1.00 0.00 C ATOM 666 CG LEU A 43 1.736 -6.607 -4.229 1.00 0.00 C ATOM 667 CD1 LEU A 43 3.151 -6.315 -4.699 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.813 -6.845 -5.416 1.00 0.00 C ATOM 0 H LEU A 43 0.420 -6.460 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.323 -8.340 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.363 -7.589 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.169 -8.662 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 43 1.369 -5.738 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.142 -5.456 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.783 -6.097 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.545 -7.183 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.836 -5.977 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.146 -7.726 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.205 -7.003 -5.059 1.00 0.00 H new ATOM 680 N GLN A 44 0.775 -9.517 -0.750 1.00 0.00 N ATOM 681 CA GLN A 44 0.865 -10.728 0.057 1.00 0.00 C ATOM 682 C GLN A 44 -0.525 -11.234 0.434 1.00 0.00 C ATOM 683 O GLN A 44 -0.734 -12.436 0.607 1.00 0.00 O ATOM 684 CB GLN A 44 1.694 -10.479 1.318 1.00 0.00 C ATOM 685 CG GLN A 44 3.165 -10.199 1.039 1.00 0.00 C ATOM 686 CD GLN A 44 3.989 -9.987 2.300 1.00 0.00 C ATOM 687 OE1 GLN A 44 4.965 -9.240 2.295 1.00 0.00 O ATOM 688 NE2 GLN A 44 3.621 -10.652 3.384 1.00 0.00 N ATOM 0 H GLN A 44 0.983 -8.656 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 44 1.362 -11.492 -0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.269 -9.634 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.616 -11.349 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.585 -11.032 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.246 -9.314 0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.806 -11.264 3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.153 -10.552 4.249 1.00 0.00 H new ATOM 697 N GLU A 45 -1.473 -10.315 0.560 1.00 0.00 N ATOM 698 CA GLU A 45 -2.849 -10.678 0.877 1.00 0.00 C ATOM 699 C GLU A 45 -3.539 -11.329 -0.318 1.00 0.00 C ATOM 700 O GLU A 45 -4.026 -12.452 -0.225 1.00 0.00 O ATOM 701 CB GLU A 45 -3.638 -9.452 1.334 1.00 0.00 C ATOM 702 CG GLU A 45 -3.209 -8.923 2.691 1.00 0.00 C ATOM 703 CD GLU A 45 -4.036 -7.741 3.145 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.269 -7.894 3.284 1.00 0.00 O ATOM 705 OE2 GLU A 45 -3.461 -6.661 3.379 1.00 0.00 O ATOM 0 H GLU A 45 -1.315 -9.314 0.448 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.820 -11.403 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.525 -8.661 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.698 -9.705 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.288 -9.721 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.160 -8.632 2.648 1.00 0.00 H new ATOM 712 N ARG A 46 -3.562 -10.624 -1.440 1.00 0.00 N ATOM 713 CA ARG A 46 -4.254 -11.101 -2.634 1.00 0.00 C ATOM 714 C ARG A 46 -3.511 -12.275 -3.277 1.00 0.00 C ATOM 715 O ARG A 46 -4.066 -13.363 -3.432 1.00 0.00 O ATOM 716 CB ARG A 46 -4.418 -9.954 -3.637 1.00 0.00 C ATOM 717 CG ARG A 46 -5.859 -9.494 -3.837 1.00 0.00 C ATOM 718 CD ARG A 46 -6.575 -9.248 -2.517 1.00 0.00 C ATOM 719 NE ARG A 46 -7.864 -8.579 -2.703 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.020 -9.204 -2.936 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.063 -10.522 -3.090 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.139 -8.501 -3.029 1.00 0.00 N ATOM 0 H ARG A 46 -3.109 -9.717 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.240 -11.458 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.822 -9.106 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.013 -10.268 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.867 -8.578 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.403 -10.247 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.731 -10.199 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.942 -8.640 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.880 -7.560 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.205 -11.071 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.954 -10.986 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.114 -7.487 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.025 -8.974 -3.207 1.00 0.00 H new ATOM 736 N TYR A 47 -2.253 -12.058 -3.630 1.00 0.00 N ATOM 737 CA TYR A 47 -1.459 -13.087 -4.293 1.00 0.00 C ATOM 738 C TYR A 47 -0.719 -13.947 -3.276 1.00 0.00 C ATOM 739 O TYR A 47 -0.920 -15.161 -3.206 1.00 0.00 O ATOM 740 CB TYR A 47 -0.468 -12.448 -5.266 1.00 0.00 C ATOM 741 CG TYR A 47 -1.118 -11.889 -6.510 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.725 -10.639 -6.510 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.129 -12.621 -7.687 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.324 -10.138 -7.649 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.726 -12.129 -8.829 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.323 -10.888 -8.807 1.00 0.00 C ATOM 747 OH TYR A 47 -2.930 -10.402 -9.943 1.00 0.00 O ATOM 0 H TYR A 47 -1.758 -11.180 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.138 -13.731 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.066 -11.648 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.274 -13.192 -5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.728 -10.050 -5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.662 -13.594 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.791 -9.164 -7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.725 -12.714 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.837 -11.055 -10.668 1.00 0.00 H new ATOM 757 N GLY A 48 0.132 -13.312 -2.488 1.00 0.00 N ATOM 758 CA GLY A 48 0.878 -14.028 -1.475 1.00 0.00 C ATOM 759 C GLY A 48 2.282 -14.379 -1.916 1.00 0.00 C ATOM 760 O GLY A 48 2.702 -15.529 -1.801 1.00 0.00 O ATOM 0 H GLY A 48 0.321 -12.311 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.928 -13.421 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.344 -14.943 -1.216 1.00 0.00 H new ATOM 764 N TRP A 49 3.009 -13.399 -2.431 1.00 0.00 N ATOM 765 CA TRP A 49 4.401 -13.608 -2.799 1.00 0.00 C ATOM 766 C TRP A 49 5.295 -13.375 -1.588 1.00 0.00 C ATOM 767 O TRP A 49 4.809 -13.019 -0.513 1.00 0.00 O ATOM 768 CB TRP A 49 4.822 -12.660 -3.928 1.00 0.00 C ATOM 769 CG TRP A 49 4.018 -12.798 -5.185 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.702 -13.953 -5.841 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.458 -11.731 -5.958 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.960 -13.668 -6.964 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.803 -12.313 -7.059 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.441 -10.341 -5.821 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.138 -11.552 -8.015 1.00 0.00 C ATOM 776 CZ3 TRP A 49 2.784 -9.587 -6.775 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.141 -10.195 -7.859 1.00 0.00 C ATOM 0 H TRP A 49 2.661 -12.456 -2.603 1.00 0.00 H new ATOM 0 HA TRP A 49 4.508 -14.635 -3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.743 -11.633 -3.572 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.872 -12.837 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.992 -14.944 -5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.588 -14.356 -7.619 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.932 -9.864 -4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.637 -12.018 -8.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.767 -8.511 -6.682 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.636 -9.578 -8.588 1.00 0.00 H new ATOM 788 N SER A 50 6.592 -13.581 -1.759 1.00 0.00 N ATOM 789 CA SER A 50 7.556 -13.246 -0.723 1.00 0.00 C ATOM 790 C SER A 50 7.680 -11.729 -0.631 1.00 0.00 C ATOM 791 O SER A 50 7.497 -11.034 -1.634 1.00 0.00 O ATOM 792 CB SER A 50 8.914 -13.868 -1.051 1.00 0.00 C ATOM 793 OG SER A 50 8.771 -15.229 -1.424 1.00 0.00 O ATOM 0 H SER A 50 7.001 -13.978 -2.605 1.00 0.00 H new ATOM 0 HA SER A 50 7.217 -13.641 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.387 -13.313 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.572 -13.791 -0.186 1.00 0.00 H new ATOM 0 HG SER A 50 9.652 -15.606 -1.631 1.00 0.00 H new ATOM 799 N LYS A 51 7.979 -11.217 0.556 1.00 0.00 N ATOM 800 CA LYS A 51 8.106 -9.776 0.748 1.00 0.00 C ATOM 801 C LYS A 51 9.151 -9.191 -0.197 1.00 0.00 C ATOM 802 O LYS A 51 8.926 -8.149 -0.810 1.00 0.00 O ATOM 803 CB LYS A 51 8.461 -9.438 2.199 1.00 0.00 C ATOM 804 CG LYS A 51 8.639 -7.944 2.431 1.00 0.00 C ATOM 805 CD LYS A 51 8.889 -7.614 3.891 1.00 0.00 C ATOM 806 CE LYS A 51 9.145 -6.127 4.076 1.00 0.00 C ATOM 807 NZ LYS A 51 9.266 -5.755 5.509 1.00 0.00 N ATOM 0 H LYS A 51 8.137 -11.773 1.396 1.00 0.00 H new ATOM 0 HA LYS A 51 7.139 -9.329 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.676 -9.812 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.380 -9.956 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.474 -7.582 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.748 -7.417 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.029 -7.916 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.745 -8.182 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.059 -5.849 3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.332 -5.560 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.440 -4.733 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.385 -5.996 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.058 -6.275 5.937 1.00 0.00 H new ATOM 821 N GLU A 52 10.285 -9.874 -0.323 1.00 0.00 N ATOM 822 CA GLU A 52 11.342 -9.442 -1.227 1.00 0.00 C ATOM 823 C GLU A 52 10.815 -9.339 -2.657 1.00 0.00 C ATOM 824 O GLU A 52 11.029 -8.336 -3.339 1.00 0.00 O ATOM 825 CB GLU A 52 12.518 -10.416 -1.160 1.00 0.00 C ATOM 826 CG GLU A 52 13.669 -10.056 -2.082 1.00 0.00 C ATOM 827 CD GLU A 52 14.871 -10.949 -1.879 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.918 -12.040 -2.482 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.775 -10.569 -1.106 1.00 0.00 O ATOM 0 H GLU A 52 10.494 -10.730 0.191 1.00 0.00 H new ATOM 0 HA GLU A 52 11.685 -8.455 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.886 -10.456 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.164 -11.416 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.337 -10.128 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.957 -9.019 -1.911 1.00 0.00 H new ATOM 836 N ARG A 53 10.102 -10.372 -3.093 1.00 0.00 N ATOM 837 CA ARG A 53 9.516 -10.389 -4.428 1.00 0.00 C ATOM 838 C ARG A 53 8.523 -9.240 -4.582 1.00 0.00 C ATOM 839 O ARG A 53 8.492 -8.568 -5.613 1.00 0.00 O ATOM 840 CB ARG A 53 8.818 -11.726 -4.694 1.00 0.00 C ATOM 841 CG ARG A 53 8.283 -11.858 -6.112 1.00 0.00 C ATOM 842 CD ARG A 53 7.635 -13.212 -6.344 1.00 0.00 C ATOM 843 NE ARG A 53 8.540 -14.320 -6.039 1.00 0.00 N ATOM 844 CZ ARG A 53 8.509 -15.499 -6.655 1.00 0.00 C ATOM 845 NH1 ARG A 53 7.657 -15.720 -7.648 1.00 0.00 N ATOM 846 NH2 ARG A 53 9.342 -16.458 -6.276 1.00 0.00 N ATOM 0 H ARG A 53 9.916 -11.209 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 53 10.317 -10.266 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.519 -12.538 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.994 -11.843 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.555 -11.069 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.097 -11.718 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.741 -13.295 -5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.312 -13.285 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 53 9.238 -14.180 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.018 -14.983 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.641 -16.627 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.002 -16.290 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.323 -17.364 -6.744 1.00 0.00 H new ATOM 860 N ALA A 54 7.731 -9.010 -3.540 1.00 0.00 N ATOM 861 CA ALA A 54 6.758 -7.928 -3.540 1.00 0.00 C ATOM 862 C ALA A 54 7.450 -6.579 -3.694 1.00 0.00 C ATOM 863 O ALA A 54 7.044 -5.764 -4.516 1.00 0.00 O ATOM 864 CB ALA A 54 5.925 -7.963 -2.269 1.00 0.00 C ATOM 0 H ALA A 54 7.746 -9.562 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 54 6.092 -8.065 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.202 -7.147 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.397 -8.914 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.578 -7.853 -1.403 1.00 0.00 H new ATOM 870 N GLU A 55 8.509 -6.361 -2.912 1.00 0.00 N ATOM 871 CA GLU A 55 9.295 -5.130 -2.998 1.00 0.00 C ATOM 872 C GLU A 55 9.801 -4.910 -4.416 1.00 0.00 C ATOM 873 O GLU A 55 9.725 -3.803 -4.956 1.00 0.00 O ATOM 874 CB GLU A 55 10.493 -5.187 -2.053 1.00 0.00 C ATOM 875 CG GLU A 55 10.130 -5.270 -0.584 1.00 0.00 C ATOM 876 CD GLU A 55 11.359 -5.285 0.292 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.868 -4.194 0.619 1.00 0.00 O ATOM 878 OE2 GLU A 55 11.844 -6.385 0.628 1.00 0.00 O ATOM 0 H GLU A 55 8.842 -7.023 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 55 8.643 -4.305 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.104 -6.051 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.109 -4.302 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.501 -4.421 -0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.543 -6.171 -0.404 1.00 0.00 H new ATOM 885 N GLN A 56 10.323 -5.976 -5.011 1.00 0.00 N ATOM 886 CA GLN A 56 10.827 -5.921 -6.374 1.00 0.00 C ATOM 887 C GLN A 56 9.725 -5.495 -7.337 1.00 0.00 C ATOM 888 O GLN A 56 9.928 -4.617 -8.173 1.00 0.00 O ATOM 889 CB GLN A 56 11.398 -7.279 -6.789 1.00 0.00 C ATOM 890 CG GLN A 56 12.924 -7.335 -6.845 1.00 0.00 C ATOM 891 CD GLN A 56 13.613 -7.357 -5.483 1.00 0.00 C ATOM 892 OE1 GLN A 56 14.664 -7.978 -5.329 1.00 0.00 O ATOM 893 NE2 GLN A 56 13.058 -6.670 -4.499 1.00 0.00 N ATOM 0 H GLN A 56 10.408 -6.891 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 56 11.626 -5.180 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.045 -8.036 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.001 -7.541 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.221 -8.224 -7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.285 -6.473 -7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.186 -6.165 -4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.502 -6.645 -3.581 1.00 0.00 H new ATOM 902 N GLU A 57 8.553 -6.105 -7.195 1.00 0.00 N ATOM 903 CA GLU A 57 7.407 -5.785 -8.038 1.00 0.00 C ATOM 904 C GLU A 57 6.935 -4.352 -7.814 1.00 0.00 C ATOM 905 O GLU A 57 6.550 -3.668 -8.761 1.00 0.00 O ATOM 906 CB GLU A 57 6.262 -6.765 -7.777 1.00 0.00 C ATOM 907 CG GLU A 57 6.591 -8.193 -8.180 1.00 0.00 C ATOM 908 CD GLU A 57 6.745 -8.360 -9.679 1.00 0.00 C ATOM 909 OE1 GLU A 57 7.620 -7.701 -10.279 1.00 0.00 O ATOM 910 OE2 GLU A 57 5.991 -9.163 -10.268 1.00 0.00 O ATOM 0 H GLU A 57 8.372 -6.828 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 57 7.723 -5.877 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.008 -6.743 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.378 -6.435 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.514 -8.501 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.803 -8.857 -7.824 1.00 0.00 H new ATOM 917 N VAL A 58 6.965 -3.902 -6.564 1.00 0.00 N ATOM 918 CA VAL A 58 6.591 -2.530 -6.236 1.00 0.00 C ATOM 919 C VAL A 58 7.528 -1.536 -6.915 1.00 0.00 C ATOM 920 O VAL A 58 7.079 -0.578 -7.546 1.00 0.00 O ATOM 921 CB VAL A 58 6.599 -2.280 -4.709 1.00 0.00 C ATOM 922 CG1 VAL A 58 6.350 -0.812 -4.395 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.561 -3.146 -4.020 1.00 0.00 C ATOM 0 H VAL A 58 7.244 -4.466 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 58 5.575 -2.383 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 58 7.586 -2.549 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.361 -0.664 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.131 -0.205 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.380 -0.514 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.582 -2.955 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.572 -2.909 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.782 -4.197 -4.206 1.00 0.00 H new ATOM 933 N ARG A 59 8.831 -1.775 -6.801 1.00 0.00 N ATOM 934 CA ARG A 59 9.819 -0.909 -7.432 1.00 0.00 C ATOM 935 C ARG A 59 9.711 -0.993 -8.953 1.00 0.00 C ATOM 936 O ARG A 59 9.813 0.017 -9.650 1.00 0.00 O ATOM 937 CB ARG A 59 11.234 -1.274 -6.976 1.00 0.00 C ATOM 938 CG ARG A 59 12.317 -0.463 -7.673 1.00 0.00 C ATOM 939 CD ARG A 59 13.688 -0.702 -7.062 1.00 0.00 C ATOM 940 NE ARG A 59 14.741 -0.018 -7.812 1.00 0.00 N ATOM 941 CZ ARG A 59 15.131 1.236 -7.585 1.00 0.00 C ATOM 942 NH1 ARG A 59 14.575 1.948 -6.611 1.00 0.00 N ATOM 943 NH2 ARG A 59 16.080 1.775 -8.337 1.00 0.00 N ATOM 0 H ARG A 59 9.225 -2.558 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 59 9.616 0.117 -7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.312 -1.123 -5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.407 -2.334 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.341 -0.724 -8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.072 0.597 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.692 -0.354 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.894 -1.772 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 59 15.207 -0.535 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.844 1.535 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.879 2.907 -6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.508 1.230 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.382 2.734 -8.167 1.00 0.00 H new ATOM 957 N ASP A 60 9.490 -2.202 -9.453 1.00 0.00 N ATOM 958 CA ASP A 60 9.310 -2.428 -10.885 1.00 0.00 C ATOM 959 C ASP A 60 8.101 -1.654 -11.400 1.00 0.00 C ATOM 960 O ASP A 60 8.097 -1.149 -12.524 1.00 0.00 O ATOM 961 CB ASP A 60 9.131 -3.925 -11.160 1.00 0.00 C ATOM 962 CG ASP A 60 8.934 -4.234 -12.630 1.00 0.00 C ATOM 963 OD1 ASP A 60 7.776 -4.217 -13.095 1.00 0.00 O ATOM 964 OD2 ASP A 60 9.936 -4.496 -13.329 1.00 0.00 O ATOM 0 H ASP A 60 9.430 -3.047 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 60 10.198 -2.073 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.005 -4.464 -10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.272 -4.293 -10.598 1.00 0.00 H new ATOM 969 N PHE A 61 7.082 -1.554 -10.560 1.00 0.00 N ATOM 970 CA PHE A 61 5.870 -0.826 -10.898 1.00 0.00 C ATOM 971 C PHE A 61 6.102 0.682 -10.811 1.00 0.00 C ATOM 972 O PHE A 61 5.680 1.435 -11.688 1.00 0.00 O ATOM 973 CB PHE A 61 4.738 -1.247 -9.960 1.00 0.00 C ATOM 974 CG PHE A 61 3.440 -0.547 -10.225 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.677 -0.880 -11.331 1.00 0.00 C ATOM 976 CD2 PHE A 61 2.981 0.440 -9.367 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.482 -0.237 -11.580 1.00 0.00 C ATOM 978 CE2 PHE A 61 1.787 1.086 -9.612 1.00 0.00 C ATOM 979 CZ PHE A 61 1.035 0.747 -10.719 1.00 0.00 C ATOM 0 H PHE A 61 7.072 -1.973 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 61 5.591 -1.065 -11.924 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.585 -2.322 -10.050 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.041 -1.054 -8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.020 -1.650 -12.005 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.564 0.706 -8.498 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.896 -0.503 -12.448 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.441 1.856 -8.939 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.099 1.250 -10.912 1.00 0.00 H new ATOM 989 N SER A 62 6.791 1.107 -9.757 1.00 0.00 N ATOM 990 CA SER A 62 7.080 2.520 -9.527 1.00 0.00 C ATOM 991 C SER A 62 7.891 3.110 -10.683 1.00 0.00 C ATOM 992 O SER A 62 7.771 4.293 -11.004 1.00 0.00 O ATOM 993 CB SER A 62 7.837 2.686 -8.204 1.00 0.00 C ATOM 994 OG SER A 62 7.993 4.053 -7.855 1.00 0.00 O ATOM 0 H SER A 62 7.164 0.485 -9.040 1.00 0.00 H new ATOM 0 HA SER A 62 6.136 3.062 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.300 2.167 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.818 2.217 -8.285 1.00 0.00 H new ATOM 0 HG SER A 62 8.478 4.121 -7.006 1.00 0.00 H new ATOM 1000 N ASP A 63 8.703 2.268 -11.309 1.00 0.00 N ATOM 1001 CA ASP A 63 9.525 2.679 -12.444 1.00 0.00 C ATOM 1002 C ASP A 63 8.656 3.145 -13.612 1.00 0.00 C ATOM 1003 O ASP A 63 9.034 4.042 -14.368 1.00 0.00 O ATOM 1004 CB ASP A 63 10.413 1.514 -12.888 1.00 0.00 C ATOM 1005 CG ASP A 63 11.399 1.902 -13.973 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.525 2.322 -13.630 1.00 0.00 O ATOM 1007 OD2 ASP A 63 11.063 1.774 -15.167 1.00 0.00 O ATOM 0 H ASP A 63 8.811 1.288 -11.048 1.00 0.00 H new ATOM 0 HA ASP A 63 10.150 3.515 -12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.961 1.133 -12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.783 0.702 -13.250 1.00 0.00 H new ATOM 1012 N ARG A 64 7.475 2.554 -13.737 1.00 0.00 N ATOM 1013 CA ARG A 64 6.583 2.851 -14.853 1.00 0.00 C ATOM 1014 C ARG A 64 5.497 3.839 -14.442 1.00 0.00 C ATOM 1015 O ARG A 64 4.471 3.967 -15.113 1.00 0.00 O ATOM 1016 CB ARG A 64 5.951 1.568 -15.409 1.00 0.00 C ATOM 1017 CG ARG A 64 6.892 0.743 -16.278 1.00 0.00 C ATOM 1018 CD ARG A 64 8.005 0.108 -15.462 1.00 0.00 C ATOM 1019 NE ARG A 64 9.042 -0.487 -16.305 1.00 0.00 N ATOM 1020 CZ ARG A 64 9.673 -1.623 -16.015 1.00 0.00 C ATOM 1021 NH1 ARG A 64 9.358 -2.296 -14.918 1.00 0.00 N ATOM 1022 NH2 ARG A 64 10.624 -2.075 -16.820 1.00 0.00 N ATOM 0 H ARG A 64 7.111 1.865 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 64 7.183 3.309 -15.639 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.608 0.953 -14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.070 1.832 -15.994 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.326 -0.036 -16.788 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.325 1.379 -17.050 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.454 0.862 -14.815 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.584 -0.659 -14.812 1.00 0.00 H new ATOM 0 HE ARG A 64 9.297 -0.003 -17.166 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.631 -1.944 -14.295 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.842 -3.166 -14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.872 -1.553 -17.660 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.108 -2.945 -16.599 1.00 0.00 H new ATOM 1036 N LEU A 65 5.723 4.541 -13.343 1.00 0.00 N ATOM 1037 CA LEU A 65 4.811 5.589 -12.922 1.00 0.00 C ATOM 1038 C LEU A 65 5.186 6.892 -13.609 1.00 0.00 C ATOM 1039 O LEU A 65 6.084 7.596 -13.100 1.00 0.00 O ATOM 1040 CB LEU A 65 4.835 5.770 -11.401 1.00 0.00 C ATOM 1041 CG LEU A 65 4.415 4.545 -10.587 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.436 4.867 -9.101 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.035 4.067 -11.008 1.00 0.00 C ATOM 1044 OXT LEU A 65 4.603 7.198 -14.670 1.00 0.00 O ATOM 0 H LEU A 65 6.527 4.404 -12.730 1.00 0.00 H new ATOM 0 HA LEU A 65 3.799 5.301 -13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.844 6.055 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.179 6.600 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 65 5.127 3.743 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.135 3.986 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.443 5.161 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.745 5.684 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.756 3.195 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.309 4.863 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.049 3.799 -12.065 1.00 0.00 H new TER 1056 LEU A 65