USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 49 ASN : amide:sc= -7.26! C(o=-11!,f=-20!) USER MOD Set 1.2: A 51 ASN : amide:sc= -3.86! K(o=-11!,f=-4.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -2:sc= 1.72 USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= -0.072 (180deg=-0.634) USER MOD Single : A 12 ASN : amide:sc= -13! C(o=-13!,f=-10!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 20 SER OG : rot -160:sc= -0.359 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.112) USER MOD Single : A 30 GLN : amide:sc= -8.8! C(o=-8.8!,f=-7.6!) USER MOD Single : A 33 GLN : amide:sc= 0.0733 X(o=0.073,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.612 K(o=-0.61,f=-4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0073 USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= -0.208 (180deg=-1.43!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc=-0.00369 (180deg=-0.146) USER MOD Single : A 65 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.088) USER MOD Single : A 70 THR OG1 : rot 80:sc= -2.02! USER MOD Single : A 71 SER OG : rot 10:sc= 0.724 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.994 -7.647 8.520 1.00 0.00 N ATOM 2 CA MET A 1 8.653 -7.078 7.186 1.00 0.00 C ATOM 3 C MET A 1 7.316 -6.339 7.272 1.00 0.00 C ATOM 4 O MET A 1 6.376 -6.653 6.569 1.00 0.00 O ATOM 5 CB MET A 1 8.547 -8.209 6.160 1.00 0.00 C ATOM 6 CG MET A 1 8.539 -7.619 4.749 1.00 0.00 C ATOM 7 SD MET A 1 10.190 -6.994 4.347 1.00 0.00 S ATOM 8 CE MET A 1 9.942 -6.826 2.562 1.00 0.00 C ATOM 0 H1 MET A 1 9.903 -8.149 8.461 1.00 0.00 H new ATOM 0 H2 MET A 1 9.068 -6.878 9.217 1.00 0.00 H new ATOM 0 H3 MET A 1 8.250 -8.311 8.815 1.00 0.00 H new ATOM 0 HA MET A 1 9.433 -6.381 6.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.385 -8.897 6.273 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.637 -8.785 6.330 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.241 -8.379 4.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.808 -6.813 4.684 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.855 -6.447 2.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.698 -7.799 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.124 -6.131 2.372 1.00 0.00 H new ATOM 20 N GLU A 2 7.222 -5.358 8.130 1.00 0.00 N ATOM 21 CA GLU A 2 5.946 -4.597 8.264 1.00 0.00 C ATOM 22 C GLU A 2 5.942 -3.429 7.275 1.00 0.00 C ATOM 23 O GLU A 2 6.828 -2.598 7.278 1.00 0.00 O ATOM 24 CB GLU A 2 5.827 -4.055 9.691 1.00 0.00 C ATOM 25 CG GLU A 2 5.743 -5.223 10.677 1.00 0.00 C ATOM 26 CD GLU A 2 4.405 -5.944 10.505 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.399 -5.390 10.917 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.409 -7.037 9.965 1.00 0.00 O ATOM 0 H GLU A 2 7.976 -5.051 8.745 1.00 0.00 H new ATOM 0 HA GLU A 2 5.104 -5.256 8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.687 -3.428 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.941 -3.426 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.566 -5.917 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.842 -4.857 11.699 1.00 0.00 H new ATOM 35 N LEU A 3 4.951 -3.361 6.427 1.00 0.00 N ATOM 36 CA LEU A 3 4.890 -2.247 5.437 1.00 0.00 C ATOM 37 C LEU A 3 3.453 -2.103 4.928 1.00 0.00 C ATOM 38 O LEU A 3 2.719 -3.066 4.829 1.00 0.00 O ATOM 39 CB LEU A 3 5.826 -2.556 4.260 1.00 0.00 C ATOM 40 CG LEU A 3 5.881 -1.364 3.287 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.658 -0.193 3.911 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.576 -1.810 1.996 1.00 0.00 C ATOM 0 H LEU A 3 4.181 -4.028 6.377 1.00 0.00 H new ATOM 0 HA LEU A 3 5.203 -1.317 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.827 -2.776 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.478 -3.446 3.735 1.00 0.00 H new ATOM 0 HG LEU A 3 4.866 -1.030 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.686 0.640 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.164 0.123 4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.676 -0.511 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.621 -0.973 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.587 -2.146 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.015 -2.628 1.545 1.00 0.00 H new ATOM 54 N TRP A 4 3.049 -0.902 4.603 1.00 0.00 N ATOM 55 CA TRP A 4 1.663 -0.676 4.092 1.00 0.00 C ATOM 56 C TRP A 4 1.713 0.369 2.977 1.00 0.00 C ATOM 57 O TRP A 4 2.705 1.049 2.805 1.00 0.00 O ATOM 58 CB TRP A 4 0.775 -0.175 5.235 1.00 0.00 C ATOM 59 CG TRP A 4 0.806 -1.169 6.351 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.853 -1.365 7.188 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.232 -2.103 6.768 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.530 -2.364 8.087 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.257 -2.853 7.874 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.539 -2.378 6.300 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.523 -3.839 8.493 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.327 -3.369 6.923 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.819 -4.098 8.016 1.00 0.00 C ATOM 0 H TRP A 4 3.624 -0.062 4.670 1.00 0.00 H new ATOM 0 HA TRP A 4 1.251 -1.607 3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.126 0.795 5.586 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.247 -0.036 4.884 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.789 -0.827 7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.156 -2.699 8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.936 -1.826 5.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.131 -4.396 9.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.324 -3.569 6.560 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.426 -4.857 8.488 1.00 0.00 H new ATOM 78 N VAL A 5 0.657 0.499 2.210 1.00 0.00 N ATOM 79 CA VAL A 5 0.651 1.499 1.094 1.00 0.00 C ATOM 80 C VAL A 5 -0.685 2.253 1.081 1.00 0.00 C ATOM 81 O VAL A 5 -1.216 2.613 2.113 1.00 0.00 O ATOM 82 CB VAL A 5 0.843 0.765 -0.241 1.00 0.00 C ATOM 83 CG1 VAL A 5 1.352 1.746 -1.313 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.859 -0.368 -0.053 1.00 0.00 C ATOM 0 H VAL A 5 -0.201 -0.044 2.308 1.00 0.00 H new ATOM 0 HA VAL A 5 1.461 2.213 1.239 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.112 0.351 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.485 1.217 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.626 2.548 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.305 2.169 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.999 -0.892 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.811 0.048 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.490 -1.067 0.698 1.00 0.00 H new ATOM 94 N SER A 6 -1.229 2.501 -0.084 1.00 0.00 N ATOM 95 CA SER A 6 -2.524 3.238 -0.162 1.00 0.00 C ATOM 96 C SER A 6 -3.149 3.028 -1.562 1.00 0.00 C ATOM 97 O SER A 6 -2.426 2.802 -2.512 1.00 0.00 O ATOM 98 CB SER A 6 -2.250 4.728 0.069 1.00 0.00 C ATOM 99 OG SER A 6 -2.123 4.969 1.464 1.00 0.00 O ATOM 0 H SER A 6 -0.832 2.225 -0.982 1.00 0.00 H new ATOM 0 HA SER A 6 -3.217 2.869 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.338 5.027 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.062 5.327 -0.343 1.00 0.00 H new ATOM 0 HG SER A 6 -2.270 4.134 1.955 1.00 0.00 H new ATOM 105 N PRO A 7 -4.468 3.110 -1.666 1.00 0.00 N ATOM 106 CA PRO A 7 -5.153 2.928 -2.967 1.00 0.00 C ATOM 107 C PRO A 7 -4.590 3.895 -4.023 1.00 0.00 C ATOM 108 O PRO A 7 -4.250 3.499 -5.120 1.00 0.00 O ATOM 109 CB PRO A 7 -6.645 3.226 -2.678 1.00 0.00 C ATOM 110 CG PRO A 7 -6.770 3.564 -1.163 1.00 0.00 C ATOM 111 CD PRO A 7 -5.375 3.381 -0.527 1.00 0.00 C ATOM 0 HA PRO A 7 -5.009 1.925 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.994 4.060 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.264 2.365 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.122 4.587 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.498 2.910 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.069 4.274 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.371 2.556 0.186 1.00 0.00 H new ATOM 119 N LYS A 8 -4.513 5.157 -3.707 1.00 0.00 N ATOM 120 CA LYS A 8 -3.999 6.148 -4.699 1.00 0.00 C ATOM 121 C LYS A 8 -2.589 5.762 -5.155 1.00 0.00 C ATOM 122 O LYS A 8 -2.148 6.149 -6.219 1.00 0.00 O ATOM 123 CB LYS A 8 -3.963 7.534 -4.055 1.00 0.00 C ATOM 124 CG LYS A 8 -2.972 7.531 -2.889 1.00 0.00 C ATOM 125 CD LYS A 8 -3.139 8.814 -2.073 1.00 0.00 C ATOM 126 CE LYS A 8 -2.145 8.813 -0.910 1.00 0.00 C ATOM 127 NZ LYS A 8 -0.754 8.830 -1.443 1.00 0.00 N ATOM 0 H LYS A 8 -4.783 5.548 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.660 6.158 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.671 8.282 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.957 7.808 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.142 6.660 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.952 7.457 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.972 9.685 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.158 8.886 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.312 9.682 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.297 7.930 -0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.184 9.512 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.336 7.882 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.770 9.109 -2.445 1.00 0.00 H new ATOM 141 N GLU A 9 -1.877 5.006 -4.367 1.00 0.00 N ATOM 142 CA GLU A 9 -0.496 4.604 -4.767 1.00 0.00 C ATOM 143 C GLU A 9 -0.559 3.364 -5.659 1.00 0.00 C ATOM 144 O GLU A 9 0.328 3.110 -6.444 1.00 0.00 O ATOM 145 CB GLU A 9 0.317 4.276 -3.518 1.00 0.00 C ATOM 146 CG GLU A 9 0.579 5.556 -2.722 1.00 0.00 C ATOM 147 CD GLU A 9 1.505 5.245 -1.545 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.621 4.818 -1.791 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.082 5.438 -0.417 1.00 0.00 O ATOM 0 H GLU A 9 -2.189 4.649 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.027 5.423 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.221 3.556 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.262 3.811 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.032 6.310 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.362 5.970 -2.359 1.00 0.00 H new ATOM 156 N LEU A 10 -1.598 2.586 -5.535 1.00 0.00 N ATOM 157 CA LEU A 10 -1.719 1.354 -6.368 1.00 0.00 C ATOM 158 C LEU A 10 -2.292 1.717 -7.740 1.00 0.00 C ATOM 159 O LEU A 10 -2.143 0.985 -8.699 1.00 0.00 O ATOM 160 CB LEU A 10 -2.659 0.369 -5.669 1.00 0.00 C ATOM 161 CG LEU A 10 -2.072 -0.052 -4.312 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.136 -0.818 -3.521 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.838 -0.951 -4.517 1.00 0.00 C ATOM 0 H LEU A 10 -2.372 2.750 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.736 0.900 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.637 0.829 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.810 -0.509 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.769 0.839 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.726 -1.120 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.003 -0.177 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.438 -1.704 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.434 -1.241 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.127 -1.844 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.079 -0.405 -5.078 1.00 0.00 H new ATOM 175 N ALA A 11 -2.963 2.833 -7.831 1.00 0.00 N ATOM 176 CA ALA A 11 -3.563 3.259 -9.131 1.00 0.00 C ATOM 177 C ALA A 11 -2.474 3.534 -10.184 1.00 0.00 C ATOM 178 O ALA A 11 -2.650 4.376 -11.043 1.00 0.00 O ATOM 179 CB ALA A 11 -4.382 4.533 -8.912 1.00 0.00 C ATOM 0 H ALA A 11 -3.123 3.474 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.200 2.453 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.823 4.849 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.175 4.336 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.733 5.322 -8.532 1.00 0.00 H new ATOM 185 N ASN A 12 -1.349 2.859 -10.136 1.00 0.00 N ATOM 186 CA ASN A 12 -0.280 3.135 -11.152 1.00 0.00 C ATOM 187 C ASN A 12 0.537 1.869 -11.452 1.00 0.00 C ATOM 188 O ASN A 12 1.356 1.861 -12.349 1.00 0.00 O ATOM 189 CB ASN A 12 0.654 4.216 -10.609 1.00 0.00 C ATOM 190 CG ASN A 12 1.123 3.812 -9.214 1.00 0.00 C ATOM 191 OD1 ASN A 12 1.779 4.574 -8.534 1.00 0.00 O ATOM 192 ND2 ASN A 12 0.808 2.632 -8.756 1.00 0.00 N ATOM 0 H ASN A 12 -1.126 2.139 -9.449 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.755 3.467 -12.075 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.510 4.342 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.137 5.175 -10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.113 2.348 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.257 1.993 -9.329 1.00 0.00 H new ATOM 199 N LEU A 13 0.329 0.799 -10.730 1.00 0.00 N ATOM 200 CA LEU A 13 1.112 -0.440 -11.020 1.00 0.00 C ATOM 201 C LEU A 13 0.491 -1.123 -12.257 1.00 0.00 C ATOM 202 O LEU A 13 -0.701 -1.023 -12.452 1.00 0.00 O ATOM 203 CB LEU A 13 1.039 -1.387 -9.813 1.00 0.00 C ATOM 204 CG LEU A 13 1.371 -0.625 -8.520 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.522 -1.622 -7.365 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.684 0.151 -8.691 1.00 0.00 C ATOM 0 H LEU A 13 -0.339 0.728 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 13 2.156 -0.194 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.042 -1.821 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.738 -2.213 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 13 0.564 0.075 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.757 -1.083 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.590 -2.171 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.326 -2.322 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.912 0.688 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.492 -0.546 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.582 0.863 -9.510 1.00 0.00 H new ATOM 218 N PRO A 14 1.294 -1.786 -13.076 1.00 0.00 N ATOM 219 CA PRO A 14 0.765 -2.451 -14.286 1.00 0.00 C ATOM 220 C PRO A 14 -0.319 -3.478 -13.917 1.00 0.00 C ATOM 221 O PRO A 14 -1.478 -3.318 -14.247 1.00 0.00 O ATOM 222 CB PRO A 14 1.993 -3.138 -14.934 1.00 0.00 C ATOM 223 CG PRO A 14 3.208 -2.909 -13.988 1.00 0.00 C ATOM 224 CD PRO A 14 2.755 -1.933 -12.880 1.00 0.00 C ATOM 0 HA PRO A 14 0.290 -1.746 -14.968 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.809 -4.204 -15.071 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.191 -2.719 -15.921 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.541 -3.853 -13.555 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.052 -2.497 -14.541 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.983 -2.326 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.264 -0.973 -12.967 1.00 0.00 H new ATOM 232 N GLY A 15 0.058 -4.535 -13.254 1.00 0.00 N ATOM 233 CA GLY A 15 -0.932 -5.588 -12.876 1.00 0.00 C ATOM 234 C GLY A 15 -2.215 -4.948 -12.335 1.00 0.00 C ATOM 235 O GLY A 15 -3.301 -5.458 -12.529 1.00 0.00 O ATOM 0 H GLY A 15 1.016 -4.718 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.164 -6.205 -13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.501 -6.247 -12.122 1.00 0.00 H new ATOM 239 N LEU A 16 -2.099 -3.843 -11.652 1.00 0.00 N ATOM 240 CA LEU A 16 -3.311 -3.171 -11.086 1.00 0.00 C ATOM 241 C LEU A 16 -3.790 -2.076 -12.063 1.00 0.00 C ATOM 242 O LEU A 16 -2.977 -1.502 -12.759 1.00 0.00 O ATOM 243 CB LEU A 16 -2.923 -2.529 -9.750 1.00 0.00 C ATOM 244 CG LEU A 16 -2.164 -3.543 -8.887 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.926 -2.941 -7.502 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.987 -4.831 -8.749 1.00 0.00 C ATOM 0 H LEU A 16 -1.215 -3.372 -11.459 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.113 -3.895 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.302 -1.650 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.817 -2.189 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.210 -3.778 -9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.386 -3.657 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.338 -2.028 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.884 -2.708 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.442 -5.547 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.943 -4.603 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.161 -5.259 -9.736 1.00 0.00 H new ATOM 258 N PRO A 17 -5.083 -1.794 -12.100 1.00 0.00 N ATOM 259 CA PRO A 17 -5.606 -0.749 -13.001 1.00 0.00 C ATOM 260 C PRO A 17 -4.848 0.568 -12.767 1.00 0.00 C ATOM 261 O PRO A 17 -3.922 0.629 -11.982 1.00 0.00 O ATOM 262 CB PRO A 17 -7.106 -0.619 -12.641 1.00 0.00 C ATOM 263 CG PRO A 17 -7.410 -1.669 -11.533 1.00 0.00 C ATOM 264 CD PRO A 17 -6.113 -2.467 -11.276 1.00 0.00 C ATOM 0 HA PRO A 17 -5.477 -0.995 -14.055 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.330 0.388 -12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.728 -0.795 -13.518 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.743 -1.176 -10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.213 -2.335 -11.847 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.844 -2.455 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.228 -3.512 -11.563 1.00 0.00 H new ATOM 272 N LYS A 18 -5.233 1.617 -13.451 1.00 0.00 N ATOM 273 CA LYS A 18 -4.538 2.934 -13.284 1.00 0.00 C ATOM 274 C LYS A 18 -5.390 3.869 -12.421 1.00 0.00 C ATOM 275 O LYS A 18 -5.040 5.013 -12.207 1.00 0.00 O ATOM 276 CB LYS A 18 -4.332 3.570 -14.661 1.00 0.00 C ATOM 277 CG LYS A 18 -3.811 2.511 -15.639 1.00 0.00 C ATOM 278 CD LYS A 18 -3.199 3.198 -16.861 1.00 0.00 C ATOM 279 CE LYS A 18 -4.284 3.981 -17.604 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.792 4.343 -18.964 1.00 0.00 N ATOM 0 H LYS A 18 -6.002 1.619 -14.121 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.576 2.774 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.271 3.987 -15.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.623 4.395 -14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.065 1.885 -15.149 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.625 1.855 -15.948 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.399 3.870 -16.551 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.753 2.456 -17.523 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.191 3.382 -17.681 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.543 4.882 -17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.529 4.875 -19.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.938 4.930 -18.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.566 3.477 -19.493 1.00 0.00 H new ATOM 294 N THR A 19 -6.505 3.392 -11.926 1.00 0.00 N ATOM 295 CA THR A 19 -7.392 4.247 -11.074 1.00 0.00 C ATOM 296 C THR A 19 -7.720 3.499 -9.781 1.00 0.00 C ATOM 297 O THR A 19 -8.110 2.349 -9.800 1.00 0.00 O ATOM 298 CB THR A 19 -8.687 4.544 -11.832 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.529 3.400 -11.796 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.362 4.895 -13.285 1.00 0.00 C ATOM 0 H THR A 19 -6.842 2.441 -12.076 1.00 0.00 H new ATOM 0 HA THR A 19 -6.885 5.183 -10.837 1.00 0.00 H new ATOM 0 HB THR A 19 -9.197 5.386 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.360 3.590 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.286 5.106 -13.824 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.717 5.774 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.851 4.056 -13.757 1.00 0.00 H new ATOM 308 N SER A 20 -7.566 4.144 -8.658 1.00 0.00 N ATOM 309 CA SER A 20 -7.869 3.468 -7.366 1.00 0.00 C ATOM 310 C SER A 20 -9.275 2.872 -7.424 1.00 0.00 C ATOM 311 O SER A 20 -9.553 1.854 -6.823 1.00 0.00 O ATOM 312 CB SER A 20 -7.793 4.487 -6.227 1.00 0.00 C ATOM 313 OG SER A 20 -8.514 3.992 -5.106 1.00 0.00 O ATOM 0 H SER A 20 -7.244 5.109 -8.579 1.00 0.00 H new ATOM 0 HA SER A 20 -7.143 2.674 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.753 4.668 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.209 5.442 -6.549 1.00 0.00 H new ATOM 0 HG SER A 20 -8.742 4.735 -4.509 1.00 0.00 H new ATOM 319 N ALA A 21 -10.163 3.496 -8.145 1.00 0.00 N ATOM 320 CA ALA A 21 -11.549 2.960 -8.241 1.00 0.00 C ATOM 321 C ALA A 21 -11.493 1.504 -8.701 1.00 0.00 C ATOM 322 O ALA A 21 -12.300 0.685 -8.306 1.00 0.00 O ATOM 323 CB ALA A 21 -12.349 3.786 -9.250 1.00 0.00 C ATOM 0 H ALA A 21 -9.990 4.352 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.033 3.018 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.363 3.393 -9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.384 4.825 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.870 3.729 -10.228 1.00 0.00 H new ATOM 329 N GLY A 22 -10.542 1.175 -9.530 1.00 0.00 N ATOM 330 CA GLY A 22 -10.427 -0.228 -10.015 1.00 0.00 C ATOM 331 C GLY A 22 -9.728 -1.077 -8.952 1.00 0.00 C ATOM 332 O GLY A 22 -10.062 -2.227 -8.745 1.00 0.00 O ATOM 0 H GLY A 22 -9.839 1.818 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.416 -0.633 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.864 -0.257 -10.948 1.00 0.00 H new ATOM 336 N VAL A 23 -8.764 -0.519 -8.270 1.00 0.00 N ATOM 337 CA VAL A 23 -8.052 -1.299 -7.218 1.00 0.00 C ATOM 338 C VAL A 23 -9.024 -1.623 -6.086 1.00 0.00 C ATOM 339 O VAL A 23 -9.291 -2.772 -5.794 1.00 0.00 O ATOM 340 CB VAL A 23 -6.888 -0.476 -6.663 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.202 -1.262 -5.544 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.886 -0.196 -7.785 1.00 0.00 C ATOM 0 H VAL A 23 -8.440 0.440 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.668 -2.222 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.260 0.469 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.372 -0.679 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.919 -1.463 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.826 -2.205 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.055 0.390 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.510 -1.139 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.379 0.361 -8.582 1.00 0.00 H new ATOM 352 N ILE A 24 -9.563 -0.620 -5.447 1.00 0.00 N ATOM 353 CA ILE A 24 -10.523 -0.875 -4.337 1.00 0.00 C ATOM 354 C ILE A 24 -11.569 -1.888 -4.814 1.00 0.00 C ATOM 355 O ILE A 24 -11.951 -2.788 -4.093 1.00 0.00 O ATOM 356 CB ILE A 24 -11.197 0.444 -3.937 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.109 1.468 -3.588 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.097 0.219 -2.715 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.743 2.741 -3.018 1.00 0.00 C ATOM 0 H ILE A 24 -9.380 0.364 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.002 -1.278 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.805 0.811 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.417 1.041 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.528 1.710 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.573 1.159 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.863 -0.517 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.495 -0.145 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.960 3.460 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.416 3.175 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.304 2.496 -2.116 1.00 0.00 H new ATOM 371 N TYR A 25 -12.019 -1.756 -6.032 1.00 0.00 N ATOM 372 CA TYR A 25 -13.021 -2.721 -6.564 1.00 0.00 C ATOM 373 C TYR A 25 -12.400 -4.119 -6.593 1.00 0.00 C ATOM 374 O TYR A 25 -13.040 -5.101 -6.295 1.00 0.00 O ATOM 375 CB TYR A 25 -13.422 -2.307 -7.981 1.00 0.00 C ATOM 376 CG TYR A 25 -14.524 -3.210 -8.479 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.855 -2.984 -8.077 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.223 -4.277 -9.347 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.884 -3.824 -8.542 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.251 -5.119 -9.811 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.581 -4.892 -9.410 1.00 0.00 C ATOM 382 OH TYR A 25 -17.590 -5.717 -9.866 1.00 0.00 O ATOM 0 H TYR A 25 -11.736 -1.022 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.905 -2.726 -5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.757 -1.270 -7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.560 -2.367 -8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.086 -2.165 -7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.203 -4.449 -9.657 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.904 -3.650 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.019 -5.939 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.211 -6.402 -10.456 1.00 0.00 H new ATOM 392 N VAL A 26 -11.152 -4.208 -6.956 1.00 0.00 N ATOM 393 CA VAL A 26 -10.468 -5.534 -7.006 1.00 0.00 C ATOM 394 C VAL A 26 -10.096 -5.977 -5.586 1.00 0.00 C ATOM 395 O VAL A 26 -9.698 -7.102 -5.359 1.00 0.00 O ATOM 396 CB VAL A 26 -9.205 -5.401 -7.865 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.343 -6.661 -7.746 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.615 -5.208 -9.325 1.00 0.00 C ATOM 0 H VAL A 26 -10.570 -3.414 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.131 -6.282 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.627 -4.545 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.450 -6.551 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.051 -6.805 -6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.913 -7.525 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.723 -5.112 -9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.196 -6.069 -9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.219 -4.305 -9.417 1.00 0.00 H new ATOM 408 N ALA A 27 -10.210 -5.099 -4.628 1.00 0.00 N ATOM 409 CA ALA A 27 -9.847 -5.471 -3.230 1.00 0.00 C ATOM 410 C ALA A 27 -10.712 -6.638 -2.745 1.00 0.00 C ATOM 411 O ALA A 27 -10.244 -7.509 -2.042 1.00 0.00 O ATOM 412 CB ALA A 27 -10.054 -4.268 -2.308 1.00 0.00 C ATOM 0 H ALA A 27 -10.538 -4.141 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.800 -5.775 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.788 -4.542 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.422 -3.443 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.099 -3.960 -2.341 1.00 0.00 H new ATOM 418 N LYS A 28 -11.968 -6.669 -3.101 1.00 0.00 N ATOM 419 CA LYS A 28 -12.831 -7.795 -2.635 1.00 0.00 C ATOM 420 C LYS A 28 -12.466 -9.067 -3.411 1.00 0.00 C ATOM 421 O LYS A 28 -12.634 -10.168 -2.925 1.00 0.00 O ATOM 422 CB LYS A 28 -14.324 -7.446 -2.839 1.00 0.00 C ATOM 423 CG LYS A 28 -14.481 -6.443 -3.996 1.00 0.00 C ATOM 424 CD LYS A 28 -14.326 -4.998 -3.476 1.00 0.00 C ATOM 425 CE LYS A 28 -15.672 -4.475 -2.955 1.00 0.00 C ATOM 426 NZ LYS A 28 -15.435 -3.332 -2.027 1.00 0.00 N ATOM 0 H LYS A 28 -12.430 -5.974 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.664 -7.964 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.891 -8.352 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.735 -7.023 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.733 -6.643 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.458 -6.566 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.583 -4.968 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.962 -4.353 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.298 -4.157 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.209 -5.271 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.346 -2.977 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.853 -3.650 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.940 -2.570 -2.534 1.00 0.00 H new ATOM 440 N LYS A 29 -11.967 -8.928 -4.610 1.00 0.00 N ATOM 441 CA LYS A 29 -11.592 -10.136 -5.398 1.00 0.00 C ATOM 442 C LYS A 29 -10.463 -10.874 -4.674 1.00 0.00 C ATOM 443 O LYS A 29 -10.042 -11.941 -5.074 1.00 0.00 O ATOM 444 CB LYS A 29 -11.123 -9.714 -6.796 1.00 0.00 C ATOM 445 CG LYS A 29 -12.333 -9.320 -7.668 1.00 0.00 C ATOM 446 CD LYS A 29 -12.909 -10.558 -8.369 1.00 0.00 C ATOM 447 CE LYS A 29 -14.182 -10.171 -9.127 1.00 0.00 C ATOM 448 NZ LYS A 29 -15.303 -10.004 -8.160 1.00 0.00 N ATOM 0 H LYS A 29 -11.804 -8.035 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.455 -10.794 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.433 -8.874 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.577 -10.532 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.100 -8.854 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.030 -8.581 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.174 -10.973 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.131 -11.333 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.022 -9.245 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.430 -10.939 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.204 -9.960 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.319 -10.811 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.169 -9.124 -7.622 1.00 0.00 H new ATOM 462 N GLN A 30 -9.979 -10.309 -3.600 1.00 0.00 N ATOM 463 CA GLN A 30 -8.883 -10.958 -2.819 1.00 0.00 C ATOM 464 C GLN A 30 -9.050 -10.569 -1.349 1.00 0.00 C ATOM 465 O GLN A 30 -9.254 -11.407 -0.492 1.00 0.00 O ATOM 466 CB GLN A 30 -7.517 -10.468 -3.323 1.00 0.00 C ATOM 467 CG GLN A 30 -7.161 -11.138 -4.661 1.00 0.00 C ATOM 468 CD GLN A 30 -7.868 -10.417 -5.809 1.00 0.00 C ATOM 469 OE1 GLN A 30 -8.365 -11.045 -6.722 1.00 0.00 O ATOM 470 NE2 GLN A 30 -7.930 -9.115 -5.802 1.00 0.00 N ATOM 0 H GLN A 30 -10.299 -9.416 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.933 -12.040 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.536 -9.385 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.749 -10.691 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.082 -11.113 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.456 -12.187 -4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.512 -8.589 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.396 -8.623 -6.564 1.00 0.00 H new ATOM 479 N GLY A 31 -8.984 -9.297 -1.055 1.00 0.00 N ATOM 480 CA GLY A 31 -9.160 -8.833 0.355 1.00 0.00 C ATOM 481 C GLY A 31 -7.802 -8.691 1.044 1.00 0.00 C ATOM 482 O GLY A 31 -7.540 -9.325 2.047 1.00 0.00 O ATOM 0 H GLY A 31 -8.815 -8.555 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.683 -7.877 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.780 -9.542 0.903 1.00 0.00 H new ATOM 486 N TRP A 32 -6.937 -7.858 0.530 1.00 0.00 N ATOM 487 CA TRP A 32 -5.612 -7.686 1.187 1.00 0.00 C ATOM 488 C TRP A 32 -5.821 -7.070 2.572 1.00 0.00 C ATOM 489 O TRP A 32 -6.562 -6.120 2.732 1.00 0.00 O ATOM 490 CB TRP A 32 -4.716 -6.766 0.351 1.00 0.00 C ATOM 491 CG TRP A 32 -4.802 -7.138 -1.092 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.531 -8.362 -1.598 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.124 -6.286 -2.230 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.701 -8.330 -2.971 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.059 -7.071 -3.412 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.473 -4.921 -2.350 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.331 -6.521 -4.673 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.745 -4.363 -3.617 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.674 -5.162 -4.775 1.00 0.00 C ATOM 0 H TRP A 32 -7.089 -7.295 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.128 -8.658 1.277 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.021 -5.728 0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.684 -6.842 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.230 -9.226 -1.023 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.577 -9.137 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.532 -4.302 -1.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.277 -7.137 -5.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.009 -3.319 -3.699 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.883 -4.730 -5.742 1.00 0.00 H new ATOM 510 N GLN A 33 -5.180 -7.603 3.574 1.00 0.00 N ATOM 511 CA GLN A 33 -5.350 -7.047 4.946 1.00 0.00 C ATOM 512 C GLN A 33 -5.172 -5.528 4.912 1.00 0.00 C ATOM 513 O GLN A 33 -4.066 -5.025 4.888 1.00 0.00 O ATOM 514 CB GLN A 33 -4.306 -7.661 5.880 1.00 0.00 C ATOM 515 CG GLN A 33 -4.502 -7.110 7.294 1.00 0.00 C ATOM 516 CD GLN A 33 -3.636 -7.901 8.276 1.00 0.00 C ATOM 517 OE1 GLN A 33 -4.072 -8.891 8.828 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.417 -7.501 8.520 1.00 0.00 N ATOM 0 H GLN A 33 -4.546 -8.399 3.503 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.349 -7.286 5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.400 -8.747 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.302 -7.430 5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.233 -6.054 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.551 -7.180 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.051 -6.670 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.831 -8.020 9.174 1.00 0.00 H new ATOM 527 N ASN A 34 -6.256 -4.794 4.913 1.00 0.00 N ATOM 528 CA ASN A 34 -6.171 -3.298 4.887 1.00 0.00 C ATOM 529 C ASN A 34 -6.466 -2.746 6.285 1.00 0.00 C ATOM 530 O ASN A 34 -7.526 -2.968 6.836 1.00 0.00 O ATOM 531 CB ASN A 34 -7.210 -2.749 3.899 1.00 0.00 C ATOM 532 CG ASN A 34 -8.504 -3.556 4.025 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.767 -4.150 5.051 1.00 0.00 O ATOM 534 ND2 ASN A 34 -9.330 -3.601 3.015 1.00 0.00 N ATOM 0 H ASN A 34 -7.205 -5.168 4.931 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.171 -2.995 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.403 -1.696 4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.828 -2.810 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.196 -4.135 3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.109 -3.102 2.153 1.00 0.00 H new ATOM 541 N ARG A 35 -5.548 -2.014 6.858 1.00 0.00 N ATOM 542 CA ARG A 35 -5.797 -1.437 8.212 1.00 0.00 C ATOM 543 C ARG A 35 -6.562 -0.123 8.048 1.00 0.00 C ATOM 544 O ARG A 35 -6.109 0.789 7.386 1.00 0.00 O ATOM 545 CB ARG A 35 -4.464 -1.165 8.919 1.00 0.00 C ATOM 546 CG ARG A 35 -4.726 -0.632 10.336 1.00 0.00 C ATOM 547 CD ARG A 35 -3.401 -0.250 10.994 1.00 0.00 C ATOM 548 NE ARG A 35 -2.412 -1.370 10.847 1.00 0.00 N ATOM 549 CZ ARG A 35 -2.661 -2.571 11.299 1.00 0.00 C ATOM 550 NH1 ARG A 35 -3.706 -2.797 12.047 1.00 0.00 N ATOM 551 NH2 ARG A 35 -1.827 -3.541 11.045 1.00 0.00 N ATOM 0 H ARG A 35 -4.640 -1.791 6.450 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.377 -2.140 8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.874 -2.080 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.881 -0.441 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.385 0.235 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.234 -1.390 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.006 0.657 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.560 -0.031 12.050 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.522 -1.189 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.338 -2.033 12.284 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.891 -3.738 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.986 -3.360 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.016 -4.480 11.395 1.00 0.00 H new ATOM 565 N THR A 36 -7.724 -0.017 8.640 1.00 0.00 N ATOM 566 CA THR A 36 -8.522 1.241 8.510 1.00 0.00 C ATOM 567 C THR A 36 -8.231 2.157 9.702 1.00 0.00 C ATOM 568 O THR A 36 -7.766 1.727 10.739 1.00 0.00 O ATOM 569 CB THR A 36 -10.031 0.894 8.478 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.184 -0.495 8.228 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.744 1.686 7.372 1.00 0.00 C ATOM 0 H THR A 36 -8.155 -0.746 9.208 1.00 0.00 H new ATOM 0 HA THR A 36 -8.248 1.751 7.587 1.00 0.00 H new ATOM 0 HB THR A 36 -10.473 1.156 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.137 -0.721 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.803 1.429 7.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.631 2.754 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.304 1.438 6.406 1.00 0.00 H new ATOM 579 N ARG A 37 -8.529 3.415 9.555 1.00 0.00 N ATOM 580 CA ARG A 37 -8.309 4.386 10.660 1.00 0.00 C ATOM 581 C ARG A 37 -9.393 5.460 10.564 1.00 0.00 C ATOM 582 O ARG A 37 -10.230 5.436 9.684 1.00 0.00 O ATOM 583 CB ARG A 37 -6.915 5.030 10.517 1.00 0.00 C ATOM 584 CG ARG A 37 -5.861 4.192 11.264 1.00 0.00 C ATOM 585 CD ARG A 37 -6.101 4.249 12.793 1.00 0.00 C ATOM 586 NE ARG A 37 -4.804 4.486 13.507 1.00 0.00 N ATOM 587 CZ ARG A 37 -3.729 3.799 13.213 1.00 0.00 C ATOM 588 NH1 ARG A 37 -3.787 2.812 12.362 1.00 0.00 N ATOM 589 NH2 ARG A 37 -2.598 4.084 13.798 1.00 0.00 N ATOM 0 H ARG A 37 -8.921 3.818 8.704 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.360 3.884 11.626 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.648 5.107 9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.933 6.044 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.903 3.158 10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.863 4.564 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.807 5.046 13.029 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.548 3.315 13.134 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.758 5.197 14.237 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.674 2.571 11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.945 2.282 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.554 4.840 14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.758 3.551 13.572 1.00 0.00 H new ATOM 603 N ALA A 38 -9.383 6.398 11.460 1.00 0.00 N ATOM 604 CA ALA A 38 -10.412 7.474 11.422 1.00 0.00 C ATOM 605 C ALA A 38 -9.968 8.629 12.317 1.00 0.00 C ATOM 606 O ALA A 38 -10.473 8.815 13.407 1.00 0.00 O ATOM 607 CB ALA A 38 -11.746 6.920 11.925 1.00 0.00 C ATOM 0 H ALA A 38 -8.707 6.470 12.220 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.531 7.831 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.500 7.707 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.060 6.094 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.629 6.564 12.949 1.00 0.00 H new ATOM 613 N GLY A 39 -9.024 9.407 11.863 1.00 0.00 N ATOM 614 CA GLY A 39 -8.544 10.552 12.684 1.00 0.00 C ATOM 615 C GLY A 39 -7.376 11.240 11.975 1.00 0.00 C ATOM 616 O GLY A 39 -7.154 12.424 12.135 1.00 0.00 O ATOM 0 H GLY A 39 -8.565 9.298 10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.355 11.263 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.230 10.201 13.667 1.00 0.00 H new ATOM 620 N VAL A 40 -6.628 10.511 11.193 1.00 0.00 N ATOM 621 CA VAL A 40 -5.479 11.127 10.478 1.00 0.00 C ATOM 622 C VAL A 40 -5.971 12.314 9.649 1.00 0.00 C ATOM 623 O VAL A 40 -5.199 13.154 9.230 1.00 0.00 O ATOM 624 CB VAL A 40 -4.841 10.088 9.557 1.00 0.00 C ATOM 625 CG1 VAL A 40 -4.078 9.061 10.396 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.933 9.378 8.753 1.00 0.00 C ATOM 0 H VAL A 40 -6.764 9.515 11.019 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.741 11.474 11.202 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.151 10.584 8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.623 8.320 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.299 9.565 10.968 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.767 8.565 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.478 8.637 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.623 8.882 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.477 10.108 8.154 1.00 0.00 H new ATOM 636 N LYS A 41 -7.251 12.392 9.413 1.00 0.00 N ATOM 637 CA LYS A 41 -7.795 13.525 8.613 1.00 0.00 C ATOM 638 C LYS A 41 -9.293 13.661 8.883 1.00 0.00 C ATOM 639 O LYS A 41 -9.733 14.570 9.558 1.00 0.00 O ATOM 640 CB LYS A 41 -7.562 13.256 7.124 1.00 0.00 C ATOM 641 CG LYS A 41 -8.264 14.335 6.289 1.00 0.00 C ATOM 642 CD LYS A 41 -7.723 14.328 4.845 1.00 0.00 C ATOM 643 CE LYS A 41 -6.474 15.211 4.742 1.00 0.00 C ATOM 644 NZ LYS A 41 -6.815 16.603 5.153 1.00 0.00 N ATOM 0 H LYS A 41 -7.945 11.719 9.740 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.290 14.449 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.494 13.253 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.944 12.270 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.339 14.158 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.105 15.315 6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.482 13.308 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.490 14.689 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.683 14.816 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.094 15.205 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.196 17.274 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.807 16.803 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.680 16.705 6.179 1.00 0.00 H new ATOM 658 N GLY A 42 -10.080 12.761 8.361 1.00 0.00 N ATOM 659 CA GLY A 42 -11.555 12.830 8.584 1.00 0.00 C ATOM 660 C GLY A 42 -12.282 12.231 7.380 1.00 0.00 C ATOM 661 O GLY A 42 -12.879 12.935 6.590 1.00 0.00 O ATOM 0 H GLY A 42 -9.766 11.978 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.822 12.287 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.863 13.865 8.730 1.00 0.00 H new ATOM 665 N GLY A 43 -12.239 10.935 7.231 1.00 0.00 N ATOM 666 CA GLY A 43 -12.931 10.297 6.076 1.00 0.00 C ATOM 667 C GLY A 43 -12.558 8.814 6.007 1.00 0.00 C ATOM 668 O GLY A 43 -12.508 8.228 4.944 1.00 0.00 O ATOM 0 H GLY A 43 -11.756 10.292 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.010 10.406 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.649 10.797 5.149 1.00 0.00 H new ATOM 672 N LYS A 44 -12.296 8.202 7.130 1.00 0.00 N ATOM 673 CA LYS A 44 -11.928 6.759 7.122 1.00 0.00 C ATOM 674 C LYS A 44 -10.713 6.551 6.216 1.00 0.00 C ATOM 675 O LYS A 44 -10.835 6.431 5.013 1.00 0.00 O ATOM 676 CB LYS A 44 -13.107 5.934 6.603 1.00 0.00 C ATOM 677 CG LYS A 44 -14.400 6.422 7.262 1.00 0.00 C ATOM 678 CD LYS A 44 -15.557 5.504 6.862 1.00 0.00 C ATOM 679 CE LYS A 44 -16.824 5.921 7.611 1.00 0.00 C ATOM 680 NZ LYS A 44 -17.993 5.176 7.063 1.00 0.00 N ATOM 0 H LYS A 44 -12.321 8.639 8.051 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.684 6.438 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.181 6.027 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.950 4.878 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.287 6.430 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.612 7.446 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.723 5.559 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.310 4.468 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.714 5.715 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.983 6.995 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.855 5.459 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.101 5.394 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.840 4.154 7.182 1.00 0.00 H new ATOM 694 N ALA A 45 -9.540 6.513 6.786 1.00 0.00 N ATOM 695 CA ALA A 45 -8.307 6.321 5.967 1.00 0.00 C ATOM 696 C ALA A 45 -8.015 4.824 5.820 1.00 0.00 C ATOM 697 O ALA A 45 -7.668 4.153 6.772 1.00 0.00 O ATOM 698 CB ALA A 45 -7.130 7.003 6.668 1.00 0.00 C ATOM 0 H ALA A 45 -9.381 6.607 7.789 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.452 6.758 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.225 6.867 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.337 8.068 6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.988 6.561 7.654 1.00 0.00 H new ATOM 704 N ILE A 46 -8.148 4.294 4.630 1.00 0.00 N ATOM 705 CA ILE A 46 -7.875 2.839 4.421 1.00 0.00 C ATOM 706 C ILE A 46 -6.404 2.645 4.053 1.00 0.00 C ATOM 707 O ILE A 46 -5.747 3.549 3.575 1.00 0.00 O ATOM 708 CB ILE A 46 -8.749 2.306 3.283 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.501 0.802 3.113 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.394 3.038 1.986 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.539 0.204 2.157 1.00 0.00 C ATOM 0 H ILE A 46 -8.434 4.805 3.795 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.102 2.297 5.339 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.800 2.474 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.497 0.632 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.557 0.304 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.015 2.661 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.570 4.106 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.344 2.869 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.355 -0.864 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.539 0.359 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.462 0.692 1.185 1.00 0.00 H new ATOM 723 N GLU A 47 -5.885 1.467 4.268 1.00 0.00 N ATOM 724 CA GLU A 47 -4.456 1.187 3.931 1.00 0.00 C ATOM 725 C GLU A 47 -4.364 -0.215 3.328 1.00 0.00 C ATOM 726 O GLU A 47 -5.310 -0.976 3.371 1.00 0.00 O ATOM 727 CB GLU A 47 -3.610 1.255 5.207 1.00 0.00 C ATOM 728 CG GLU A 47 -3.359 2.718 5.579 1.00 0.00 C ATOM 729 CD GLU A 47 -2.366 3.334 4.592 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.183 3.078 4.735 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.807 4.054 3.710 1.00 0.00 O ATOM 0 H GLU A 47 -6.393 0.678 4.667 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.086 1.924 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.122 0.745 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.661 0.740 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.296 3.274 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.967 2.784 6.594 1.00 0.00 H new ATOM 738 N TYR A 48 -3.236 -0.562 2.764 1.00 0.00 N ATOM 739 CA TYR A 48 -3.078 -1.921 2.153 1.00 0.00 C ATOM 740 C TYR A 48 -1.731 -2.512 2.570 1.00 0.00 C ATOM 741 O TYR A 48 -0.699 -1.886 2.440 1.00 0.00 O ATOM 742 CB TYR A 48 -3.135 -1.799 0.628 1.00 0.00 C ATOM 743 CG TYR A 48 -4.560 -1.534 0.198 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.554 -2.510 0.412 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.897 -0.310 -0.414 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.881 -2.264 0.012 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.225 -0.066 -0.812 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.216 -1.041 -0.599 1.00 0.00 C ATOM 749 OH TYR A 48 -8.518 -0.800 -0.990 1.00 0.00 O ATOM 0 H TYR A 48 -2.413 0.038 2.699 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.881 -2.574 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.486 -0.990 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.768 -2.715 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.297 -3.447 0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.137 0.440 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.642 -3.013 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.483 0.872 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.703 0.161 -0.938 1.00 0.00 H new ATOM 759 N ASN A 49 -1.737 -3.717 3.072 1.00 0.00 N ATOM 760 CA ASN A 49 -0.462 -4.355 3.503 1.00 0.00 C ATOM 761 C ASN A 49 0.319 -4.811 2.267 1.00 0.00 C ATOM 762 O ASN A 49 -0.089 -5.706 1.553 1.00 0.00 O ATOM 763 CB ASN A 49 -0.782 -5.558 4.393 1.00 0.00 C ATOM 764 CG ASN A 49 0.515 -6.264 4.787 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.316 -6.603 3.942 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.755 -6.503 6.048 1.00 0.00 N ATOM 0 H ASN A 49 -2.572 -4.288 3.202 1.00 0.00 H new ATOM 0 HA ASN A 49 0.142 -3.642 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.315 -5.231 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.438 -6.250 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.617 -6.975 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.081 -6.218 6.758 1.00 0.00 H new ATOM 773 N ALA A 50 1.435 -4.185 2.004 1.00 0.00 N ATOM 774 CA ALA A 50 2.251 -4.552 0.809 1.00 0.00 C ATOM 775 C ALA A 50 2.591 -6.047 0.823 1.00 0.00 C ATOM 776 O ALA A 50 2.731 -6.666 -0.213 1.00 0.00 O ATOM 777 CB ALA A 50 3.546 -3.741 0.819 1.00 0.00 C ATOM 0 H ALA A 50 1.820 -3.429 2.570 1.00 0.00 H new ATOM 0 HA ALA A 50 1.675 -4.333 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.147 -4.004 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.309 -2.677 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.107 -3.962 1.727 1.00 0.00 H new ATOM 783 N ASN A 51 2.735 -6.632 1.979 1.00 0.00 N ATOM 784 CA ASN A 51 3.078 -8.081 2.036 1.00 0.00 C ATOM 785 C ASN A 51 1.896 -8.910 1.525 1.00 0.00 C ATOM 786 O ASN A 51 2.039 -10.067 1.184 1.00 0.00 O ATOM 787 CB ASN A 51 3.400 -8.474 3.482 1.00 0.00 C ATOM 788 CG ASN A 51 4.193 -7.349 4.148 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.290 -7.034 3.731 1.00 0.00 O ATOM 790 ND2 ASN A 51 3.682 -6.725 5.173 1.00 0.00 N ATOM 0 H ASN A 51 2.631 -6.172 2.884 1.00 0.00 H new ATOM 0 HA ASN A 51 3.948 -8.273 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.479 -8.661 4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.975 -9.400 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.203 -5.973 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.761 -6.989 5.524 1.00 0.00 H new ATOM 797 N SER A 52 0.730 -8.325 1.467 1.00 0.00 N ATOM 798 CA SER A 52 -0.464 -9.076 0.977 1.00 0.00 C ATOM 799 C SER A 52 -0.607 -8.887 -0.538 1.00 0.00 C ATOM 800 O SER A 52 -1.320 -9.619 -1.197 1.00 0.00 O ATOM 801 CB SER A 52 -1.713 -8.545 1.680 1.00 0.00 C ATOM 802 OG SER A 52 -1.743 -9.037 3.013 1.00 0.00 O ATOM 0 H SER A 52 0.552 -7.358 1.738 1.00 0.00 H new ATOM 0 HA SER A 52 -0.343 -10.137 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.708 -7.455 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.608 -8.859 1.143 1.00 0.00 H new ATOM 0 HG SER A 52 -2.541 -8.698 3.469 1.00 0.00 H new ATOM 808 N LEU A 53 0.060 -7.912 -1.097 1.00 0.00 N ATOM 809 CA LEU A 53 -0.046 -7.685 -2.567 1.00 0.00 C ATOM 810 C LEU A 53 0.602 -8.872 -3.308 1.00 0.00 C ATOM 811 O LEU A 53 1.536 -9.457 -2.794 1.00 0.00 O ATOM 812 CB LEU A 53 0.698 -6.395 -2.936 1.00 0.00 C ATOM 813 CG LEU A 53 -0.065 -5.163 -2.422 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.768 -3.907 -2.704 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.435 -5.042 -3.129 1.00 0.00 C ATOM 0 H LEU A 53 0.672 -7.265 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.095 -7.598 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.701 -6.412 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.813 -6.332 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.234 -5.269 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.234 -3.028 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.728 -3.985 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.935 -3.814 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.962 -4.165 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.282 -4.941 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.028 -5.935 -2.929 1.00 0.00 H new ATOM 827 N PRO A 54 0.116 -9.202 -4.494 1.00 0.00 N ATOM 828 CA PRO A 54 0.694 -10.317 -5.265 1.00 0.00 C ATOM 829 C PRO A 54 2.188 -10.057 -5.503 1.00 0.00 C ATOM 830 O PRO A 54 2.821 -9.310 -4.784 1.00 0.00 O ATOM 831 CB PRO A 54 -0.098 -10.337 -6.598 1.00 0.00 C ATOM 832 CG PRO A 54 -1.097 -9.145 -6.562 1.00 0.00 C ATOM 833 CD PRO A 54 -1.019 -8.516 -5.155 1.00 0.00 C ATOM 0 HA PRO A 54 0.620 -11.275 -4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.578 -10.246 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.630 -11.281 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.844 -8.409 -7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.110 -9.487 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.852 -7.440 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.947 -8.666 -4.603 1.00 0.00 H new ATOM 841 N VAL A 55 2.752 -10.670 -6.509 1.00 0.00 N ATOM 842 CA VAL A 55 4.201 -10.465 -6.804 1.00 0.00 C ATOM 843 C VAL A 55 4.354 -9.364 -7.857 1.00 0.00 C ATOM 844 O VAL A 55 5.248 -8.543 -7.791 1.00 0.00 O ATOM 845 CB VAL A 55 4.786 -11.763 -7.357 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.303 -11.621 -7.501 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.470 -12.914 -6.398 1.00 0.00 C ATOM 0 H VAL A 55 2.269 -11.307 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 55 4.723 -10.178 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 55 4.347 -11.971 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.719 -12.548 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.529 -10.802 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.743 -11.412 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.887 -13.841 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.908 -12.705 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.390 -13.017 -6.296 1.00 0.00 H new ATOM 857 N GLU A 56 3.490 -9.350 -8.837 1.00 0.00 N ATOM 858 CA GLU A 56 3.579 -8.316 -9.909 1.00 0.00 C ATOM 859 C GLU A 56 3.451 -6.916 -9.303 1.00 0.00 C ATOM 860 O GLU A 56 4.171 -6.006 -9.665 1.00 0.00 O ATOM 861 CB GLU A 56 2.452 -8.533 -10.920 1.00 0.00 C ATOM 862 CG GLU A 56 2.493 -9.976 -11.428 1.00 0.00 C ATOM 863 CD GLU A 56 1.377 -10.187 -12.454 1.00 0.00 C ATOM 864 OE1 GLU A 56 0.232 -10.279 -12.044 1.00 0.00 O ATOM 865 OE2 GLU A 56 1.687 -10.253 -13.632 1.00 0.00 O ATOM 0 H GLU A 56 2.723 -10.014 -8.941 1.00 0.00 H new ATOM 0 HA GLU A 56 4.545 -8.403 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.488 -8.327 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.559 -7.839 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.462 -10.186 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.373 -10.670 -10.596 1.00 0.00 H new ATOM 872 N ALA A 57 2.542 -6.732 -8.384 1.00 0.00 N ATOM 873 CA ALA A 57 2.381 -5.384 -7.772 1.00 0.00 C ATOM 874 C ALA A 57 3.505 -5.163 -6.764 1.00 0.00 C ATOM 875 O ALA A 57 3.724 -4.068 -6.287 1.00 0.00 O ATOM 876 CB ALA A 57 1.030 -5.303 -7.058 1.00 0.00 C ATOM 0 H ALA A 57 1.909 -7.451 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 57 2.422 -4.619 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.914 -4.316 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.228 -5.473 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.985 -6.063 -6.278 1.00 0.00 H new ATOM 882 N LYS A 58 4.222 -6.200 -6.442 1.00 0.00 N ATOM 883 CA LYS A 58 5.339 -6.066 -5.469 1.00 0.00 C ATOM 884 C LYS A 58 6.529 -5.386 -6.155 1.00 0.00 C ATOM 885 O LYS A 58 6.859 -4.255 -5.866 1.00 0.00 O ATOM 886 CB LYS A 58 5.736 -7.468 -4.983 1.00 0.00 C ATOM 887 CG LYS A 58 6.327 -7.405 -3.562 1.00 0.00 C ATOM 888 CD LYS A 58 5.199 -7.456 -2.526 1.00 0.00 C ATOM 889 CE LYS A 58 5.798 -7.499 -1.123 1.00 0.00 C ATOM 890 NZ LYS A 58 6.351 -8.858 -0.859 1.00 0.00 N ATOM 0 H LYS A 58 4.082 -7.140 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 58 5.031 -5.460 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.864 -8.121 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.466 -7.902 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.013 -8.238 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.904 -6.489 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.555 -6.583 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.576 -8.334 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.585 -6.750 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.036 -7.255 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.525 -8.970 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.670 -9.577 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.245 -8.976 -1.378 1.00 0.00 H new ATOM 904 N ALA A 59 7.174 -6.065 -7.068 1.00 0.00 N ATOM 905 CA ALA A 59 8.338 -5.448 -7.772 1.00 0.00 C ATOM 906 C ALA A 59 7.959 -4.037 -8.224 1.00 0.00 C ATOM 907 O ALA A 59 8.734 -3.105 -8.115 1.00 0.00 O ATOM 908 CB ALA A 59 8.705 -6.293 -8.993 1.00 0.00 C ATOM 0 H ALA A 59 6.946 -7.017 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 59 9.192 -5.401 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.554 -5.842 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.968 -7.301 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.854 -6.339 -9.672 1.00 0.00 H new ATOM 914 N ALA A 60 6.766 -3.871 -8.722 1.00 0.00 N ATOM 915 CA ALA A 60 6.333 -2.522 -9.170 1.00 0.00 C ATOM 916 C ALA A 60 6.220 -1.603 -7.951 1.00 0.00 C ATOM 917 O ALA A 60 6.513 -0.426 -8.019 1.00 0.00 O ATOM 918 CB ALA A 60 4.977 -2.630 -9.877 1.00 0.00 C ATOM 0 H ALA A 60 6.074 -4.611 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 60 7.063 -2.109 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.658 -1.641 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.069 -3.288 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.238 -3.038 -9.187 1.00 0.00 H new ATOM 924 N LEU A 61 5.803 -2.133 -6.832 1.00 0.00 N ATOM 925 CA LEU A 61 5.682 -1.289 -5.611 1.00 0.00 C ATOM 926 C LEU A 61 7.073 -0.790 -5.209 1.00 0.00 C ATOM 927 O LEU A 61 7.241 0.339 -4.792 1.00 0.00 O ATOM 928 CB LEU A 61 5.072 -2.113 -4.466 1.00 0.00 C ATOM 929 CG LEU A 61 5.095 -1.310 -3.156 1.00 0.00 C ATOM 930 CD1 LEU A 61 4.432 0.060 -3.360 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.333 -2.087 -2.080 1.00 0.00 C ATOM 0 H LEU A 61 5.542 -3.112 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 61 5.033 -0.438 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.047 -2.388 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.629 -3.041 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 61 6.129 -1.159 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.455 0.618 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.972 0.615 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.397 -0.080 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.345 -1.523 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.302 -2.236 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.809 -3.055 -1.925 1.00 0.00 H new ATOM 943 N LEU A 62 8.074 -1.621 -5.334 1.00 0.00 N ATOM 944 CA LEU A 62 9.448 -1.184 -4.959 1.00 0.00 C ATOM 945 C LEU A 62 9.820 0.058 -5.767 1.00 0.00 C ATOM 946 O LEU A 62 10.459 0.965 -5.269 1.00 0.00 O ATOM 947 CB LEU A 62 10.453 -2.300 -5.260 1.00 0.00 C ATOM 948 CG LEU A 62 9.970 -3.624 -4.656 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.063 -4.682 -4.825 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.664 -3.436 -3.163 1.00 0.00 C ATOM 0 H LEU A 62 7.999 -2.578 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 62 9.473 -0.956 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.577 -2.407 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.429 -2.040 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 62 9.063 -3.946 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.725 -5.626 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.275 -4.820 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.968 -4.355 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.321 -4.380 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.567 -3.112 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.887 -2.681 -3.043 1.00 0.00 H new ATOM 962 N LEU A 63 9.427 0.112 -7.010 1.00 0.00 N ATOM 963 CA LEU A 63 9.764 1.304 -7.840 1.00 0.00 C ATOM 964 C LEU A 63 9.047 2.529 -7.264 1.00 0.00 C ATOM 965 O LEU A 63 9.547 3.635 -7.320 1.00 0.00 O ATOM 966 CB LEU A 63 9.312 1.065 -9.290 1.00 0.00 C ATOM 967 CG LEU A 63 10.356 0.206 -10.039 1.00 0.00 C ATOM 968 CD1 LEU A 63 9.684 -0.531 -11.201 1.00 0.00 C ATOM 969 CD2 LEU A 63 11.472 1.101 -10.600 1.00 0.00 C ATOM 0 H LEU A 63 8.890 -0.613 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 63 10.841 1.473 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.344 0.564 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.182 2.019 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 63 10.781 -0.513 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.424 -1.135 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.896 -1.178 -10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.253 0.194 -11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.202 0.486 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.044 1.826 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.963 1.627 -9.781 1.00 0.00 H new ATOM 981 N ARG A 64 7.883 2.341 -6.704 1.00 0.00 N ATOM 982 CA ARG A 64 7.144 3.494 -6.117 1.00 0.00 C ATOM 983 C ARG A 64 7.814 3.894 -4.796 1.00 0.00 C ATOM 984 O ARG A 64 8.317 4.990 -4.652 1.00 0.00 O ATOM 985 CB ARG A 64 5.674 3.085 -5.868 1.00 0.00 C ATOM 986 CG ARG A 64 4.803 3.462 -7.080 1.00 0.00 C ATOM 987 CD ARG A 64 4.398 4.945 -6.998 1.00 0.00 C ATOM 988 NE ARG A 64 4.029 5.461 -8.360 1.00 0.00 N ATOM 989 CZ ARG A 64 4.863 5.437 -9.368 1.00 0.00 C ATOM 990 NH1 ARG A 64 6.112 5.107 -9.191 1.00 0.00 N ATOM 991 NH2 ARG A 64 4.453 5.796 -10.553 1.00 0.00 N ATOM 0 H ARG A 64 7.412 1.439 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 64 7.164 4.342 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.613 2.012 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.298 3.580 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.351 3.277 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.912 2.834 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.555 5.062 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.221 5.532 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 64 3.095 5.844 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.448 4.864 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.753 5.092 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.487 6.093 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.098 5.779 -11.343 1.00 0.00 H new ATOM 1005 N GLN A 65 7.825 3.014 -3.833 1.00 0.00 N ATOM 1006 CA GLN A 65 8.463 3.343 -2.531 1.00 0.00 C ATOM 1007 C GLN A 65 9.951 3.623 -2.747 1.00 0.00 C ATOM 1008 O GLN A 65 10.609 2.961 -3.524 1.00 0.00 O ATOM 1009 CB GLN A 65 8.297 2.159 -1.580 1.00 0.00 C ATOM 1010 CG GLN A 65 6.822 2.007 -1.205 1.00 0.00 C ATOM 1011 CD GLN A 65 6.430 3.110 -0.221 1.00 0.00 C ATOM 1012 OE1 GLN A 65 6.627 2.975 0.971 1.00 0.00 O ATOM 1013 NE2 GLN A 65 5.880 4.205 -0.670 1.00 0.00 N ATOM 0 H GLN A 65 7.419 2.080 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 65 7.990 4.227 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.659 1.246 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.897 2.313 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.201 2.065 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.648 1.028 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.714 4.320 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.616 4.946 -0.021 1.00 0.00 H new ATOM 1022 N GLY A 66 10.487 4.599 -2.067 1.00 0.00 N ATOM 1023 CA GLY A 66 11.933 4.917 -2.236 1.00 0.00 C ATOM 1024 C GLY A 66 12.235 6.280 -1.611 1.00 0.00 C ATOM 1025 O GLY A 66 12.370 6.406 -0.410 1.00 0.00 O ATOM 0 H GLY A 66 9.987 5.189 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.543 4.146 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.193 4.925 -3.295 1.00 0.00 H new ATOM 1029 N GLU A 67 12.346 7.301 -2.417 1.00 0.00 N ATOM 1030 CA GLU A 67 12.641 8.655 -1.868 1.00 0.00 C ATOM 1031 C GLU A 67 11.373 9.238 -1.238 1.00 0.00 C ATOM 1032 O GLU A 67 10.890 10.278 -1.643 1.00 0.00 O ATOM 1033 CB GLU A 67 13.113 9.572 -2.999 1.00 0.00 C ATOM 1034 CG GLU A 67 12.162 9.441 -4.192 1.00 0.00 C ATOM 1035 CD GLU A 67 12.393 10.602 -5.162 1.00 0.00 C ATOM 1036 OE1 GLU A 67 11.873 11.675 -4.905 1.00 0.00 O ATOM 1037 OE2 GLU A 67 13.086 10.398 -6.145 1.00 0.00 O ATOM 0 H GLU A 67 12.245 7.256 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 67 13.422 8.577 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.142 10.606 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.127 9.307 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.328 8.491 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.128 9.442 -3.848 1.00 0.00 H new ATOM 1044 N ILE A 68 10.829 8.578 -0.249 1.00 0.00 N ATOM 1045 CA ILE A 68 9.591 9.090 0.409 1.00 0.00 C ATOM 1046 C ILE A 68 9.970 9.949 1.621 1.00 0.00 C ATOM 1047 O ILE A 68 9.417 11.010 1.833 1.00 0.00 O ATOM 1048 CB ILE A 68 8.725 7.901 0.860 1.00 0.00 C ATOM 1049 CG1 ILE A 68 9.628 6.784 1.407 1.00 0.00 C ATOM 1050 CG2 ILE A 68 7.923 7.363 -0.331 1.00 0.00 C ATOM 1051 CD1 ILE A 68 8.775 5.664 2.022 1.00 0.00 C ATOM 0 H ILE A 68 11.190 7.704 0.132 1.00 0.00 H new ATOM 0 HA ILE A 68 9.027 9.700 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 68 8.040 8.234 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.246 6.381 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.305 7.189 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.311 6.521 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.279 8.151 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.608 7.034 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 68 9.427 4.879 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.176 6.069 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.116 5.248 1.260 1.00 0.00 H new ATOM 1063 N GLU A 69 10.904 9.494 2.419 1.00 0.00 N ATOM 1064 CA GLU A 69 11.330 10.269 3.626 1.00 0.00 C ATOM 1065 C GLU A 69 12.731 10.842 3.395 1.00 0.00 C ATOM 1066 O GLU A 69 13.075 11.893 3.900 1.00 0.00 O ATOM 1067 CB GLU A 69 11.350 9.323 4.837 1.00 0.00 C ATOM 1068 CG GLU A 69 11.259 10.128 6.136 1.00 0.00 C ATOM 1069 CD GLU A 69 12.512 10.990 6.297 1.00 0.00 C ATOM 1070 OE1 GLU A 69 13.561 10.429 6.569 1.00 0.00 O ATOM 1071 OE2 GLU A 69 12.401 12.196 6.149 1.00 0.00 O ATOM 0 H GLU A 69 11.394 8.610 2.284 1.00 0.00 H new ATOM 0 HA GLU A 69 10.635 11.089 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.517 8.623 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.265 8.731 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.371 10.760 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.158 9.454 6.987 1.00 0.00 H new ATOM 1078 N THR A 70 13.543 10.159 2.635 1.00 0.00 N ATOM 1079 CA THR A 70 14.921 10.664 2.373 1.00 0.00 C ATOM 1080 C THR A 70 15.495 9.959 1.140 1.00 0.00 C ATOM 1081 O THR A 70 14.892 9.947 0.088 1.00 0.00 O ATOM 1082 CB THR A 70 15.807 10.381 3.593 1.00 0.00 C ATOM 1083 OG1 THR A 70 15.082 10.677 4.777 1.00 0.00 O ATOM 1084 CG2 THR A 70 17.066 11.250 3.535 1.00 0.00 C ATOM 0 H THR A 70 13.312 9.274 2.184 1.00 0.00 H new ATOM 0 HA THR A 70 14.891 11.738 2.192 1.00 0.00 H new ATOM 0 HB THR A 70 16.098 9.330 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 70 14.485 9.930 4.990 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.691 11.044 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.623 11.023 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.782 12.302 3.533 1.00 0.00 H new ATOM 1092 N SER A 71 16.655 9.371 1.261 1.00 0.00 N ATOM 1093 CA SER A 71 17.262 8.668 0.094 1.00 0.00 C ATOM 1094 C SER A 71 18.525 7.928 0.543 1.00 0.00 C ATOM 1095 O SER A 71 19.443 8.515 1.080 1.00 0.00 O ATOM 1096 CB SER A 71 17.626 9.691 -0.986 1.00 0.00 C ATOM 1097 OG SER A 71 16.448 10.087 -1.676 1.00 0.00 O ATOM 0 H SER A 71 17.208 9.347 2.117 1.00 0.00 H new ATOM 0 HA SER A 71 16.546 7.952 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.105 10.559 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.343 9.259 -1.685 1.00 0.00 H new ATOM 0 HG SER A 71 15.661 9.741 -1.205 1.00 0.00 H new ATOM 1103 N LEU A 72 18.579 6.642 0.322 1.00 0.00 N ATOM 1104 CA LEU A 72 19.780 5.865 0.730 1.00 0.00 C ATOM 1105 C LEU A 72 20.894 6.096 -0.292 1.00 0.00 C ATOM 1106 O LEU A 72 21.248 5.215 -1.049 1.00 0.00 O ATOM 1107 CB LEU A 72 19.438 4.371 0.776 1.00 0.00 C ATOM 1108 CG LEU A 72 18.125 4.130 1.551 1.00 0.00 C ATOM 1109 CD1 LEU A 72 18.158 4.891 2.886 1.00 0.00 C ATOM 1110 CD2 LEU A 72 16.887 4.562 0.715 1.00 0.00 C ATOM 0 H LEU A 72 17.841 6.097 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 72 20.107 6.191 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.342 3.984 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 72 20.251 3.822 1.251 1.00 0.00 H new ATOM 0 HG LEU A 72 18.038 3.061 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.228 4.716 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.998 4.539 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.271 5.958 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.979 4.379 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.960 5.624 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.854 3.986 -0.210 1.00 0.00 H new ATOM 1122 N GLY A 73 21.448 7.277 -0.323 1.00 0.00 N ATOM 1123 CA GLY A 73 22.537 7.564 -1.298 1.00 0.00 C ATOM 1124 C GLY A 73 23.853 6.971 -0.793 1.00 0.00 C ATOM 1125 O GLY A 73 24.921 7.471 -1.084 1.00 0.00 O ATOM 0 H GLY A 73 21.193 8.055 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.287 7.142 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.641 8.640 -1.435 1.00 0.00 H new ATOM 1129 N TYR A 74 23.787 5.906 -0.039 1.00 0.00 N ATOM 1130 CA TYR A 74 25.036 5.279 0.483 1.00 0.00 C ATOM 1131 C TYR A 74 25.563 4.277 -0.544 1.00 0.00 C ATOM 1132 O TYR A 74 26.482 4.557 -1.288 1.00 0.00 O ATOM 1133 CB TYR A 74 24.730 4.549 1.793 1.00 0.00 C ATOM 1134 CG TYR A 74 24.547 5.558 2.902 1.00 0.00 C ATOM 1135 CD1 TYR A 74 25.658 5.985 3.656 1.00 0.00 C ATOM 1136 CD2 TYR A 74 23.266 6.072 3.183 1.00 0.00 C ATOM 1137 CE1 TYR A 74 25.487 6.926 4.690 1.00 0.00 C ATOM 1138 CE2 TYR A 74 23.096 7.013 4.216 1.00 0.00 C ATOM 1139 CZ TYR A 74 24.207 7.439 4.970 1.00 0.00 C ATOM 1140 OH TYR A 74 24.040 8.362 5.984 1.00 0.00 O ATOM 0 H TYR A 74 22.921 5.443 0.238 1.00 0.00 H new ATOM 0 HA TYR A 74 25.785 6.050 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 74 23.829 3.946 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 74 25.543 3.866 2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 74 26.640 5.591 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 74 22.414 5.744 2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 74 26.338 7.254 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 74 22.114 7.408 4.430 1.00 0.00 H new ATOM 0 HH TYR A 74 23.095 8.614 6.044 1.00 0.00 H new ATOM 1150 N PHE A 75 24.983 3.112 -0.590 1.00 0.00 N ATOM 1151 CA PHE A 75 25.441 2.086 -1.567 1.00 0.00 C ATOM 1152 C PHE A 75 24.370 1.005 -1.701 1.00 0.00 C ATOM 1153 O PHE A 75 24.641 -0.107 -2.110 1.00 0.00 O ATOM 1154 CB PHE A 75 26.744 1.455 -1.075 1.00 0.00 C ATOM 1155 CG PHE A 75 27.344 0.612 -2.177 1.00 0.00 C ATOM 1156 CD1 PHE A 75 28.066 1.226 -3.219 1.00 0.00 C ATOM 1157 CD2 PHE A 75 27.181 -0.786 -2.162 1.00 0.00 C ATOM 1158 CE1 PHE A 75 28.625 0.441 -4.247 1.00 0.00 C ATOM 1159 CE2 PHE A 75 27.741 -1.572 -3.190 1.00 0.00 C ATOM 1160 CZ PHE A 75 28.462 -0.958 -4.231 1.00 0.00 C ATOM 0 H PHE A 75 24.209 2.825 0.009 1.00 0.00 H new ATOM 0 HA PHE A 75 25.611 2.555 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.446 2.233 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 75 26.553 0.840 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.191 2.299 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 75 26.627 -1.257 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 75 29.178 0.912 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.617 -2.645 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 75 28.891 -1.560 -5.018 1.00 0.00 H new ATOM 1170 N GLU A 76 23.152 1.321 -1.354 1.00 0.00 N ATOM 1171 CA GLU A 76 22.061 0.312 -1.458 1.00 0.00 C ATOM 1172 C GLU A 76 22.471 -0.960 -0.714 1.00 0.00 C ATOM 1173 O GLU A 76 23.573 -1.068 -0.213 1.00 0.00 O ATOM 1174 CB GLU A 76 21.808 -0.016 -2.931 1.00 0.00 C ATOM 1175 CG GLU A 76 21.537 1.276 -3.704 1.00 0.00 C ATOM 1176 CD GLU A 76 20.259 1.929 -3.175 1.00 0.00 C ATOM 1177 OE1 GLU A 76 19.312 1.206 -2.909 1.00 0.00 O ATOM 1178 OE2 GLU A 76 20.248 3.143 -3.043 1.00 0.00 O ATOM 1179 OXT GLU A 76 21.594 -1.923 -0.636 1.00 0.00 O ATOM 0 H GLU A 76 22.866 2.235 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 76 21.150 0.714 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.671 -0.530 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.958 -0.692 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.379 1.960 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.435 1.061 -4.768 1.00 0.00 H new TER 1186 GLU A 76