USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 180:sc= 0.0521 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.09) USER MOD Set 2.1: A 14 MET CE :methyl -168:sc=-0.00691 (180deg=-0.141) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.0152 X(o=-0.022,f=-0.28) USER MOD Set 3.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 75 HIS : no HE2:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.291 K(o=-0.29,f=-7.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 13 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -170:sc= -0.0711 USER MOD Single : A 33 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.069) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -87:sc= 0.0307 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.2) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.171 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 170:sc= -0.0821 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.806 17.383 7.484 1.00 0.00 N ATOM 2 CA GLU A 1 18.433 17.629 7.997 1.00 0.00 C ATOM 3 C GLU A 1 17.517 16.468 7.584 1.00 0.00 C ATOM 4 O GLU A 1 17.521 16.057 6.420 1.00 0.00 O ATOM 5 CB GLU A 1 17.899 18.993 7.507 1.00 0.00 C ATOM 6 CG GLU A 1 16.543 19.371 8.124 1.00 0.00 C ATOM 7 CD GLU A 1 16.087 20.771 7.678 1.00 0.00 C ATOM 8 OE1 GLU A 1 16.418 21.771 8.361 1.00 0.00 O ATOM 9 OE2 GLU A 1 15.375 20.877 6.650 1.00 0.00 O ATOM 0 H1 GLU A 1 20.427 18.169 7.763 1.00 0.00 H new ATOM 0 H2 GLU A 1 20.171 16.495 7.882 1.00 0.00 H new ATOM 0 H3 GLU A 1 19.782 17.313 6.447 1.00 0.00 H new ATOM 0 HA GLU A 1 18.455 17.674 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.628 19.768 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 1 17.803 18.969 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 1 15.793 18.634 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 1 16.616 19.341 9.211 1.00 0.00 H new ATOM 18 N ASP A 2 16.735 15.920 8.521 1.00 0.00 N ATOM 19 CA ASP A 2 15.777 14.847 8.235 1.00 0.00 C ATOM 20 C ASP A 2 14.493 15.439 7.657 1.00 0.00 C ATOM 21 O ASP A 2 13.983 16.435 8.181 1.00 0.00 O ATOM 22 CB ASP A 2 15.457 14.054 9.503 1.00 0.00 C ATOM 23 CG ASP A 2 14.415 12.961 9.210 1.00 0.00 C ATOM 24 OD1 ASP A 2 14.752 11.984 8.501 1.00 0.00 O ATOM 25 OD2 ASP A 2 13.265 13.067 9.696 1.00 0.00 O ATOM 0 H ASP A 2 16.749 16.208 9.499 1.00 0.00 H new ATOM 0 HA ASP A 2 16.224 14.170 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.368 13.600 9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.080 14.726 10.273 1.00 0.00 H new ATOM 30 N ARG A 3 13.964 14.833 6.588 1.00 0.00 N ATOM 31 CA ARG A 3 12.689 15.203 5.972 1.00 0.00 C ATOM 32 C ARG A 3 11.930 13.921 5.626 1.00 0.00 C ATOM 33 O ARG A 3 12.551 12.892 5.337 1.00 0.00 O ATOM 34 CB ARG A 3 12.906 16.066 4.708 1.00 0.00 C ATOM 35 CG ARG A 3 13.403 17.492 5.002 1.00 0.00 C ATOM 36 CD ARG A 3 12.311 18.390 5.600 1.00 0.00 C ATOM 37 NE ARG A 3 12.842 19.726 5.916 1.00 0.00 N ATOM 38 CZ ARG A 3 12.144 20.851 6.113 1.00 0.00 C ATOM 39 NH1 ARG A 3 10.815 20.877 6.019 1.00 0.00 N ATOM 40 NH2 ARG A 3 12.820 21.954 6.412 1.00 0.00 N ATOM 0 H ARG A 3 14.423 14.053 6.118 1.00 0.00 H new ATOM 0 HA ARG A 3 12.109 15.803 6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.627 15.568 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.968 16.126 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.245 17.443 5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.772 17.941 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.484 18.481 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.912 17.930 6.504 1.00 0.00 H new ATOM 0 HE ARG A 3 13.856 19.803 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.303 20.025 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.310 21.749 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.837 21.925 6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.322 22.830 6.569 1.00 0.00 H new ATOM 54 N SER A 4 10.600 13.995 5.617 1.00 0.00 N ATOM 55 CA SER A 4 9.733 12.886 5.231 1.00 0.00 C ATOM 56 C SER A 4 9.882 12.597 3.732 1.00 0.00 C ATOM 57 O SER A 4 10.070 11.442 3.339 1.00 0.00 O ATOM 58 CB SER A 4 8.289 13.238 5.621 1.00 0.00 C ATOM 59 OG SER A 4 7.991 14.593 5.301 1.00 0.00 O ATOM 0 H SER A 4 10.089 14.838 5.881 1.00 0.00 H new ATOM 0 HA SER A 4 10.017 11.973 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.596 12.577 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.146 13.073 6.689 1.00 0.00 H new ATOM 0 HG SER A 4 7.066 14.794 5.556 1.00 0.00 H new ATOM 65 N LYS A 5 9.877 13.660 2.907 1.00 0.00 N ATOM 66 CA LYS A 5 10.120 13.622 1.459 1.00 0.00 C ATOM 67 C LYS A 5 9.232 12.575 0.763 1.00 0.00 C ATOM 68 O LYS A 5 9.690 11.839 -0.116 1.00 0.00 O ATOM 69 CB LYS A 5 11.634 13.464 1.203 1.00 0.00 C ATOM 70 CG LYS A 5 12.069 13.996 -0.174 1.00 0.00 C ATOM 71 CD LYS A 5 13.584 13.895 -0.406 1.00 0.00 C ATOM 72 CE LYS A 5 14.068 12.436 -0.473 1.00 0.00 C ATOM 73 NZ LYS A 5 15.521 12.337 -0.777 1.00 0.00 N ATOM 0 H LYS A 5 9.696 14.604 3.247 1.00 0.00 H new ATOM 0 HA LYS A 5 9.823 14.565 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.186 13.992 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.902 12.410 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.550 13.438 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.761 15.037 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.842 14.404 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.108 14.413 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.864 11.944 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.502 11.902 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.801 11.336 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.714 12.783 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.065 12.823 -0.035 1.00 0.00 H new ATOM 87 N THR A 6 7.979 12.444 1.204 1.00 0.00 N ATOM 88 CA THR A 6 7.078 11.393 0.754 1.00 0.00 C ATOM 89 C THR A 6 6.664 11.685 -0.688 1.00 0.00 C ATOM 90 O THR A 6 6.177 12.776 -0.990 1.00 0.00 O ATOM 91 CB THR A 6 5.890 11.261 1.731 1.00 0.00 C ATOM 92 OG1 THR A 6 6.244 11.679 3.041 1.00 0.00 O ATOM 93 CG2 THR A 6 5.428 9.803 1.809 1.00 0.00 C ATOM 0 H THR A 6 7.562 13.073 1.890 1.00 0.00 H new ATOM 0 HA THR A 6 7.573 10.422 0.756 1.00 0.00 H new ATOM 0 HB THR A 6 5.091 11.898 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.470 11.585 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.590 9.723 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.115 9.467 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.250 9.179 2.161 1.00 0.00 H new ATOM 101 N THR A 7 6.822 10.711 -1.582 1.00 0.00 N ATOM 102 CA THR A 7 6.585 10.876 -3.012 1.00 0.00 C ATOM 103 C THR A 7 5.917 9.629 -3.599 1.00 0.00 C ATOM 104 O THR A 7 6.044 8.522 -3.068 1.00 0.00 O ATOM 105 CB THR A 7 7.920 11.194 -3.725 1.00 0.00 C ATOM 106 OG1 THR A 7 8.996 10.436 -3.185 1.00 0.00 O ATOM 107 CG2 THR A 7 8.263 12.689 -3.644 1.00 0.00 C ATOM 0 H THR A 7 7.123 9.770 -1.328 1.00 0.00 H new ATOM 0 HA THR A 7 5.903 11.711 -3.169 1.00 0.00 H new ATOM 0 HB THR A 7 7.784 10.919 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.824 10.660 -3.659 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.207 12.874 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.473 13.270 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.353 12.986 -2.599 1.00 0.00 H new ATOM 115 N ASN A 8 5.189 9.826 -4.698 1.00 0.00 N ATOM 116 CA ASN A 8 4.646 8.767 -5.551 1.00 0.00 C ATOM 117 C ASN A 8 5.231 9.022 -6.932 1.00 0.00 C ATOM 118 O ASN A 8 5.297 10.182 -7.350 1.00 0.00 O ATOM 119 CB ASN A 8 3.110 8.806 -5.561 1.00 0.00 C ATOM 120 CG ASN A 8 2.500 7.532 -6.141 1.00 0.00 C ATOM 121 OD1 ASN A 8 3.143 6.793 -6.874 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.257 7.228 -5.799 1.00 0.00 N ATOM 0 H ASN A 8 4.952 10.760 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 8 4.911 7.773 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.746 8.949 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.775 9.664 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.827 6.371 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.730 7.851 -5.187 1.00 0.00 H new ATOM 129 N THR A 9 5.671 7.966 -7.606 1.00 0.00 N ATOM 130 CA THR A 9 6.389 8.069 -8.865 1.00 0.00 C ATOM 131 C THR A 9 5.720 7.164 -9.886 1.00 0.00 C ATOM 132 O THR A 9 5.330 6.035 -9.577 1.00 0.00 O ATOM 133 CB THR A 9 7.888 7.756 -8.691 1.00 0.00 C ATOM 134 OG1 THR A 9 8.447 8.619 -7.715 1.00 0.00 O ATOM 135 CG2 THR A 9 8.671 7.847 -10.014 1.00 0.00 C ATOM 0 H THR A 9 5.537 7.006 -7.288 1.00 0.00 H new ATOM 0 HA THR A 9 6.344 9.096 -9.228 1.00 0.00 H new ATOM 0 HB THR A 9 7.971 6.723 -8.355 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.400 8.416 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.721 7.617 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.262 7.133 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.585 8.855 -10.419 1.00 0.00 H new ATOM 143 N TRP A 10 5.666 7.648 -11.121 1.00 0.00 N ATOM 144 CA TRP A 10 5.152 6.954 -12.282 1.00 0.00 C ATOM 145 C TRP A 10 6.128 7.188 -13.426 1.00 0.00 C ATOM 146 O TRP A 10 6.896 8.148 -13.405 1.00 0.00 O ATOM 147 CB TRP A 10 3.766 7.515 -12.618 1.00 0.00 C ATOM 148 CG TRP A 10 2.776 7.449 -11.499 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.976 6.404 -11.221 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.441 8.461 -10.508 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.173 6.689 -10.137 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.380 7.975 -9.688 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.899 9.767 -10.259 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.768 8.771 -8.709 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.288 10.579 -9.291 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.217 10.090 -8.520 1.00 0.00 C ATOM 0 H TRP A 10 5.999 8.586 -11.345 1.00 0.00 H new ATOM 0 HA TRP A 10 5.053 5.884 -12.101 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.875 8.554 -12.927 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.365 6.969 -13.472 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.964 5.474 -11.769 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.512 6.033 -9.721 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.736 10.152 -10.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.038 8.376 -8.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.643 11.587 -9.137 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.742 10.725 -7.787 1.00 0.00 H new ATOM 167 N VAL A 11 6.084 6.334 -14.435 1.00 0.00 N ATOM 168 CA VAL A 11 6.773 6.533 -15.698 1.00 0.00 C ATOM 169 C VAL A 11 5.742 6.438 -16.826 1.00 0.00 C ATOM 170 O VAL A 11 4.839 5.600 -16.770 1.00 0.00 O ATOM 171 CB VAL A 11 7.983 5.586 -15.815 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.595 4.100 -15.824 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.839 5.934 -17.046 1.00 0.00 C ATOM 0 H VAL A 11 5.555 5.462 -14.397 1.00 0.00 H new ATOM 0 HA VAL A 11 7.216 7.527 -15.768 1.00 0.00 H new ATOM 0 HB VAL A 11 8.577 5.743 -14.915 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.494 3.490 -15.909 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.075 3.854 -14.898 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.940 3.900 -16.672 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.686 5.251 -17.105 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.234 5.841 -17.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.204 6.957 -16.958 1.00 0.00 H new ATOM 183 N LEU A 12 5.868 7.303 -17.833 1.00 0.00 N ATOM 184 CA LEU A 12 5.014 7.339 -19.007 1.00 0.00 C ATOM 185 C LEU A 12 5.895 7.292 -20.243 1.00 0.00 C ATOM 186 O LEU A 12 6.779 8.133 -20.389 1.00 0.00 O ATOM 187 CB LEU A 12 4.173 8.634 -18.983 1.00 0.00 C ATOM 188 CG LEU A 12 2.682 8.426 -19.265 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.447 7.798 -20.638 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.043 7.578 -18.160 1.00 0.00 C ATOM 0 H LEU A 12 6.594 8.020 -17.848 1.00 0.00 H new ATOM 0 HA LEU A 12 4.335 6.487 -19.018 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.283 9.106 -18.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.576 9.328 -19.720 1.00 0.00 H new ATOM 0 HG LEU A 12 2.206 9.406 -19.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.377 7.667 -20.800 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.854 8.450 -21.411 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.942 6.828 -20.684 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.983 7.439 -18.375 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.535 6.606 -18.117 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.156 8.085 -17.201 1.00 0.00 H new ATOM 202 N HIS A 13 5.644 6.341 -21.140 1.00 0.00 N ATOM 203 CA HIS A 13 6.262 6.315 -22.455 1.00 0.00 C ATOM 204 C HIS A 13 5.426 7.216 -23.366 1.00 0.00 C ATOM 205 O HIS A 13 4.221 6.989 -23.513 1.00 0.00 O ATOM 206 CB HIS A 13 6.344 4.874 -22.983 1.00 0.00 C ATOM 207 CG HIS A 13 6.969 4.733 -24.350 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.995 5.487 -24.879 1.00 0.00 N ATOM 209 CD2 HIS A 13 6.632 3.801 -25.295 1.00 0.00 C ATOM 210 CE1 HIS A 13 8.267 5.021 -26.109 1.00 0.00 C ATOM 211 NE2 HIS A 13 7.453 3.992 -26.416 1.00 0.00 N ATOM 0 H HIS A 13 5.003 5.566 -20.970 1.00 0.00 H new ATOM 0 HA HIS A 13 7.287 6.684 -22.417 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.916 4.275 -22.274 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.338 4.456 -23.015 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.466 6.264 -24.416 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.865 3.047 -25.194 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.032 5.416 -26.761 1.00 0.00 H new ATOM 219 N MET A 14 6.040 8.247 -23.943 1.00 0.00 N ATOM 220 CA MET A 14 5.367 9.272 -24.723 1.00 0.00 C ATOM 221 C MET A 14 6.397 9.928 -25.643 1.00 0.00 C ATOM 222 O MET A 14 7.530 10.165 -25.230 1.00 0.00 O ATOM 223 CB MET A 14 4.730 10.284 -23.755 1.00 0.00 C ATOM 224 CG MET A 14 4.018 11.459 -24.434 1.00 0.00 C ATOM 225 SD MET A 14 3.420 12.727 -23.281 1.00 0.00 S ATOM 226 CE MET A 14 2.198 11.795 -22.315 1.00 0.00 C ATOM 0 H MET A 14 7.047 8.392 -23.876 1.00 0.00 H new ATOM 0 HA MET A 14 4.574 8.853 -25.342 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.014 9.760 -23.122 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.507 10.677 -23.099 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.702 11.923 -25.145 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.173 11.076 -25.007 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.602 12.486 -21.719 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.545 11.242 -22.990 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.712 11.097 -21.655 1.00 0.00 H new ATOM 236 N ASP A 15 5.995 10.225 -26.885 1.00 0.00 N ATOM 237 CA ASP A 15 6.798 10.942 -27.886 1.00 0.00 C ATOM 238 C ASP A 15 8.198 10.334 -28.086 1.00 0.00 C ATOM 239 O ASP A 15 9.198 11.035 -28.269 1.00 0.00 O ATOM 240 CB ASP A 15 6.800 12.451 -27.597 1.00 0.00 C ATOM 241 CG ASP A 15 7.396 13.269 -28.760 1.00 0.00 C ATOM 242 OD1 ASP A 15 7.073 12.987 -29.941 1.00 0.00 O ATOM 243 OD2 ASP A 15 8.131 14.253 -28.497 1.00 0.00 O ATOM 0 H ASP A 15 5.072 9.965 -27.233 1.00 0.00 H new ATOM 0 HA ASP A 15 6.319 10.811 -28.857 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.779 12.784 -27.407 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.372 12.644 -26.689 1.00 0.00 H new ATOM 248 N GLY A 16 8.277 8.997 -28.033 1.00 0.00 N ATOM 249 CA GLY A 16 9.510 8.244 -28.246 1.00 0.00 C ATOM 250 C GLY A 16 10.482 8.306 -27.060 1.00 0.00 C ATOM 251 O GLY A 16 11.614 7.832 -27.183 1.00 0.00 O ATOM 0 H GLY A 16 7.471 8.404 -27.838 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.259 7.202 -28.445 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.011 8.627 -29.135 1.00 0.00 H new ATOM 255 N GLU A 17 10.059 8.862 -25.921 1.00 0.00 N ATOM 256 CA GLU A 17 10.821 9.000 -24.691 1.00 0.00 C ATOM 257 C GLU A 17 10.058 8.342 -23.538 1.00 0.00 C ATOM 258 O GLU A 17 8.927 7.879 -23.707 1.00 0.00 O ATOM 259 CB GLU A 17 11.123 10.489 -24.422 1.00 0.00 C ATOM 260 CG GLU A 17 12.270 10.988 -25.308 1.00 0.00 C ATOM 261 CD GLU A 17 12.675 12.432 -24.959 1.00 0.00 C ATOM 262 OE1 GLU A 17 13.494 12.624 -24.025 1.00 0.00 O ATOM 263 OE2 GLU A 17 12.207 13.384 -25.631 1.00 0.00 O ATOM 0 H GLU A 17 9.119 9.249 -25.835 1.00 0.00 H new ATOM 0 HA GLU A 17 11.779 8.490 -24.785 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.229 11.084 -24.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.384 10.627 -23.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.132 10.331 -25.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.969 10.938 -26.355 1.00 0.00 H new ATOM 270 N ASN A 18 10.682 8.271 -22.363 1.00 0.00 N ATOM 271 CA ASN A 18 10.043 7.873 -21.118 1.00 0.00 C ATOM 272 C ASN A 18 10.217 9.016 -20.135 1.00 0.00 C ATOM 273 O ASN A 18 11.351 9.412 -19.851 1.00 0.00 O ATOM 274 CB ASN A 18 10.619 6.555 -20.569 1.00 0.00 C ATOM 275 CG ASN A 18 9.901 5.345 -21.150 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.950 4.843 -20.561 1.00 0.00 O ATOM 277 ND2 ASN A 18 10.319 4.867 -22.315 1.00 0.00 N ATOM 0 H ASN A 18 11.671 8.495 -22.252 1.00 0.00 H new ATOM 0 HA ASN A 18 8.984 7.678 -21.288 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.682 6.496 -20.804 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.532 6.544 -19.483 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.847 4.067 -22.737 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.112 5.299 -22.789 1.00 0.00 H new ATOM 284 N PHE A 19 9.106 9.541 -19.619 1.00 0.00 N ATOM 285 CA PHE A 19 9.101 10.655 -18.677 1.00 0.00 C ATOM 286 C PHE A 19 8.748 10.117 -17.296 1.00 0.00 C ATOM 287 O PHE A 19 7.730 9.441 -17.143 1.00 0.00 O ATOM 288 CB PHE A 19 8.105 11.732 -19.144 1.00 0.00 C ATOM 289 CG PHE A 19 8.318 12.240 -20.563 1.00 0.00 C ATOM 290 CD1 PHE A 19 9.597 12.641 -21.003 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.227 12.320 -21.450 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.782 13.114 -22.314 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.413 12.801 -22.759 1.00 0.00 C ATOM 294 CZ PHE A 19 8.690 13.194 -23.194 1.00 0.00 C ATOM 0 H PHE A 19 8.173 9.199 -19.848 1.00 0.00 H new ATOM 0 HA PHE A 19 10.084 11.123 -18.629 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.095 11.328 -19.067 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.162 12.578 -18.460 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.439 12.584 -20.329 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.245 12.011 -21.124 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.765 13.416 -22.645 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.571 12.868 -23.432 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.831 13.556 -24.202 1.00 0.00 H new ATOM 304 N ARG A 20 9.567 10.407 -16.282 1.00 0.00 N ATOM 305 CA ARG A 20 9.214 10.138 -14.891 1.00 0.00 C ATOM 306 C ARG A 20 8.286 11.256 -14.432 1.00 0.00 C ATOM 307 O ARG A 20 8.541 12.420 -14.737 1.00 0.00 O ATOM 308 CB ARG A 20 10.468 10.041 -13.986 1.00 0.00 C ATOM 309 CG ARG A 20 10.546 8.731 -13.183 1.00 0.00 C ATOM 310 CD ARG A 20 11.007 7.519 -14.009 1.00 0.00 C ATOM 311 NE ARG A 20 12.427 7.625 -14.402 1.00 0.00 N ATOM 312 CZ ARG A 20 13.158 6.683 -15.017 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.633 5.494 -15.311 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.424 6.934 -15.336 1.00 0.00 N ATOM 0 H ARG A 20 10.486 10.832 -16.403 1.00 0.00 H new ATOM 0 HA ARG A 20 8.715 9.172 -14.815 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.361 10.132 -14.605 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.473 10.883 -13.294 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.231 8.870 -12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.565 8.517 -12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.858 6.608 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.389 7.433 -14.903 1.00 0.00 H new ATOM 0 HE ARG A 20 12.899 8.502 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.663 5.291 -15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.201 4.787 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.836 7.840 -15.113 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.983 6.221 -15.804 1.00 0.00 H new ATOM 328 N ILE A 21 7.260 10.914 -13.667 1.00 0.00 N ATOM 329 CA ILE A 21 6.400 11.837 -12.957 1.00 0.00 C ATOM 330 C ILE A 21 6.672 11.533 -11.499 1.00 0.00 C ATOM 331 O ILE A 21 6.595 10.366 -11.126 1.00 0.00 O ATOM 332 CB ILE A 21 4.912 11.618 -13.294 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.647 11.723 -14.804 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.004 12.568 -12.485 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.874 13.102 -15.422 1.00 0.00 C ATOM 0 H ILE A 21 6.996 9.940 -13.520 1.00 0.00 H new ATOM 0 HA ILE A 21 6.603 12.874 -13.226 1.00 0.00 H new ATOM 0 HB ILE A 21 4.660 10.600 -12.998 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.287 11.005 -15.317 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.616 11.425 -14.995 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.962 12.386 -12.747 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.147 12.388 -11.419 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.261 13.602 -12.716 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.658 13.062 -16.490 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.215 13.827 -14.945 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.911 13.401 -15.273 1.00 0.00 H new ATOM 347 N VAL A 22 6.938 12.535 -10.673 1.00 0.00 N ATOM 348 CA VAL A 22 7.018 12.384 -9.242 1.00 0.00 C ATOM 349 C VAL A 22 6.095 13.433 -8.639 1.00 0.00 C ATOM 350 O VAL A 22 6.301 14.630 -8.820 1.00 0.00 O ATOM 351 CB VAL A 22 8.479 12.485 -8.750 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.549 12.210 -7.242 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.413 11.506 -9.470 1.00 0.00 C ATOM 0 H VAL A 22 7.106 13.489 -10.992 1.00 0.00 H new ATOM 0 HA VAL A 22 6.691 11.395 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 22 8.812 13.498 -8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.583 12.284 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.942 12.942 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.172 11.208 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.426 11.620 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.072 10.485 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.405 11.716 -10.540 1.00 0.00 H new ATOM 363 N LEU A 23 5.062 12.990 -7.935 1.00 0.00 N ATOM 364 CA LEU A 23 4.224 13.858 -7.117 1.00 0.00 C ATOM 365 C LEU A 23 4.928 13.968 -5.767 1.00 0.00 C ATOM 366 O LEU A 23 5.162 12.943 -5.119 1.00 0.00 O ATOM 367 CB LEU A 23 2.838 13.210 -6.953 1.00 0.00 C ATOM 368 CG LEU A 23 2.002 13.714 -5.750 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.516 15.155 -5.910 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.803 12.790 -5.519 1.00 0.00 C ATOM 0 H LEU A 23 4.779 12.010 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 23 4.083 14.842 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.267 13.380 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.970 12.132 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 23 2.666 13.698 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.937 15.443 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.374 15.819 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.889 15.231 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.222 13.153 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.176 12.778 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.157 11.780 -5.311 1.00 0.00 H new ATOM 382 N GLU A 24 5.248 15.182 -5.336 1.00 0.00 N ATOM 383 CA GLU A 24 5.701 15.470 -3.993 1.00 0.00 C ATOM 384 C GLU A 24 4.446 15.515 -3.130 1.00 0.00 C ATOM 385 O GLU A 24 3.590 16.378 -3.331 1.00 0.00 O ATOM 386 CB GLU A 24 6.502 16.786 -4.005 1.00 0.00 C ATOM 387 CG GLU A 24 7.895 16.529 -3.437 1.00 0.00 C ATOM 388 CD GLU A 24 7.912 16.156 -1.937 1.00 0.00 C ATOM 389 OE1 GLU A 24 6.886 16.336 -1.239 1.00 0.00 O ATOM 390 OE2 GLU A 24 8.977 15.694 -1.459 1.00 0.00 O ATOM 0 H GLU A 24 5.196 16.009 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 24 6.378 14.719 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.576 17.172 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.989 17.544 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.363 15.725 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.505 17.420 -3.585 1.00 0.00 H new ATOM 397 N LYS A 25 4.290 14.558 -2.213 1.00 0.00 N ATOM 398 CA LYS A 25 3.016 14.392 -1.502 1.00 0.00 C ATOM 399 C LYS A 25 2.763 15.522 -0.504 1.00 0.00 C ATOM 400 O LYS A 25 1.606 15.873 -0.275 1.00 0.00 O ATOM 401 CB LYS A 25 2.934 13.031 -0.810 1.00 0.00 C ATOM 402 CG LYS A 25 2.839 11.907 -1.853 1.00 0.00 C ATOM 403 CD LYS A 25 2.993 10.522 -1.221 1.00 0.00 C ATOM 404 CE LYS A 25 1.813 10.175 -0.287 1.00 0.00 C ATOM 405 NZ LYS A 25 1.839 8.755 0.180 1.00 0.00 N ATOM 0 H LYS A 25 5.017 13.894 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 25 2.230 14.438 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.813 12.881 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.065 13.001 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.878 11.967 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.611 12.048 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.065 9.771 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.925 10.483 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.834 10.837 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.875 10.363 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.025 8.579 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.791 8.119 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.720 8.578 0.704 1.00 0.00 H new ATOM 419 N ASP A 26 3.816 16.090 0.091 1.00 0.00 N ATOM 420 CA ASP A 26 3.671 17.123 1.115 1.00 0.00 C ATOM 421 C ASP A 26 3.190 18.434 0.491 1.00 0.00 C ATOM 422 O ASP A 26 2.236 19.048 0.976 1.00 0.00 O ATOM 423 CB ASP A 26 4.986 17.352 1.865 1.00 0.00 C ATOM 424 CG ASP A 26 4.808 18.462 2.914 1.00 0.00 C ATOM 425 OD1 ASP A 26 4.179 18.205 3.967 1.00 0.00 O ATOM 426 OD2 ASP A 26 5.312 19.589 2.698 1.00 0.00 O ATOM 0 H ASP A 26 4.784 15.848 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 26 2.926 16.776 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.302 16.429 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.772 17.628 1.162 1.00 0.00 H new ATOM 431 N ALA A 27 3.829 18.840 -0.614 1.00 0.00 N ATOM 432 CA ALA A 27 3.550 20.096 -1.295 1.00 0.00 C ATOM 433 C ALA A 27 2.442 19.971 -2.352 1.00 0.00 C ATOM 434 O ALA A 27 1.885 20.988 -2.771 1.00 0.00 O ATOM 435 CB ALA A 27 4.852 20.609 -1.928 1.00 0.00 C ATOM 0 H ALA A 27 4.564 18.292 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 27 3.179 20.808 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.660 21.550 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.598 20.767 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.224 19.874 -2.642 1.00 0.00 H new ATOM 441 N MET A 28 2.135 18.745 -2.794 1.00 0.00 N ATOM 442 CA MET A 28 1.281 18.447 -3.943 1.00 0.00 C ATOM 443 C MET A 28 1.785 19.144 -5.217 1.00 0.00 C ATOM 444 O MET A 28 1.001 19.492 -6.104 1.00 0.00 O ATOM 445 CB MET A 28 -0.220 18.610 -3.642 1.00 0.00 C ATOM 446 CG MET A 28 -0.660 17.727 -2.469 1.00 0.00 C ATOM 447 SD MET A 28 -2.453 17.452 -2.338 1.00 0.00 S ATOM 448 CE MET A 28 -2.677 16.200 -3.634 1.00 0.00 C ATOM 0 H MET A 28 2.490 17.903 -2.341 1.00 0.00 H new ATOM 0 HA MET A 28 1.369 17.382 -4.156 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.434 19.654 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.799 18.353 -4.529 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.166 16.760 -2.558 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.309 18.180 -1.542 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.728 15.917 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.361 16.609 -4.594 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.076 15.321 -3.399 1.00 0.00 H new ATOM 458 N ASP A 29 3.107 19.346 -5.306 1.00 0.00 N ATOM 459 CA ASP A 29 3.783 19.789 -6.519 1.00 0.00 C ATOM 460 C ASP A 29 4.142 18.535 -7.315 1.00 0.00 C ATOM 461 O ASP A 29 4.309 17.459 -6.727 1.00 0.00 O ATOM 462 CB ASP A 29 5.027 20.633 -6.198 1.00 0.00 C ATOM 463 CG ASP A 29 5.397 21.602 -7.341 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.104 21.320 -8.526 1.00 0.00 O ATOM 465 OD2 ASP A 29 5.960 22.679 -7.030 1.00 0.00 O ATOM 0 H ASP A 29 3.741 19.202 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 29 3.130 20.436 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.849 21.203 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.870 19.971 -6.001 1.00 0.00 H new ATOM 470 N VAL A 30 4.253 18.629 -8.634 1.00 0.00 N ATOM 471 CA VAL A 30 4.488 17.480 -9.490 1.00 0.00 C ATOM 472 C VAL A 30 5.666 17.806 -10.400 1.00 0.00 C ATOM 473 O VAL A 30 5.611 18.708 -11.241 1.00 0.00 O ATOM 474 CB VAL A 30 3.202 17.081 -10.236 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.437 15.821 -11.084 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.023 16.812 -9.290 1.00 0.00 C ATOM 0 H VAL A 30 4.182 19.512 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 30 4.753 16.598 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 30 2.948 17.931 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.516 15.555 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.223 16.015 -11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.739 14.998 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.145 16.535 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.279 15.998 -8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.807 17.711 -8.713 1.00 0.00 H new ATOM 486 N TRP A 31 6.735 17.039 -10.213 1.00 0.00 N ATOM 487 CA TRP A 31 7.930 17.058 -11.015 1.00 0.00 C ATOM 488 C TRP A 31 7.689 16.138 -12.216 1.00 0.00 C ATOM 489 O TRP A 31 7.390 14.960 -12.023 1.00 0.00 O ATOM 490 CB TRP A 31 9.107 16.549 -10.154 1.00 0.00 C ATOM 491 CG TRP A 31 9.156 16.973 -8.705 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.804 16.222 -7.634 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.640 18.226 -8.135 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.058 16.907 -6.468 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.584 18.153 -6.714 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.145 19.413 -8.689 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.017 19.196 -5.883 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.606 20.462 -7.867 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.534 20.362 -6.468 1.00 0.00 C ATOM 0 H TRP A 31 6.783 16.356 -9.457 1.00 0.00 H new ATOM 0 HA TRP A 31 8.170 18.061 -11.367 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.097 15.459 -10.184 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.033 16.872 -10.629 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.384 15.228 -7.688 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.878 16.536 -5.535 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.181 19.525 -9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.954 19.103 -4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.019 21.352 -8.318 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.874 21.177 -5.847 1.00 0.00 H new ATOM 510 N CYS A 32 7.809 16.630 -13.447 1.00 0.00 N ATOM 511 CA CYS A 32 7.831 15.811 -14.652 1.00 0.00 C ATOM 512 C CYS A 32 9.221 15.979 -15.256 1.00 0.00 C ATOM 513 O CYS A 32 9.673 17.108 -15.458 1.00 0.00 O ATOM 514 CB CYS A 32 6.711 16.245 -15.599 1.00 0.00 C ATOM 515 SG CYS A 32 6.825 15.370 -17.190 1.00 0.00 S ATOM 0 H CYS A 32 7.895 17.629 -13.636 1.00 0.00 H new ATOM 0 HA CYS A 32 7.650 14.756 -14.444 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.743 16.045 -15.139 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.768 17.320 -15.767 1.00 0.00 H new ATOM 0 HG CYS A 32 5.999 15.905 -18.040 1.00 0.00 H new ATOM 521 N ASN A 33 9.916 14.862 -15.503 1.00 0.00 N ATOM 522 CA ASN A 33 11.298 14.840 -16.009 1.00 0.00 C ATOM 523 C ASN A 33 12.221 15.765 -15.183 1.00 0.00 C ATOM 524 O ASN A 33 13.104 16.438 -15.716 1.00 0.00 O ATOM 525 CB ASN A 33 11.297 15.109 -17.529 1.00 0.00 C ATOM 526 CG ASN A 33 12.647 14.825 -18.192 1.00 0.00 C ATOM 527 OD1 ASN A 33 13.337 15.729 -18.658 1.00 0.00 O ATOM 528 ND2 ASN A 33 13.044 13.561 -18.287 1.00 0.00 N ATOM 0 H ASN A 33 9.529 13.930 -15.355 1.00 0.00 H new ATOM 0 HA ASN A 33 11.729 13.848 -15.875 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.531 14.493 -18.000 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.023 16.149 -17.707 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.926 13.337 -18.748 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.467 12.815 -17.898 1.00 0.00 H new ATOM 535 N GLY A 34 11.988 15.819 -13.863 1.00 0.00 N ATOM 536 CA GLY A 34 12.782 16.600 -12.911 1.00 0.00 C ATOM 537 C GLY A 34 12.459 18.099 -12.864 1.00 0.00 C ATOM 538 O GLY A 34 13.085 18.812 -12.077 1.00 0.00 O ATOM 0 H GLY A 34 11.224 15.308 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.638 16.183 -11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.837 16.480 -13.158 1.00 0.00 H new ATOM 542 N LYS A 35 11.498 18.600 -13.656 1.00 0.00 N ATOM 543 CA LYS A 35 11.094 20.013 -13.678 1.00 0.00 C ATOM 544 C LYS A 35 9.666 20.135 -13.160 1.00 0.00 C ATOM 545 O LYS A 35 8.854 19.238 -13.391 1.00 0.00 O ATOM 546 CB LYS A 35 11.207 20.569 -15.110 1.00 0.00 C ATOM 547 CG LYS A 35 12.660 20.582 -15.618 1.00 0.00 C ATOM 548 CD LYS A 35 12.774 20.992 -17.093 1.00 0.00 C ATOM 549 CE LYS A 35 12.351 22.450 -17.339 1.00 0.00 C ATOM 550 NZ LYS A 35 12.557 22.862 -18.754 1.00 0.00 N ATOM 0 H LYS A 35 10.971 18.023 -14.311 1.00 0.00 H new ATOM 0 HA LYS A 35 11.753 20.596 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.595 19.966 -15.781 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.806 21.582 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.246 21.270 -15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.094 19.591 -15.487 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.803 20.856 -17.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.154 20.331 -17.698 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.300 22.571 -17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.922 23.108 -16.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.259 23.851 -18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.564 22.772 -18.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.993 22.252 -19.379 1.00 0.00 H new ATOM 564 N LYS A 36 9.320 21.224 -12.469 1.00 0.00 N ATOM 565 CA LYS A 36 7.933 21.470 -12.081 1.00 0.00 C ATOM 566 C LYS A 36 7.103 21.723 -13.337 1.00 0.00 C ATOM 567 O LYS A 36 7.604 22.320 -14.295 1.00 0.00 O ATOM 568 CB LYS A 36 7.841 22.678 -11.139 1.00 0.00 C ATOM 569 CG LYS A 36 8.606 22.462 -9.824 1.00 0.00 C ATOM 570 CD LYS A 36 9.214 23.761 -9.290 1.00 0.00 C ATOM 571 CE LYS A 36 8.149 24.827 -8.975 1.00 0.00 C ATOM 572 NZ LYS A 36 8.744 26.069 -8.416 1.00 0.00 N ATOM 0 H LYS A 36 9.978 21.944 -12.169 1.00 0.00 H new ATOM 0 HA LYS A 36 7.549 20.597 -11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.236 23.559 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.794 22.881 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.931 22.045 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.398 21.730 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.786 23.546 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.915 24.159 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.599 25.068 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.429 24.420 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.990 26.757 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.248 25.846 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.412 26.474 -9.103 1.00 0.00 H new ATOM 586 N LEU A 37 5.837 21.313 -13.320 1.00 0.00 N ATOM 587 CA LEU A 37 4.842 21.658 -14.326 1.00 0.00 C ATOM 588 C LEU A 37 3.637 22.328 -13.668 1.00 0.00 C ATOM 589 O LEU A 37 3.514 22.357 -12.442 1.00 0.00 O ATOM 590 CB LEU A 37 4.495 20.475 -15.242 1.00 0.00 C ATOM 591 CG LEU A 37 4.103 19.161 -14.561 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.858 19.225 -13.679 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.873 18.099 -15.637 1.00 0.00 C ATOM 0 H LEU A 37 5.466 20.714 -12.583 1.00 0.00 H new ATOM 0 HA LEU A 37 5.271 22.394 -15.006 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.674 20.779 -15.891 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.354 20.281 -15.885 1.00 0.00 H new ATOM 0 HG LEU A 37 4.931 18.921 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.669 18.243 -13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.015 19.950 -12.881 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.001 19.527 -14.281 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.593 17.157 -15.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.073 18.423 -16.303 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.789 17.959 -16.211 1.00 0.00 H new ATOM 605 N GLU A 38 2.774 22.908 -14.499 1.00 0.00 N ATOM 606 CA GLU A 38 1.575 23.611 -14.075 1.00 0.00 C ATOM 607 C GLU A 38 0.510 22.610 -13.624 1.00 0.00 C ATOM 608 O GLU A 38 0.386 21.535 -14.211 1.00 0.00 O ATOM 609 CB GLU A 38 1.057 24.529 -15.194 1.00 0.00 C ATOM 610 CG GLU A 38 0.632 23.778 -16.467 1.00 0.00 C ATOM 611 CD GLU A 38 0.296 24.756 -17.610 1.00 0.00 C ATOM 612 OE1 GLU A 38 -0.865 25.229 -17.692 1.00 0.00 O ATOM 613 OE2 GLU A 38 1.189 25.057 -18.438 1.00 0.00 O ATOM 0 H GLU A 38 2.896 22.899 -15.512 1.00 0.00 H new ATOM 0 HA GLU A 38 1.819 24.246 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.207 25.099 -14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.835 25.248 -15.450 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.433 23.109 -16.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.236 23.155 -16.251 1.00 0.00 H new ATOM 620 N THR A 39 -0.281 22.979 -12.619 1.00 0.00 N ATOM 621 CA THR A 39 -1.319 22.129 -12.039 1.00 0.00 C ATOM 622 C THR A 39 -2.559 22.971 -11.709 1.00 0.00 C ATOM 623 O THR A 39 -2.453 24.155 -11.370 1.00 0.00 O ATOM 624 CB THR A 39 -0.787 21.376 -10.797 1.00 0.00 C ATOM 625 OG1 THR A 39 0.112 22.151 -10.011 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.061 20.082 -11.194 1.00 0.00 C ATOM 0 H THR A 39 -0.217 23.896 -12.176 1.00 0.00 H new ATOM 0 HA THR A 39 -1.608 21.373 -12.769 1.00 0.00 H new ATOM 0 HB THR A 39 -1.674 21.156 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.412 21.623 -9.241 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.300 19.578 -10.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.750 19.427 -11.726 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.783 20.322 -11.840 1.00 0.00 H new ATOM 634 N ALA A 40 -3.731 22.337 -11.784 1.00 0.00 N ATOM 635 CA ALA A 40 -5.011 22.858 -11.312 1.00 0.00 C ATOM 636 C ALA A 40 -5.644 21.734 -10.501 1.00 0.00 C ATOM 637 O ALA A 40 -5.519 20.579 -10.904 1.00 0.00 O ATOM 638 CB ALA A 40 -5.902 23.255 -12.496 1.00 0.00 C ATOM 0 H ALA A 40 -3.815 21.407 -12.193 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.882 23.756 -10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.851 23.641 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.403 24.025 -13.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.086 22.382 -13.122 1.00 0.00 H new ATOM 644 N GLY A 41 -6.293 22.038 -9.378 1.00 0.00 N ATOM 645 CA GLY A 41 -6.854 21.045 -8.478 1.00 0.00 C ATOM 646 C GLY A 41 -8.354 21.250 -8.461 1.00 0.00 C ATOM 647 O GLY A 41 -8.820 22.268 -7.943 1.00 0.00 O ATOM 0 H GLY A 41 -6.443 22.998 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.607 20.038 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.439 21.156 -7.476 1.00 0.00 H new ATOM 651 N GLU A 42 -9.097 20.315 -9.046 1.00 0.00 N ATOM 652 CA GLU A 42 -10.549 20.303 -9.007 1.00 0.00 C ATOM 653 C GLU A 42 -11.024 19.260 -8.002 1.00 0.00 C ATOM 654 O GLU A 42 -10.372 18.229 -7.808 1.00 0.00 O ATOM 655 CB GLU A 42 -11.148 20.074 -10.402 1.00 0.00 C ATOM 656 CG GLU A 42 -11.275 21.414 -11.132 1.00 0.00 C ATOM 657 CD GLU A 42 -11.949 21.275 -12.512 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.178 21.024 -12.569 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.269 21.461 -13.551 1.00 0.00 O ATOM 0 H GLU A 42 -8.698 19.534 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.902 21.281 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.515 19.395 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.126 19.601 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.852 22.105 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.284 21.851 -11.258 1.00 0.00 H new ATOM 666 N PHE A 43 -12.172 19.517 -7.378 1.00 0.00 N ATOM 667 CA PHE A 43 -12.762 18.625 -6.386 1.00 0.00 C ATOM 668 C PHE A 43 -13.961 17.908 -6.995 1.00 0.00 C ATOM 669 O PHE A 43 -14.737 18.507 -7.747 1.00 0.00 O ATOM 670 CB PHE A 43 -13.144 19.396 -5.115 1.00 0.00 C ATOM 671 CG PHE A 43 -11.957 19.997 -4.382 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.194 19.197 -3.507 1.00 0.00 C ATOM 673 CD2 PHE A 43 -11.599 21.345 -4.587 1.00 0.00 C ATOM 674 CE1 PHE A 43 -10.085 19.742 -2.839 1.00 0.00 C ATOM 675 CE2 PHE A 43 -10.486 21.888 -3.921 1.00 0.00 C ATOM 676 CZ PHE A 43 -9.728 21.088 -3.045 1.00 0.00 C ATOM 0 H PHE A 43 -12.723 20.358 -7.549 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.027 17.876 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.837 20.194 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.674 18.725 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.463 18.163 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -12.180 21.962 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.505 19.127 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.212 22.920 -4.082 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.874 21.506 -2.532 1.00 0.00 H new ATOM 686 N VAL A 44 -14.124 16.630 -6.652 1.00 0.00 N ATOM 687 CA VAL A 44 -15.205 15.766 -7.089 1.00 0.00 C ATOM 688 C VAL A 44 -15.816 15.051 -5.888 1.00 0.00 C ATOM 689 O VAL A 44 -15.223 14.998 -4.806 1.00 0.00 O ATOM 690 CB VAL A 44 -14.688 14.767 -8.145 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.777 15.388 -9.537 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.281 14.209 -7.871 1.00 0.00 C ATOM 0 H VAL A 44 -13.470 16.152 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.987 16.366 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.343 13.898 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.410 14.677 -10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.815 15.639 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.170 16.293 -9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.003 13.516 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.564 15.030 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.277 13.685 -6.915 1.00 0.00 H new ATOM 702 N ASP A 45 -16.982 14.438 -6.100 1.00 0.00 N ATOM 703 CA ASP A 45 -17.702 13.627 -5.111 1.00 0.00 C ATOM 704 C ASP A 45 -17.062 12.232 -4.991 1.00 0.00 C ATOM 705 O ASP A 45 -17.707 11.190 -5.117 1.00 0.00 O ATOM 706 CB ASP A 45 -19.206 13.593 -5.431 1.00 0.00 C ATOM 707 CG ASP A 45 -20.014 12.856 -4.345 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.749 13.063 -3.135 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.961 12.108 -4.694 1.00 0.00 O ATOM 0 H ASP A 45 -17.469 14.493 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.614 14.087 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.578 14.613 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.361 13.103 -6.392 1.00 0.00 H new ATOM 714 N ASP A 46 -15.737 12.235 -4.851 1.00 0.00 N ATOM 715 CA ASP A 46 -14.837 11.088 -4.904 1.00 0.00 C ATOM 716 C ASP A 46 -13.486 11.422 -4.252 1.00 0.00 C ATOM 717 O ASP A 46 -12.855 10.553 -3.647 1.00 0.00 O ATOM 718 CB ASP A 46 -14.609 10.713 -6.374 1.00 0.00 C ATOM 719 CG ASP A 46 -13.556 9.603 -6.520 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.906 8.416 -6.315 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.403 9.920 -6.894 1.00 0.00 O ATOM 0 H ASP A 46 -15.229 13.104 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.286 10.258 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.549 10.383 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.288 11.595 -6.929 1.00 0.00 H new ATOM 726 N GLY A 47 -13.041 12.682 -4.332 1.00 0.00 N ATOM 727 CA GLY A 47 -11.738 13.115 -3.873 1.00 0.00 C ATOM 728 C GLY A 47 -11.344 14.364 -4.654 1.00 0.00 C ATOM 729 O GLY A 47 -12.179 15.246 -4.875 1.00 0.00 O ATOM 0 H GLY A 47 -13.599 13.438 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.764 13.328 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.001 12.326 -4.023 1.00 0.00 H new ATOM 733 N THR A 48 -10.103 14.413 -5.125 1.00 0.00 N ATOM 734 CA THR A 48 -9.548 15.561 -5.827 1.00 0.00 C ATOM 735 C THR A 48 -8.893 15.048 -7.105 1.00 0.00 C ATOM 736 O THR A 48 -8.425 13.908 -7.159 1.00 0.00 O ATOM 737 CB THR A 48 -8.555 16.332 -4.927 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.976 16.328 -3.567 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.357 17.787 -5.366 1.00 0.00 C ATOM 0 H THR A 48 -9.444 13.641 -5.027 1.00 0.00 H new ATOM 0 HA THR A 48 -10.333 16.273 -6.084 1.00 0.00 H new ATOM 0 HB THR A 48 -7.606 15.806 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.581 17.083 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.650 18.276 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.968 17.810 -6.384 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.312 18.311 -5.330 1.00 0.00 H new ATOM 747 N GLU A 49 -8.841 15.883 -8.133 1.00 0.00 N ATOM 748 CA GLU A 49 -8.192 15.605 -9.395 1.00 0.00 C ATOM 749 C GLU A 49 -7.255 16.775 -9.688 1.00 0.00 C ATOM 750 O GLU A 49 -7.704 17.899 -9.917 1.00 0.00 O ATOM 751 CB GLU A 49 -9.232 15.345 -10.500 1.00 0.00 C ATOM 752 CG GLU A 49 -10.002 14.044 -10.216 1.00 0.00 C ATOM 753 CD GLU A 49 -11.032 13.645 -11.297 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.600 14.517 -11.998 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.315 12.428 -11.398 1.00 0.00 O ATOM 0 H GLU A 49 -9.269 16.809 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.600 14.691 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.928 16.182 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.735 15.277 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.284 13.232 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.520 14.147 -9.262 1.00 0.00 H new ATOM 762 N THR A 50 -5.944 16.526 -9.627 1.00 0.00 N ATOM 763 CA THR A 50 -4.925 17.510 -9.969 1.00 0.00 C ATOM 764 C THR A 50 -4.602 17.310 -11.447 1.00 0.00 C ATOM 765 O THR A 50 -3.935 16.334 -11.783 1.00 0.00 O ATOM 766 CB THR A 50 -3.709 17.357 -9.038 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.067 17.728 -7.718 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.507 18.198 -9.484 1.00 0.00 C ATOM 0 H THR A 50 -5.561 15.626 -9.336 1.00 0.00 H new ATOM 0 HA THR A 50 -5.267 18.535 -9.823 1.00 0.00 H new ATOM 0 HB THR A 50 -3.411 16.309 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.291 17.628 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.681 18.049 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.200 17.892 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.785 19.252 -9.496 1.00 0.00 H new ATOM 776 N HIS A 51 -5.078 18.194 -12.319 1.00 0.00 N ATOM 777 CA HIS A 51 -4.945 18.089 -13.768 1.00 0.00 C ATOM 778 C HIS A 51 -3.661 18.767 -14.242 1.00 0.00 C ATOM 779 O HIS A 51 -3.253 19.779 -13.666 1.00 0.00 O ATOM 780 CB HIS A 51 -6.156 18.733 -14.457 1.00 0.00 C ATOM 781 CG HIS A 51 -7.475 18.066 -14.153 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.064 17.055 -14.886 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.339 18.386 -13.139 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.248 16.766 -14.315 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.465 17.557 -13.249 1.00 0.00 N ATOM 0 H HIS A 51 -5.583 19.030 -12.027 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.900 17.032 -14.032 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.215 19.779 -14.158 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.995 18.718 -15.535 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.181 19.144 -12.386 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.929 16.004 -14.664 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.285 17.554 -12.642 1.00 0.00 H new ATOM 793 N PHE A 52 -3.057 18.231 -15.303 1.00 0.00 N ATOM 794 CA PHE A 52 -1.952 18.823 -16.054 1.00 0.00 C ATOM 795 C PHE A 52 -1.932 18.209 -17.466 1.00 0.00 C ATOM 796 O PHE A 52 -2.794 17.397 -17.807 1.00 0.00 O ATOM 797 CB PHE A 52 -0.621 18.650 -15.296 1.00 0.00 C ATOM 798 CG PHE A 52 -0.247 17.254 -14.845 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.714 16.785 -13.602 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.630 16.462 -15.609 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.294 15.541 -13.111 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.048 15.213 -15.111 1.00 0.00 C ATOM 803 CZ PHE A 52 0.594 14.757 -13.862 1.00 0.00 C ATOM 0 H PHE A 52 -3.340 17.327 -15.680 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.093 19.899 -16.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.180 19.023 -15.935 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.651 19.291 -14.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.399 17.387 -13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.980 16.809 -16.570 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.654 15.187 -12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.722 14.602 -15.693 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.929 13.804 -13.481 1.00 0.00 H new ATOM 813 N SER A 53 -0.961 18.583 -18.302 1.00 0.00 N ATOM 814 CA SER A 53 -0.854 18.142 -19.693 1.00 0.00 C ATOM 815 C SER A 53 0.621 18.008 -20.073 1.00 0.00 C ATOM 816 O SER A 53 1.463 18.748 -19.554 1.00 0.00 O ATOM 817 CB SER A 53 -1.554 19.138 -20.635 1.00 0.00 C ATOM 818 OG SER A 53 -2.908 19.363 -20.261 1.00 0.00 O ATOM 0 H SER A 53 -0.211 19.215 -18.024 1.00 0.00 H new ATOM 0 HA SER A 53 -1.345 17.174 -19.794 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.014 20.085 -20.628 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.518 18.758 -21.656 1.00 0.00 H new ATOM 0 HG SER A 53 -3.317 20.002 -20.882 1.00 0.00 H new ATOM 824 N ILE A 54 0.935 17.055 -20.956 1.00 0.00 N ATOM 825 CA ILE A 54 2.283 16.745 -21.419 1.00 0.00 C ATOM 826 C ILE A 54 2.123 16.374 -22.896 1.00 0.00 C ATOM 827 O ILE A 54 1.260 15.560 -23.232 1.00 0.00 O ATOM 828 CB ILE A 54 2.907 15.586 -20.594 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.872 15.850 -19.069 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.366 15.350 -21.039 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.282 14.656 -18.204 1.00 0.00 C ATOM 0 H ILE A 54 0.226 16.457 -21.382 1.00 0.00 H new ATOM 0 HA ILE A 54 2.964 17.587 -21.293 1.00 0.00 H new ATOM 0 HB ILE A 54 2.302 14.700 -20.786 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.532 16.688 -18.844 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.863 16.154 -18.790 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.797 14.536 -20.456 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.386 15.089 -22.097 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.947 16.258 -20.878 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.227 14.934 -17.151 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.608 13.820 -18.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.303 14.362 -18.449 1.00 0.00 H new ATOM 843 N GLY A 55 2.931 16.961 -23.784 1.00 0.00 N ATOM 844 CA GLY A 55 2.795 16.740 -25.221 1.00 0.00 C ATOM 845 C GLY A 55 1.382 17.117 -25.668 1.00 0.00 C ATOM 846 O GLY A 55 0.874 18.178 -25.292 1.00 0.00 O ATOM 0 H GLY A 55 3.688 17.595 -23.528 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.529 17.337 -25.762 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.996 15.695 -25.459 1.00 0.00 H new ATOM 850 N ASN A 56 0.734 16.231 -26.431 1.00 0.00 N ATOM 851 CA ASN A 56 -0.661 16.362 -26.860 1.00 0.00 C ATOM 852 C ASN A 56 -1.598 15.486 -26.010 1.00 0.00 C ATOM 853 O ASN A 56 -2.617 14.999 -26.507 1.00 0.00 O ATOM 854 CB ASN A 56 -0.771 16.079 -28.369 1.00 0.00 C ATOM 855 CG ASN A 56 -2.117 16.515 -28.962 1.00 0.00 C ATOM 856 OD1 ASN A 56 -2.774 17.435 -28.475 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.541 15.897 -30.057 1.00 0.00 N ATOM 0 H ASN A 56 1.178 15.380 -26.776 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.992 17.388 -26.695 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.034 16.596 -28.890 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.631 15.012 -28.545 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.415 16.184 -30.499 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.993 15.135 -30.457 1.00 0.00 H new ATOM 864 N HIS A 57 -1.246 15.227 -24.745 1.00 0.00 N ATOM 865 CA HIS A 57 -1.998 14.376 -23.823 1.00 0.00 C ATOM 866 C HIS A 57 -2.326 15.173 -22.557 1.00 0.00 C ATOM 867 O HIS A 57 -1.545 16.032 -22.137 1.00 0.00 O ATOM 868 CB HIS A 57 -1.184 13.124 -23.452 1.00 0.00 C ATOM 869 CG HIS A 57 -0.632 12.352 -24.628 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.159 11.211 -25.192 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.535 12.623 -25.290 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.323 10.810 -26.170 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.727 11.645 -26.274 1.00 0.00 N ATOM 0 H HIS A 57 -0.403 15.618 -24.324 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.919 14.055 -24.309 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.355 13.424 -22.812 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.816 12.459 -22.864 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.197 13.452 -25.087 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.475 9.937 -26.787 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.503 11.579 -26.933 1.00 0.00 H new ATOM 881 N ASP A 58 -3.455 14.861 -21.921 1.00 0.00 N ATOM 882 CA ASP A 58 -3.797 15.368 -20.596 1.00 0.00 C ATOM 883 C ASP A 58 -3.582 14.262 -19.568 1.00 0.00 C ATOM 884 O ASP A 58 -3.686 13.068 -19.875 1.00 0.00 O ATOM 885 CB ASP A 58 -5.211 15.951 -20.518 1.00 0.00 C ATOM 886 CG ASP A 58 -6.270 14.889 -20.170 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.741 14.184 -21.094 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.645 14.775 -18.979 1.00 0.00 O ATOM 0 H ASP A 58 -4.164 14.243 -22.317 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.134 16.205 -20.375 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.234 16.741 -19.767 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.464 16.411 -21.473 1.00 0.00 H new ATOM 893 N CYS A 59 -3.258 14.670 -18.347 1.00 0.00 N ATOM 894 CA CYS A 59 -2.982 13.806 -17.218 1.00 0.00 C ATOM 895 C CYS A 59 -3.714 14.358 -16.003 1.00 0.00 C ATOM 896 O CYS A 59 -3.913 15.571 -15.903 1.00 0.00 O ATOM 897 CB CYS A 59 -1.481 13.795 -16.888 1.00 0.00 C ATOM 898 SG CYS A 59 -0.428 13.786 -18.367 1.00 0.00 S ATOM 0 H CYS A 59 -3.178 15.659 -18.112 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.306 12.795 -17.466 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.241 14.670 -16.284 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.254 12.918 -16.282 1.00 0.00 H new ATOM 0 HG CYS A 59 0.584 12.992 -18.175 1.00 0.00 H new ATOM 904 N TYR A 60 -4.070 13.510 -15.042 1.00 0.00 N ATOM 905 CA TYR A 60 -4.540 13.993 -13.766 1.00 0.00 C ATOM 906 C TYR A 60 -4.131 13.025 -12.674 1.00 0.00 C ATOM 907 O TYR A 60 -4.134 11.815 -12.880 1.00 0.00 O ATOM 908 CB TYR A 60 -6.040 14.313 -13.788 1.00 0.00 C ATOM 909 CG TYR A 60 -7.017 13.160 -13.932 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.218 12.259 -12.872 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.785 13.028 -15.104 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.168 11.233 -12.980 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.789 12.044 -15.194 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.995 11.145 -14.120 1.00 0.00 C ATOM 915 OH TYR A 60 -9.944 10.164 -14.178 1.00 0.00 O ATOM 0 H TYR A 60 -4.039 12.494 -15.130 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.063 14.948 -13.544 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.281 14.841 -12.865 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.220 15.007 -14.609 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.636 12.358 -11.967 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.603 13.686 -15.941 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.267 10.507 -12.187 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.401 11.976 -16.081 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.434 10.233 -15.024 1.00 0.00 H new ATOM 925 N ILE A 61 -3.783 13.536 -11.498 1.00 0.00 N ATOM 926 CA ILE A 61 -3.593 12.698 -10.325 1.00 0.00 C ATOM 927 C ILE A 61 -4.972 12.620 -9.685 1.00 0.00 C ATOM 928 O ILE A 61 -5.516 13.651 -9.289 1.00 0.00 O ATOM 929 CB ILE A 61 -2.496 13.265 -9.407 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.121 13.076 -10.087 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.499 12.608 -8.011 1.00 0.00 C ATOM 932 CD1 ILE A 61 -0.078 14.053 -9.543 1.00 0.00 C ATOM 0 H ILE A 61 -3.627 14.531 -11.334 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.231 11.697 -10.561 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.698 14.325 -9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.777 12.054 -9.932 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.225 13.218 -11.163 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.706 13.043 -7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.462 12.780 -7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.331 11.536 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.874 13.887 -10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.410 15.076 -9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.046 13.894 -8.472 1.00 0.00 H new ATOM 944 N LYS A 62 -5.541 11.419 -9.606 1.00 0.00 N ATOM 945 CA LYS A 62 -6.752 11.148 -8.851 1.00 0.00 C ATOM 946 C LYS A 62 -6.276 10.944 -7.425 1.00 0.00 C ATOM 947 O LYS A 62 -5.512 10.016 -7.170 1.00 0.00 O ATOM 948 CB LYS A 62 -7.451 9.900 -9.433 1.00 0.00 C ATOM 949 CG LYS A 62 -8.979 10.037 -9.503 1.00 0.00 C ATOM 950 CD LYS A 62 -9.593 8.779 -10.143 1.00 0.00 C ATOM 951 CE LYS A 62 -11.125 8.858 -10.269 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.585 9.701 -11.407 1.00 0.00 N ATOM 0 H LYS A 62 -5.163 10.596 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.489 11.950 -8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.064 9.709 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.198 9.033 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.385 10.181 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.247 10.919 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.159 8.632 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.327 7.907 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.524 7.851 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.538 9.256 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.520 9.374 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.651 10.692 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.906 9.626 -12.191 1.00 0.00 H new ATOM 966 N ALA A 63 -6.682 11.816 -6.515 1.00 0.00 N ATOM 967 CA ALA A 63 -6.445 11.683 -5.097 1.00 0.00 C ATOM 968 C ALA A 63 -7.795 11.317 -4.502 1.00 0.00 C ATOM 969 O ALA A 63 -8.614 12.184 -4.209 1.00 0.00 O ATOM 970 CB ALA A 63 -5.880 12.994 -4.556 1.00 0.00 C ATOM 0 H ALA A 63 -7.201 12.660 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.711 10.919 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.700 12.898 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.943 13.223 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.594 13.798 -4.733 1.00 0.00 H new ATOM 976 N VAL A 64 -8.050 10.022 -4.417 1.00 0.00 N ATOM 977 CA VAL A 64 -9.338 9.449 -4.091 1.00 0.00 C ATOM 978 C VAL A 64 -9.456 9.351 -2.578 1.00 0.00 C ATOM 979 O VAL A 64 -8.642 8.665 -1.966 1.00 0.00 O ATOM 980 CB VAL A 64 -9.439 8.054 -4.741 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.800 7.409 -4.472 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.147 8.091 -6.249 1.00 0.00 C ATOM 0 H VAL A 64 -7.333 9.315 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.149 10.071 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.670 7.439 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.837 6.427 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.945 7.300 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.589 8.039 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.231 7.085 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.865 8.746 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.138 8.468 -6.415 1.00 0.00 H new ATOM 992 N SER A 65 -10.463 9.962 -1.966 1.00 0.00 N ATOM 993 CA SER A 65 -10.696 9.884 -0.531 1.00 0.00 C ATOM 994 C SER A 65 -11.491 8.605 -0.225 1.00 0.00 C ATOM 995 O SER A 65 -12.685 8.660 0.081 1.00 0.00 O ATOM 996 CB SER A 65 -11.390 11.170 -0.059 1.00 0.00 C ATOM 997 OG SER A 65 -10.651 12.319 -0.465 1.00 0.00 O ATOM 0 H SER A 65 -11.149 10.533 -2.460 1.00 0.00 H new ATOM 0 HA SER A 65 -9.760 9.816 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.399 11.216 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.488 11.159 1.027 1.00 0.00 H new ATOM 0 HG SER A 65 -11.109 13.128 -0.157 1.00 0.00 H new ATOM 1003 N SER A 66 -10.858 7.438 -0.389 1.00 0.00 N ATOM 1004 CA SER A 66 -11.532 6.151 -0.279 1.00 0.00 C ATOM 1005 C SER A 66 -11.853 5.826 1.188 1.00 0.00 C ATOM 1006 O SER A 66 -12.956 5.358 1.498 1.00 0.00 O ATOM 1007 CB SER A 66 -10.665 5.066 -0.930 1.00 0.00 C ATOM 1008 OG SER A 66 -9.427 4.930 -0.254 1.00 0.00 O ATOM 0 H SER A 66 -9.863 7.365 -0.602 1.00 0.00 H new ATOM 0 HA SER A 66 -12.484 6.192 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.197 4.115 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.487 5.317 -1.976 1.00 0.00 H new ATOM 0 HG SER A 66 -8.962 4.132 -0.581 1.00 0.00 H new ATOM 1014 N GLY A 67 -10.901 6.082 2.092 1.00 0.00 N ATOM 1015 CA GLY A 67 -11.019 5.772 3.508 1.00 0.00 C ATOM 1016 C GLY A 67 -11.842 6.821 4.250 1.00 0.00 C ATOM 1017 O GLY A 67 -11.909 7.983 3.839 1.00 0.00 O ATOM 0 H GLY A 67 -10.012 6.519 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.484 4.793 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.025 5.710 3.951 1.00 0.00 H new ATOM 1021 N LYS A 68 -12.443 6.411 5.375 1.00 0.00 N ATOM 1022 CA LYS A 68 -13.160 7.321 6.276 1.00 0.00 C ATOM 1023 C LYS A 68 -12.191 8.065 7.200 1.00 0.00 C ATOM 1024 O LYS A 68 -12.526 9.145 7.691 1.00 0.00 O ATOM 1025 CB LYS A 68 -14.213 6.543 7.087 1.00 0.00 C ATOM 1026 CG LYS A 68 -15.262 5.800 6.239 1.00 0.00 C ATOM 1027 CD LYS A 68 -16.082 6.722 5.322 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.187 5.919 4.614 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.017 6.765 3.714 1.00 0.00 N ATOM 0 H LYS A 68 -12.445 5.439 5.685 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.672 8.070 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.701 5.820 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.728 7.239 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.758 5.050 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.941 5.266 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.526 7.528 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.429 7.186 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.733 5.115 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.828 5.452 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.746 6.178 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.473 7.518 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.412 7.191 2.983 1.00 0.00 H new ATOM 1043 N ARG A 69 -11.005 7.499 7.464 1.00 0.00 N ATOM 1044 CA ARG A 69 -9.946 8.179 8.216 1.00 0.00 C ATOM 1045 C ARG A 69 -9.429 9.353 7.386 1.00 0.00 C ATOM 1046 O ARG A 69 -9.427 9.288 6.155 1.00 0.00 O ATOM 1047 CB ARG A 69 -8.803 7.203 8.559 1.00 0.00 C ATOM 1048 CG ARG A 69 -9.178 6.012 9.461 1.00 0.00 C ATOM 1049 CD ARG A 69 -9.577 6.394 10.895 1.00 0.00 C ATOM 1050 NE ARG A 69 -10.974 6.864 10.993 1.00 0.00 N ATOM 1051 CZ ARG A 69 -11.515 7.492 12.049 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -10.785 7.756 13.132 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -12.796 7.856 12.017 1.00 0.00 N ATOM 0 H ARG A 69 -10.755 6.558 7.162 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.350 8.550 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.394 6.812 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.006 7.765 9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.004 5.471 9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.332 5.326 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.442 5.531 11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.909 7.175 11.258 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.580 6.697 10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.804 7.480 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.208 8.234 13.928 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.362 7.657 11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.211 8.333 12.817 1.00 0.00 H new ATOM 1067 N LYS A 70 -8.936 10.398 8.062 1.00 0.00 N ATOM 1068 CA LYS A 70 -8.491 11.648 7.436 1.00 0.00 C ATOM 1069 C LYS A 70 -7.469 11.381 6.335 1.00 0.00 C ATOM 1070 O LYS A 70 -7.614 11.888 5.228 1.00 0.00 O ATOM 1071 CB LYS A 70 -7.937 12.579 8.538 1.00 0.00 C ATOM 1072 CG LYS A 70 -7.208 13.852 8.064 1.00 0.00 C ATOM 1073 CD LYS A 70 -8.000 14.686 7.048 1.00 0.00 C ATOM 1074 CE LYS A 70 -7.348 16.065 6.873 1.00 0.00 C ATOM 1075 NZ LYS A 70 -8.092 16.923 5.913 1.00 0.00 N ATOM 0 H LYS A 70 -8.834 10.398 9.077 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.333 12.141 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.766 12.880 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.249 12.003 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.983 14.473 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.254 13.567 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.035 14.168 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.030 14.802 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.297 16.566 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.323 15.938 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.615 17.843 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.120 16.460 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.063 17.067 6.257 1.00 0.00 H new ATOM 1089 N GLU A 71 -6.447 10.577 6.625 1.00 0.00 N ATOM 1090 CA GLU A 71 -5.308 10.398 5.729 1.00 0.00 C ATOM 1091 C GLU A 71 -5.577 9.325 4.653 1.00 0.00 C ATOM 1092 O GLU A 71 -4.662 8.937 3.925 1.00 0.00 O ATOM 1093 CB GLU A 71 -4.037 10.116 6.553 1.00 0.00 C ATOM 1094 CG GLU A 71 -3.680 11.271 7.501 1.00 0.00 C ATOM 1095 CD GLU A 71 -2.368 10.995 8.255 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -2.405 10.350 9.334 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -1.288 11.433 7.790 1.00 0.00 O ATOM 0 H GLU A 71 -6.386 10.033 7.486 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.149 11.324 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.180 9.205 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.202 9.935 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.586 12.195 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.488 11.419 8.217 1.00 0.00 H new ATOM 1104 N GLY A 72 -6.815 8.824 4.549 1.00 0.00 N ATOM 1105 CA GLY A 72 -7.210 7.675 3.739 1.00 0.00 C ATOM 1106 C GLY A 72 -7.337 7.966 2.238 1.00 0.00 C ATOM 1107 O GLY A 72 -8.312 7.531 1.624 1.00 0.00 O ATOM 0 H GLY A 72 -7.602 9.232 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.480 6.879 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.166 7.300 4.105 1.00 0.00 H new ATOM 1111 N ILE A 73 -6.411 8.734 1.656 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.418 9.101 0.250 1.00 0.00 C ATOM 1113 C ILE A 73 -5.579 8.076 -0.534 1.00 0.00 C ATOM 1114 O ILE A 73 -4.475 7.726 -0.100 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.915 10.552 0.057 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.898 11.619 0.582 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.695 10.892 -1.426 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -7.139 11.634 2.085 1.00 0.00 C ATOM 0 H ILE A 73 -5.620 9.124 2.168 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.436 9.079 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.985 10.580 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.528 12.600 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.857 11.476 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.342 11.919 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.952 10.215 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.635 10.783 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.847 12.425 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.546 10.673 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.197 11.815 2.603 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.052 7.645 -1.709 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.287 6.854 -2.670 1.00 0.00 C ATOM 1132 C ILE A 74 -4.863 7.832 -3.762 1.00 0.00 C ATOM 1133 O ILE A 74 -5.730 8.440 -4.387 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.119 5.674 -3.220 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -6.689 4.799 -2.087 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -5.314 4.827 -4.222 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -5.654 4.094 -1.202 1.00 0.00 C ATOM 0 H ILE A 74 -7.002 7.844 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.415 6.389 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.963 6.106 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.317 5.424 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.337 4.042 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.934 4.007 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.007 5.451 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.430 4.422 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.166 3.507 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.040 3.435 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.019 4.838 -0.721 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.561 7.995 -4.001 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.060 8.819 -5.098 1.00 0.00 C ATOM 1151 C HIS A 75 -2.759 7.902 -6.285 1.00 0.00 C ATOM 1152 O HIS A 75 -1.979 6.958 -6.141 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.819 9.608 -4.651 1.00 0.00 C ATOM 1154 CG HIS A 75 -2.114 10.673 -3.624 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.114 10.523 -2.253 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.412 11.984 -3.883 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.404 11.718 -1.704 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.604 12.642 -2.662 1.00 0.00 N ATOM 0 H HIS A 75 -2.828 7.561 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.807 9.554 -5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.086 8.913 -4.241 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.362 10.074 -5.524 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.927 9.659 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.486 12.434 -4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.467 11.908 -0.643 1.00 0.00 H new ATOM 1166 N THR A 76 -3.332 8.198 -7.451 1.00 0.00 N ATOM 1167 CA THR A 76 -3.078 7.483 -8.699 1.00 0.00 C ATOM 1168 C THR A 76 -2.826 8.502 -9.797 1.00 0.00 C ATOM 1169 O THR A 76 -3.465 9.550 -9.789 1.00 0.00 O ATOM 1170 CB THR A 76 -4.281 6.595 -9.080 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.846 5.947 -7.949 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.852 5.527 -10.088 1.00 0.00 C ATOM 0 H THR A 76 -4.002 8.960 -7.555 1.00 0.00 H new ATOM 0 HA THR A 76 -2.209 6.838 -8.572 1.00 0.00 H new ATOM 0 HB THR A 76 -5.033 7.252 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.605 5.396 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.710 4.907 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.466 6.009 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.074 4.903 -9.648 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.954 8.206 -10.762 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.822 9.023 -11.958 1.00 0.00 C ATOM 1182 C LEU A 77 -2.722 8.422 -13.023 1.00 0.00 C ATOM 1183 O LEU A 77 -2.686 7.220 -13.252 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.357 9.079 -12.410 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.150 9.815 -13.743 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.464 11.311 -13.618 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.296 9.644 -14.213 1.00 0.00 C ATOM 0 H LEU A 77 -1.328 7.401 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.125 10.052 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.234 9.571 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.024 8.062 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.836 9.379 -14.470 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.306 11.798 -14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.502 11.441 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.193 11.760 -12.873 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.436 10.168 -15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.973 10.057 -13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.511 8.584 -14.351 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.520 9.246 -13.681 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.282 8.911 -14.863 1.00 0.00 C ATOM 1201 C ILE A 78 -3.644 9.717 -16.003 1.00 0.00 C ATOM 1202 O ILE A 78 -3.269 10.875 -15.800 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.781 9.223 -14.640 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.553 8.089 -13.931 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.509 9.545 -15.952 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.030 7.744 -12.539 1.00 0.00 C ATOM 0 H ILE A 78 -3.658 10.213 -13.388 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.253 7.849 -15.106 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.774 10.098 -13.990 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.602 8.375 -13.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.513 7.195 -14.553 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.558 9.757 -15.744 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.049 10.416 -16.419 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.438 8.691 -16.626 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.629 6.939 -12.114 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.990 7.424 -12.610 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.096 8.623 -11.897 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.540 9.146 -17.204 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.082 9.824 -18.407 1.00 0.00 C ATOM 1220 C VAL A 79 -3.978 9.371 -19.549 1.00 0.00 C ATOM 1221 O VAL A 79 -4.215 8.173 -19.688 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.597 9.520 -18.680 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.072 10.300 -19.893 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.730 9.838 -17.456 1.00 0.00 C ATOM 0 H VAL A 79 -3.781 8.168 -17.366 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.150 10.906 -18.293 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.531 8.454 -18.896 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.021 10.059 -20.054 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.646 10.026 -20.778 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.175 11.370 -19.710 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.313 9.613 -17.680 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.827 10.894 -17.206 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.058 9.233 -16.611 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.498 10.310 -20.342 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.441 10.041 -21.432 1.00 0.00 C ATOM 1236 C ASP A 80 -6.598 9.133 -20.976 1.00 0.00 C ATOM 1237 O ASP A 80 -7.000 8.201 -21.673 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.703 9.543 -22.685 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.632 9.434 -23.911 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.474 10.339 -24.129 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.473 8.473 -24.703 1.00 0.00 O ATOM 0 H ASP A 80 -4.271 11.300 -20.243 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.918 10.978 -21.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.882 10.223 -22.914 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.261 8.568 -22.480 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.096 9.382 -19.755 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.147 8.622 -19.058 1.00 0.00 C ATOM 1248 C ASN A 81 -7.763 7.181 -18.657 1.00 0.00 C ATOM 1249 O ASN A 81 -8.573 6.484 -18.043 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.477 8.711 -19.841 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.688 8.206 -19.052 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.235 7.141 -19.335 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.160 8.970 -18.076 1.00 0.00 N ATOM 0 H ASN A 81 -6.757 10.164 -19.195 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.284 9.105 -18.090 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.649 9.747 -20.131 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.387 8.133 -20.761 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.984 8.676 -17.552 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.699 9.851 -17.850 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.534 6.718 -18.925 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.033 5.414 -18.502 1.00 0.00 C ATOM 1262 C ARG A 82 -5.367 5.548 -17.151 1.00 0.00 C ATOM 1263 O ARG A 82 -4.757 6.573 -16.866 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.040 4.848 -19.529 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.757 4.231 -20.726 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.387 5.234 -21.693 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.945 4.579 -22.891 1.00 0.00 N ATOM 1268 CZ ARG A 82 -7.691 5.188 -23.822 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -7.966 6.487 -23.726 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.174 4.486 -24.844 1.00 0.00 N ATOM 0 H ARG A 82 -5.849 7.257 -19.455 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.872 4.722 -18.429 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.378 5.643 -19.872 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.413 4.095 -19.052 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.046 3.615 -21.278 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.538 3.565 -20.358 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.177 5.783 -21.180 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.636 5.964 -21.997 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.748 3.587 -23.020 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.608 7.027 -22.939 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.535 6.942 -24.440 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.976 3.488 -24.916 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.743 4.946 -25.555 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.453 4.502 -16.341 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.902 4.478 -14.997 1.00 0.00 C ATOM 1286 C GLU A 83 -3.459 3.963 -15.036 1.00 0.00 C ATOM 1287 O GLU A 83 -3.177 2.957 -15.691 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.828 3.648 -14.100 1.00 0.00 C ATOM 1289 CG GLU A 83 -5.333 3.594 -12.656 1.00 0.00 C ATOM 1290 CD GLU A 83 -6.303 2.795 -11.764 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.308 3.368 -11.279 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -6.063 1.583 -11.542 1.00 0.00 O ATOM 0 H GLU A 83 -5.916 3.632 -16.606 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.853 5.480 -14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.831 4.074 -14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.902 2.635 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.345 3.136 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.227 4.607 -12.267 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.557 4.653 -14.332 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.121 4.401 -14.300 1.00 0.00 C ATOM 1301 C ILE A 84 -0.750 4.045 -12.844 1.00 0.00 C ATOM 1302 O ILE A 84 -0.858 4.908 -11.965 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.360 5.648 -14.830 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.884 6.211 -16.171 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.144 5.367 -14.931 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.864 5.243 -17.359 1.00 0.00 C ATOM 0 H ILE A 84 -2.826 5.440 -13.741 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.837 3.571 -14.947 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.550 6.425 -14.090 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.908 6.553 -16.023 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.290 7.087 -16.431 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.656 6.254 -15.304 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.533 5.111 -13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.314 4.536 -15.615 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.253 5.746 -18.244 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.159 4.918 -17.547 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.484 4.376 -17.132 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.324 2.803 -12.552 1.00 0.00 N ATOM 1319 CA PRO A 85 0.128 2.400 -11.223 1.00 0.00 C ATOM 1320 C PRO A 85 1.541 2.932 -10.933 1.00 0.00 C ATOM 1321 O PRO A 85 2.316 3.183 -11.861 1.00 0.00 O ATOM 1322 CB PRO A 85 0.081 0.870 -11.233 1.00 0.00 C ATOM 1323 CG PRO A 85 0.375 0.523 -12.693 1.00 0.00 C ATOM 1324 CD PRO A 85 -0.283 1.667 -13.464 1.00 0.00 C ATOM 0 HA PRO A 85 -0.501 2.810 -10.433 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.822 0.440 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.893 0.495 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.446 0.471 -12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.046 -0.444 -12.970 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.286 1.909 -14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.287 1.391 -13.788 1.00 0.00 H new ATOM 1332 N GLU A 86 1.882 3.097 -9.647 1.00 0.00 N ATOM 1333 CA GLU A 86 3.205 3.551 -9.210 1.00 0.00 C ATOM 1334 C GLU A 86 4.308 2.590 -9.704 1.00 0.00 C ATOM 1335 O GLU A 86 4.048 1.432 -10.056 1.00 0.00 O ATOM 1336 CB GLU A 86 3.238 3.759 -7.688 1.00 0.00 C ATOM 1337 CG GLU A 86 3.553 2.505 -6.878 1.00 0.00 C ATOM 1338 CD GLU A 86 3.356 2.747 -5.372 1.00 0.00 C ATOM 1339 OE1 GLU A 86 4.309 3.201 -4.692 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.252 2.459 -4.848 1.00 0.00 O ATOM 0 H GLU A 86 1.239 2.917 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 86 3.408 4.521 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.982 4.521 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.272 4.148 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.910 1.688 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.581 2.196 -7.067 1.00 0.00 H new ATOM 1347 N ILE A 87 5.549 3.073 -9.708 1.00 0.00 N ATOM 1348 CA ILE A 87 6.719 2.332 -10.169 1.00 0.00 C ATOM 1349 C ILE A 87 6.969 1.072 -9.322 1.00 0.00 C ATOM 1350 O ILE A 87 6.687 1.040 -8.120 1.00 0.00 O ATOM 1351 CB ILE A 87 7.968 3.240 -10.196 1.00 0.00 C ATOM 1352 CG1 ILE A 87 8.189 3.996 -8.875 1.00 0.00 C ATOM 1353 CG2 ILE A 87 7.906 4.188 -11.406 1.00 0.00 C ATOM 1354 CD1 ILE A 87 9.612 4.548 -8.724 1.00 0.00 C ATOM 0 H ILE A 87 5.773 4.013 -9.383 1.00 0.00 H new ATOM 0 HA ILE A 87 6.516 2.000 -11.187 1.00 0.00 H new ATOM 0 HB ILE A 87 8.841 2.597 -10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.478 4.820 -8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.976 3.327 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.791 4.824 -11.416 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.869 3.603 -12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.013 4.810 -11.336 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.701 5.070 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.327 3.725 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.822 5.242 -9.538 1.00 0.00 H new ATOM 1366 N ALA A 88 7.561 0.055 -9.954 1.00 0.00 N ATOM 1367 CA ALA A 88 8.078 -1.139 -9.301 1.00 0.00 C ATOM 1368 C ALA A 88 9.414 -1.474 -9.964 1.00 0.00 C ATOM 1369 O ALA A 88 9.443 -1.948 -11.105 1.00 0.00 O ATOM 1370 CB ALA A 88 7.077 -2.291 -9.430 1.00 0.00 C ATOM 0 H ALA A 88 7.695 0.045 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 88 8.227 -0.972 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.477 -3.177 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.135 -2.009 -8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.906 -2.508 -10.484 1.00 0.00 H new ATOM 1376 N SER A 89 10.511 -1.185 -9.265 1.00 0.00 N ATOM 1377 CA SER A 89 11.855 -1.512 -9.723 1.00 0.00 C ATOM 1378 C SER A 89 12.032 -3.035 -9.756 1.00 0.00 C ATOM 1379 O SER A 89 11.580 -3.726 -8.812 1.00 0.00 O ATOM 1380 CB SER A 89 12.902 -0.854 -8.818 1.00 0.00 C ATOM 1381 OG SER A 89 12.631 0.537 -8.653 1.00 0.00 O ATOM 1382 OXT SER A 89 12.629 -3.545 -10.732 1.00 0.00 O ATOM 0 H SER A 89 10.489 -0.715 -8.360 1.00 0.00 H new ATOM 0 HA SER A 89 11.996 -1.125 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.908 -1.345 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.895 -0.987 -9.248 1.00 0.00 H new ATOM 0 HG SER A 89 13.311 0.936 -8.071 1.00 0.00 H new TER 1388 SER A 89