USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 923 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: B 21 ASN : amide:sc= -0.0321 K(o=-5.7,f=-6.5) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -5.72! C(o=-7.7!,f=-5.7!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.636! C(o=-15!,f=-3.4!) USER MOD Set 2.2: B 55 GLN : amide:sc= -2.76! C(o=-3.4!,f=-5.9!) USER MOD Set 3.1: B 23 ASN : amide:sc= -7.56! C(o=-8.4!,f=-17!) USER MOD Set 3.2: B 24 SER OG : rot -160:sc= -0.831 USER MOD Set 4.1: B 1 VAL N :NH3+ 172:sc= 0.431 (180deg=-0.487) USER MOD Set 4.2: B 3 ASN : amide:sc= -2.58 K(o=-2.1,f=-3.8) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.36 F(o=-15!,f=-11) USER MOD Set 5.2: A 52 ASN : amide:sc= -9.59! C(o=-11!,f=-19!) USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.492 F(o=-9.1!,f=-3.1) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -2.57! C(o=-7.3!,f=-3.1!) USER MOD Set 7.1: A 13 THR OG1 : rot 118:sc= -2.76 USER MOD Set 7.2: B 17 MET CE :methyl -123:sc= -11.7! (180deg=-11.7!) USER MOD Single : A 1 VAL N :NH3+ -177:sc= -0.542 (180deg=-0.628) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.589 (180deg=-0.772) USER MOD Single : A 6 ASN : amide:sc= -2.75 K(o=-2.7,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= -0.314 (180deg=-1.42!) USER MOD Single : A 18 ASN : amide:sc= -3.16 K(o=-3.2,f=-7.5!) USER MOD Single : A 23 ASN : amide:sc= -0.841 K(o=-0.84,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.66 (180deg=-2.28) USER MOD Single : A 33 SER OG : rot 75:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.356 K(o=-0.36,f=-2) USER MOD Single : A 41 SER OG : rot -92:sc= 0.0853 USER MOD Single : A 43 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.0011) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= -1.2 (180deg=-1.26) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= 0.88 (180deg=0.0779) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0.73 (180deg=0.73) USER MOD Single : B 4 LYS NZ :NH3+ 140:sc= 0.687 (180deg=-3.02!) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.0568 F(o=-1.1,f=-0.057) USER MOD Single : B 7 LYS NZ :NH3+ -115:sc= 1.14 (180deg=-0.52) USER MOD Single : B 32 ASN :FLIP amide:sc= -2.29 F(o=-2.9!,f=-2.3) USER MOD Single : B 33 SER OG : rot 81:sc= 0.00263 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.208 F(o=-1.4,f=-0.21) USER MOD Single : B 41 SER OG : rot 108:sc= 0.267 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0414 F(o=-0.68,f=-0.041) USER MOD Single : B 49 LYS NZ :NH3+ 143:sc= 1.11 (180deg=-0.959!) USER MOD Single : B 50 LYS NZ :NH3+ 154:sc= -0.181 (180deg=-0.981) USER MOD Single : B 58 LYS NZ :NH3+ -152:sc= 0.315 (180deg=-0.814) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.715 -15.633 7.969 1.00 0.00 N ATOM 2 CA VAL A 1 7.217 -14.577 8.897 1.00 0.00 C ATOM 3 C VAL A 1 8.208 -13.678 8.154 1.00 0.00 C ATOM 4 O VAL A 1 8.335 -12.493 8.464 1.00 0.00 O ATOM 5 CB VAL A 1 7.888 -15.245 10.117 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.146 -16.016 9.685 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.274 -14.173 11.149 1.00 0.00 C ATOM 0 H1 VAL A 1 6.003 -16.214 8.457 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.284 -15.186 7.135 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.507 -16.236 7.668 1.00 0.00 H new ATOM 0 HA VAL A 1 6.388 -13.963 9.249 1.00 0.00 H new ATOM 0 HB VAL A 1 7.181 -15.945 10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.606 -16.480 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.871 -16.788 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.855 -15.327 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.747 -14.649 12.008 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.970 -13.466 10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.379 -13.643 11.475 1.00 0.00 H new ATOM 19 N ASP A 2 8.901 -14.254 7.172 1.00 0.00 N ATOM 20 CA ASP A 2 9.878 -13.509 6.379 1.00 0.00 C ATOM 21 C ASP A 2 9.205 -12.358 5.629 1.00 0.00 C ATOM 22 O ASP A 2 9.796 -11.295 5.452 1.00 0.00 O ATOM 23 CB ASP A 2 10.553 -14.455 5.374 1.00 0.00 C ATOM 24 CG ASP A 2 9.546 -14.921 4.315 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.583 -15.577 4.685 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.749 -14.607 3.155 1.00 0.00 O ATOM 0 H ASP A 2 8.804 -15.234 6.907 1.00 0.00 H new ATOM 0 HA ASP A 2 10.626 -13.092 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.388 -13.947 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.964 -15.318 5.898 1.00 0.00 H new ATOM 31 N ASN A 3 7.968 -12.596 5.188 1.00 0.00 N ATOM 32 CA ASN A 3 7.199 -11.597 4.446 1.00 0.00 C ATOM 33 C ASN A 3 6.378 -10.706 5.382 1.00 0.00 C ATOM 34 O ASN A 3 5.502 -9.969 4.927 1.00 0.00 O ATOM 35 CB ASN A 3 6.267 -12.301 3.448 1.00 0.00 C ATOM 36 CG ASN A 3 7.090 -13.100 2.440 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.959 -12.545 1.766 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.873 -14.379 2.301 1.00 0.00 N ATOM 0 H ASN A 3 7.476 -13.478 5.334 1.00 0.00 H new ATOM 0 HA ASN A 3 7.903 -10.959 3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.585 -12.964 3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.655 -11.565 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.423 -14.920 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.153 -14.838 2.859 1.00 0.00 H new ATOM 45 N LYS A 4 6.659 -10.771 6.690 1.00 0.00 N ATOM 46 CA LYS A 4 5.926 -9.953 7.661 1.00 0.00 C ATOM 47 C LYS A 4 6.030 -8.475 7.287 1.00 0.00 C ATOM 48 O LYS A 4 5.035 -7.755 7.300 1.00 0.00 O ATOM 49 CB LYS A 4 6.483 -10.184 9.076 1.00 0.00 C ATOM 50 CG LYS A 4 5.663 -9.403 10.116 1.00 0.00 C ATOM 51 CD LYS A 4 4.319 -10.107 10.350 1.00 0.00 C ATOM 52 CE LYS A 4 3.598 -9.476 11.545 1.00 0.00 C ATOM 53 NZ LYS A 4 3.219 -8.073 11.218 1.00 0.00 N ATOM 0 H LYS A 4 7.377 -11.372 7.094 1.00 0.00 H new ATOM 0 HA LYS A 4 4.876 -10.245 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.461 -11.248 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.526 -9.870 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.216 -9.334 11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.495 -8.383 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.698 -10.029 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.482 -11.169 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.708 -10.055 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.244 -9.493 12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.600 -7.697 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.076 -7.488 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.715 -8.052 10.308 1.00 0.00 H new ATOM 67 N PHE A 5 7.237 -8.038 6.932 1.00 0.00 N ATOM 68 CA PHE A 5 7.465 -6.660 6.533 1.00 0.00 C ATOM 69 C PHE A 5 6.637 -6.334 5.290 1.00 0.00 C ATOM 70 O PHE A 5 6.090 -5.250 5.194 1.00 0.00 O ATOM 71 CB PHE A 5 8.962 -6.393 6.302 1.00 0.00 C ATOM 72 CG PHE A 5 9.423 -6.933 4.963 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.573 -8.311 4.775 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.722 -6.050 3.916 1.00 0.00 C ATOM 75 CE1 PHE A 5 10.022 -8.806 3.545 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.167 -6.544 2.691 1.00 0.00 C ATOM 77 CZ PHE A 5 10.320 -7.921 2.503 1.00 0.00 C ATOM 0 H PHE A 5 8.071 -8.624 6.914 1.00 0.00 H new ATOM 0 HA PHE A 5 7.143 -6.002 7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.153 -5.321 6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.542 -6.855 7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.342 -8.994 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.607 -4.986 4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.138 -9.870 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.394 -5.862 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.668 -8.301 1.554 1.00 0.00 H new ATOM 87 N ASN A 6 6.535 -7.291 4.356 1.00 0.00 N ATOM 88 CA ASN A 6 5.735 -7.095 3.146 1.00 0.00 C ATOM 89 C ASN A 6 4.270 -6.953 3.527 1.00 0.00 C ATOM 90 O ASN A 6 3.574 -6.058 3.059 1.00 0.00 O ATOM 91 CB ASN A 6 5.883 -8.314 2.233 1.00 0.00 C ATOM 92 CG ASN A 6 5.259 -8.055 0.863 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.792 -7.298 0.068 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.152 -8.655 0.543 1.00 0.00 N ATOM 0 H ASN A 6 6.994 -8.200 4.417 1.00 0.00 H new ATOM 0 HA ASN A 6 6.078 -6.198 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.939 -8.557 2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.406 -9.178 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.730 -8.493 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.705 -9.288 1.206 1.00 0.00 H new ATOM 101 N LYS A 7 3.833 -7.838 4.420 1.00 0.00 N ATOM 102 CA LYS A 7 2.470 -7.835 4.913 1.00 0.00 C ATOM 103 C LYS A 7 2.203 -6.493 5.570 1.00 0.00 C ATOM 104 O LYS A 7 1.174 -5.860 5.347 1.00 0.00 O ATOM 105 CB LYS A 7 2.319 -8.996 5.921 1.00 0.00 C ATOM 106 CG LYS A 7 0.917 -9.039 6.552 1.00 0.00 C ATOM 107 CD LYS A 7 -0.052 -9.843 5.671 1.00 0.00 C ATOM 108 CE LYS A 7 0.106 -11.349 5.901 1.00 0.00 C ATOM 109 NZ LYS A 7 0.022 -11.657 7.359 1.00 0.00 N ATOM 0 H LYS A 7 4.417 -8.573 4.818 1.00 0.00 H new ATOM 0 HA LYS A 7 1.749 -7.976 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.517 -9.941 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.066 -8.892 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.973 -9.489 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.541 -8.024 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.078 -9.545 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.130 -9.612 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.671 -11.891 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.064 -11.687 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.340 -12.623 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.968 -11.581 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.620 -10.981 7.820 1.00 0.00 H new ATOM 123 N GLU A 8 3.162 -6.065 6.369 1.00 0.00 N ATOM 124 CA GLU A 8 3.050 -4.796 7.055 1.00 0.00 C ATOM 125 C GLU A 8 3.244 -3.609 6.108 1.00 0.00 C ATOM 126 O GLU A 8 2.563 -2.597 6.228 1.00 0.00 O ATOM 127 CB GLU A 8 4.053 -4.746 8.208 1.00 0.00 C ATOM 128 CG GLU A 8 3.636 -5.729 9.319 1.00 0.00 C ATOM 129 CD GLU A 8 2.190 -5.479 9.760 1.00 0.00 C ATOM 130 OE1 GLU A 8 1.895 -4.370 10.176 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.396 -6.403 9.665 1.00 0.00 O ATOM 0 H GLU A 8 4.024 -6.577 6.557 1.00 0.00 H new ATOM 0 HA GLU A 8 2.039 -4.715 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.049 -4.998 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.107 -3.734 8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.739 -6.753 8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.304 -5.622 10.174 1.00 0.00 H new ATOM 138 N LEU A 9 4.151 -3.763 5.153 1.00 0.00 N ATOM 139 CA LEU A 9 4.422 -2.726 4.147 1.00 0.00 C ATOM 140 C LEU A 9 3.142 -2.459 3.397 1.00 0.00 C ATOM 141 O LEU A 9 2.803 -1.313 3.112 1.00 0.00 O ATOM 142 CB LEU A 9 5.527 -3.218 3.191 1.00 0.00 C ATOM 143 CG LEU A 9 5.662 -2.283 1.973 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.419 -1.000 2.309 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.423 -2.996 0.881 1.00 0.00 C ATOM 0 H LEU A 9 4.721 -4.602 5.047 1.00 0.00 H new ATOM 0 HA LEU A 9 4.766 -1.805 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.477 -3.267 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.297 -4.229 2.854 1.00 0.00 H new ATOM 0 HG LEU A 9 4.653 -2.019 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.488 -0.375 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.888 -0.459 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.422 -1.249 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.521 -2.339 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.414 -3.267 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.884 -3.898 0.591 1.00 0.00 H new ATOM 157 N GLY A 10 2.410 -3.523 3.119 1.00 0.00 N ATOM 158 CA GLY A 10 1.160 -3.392 2.449 1.00 0.00 C ATOM 159 C GLY A 10 0.123 -2.816 3.390 1.00 0.00 C ATOM 160 O GLY A 10 -0.699 -1.989 3.009 1.00 0.00 O ATOM 0 H GLY A 10 2.673 -4.480 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.271 -2.746 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.831 -4.365 2.084 1.00 0.00 H new ATOM 164 N TRP A 11 0.134 -3.290 4.626 1.00 0.00 N ATOM 165 CA TRP A 11 -0.846 -2.825 5.576 1.00 0.00 C ATOM 166 C TRP A 11 -0.666 -1.406 6.013 1.00 0.00 C ATOM 167 O TRP A 11 -1.626 -0.637 5.985 1.00 0.00 O ATOM 168 CB TRP A 11 -0.975 -3.752 6.762 1.00 0.00 C ATOM 169 CG TRP A 11 -2.436 -3.843 7.114 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.899 -3.957 8.360 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.625 -3.798 6.235 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.282 -4.018 8.324 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.772 -3.914 7.040 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.819 -3.678 4.835 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.055 -3.909 6.490 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.091 -3.670 4.280 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.216 -3.783 5.103 1.00 0.00 C ATOM 0 H TRP A 11 0.796 -3.979 4.982 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.787 -2.842 5.025 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.577 -4.738 6.522 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.401 -3.374 7.608 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.293 -3.996 9.253 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.869 -4.127 9.151 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.959 -3.591 4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.920 -4.002 7.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.212 -3.576 3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.206 -3.773 4.671 1.00 0.00 H new ATOM 188 N ALA A 12 0.527 -1.044 6.419 1.00 0.00 N ATOM 189 CA ALA A 12 0.739 0.307 6.849 1.00 0.00 C ATOM 190 C ALA A 12 0.339 1.244 5.704 1.00 0.00 C ATOM 191 O ALA A 12 -0.291 2.270 5.925 1.00 0.00 O ATOM 192 CB ALA A 12 2.195 0.501 7.265 1.00 0.00 C ATOM 0 H ALA A 12 1.345 -1.653 6.459 1.00 0.00 H new ATOM 0 HA ALA A 12 0.126 0.537 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.346 1.530 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.433 -0.177 8.085 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.847 0.288 6.418 1.00 0.00 H new ATOM 198 N THR A 13 0.644 0.819 4.470 1.00 0.00 N ATOM 199 CA THR A 13 0.260 1.560 3.271 1.00 0.00 C ATOM 200 C THR A 13 -1.249 1.768 3.248 1.00 0.00 C ATOM 201 O THR A 13 -1.723 2.875 3.013 1.00 0.00 O ATOM 202 CB THR A 13 0.699 0.746 2.057 1.00 0.00 C ATOM 203 OG1 THR A 13 2.093 0.881 1.907 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.006 1.214 0.787 1.00 0.00 C ATOM 0 H THR A 13 1.159 -0.041 4.281 1.00 0.00 H new ATOM 0 HA THR A 13 0.737 2.540 3.260 1.00 0.00 H new ATOM 0 HB THR A 13 0.431 -0.298 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.519 0.003 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.330 0.613 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.084 1.102 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.231 2.262 0.604 1.00 0.00 H new ATOM 212 N TRP A 14 -1.981 0.688 3.510 1.00 0.00 N ATOM 213 CA TRP A 14 -3.441 0.720 3.533 1.00 0.00 C ATOM 214 C TRP A 14 -3.967 1.595 4.658 1.00 0.00 C ATOM 215 O TRP A 14 -4.876 2.388 4.464 1.00 0.00 O ATOM 216 CB TRP A 14 -3.947 -0.691 3.767 1.00 0.00 C ATOM 217 CG TRP A 14 -5.412 -0.791 3.490 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.380 -0.814 4.434 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.088 -0.915 2.210 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.601 -0.988 3.817 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.473 -1.051 2.449 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.645 -0.936 0.876 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.371 -1.211 1.404 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.543 -1.096 -0.161 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.894 -1.237 0.098 1.00 0.00 C ATOM 0 H TRP A 14 -1.582 -0.229 3.711 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.787 1.127 2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.404 -1.386 3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.748 -0.986 4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.223 -0.713 5.498 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.489 -1.061 4.314 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.593 -0.826 0.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.428 -1.314 1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.188 -1.111 -1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.585 -1.369 -0.721 1.00 0.00 H new ATOM 236 N GLU A 15 -3.397 1.416 5.840 1.00 0.00 N ATOM 237 CA GLU A 15 -3.823 2.165 7.011 1.00 0.00 C ATOM 238 C GLU A 15 -3.627 3.664 6.771 1.00 0.00 C ATOM 239 O GLU A 15 -4.479 4.475 7.141 1.00 0.00 O ATOM 240 CB GLU A 15 -3.038 1.662 8.222 1.00 0.00 C ATOM 241 CG GLU A 15 -3.409 0.185 8.482 1.00 0.00 C ATOM 242 CD GLU A 15 -2.445 -0.434 9.492 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.673 -0.270 10.678 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.489 -1.060 9.060 1.00 0.00 O ATOM 0 H GLU A 15 -2.637 0.758 6.013 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.885 2.012 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.967 1.755 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.268 2.268 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.430 0.120 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.376 -0.375 7.547 1.00 0.00 H new ATOM 251 N ILE A 16 -2.537 4.010 6.080 1.00 0.00 N ATOM 252 CA ILE A 16 -2.267 5.402 5.711 1.00 0.00 C ATOM 253 C ILE A 16 -3.283 5.814 4.639 1.00 0.00 C ATOM 254 O ILE A 16 -3.797 6.933 4.633 1.00 0.00 O ATOM 255 CB ILE A 16 -0.836 5.521 5.135 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.208 5.164 6.202 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.574 6.949 4.651 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.584 4.948 5.551 1.00 0.00 C ATOM 0 H ILE A 16 -1.829 3.347 5.766 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.350 6.047 6.586 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.754 4.827 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.269 5.962 6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.097 4.261 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.437 7.017 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.293 7.207 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.679 7.641 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.315 4.696 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.521 4.134 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.893 5.861 5.042 1.00 0.00 H new ATOM 270 N PHE A 17 -3.558 4.863 3.745 1.00 0.00 N ATOM 271 CA PHE A 17 -4.511 5.038 2.647 1.00 0.00 C ATOM 272 C PHE A 17 -5.917 5.274 3.200 1.00 0.00 C ATOM 273 O PHE A 17 -6.713 6.020 2.627 1.00 0.00 O ATOM 274 CB PHE A 17 -4.514 3.748 1.813 1.00 0.00 C ATOM 275 CG PHE A 17 -4.751 4.011 0.345 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.673 4.333 -0.495 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.036 3.870 -0.189 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.885 4.510 -1.861 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.248 4.057 -1.555 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.172 4.373 -2.390 1.00 0.00 C ATOM 0 H PHE A 17 -3.122 3.941 3.763 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.222 5.897 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.560 3.236 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.287 3.078 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.681 4.443 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.864 3.616 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.056 4.753 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.241 3.958 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.336 4.512 -3.448 1.00 0.00 H new ATOM 290 N ASN A 18 -6.209 4.589 4.308 1.00 0.00 N ATOM 291 CA ASN A 18 -7.517 4.660 4.955 1.00 0.00 C ATOM 292 C ASN A 18 -7.610 5.803 5.968 1.00 0.00 C ATOM 293 O ASN A 18 -8.646 5.951 6.623 1.00 0.00 O ATOM 294 CB ASN A 18 -7.799 3.333 5.678 1.00 0.00 C ATOM 295 CG ASN A 18 -7.989 2.192 4.678 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.287 2.111 3.672 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.905 1.295 4.905 1.00 0.00 N ATOM 0 H ASN A 18 -5.547 3.972 4.779 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.254 4.847 4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.973 3.098 6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.692 3.434 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.040 0.526 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.488 1.361 5.739 1.00 0.00 H new ATOM 304 N LEU A 19 -6.553 6.615 6.111 1.00 0.00 N ATOM 305 CA LEU A 19 -6.614 7.713 7.071 1.00 0.00 C ATOM 306 C LEU A 19 -7.578 8.784 6.557 1.00 0.00 C ATOM 307 O LEU A 19 -7.541 9.130 5.374 1.00 0.00 O ATOM 308 CB LEU A 19 -5.233 8.316 7.329 1.00 0.00 C ATOM 309 CG LEU A 19 -4.598 7.673 8.576 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.229 8.268 8.785 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.419 7.957 9.837 1.00 0.00 C ATOM 0 H LEU A 19 -5.678 6.534 5.593 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.977 7.319 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.591 8.158 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.319 9.393 7.470 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.555 6.596 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.768 7.821 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.609 8.070 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.318 9.345 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.940 7.488 10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.478 9.033 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.424 7.552 9.716 1.00 0.00 H new ATOM 323 N PRO A 20 -8.464 9.282 7.393 1.00 0.00 N ATOM 324 CA PRO A 20 -9.487 10.288 6.990 1.00 0.00 C ATOM 325 C PRO A 20 -8.999 11.741 6.935 1.00 0.00 C ATOM 326 O PRO A 20 -9.841 12.644 6.921 1.00 0.00 O ATOM 327 CB PRO A 20 -10.581 10.137 8.073 1.00 0.00 C ATOM 328 CG PRO A 20 -10.122 9.063 9.005 1.00 0.00 C ATOM 329 CD PRO A 20 -8.622 8.963 8.820 1.00 0.00 C ATOM 0 HA PRO A 20 -9.812 10.097 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.728 11.076 8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.538 9.874 7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.372 9.309 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.607 8.114 8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.085 9.667 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.248 7.968 9.059 1.00 0.00 H new ATOM 337 N ASN A 21 -7.677 12.006 6.922 1.00 0.00 N ATOM 338 CA ASN A 21 -7.246 13.421 6.895 1.00 0.00 C ATOM 339 C ASN A 21 -5.996 13.670 6.054 1.00 0.00 C ATOM 340 O ASN A 21 -5.597 14.824 5.877 1.00 0.00 O ATOM 341 CB ASN A 21 -7.019 13.929 8.324 1.00 0.00 C ATOM 342 CG ASN A 21 -8.316 13.867 9.126 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.487 12.918 10.002 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.200 14.704 8.945 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.931 11.311 6.929 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.054 13.974 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.253 13.327 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.650 14.954 8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.066 15.447 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.066 14.655 9.481 1.00 0.00 H new ATOM 351 N LEU A 22 -5.390 12.618 5.525 1.00 0.00 N ATOM 352 CA LEU A 22 -4.195 12.785 4.694 1.00 0.00 C ATOM 353 C LEU A 22 -4.575 13.160 3.272 1.00 0.00 C ATOM 354 O LEU A 22 -5.641 12.771 2.787 1.00 0.00 O ATOM 355 CB LEU A 22 -3.383 11.496 4.667 1.00 0.00 C ATOM 356 CG LEU A 22 -2.981 11.103 6.089 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.203 9.802 6.039 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.092 12.179 6.707 1.00 0.00 C ATOM 0 H LEU A 22 -5.695 11.653 5.650 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.597 13.586 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.968 10.697 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.493 11.630 4.052 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.882 10.990 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.912 9.513 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.827 9.021 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.310 9.935 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.814 11.885 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.192 12.298 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.634 13.124 6.740 1.00 0.00 H new ATOM 370 N ASN A 23 -3.686 13.895 2.597 1.00 0.00 N ATOM 371 CA ASN A 23 -3.940 14.286 1.215 1.00 0.00 C ATOM 372 C ASN A 23 -3.223 13.318 0.283 1.00 0.00 C ATOM 373 O ASN A 23 -2.358 12.552 0.720 1.00 0.00 O ATOM 374 CB ASN A 23 -3.506 15.744 0.960 1.00 0.00 C ATOM 375 CG ASN A 23 -1.985 15.898 0.963 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.281 15.146 1.624 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.439 16.847 0.258 1.00 0.00 N ATOM 0 H ASN A 23 -2.800 14.225 2.980 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.011 14.238 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.902 16.078 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.937 16.390 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.426 16.963 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.025 17.474 -0.293 1.00 0.00 H new ATOM 384 N GLY A 24 -3.605 13.338 -0.989 1.00 0.00 N ATOM 385 CA GLY A 24 -3.018 12.439 -1.979 1.00 0.00 C ATOM 386 C GLY A 24 -1.492 12.434 -1.923 1.00 0.00 C ATOM 387 O GLY A 24 -0.870 11.406 -2.169 1.00 0.00 O ATOM 0 H GLY A 24 -4.318 13.966 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.389 11.428 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.342 12.738 -2.976 1.00 0.00 H new ATOM 391 N VAL A 25 -0.897 13.585 -1.608 1.00 0.00 N ATOM 392 CA VAL A 25 0.560 13.695 -1.542 1.00 0.00 C ATOM 393 C VAL A 25 1.139 13.027 -0.298 1.00 0.00 C ATOM 394 O VAL A 25 2.096 12.264 -0.410 1.00 0.00 O ATOM 395 CB VAL A 25 0.975 15.165 -1.598 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.498 15.280 -1.449 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.552 15.739 -2.955 1.00 0.00 C ATOM 0 H VAL A 25 -1.397 14.448 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 25 0.966 13.167 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 25 0.496 15.717 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.789 16.330 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.803 14.855 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.985 14.737 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.841 16.789 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.043 15.184 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.529 15.654 -3.065 1.00 0.00 H new ATOM 407 N GLN A 26 0.579 13.311 0.884 1.00 0.00 N ATOM 408 CA GLN A 26 1.101 12.708 2.102 1.00 0.00 C ATOM 409 C GLN A 26 0.980 11.197 2.047 1.00 0.00 C ATOM 410 O GLN A 26 1.927 10.489 2.378 1.00 0.00 O ATOM 411 CB GLN A 26 0.391 13.268 3.332 1.00 0.00 C ATOM 412 CG GLN A 26 1.175 14.486 3.847 1.00 0.00 C ATOM 413 CD GLN A 26 0.220 15.533 4.382 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.404 15.293 5.483 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.038 16.590 3.778 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.214 13.938 1.016 1.00 0.00 H new ATOM 0 HA GLN A 26 2.159 12.960 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.630 13.556 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.325 12.506 4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.866 14.178 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.776 14.908 3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.536 16.772 2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.611 17.284 4.149 1.00 0.00 H new ATOM 424 N VAL A 27 -0.169 10.706 1.586 1.00 0.00 N ATOM 425 CA VAL A 27 -0.365 9.263 1.463 1.00 0.00 C ATOM 426 C VAL A 27 0.643 8.705 0.460 1.00 0.00 C ATOM 427 O VAL A 27 1.281 7.681 0.705 1.00 0.00 O ATOM 428 CB VAL A 27 -1.796 8.947 1.001 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.966 7.429 0.874 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.802 9.486 2.027 1.00 0.00 C ATOM 0 H VAL A 27 -0.965 11.274 1.296 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.212 8.798 2.437 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.976 9.419 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.981 7.203 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.254 7.043 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.784 6.960 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.816 9.260 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.623 9.016 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.683 10.565 2.121 1.00 0.00 H new ATOM 440 N LYS A 28 0.788 9.420 -0.656 1.00 0.00 N ATOM 441 CA LYS A 28 1.733 9.043 -1.706 1.00 0.00 C ATOM 442 C LYS A 28 3.158 9.063 -1.157 1.00 0.00 C ATOM 443 O LYS A 28 3.987 8.237 -1.533 1.00 0.00 O ATOM 444 CB LYS A 28 1.592 10.025 -2.889 1.00 0.00 C ATOM 445 CG LYS A 28 2.485 9.615 -4.068 1.00 0.00 C ATOM 446 CD LYS A 28 2.420 10.707 -5.145 1.00 0.00 C ATOM 447 CE LYS A 28 3.234 10.290 -6.372 1.00 0.00 C ATOM 448 NZ LYS A 28 2.970 11.241 -7.489 1.00 0.00 N ATOM 0 H LYS A 28 0.259 10.269 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 28 1.515 8.033 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.552 10.059 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.857 11.031 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.513 9.478 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.153 8.661 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.383 10.885 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.806 11.645 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.297 10.281 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.967 9.277 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.118 10.758 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.988 11.579 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.620 12.050 -7.417 1.00 0.00 H new ATOM 462 N ALA A 29 3.421 10.017 -0.266 1.00 0.00 N ATOM 463 CA ALA A 29 4.729 10.163 0.349 1.00 0.00 C ATOM 464 C ALA A 29 4.990 9.050 1.326 1.00 0.00 C ATOM 465 O ALA A 29 6.075 8.480 1.347 1.00 0.00 O ATOM 466 CB ALA A 29 4.810 11.480 1.093 1.00 0.00 C ATOM 0 H ALA A 29 2.735 10.704 0.045 1.00 0.00 H new ATOM 0 HA ALA A 29 5.475 10.131 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.794 11.580 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.649 12.302 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.045 11.507 1.869 1.00 0.00 H new ATOM 472 N PHE A 30 3.979 8.741 2.128 1.00 0.00 N ATOM 473 CA PHE A 30 4.100 7.689 3.089 1.00 0.00 C ATOM 474 C PHE A 30 4.320 6.401 2.331 1.00 0.00 C ATOM 475 O PHE A 30 5.145 5.577 2.722 1.00 0.00 O ATOM 476 CB PHE A 30 2.851 7.617 3.961 1.00 0.00 C ATOM 477 CG PHE A 30 2.702 8.883 4.797 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.807 9.412 5.495 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.455 9.535 4.880 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.658 10.569 6.257 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.323 10.690 5.646 1.00 0.00 C ATOM 482 CZ PHE A 30 2.420 11.203 6.332 1.00 0.00 C ATOM 0 H PHE A 30 3.074 9.211 2.121 1.00 0.00 H new ATOM 0 HA PHE A 30 4.942 7.871 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.970 7.485 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.909 6.748 4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.767 8.921 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.602 9.139 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.504 10.975 6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.367 11.189 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.311 12.098 6.926 1.00 0.00 H new ATOM 492 N ILE A 31 3.621 6.273 1.194 1.00 0.00 N ATOM 493 CA ILE A 31 3.795 5.115 0.345 1.00 0.00 C ATOM 494 C ILE A 31 5.197 5.124 -0.220 1.00 0.00 C ATOM 495 O ILE A 31 5.890 4.132 -0.177 1.00 0.00 O ATOM 496 CB ILE A 31 2.754 5.096 -0.795 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.419 4.574 -0.229 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.236 4.194 -1.962 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.308 4.703 -1.272 1.00 0.00 C ATOM 0 H ILE A 31 2.942 6.954 0.855 1.00 0.00 H new ATOM 0 HA ILE A 31 3.644 4.215 0.940 1.00 0.00 H new ATOM 0 HB ILE A 31 2.622 6.104 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.527 3.531 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.152 5.136 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.488 4.194 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.179 4.577 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.380 3.176 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.627 4.330 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.189 5.750 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.569 4.121 -2.156 1.00 0.00 H new ATOM 511 N ASP A 32 5.610 6.257 -0.741 1.00 0.00 N ATOM 512 CA ASP A 32 6.939 6.365 -1.319 1.00 0.00 C ATOM 513 C ASP A 32 8.010 6.051 -0.279 1.00 0.00 C ATOM 514 O ASP A 32 9.000 5.381 -0.572 1.00 0.00 O ATOM 515 CB ASP A 32 7.143 7.765 -1.906 1.00 0.00 C ATOM 516 CG ASP A 32 8.381 7.783 -2.798 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.248 7.462 -3.969 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.446 8.106 -2.298 1.00 0.00 O ATOM 0 H ASP A 32 5.054 7.112 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 32 7.030 5.634 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.265 8.058 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.254 8.493 -1.102 1.00 0.00 H new ATOM 523 N SER A 33 7.774 6.515 0.937 1.00 0.00 N ATOM 524 CA SER A 33 8.684 6.264 2.051 1.00 0.00 C ATOM 525 C SER A 33 8.661 4.774 2.384 1.00 0.00 C ATOM 526 O SER A 33 9.690 4.164 2.656 1.00 0.00 O ATOM 527 CB SER A 33 8.250 7.089 3.259 1.00 0.00 C ATOM 528 OG SER A 33 8.337 8.471 2.940 1.00 0.00 O ATOM 0 H SER A 33 6.955 7.072 1.182 1.00 0.00 H new ATOM 0 HA SER A 33 9.699 6.554 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.229 6.833 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.884 6.861 4.116 1.00 0.00 H new ATOM 0 HG SER A 33 7.595 8.718 2.349 1.00 0.00 H new ATOM 534 N LEU A 34 7.460 4.207 2.297 1.00 0.00 N ATOM 535 CA LEU A 34 7.225 2.779 2.514 1.00 0.00 C ATOM 536 C LEU A 34 8.032 1.988 1.488 1.00 0.00 C ATOM 537 O LEU A 34 8.785 1.078 1.822 1.00 0.00 O ATOM 538 CB LEU A 34 5.728 2.531 2.296 1.00 0.00 C ATOM 539 CG LEU A 34 4.982 2.380 3.619 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.701 3.216 3.618 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.612 0.921 3.790 1.00 0.00 C ATOM 0 H LEU A 34 6.614 4.730 2.072 1.00 0.00 H new ATOM 0 HA LEU A 34 7.524 2.471 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.301 3.359 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.592 1.631 1.697 1.00 0.00 H new ATOM 0 HG LEU A 34 5.621 2.723 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.186 3.093 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.952 4.267 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.051 2.885 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.077 0.789 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.975 0.608 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.518 0.315 3.800 1.00 0.00 H new ATOM 553 N ARG A 35 7.864 2.387 0.240 1.00 0.00 N ATOM 554 CA ARG A 35 8.566 1.776 -0.892 1.00 0.00 C ATOM 555 C ARG A 35 10.078 1.905 -0.718 1.00 0.00 C ATOM 556 O ARG A 35 10.824 0.945 -0.918 1.00 0.00 O ATOM 557 CB ARG A 35 8.159 2.499 -2.177 1.00 0.00 C ATOM 558 CG ARG A 35 6.665 2.306 -2.422 1.00 0.00 C ATOM 559 CD ARG A 35 6.222 3.128 -3.629 1.00 0.00 C ATOM 560 NE ARG A 35 6.824 2.608 -4.845 1.00 0.00 N ATOM 561 CZ ARG A 35 6.607 1.366 -5.261 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.732 0.615 -4.660 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.277 0.901 -6.270 1.00 0.00 N ATOM 0 H ARG A 35 7.236 3.146 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 35 8.301 0.720 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.390 3.561 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.729 2.111 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.450 1.251 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.102 2.609 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.136 3.104 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.508 4.171 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 35 7.431 3.215 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.208 0.979 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.570 -0.338 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.966 1.489 -6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.115 -0.052 -6.594 1.00 0.00 H new ATOM 577 N ASP A 36 10.508 3.108 -0.336 1.00 0.00 N ATOM 578 CA ASP A 36 11.923 3.399 -0.121 1.00 0.00 C ATOM 579 C ASP A 36 12.452 2.613 1.072 1.00 0.00 C ATOM 580 O ASP A 36 13.576 2.106 1.052 1.00 0.00 O ATOM 581 CB ASP A 36 12.108 4.892 0.121 1.00 0.00 C ATOM 582 CG ASP A 36 13.595 5.242 0.168 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.167 5.462 -0.887 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.141 5.283 1.261 1.00 0.00 O ATOM 0 H ASP A 36 9.890 3.902 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 36 12.482 3.103 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.619 5.459 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.631 5.177 1.058 1.00 0.00 H new ATOM 589 N ASP A 37 11.619 2.523 2.103 1.00 0.00 N ATOM 590 CA ASP A 37 11.967 1.803 3.318 1.00 0.00 C ATOM 591 C ASP A 37 10.726 1.138 3.898 1.00 0.00 C ATOM 592 O ASP A 37 9.947 1.763 4.624 1.00 0.00 O ATOM 593 CB ASP A 37 12.603 2.750 4.346 1.00 0.00 C ATOM 594 CG ASP A 37 13.277 1.945 5.462 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.581 1.205 6.141 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.478 2.077 5.621 1.00 0.00 O ATOM 0 H ASP A 37 10.690 2.945 2.119 1.00 0.00 H new ATOM 0 HA ASP A 37 12.698 1.032 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.336 3.391 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.841 3.404 4.769 1.00 0.00 H new ATOM 601 N PRO A 38 10.528 -0.115 3.574 1.00 0.00 N ATOM 602 CA PRO A 38 9.355 -0.886 4.054 1.00 0.00 C ATOM 603 C PRO A 38 9.399 -1.169 5.548 1.00 0.00 C ATOM 604 O PRO A 38 8.357 -1.298 6.190 1.00 0.00 O ATOM 605 CB PRO A 38 9.389 -2.182 3.253 1.00 0.00 C ATOM 606 CG PRO A 38 10.557 -2.125 2.324 1.00 0.00 C ATOM 607 CD PRO A 38 11.407 -0.928 2.720 1.00 0.00 C ATOM 0 HA PRO A 38 8.434 -0.321 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.476 -3.039 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.463 -2.307 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.139 -3.044 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.220 -2.030 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.304 -1.239 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.737 -0.369 1.844 1.00 0.00 H new ATOM 615 N SER A 39 10.604 -1.247 6.097 1.00 0.00 N ATOM 616 CA SER A 39 10.766 -1.492 7.524 1.00 0.00 C ATOM 617 C SER A 39 10.149 -0.330 8.293 1.00 0.00 C ATOM 618 O SER A 39 9.672 -0.486 9.419 1.00 0.00 O ATOM 619 CB SER A 39 12.249 -1.628 7.881 1.00 0.00 C ATOM 620 OG SER A 39 12.863 -2.558 6.997 1.00 0.00 O ATOM 0 H SER A 39 11.478 -1.145 5.581 1.00 0.00 H new ATOM 0 HA SER A 39 10.266 -2.423 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.743 -0.659 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.357 -1.964 8.912 1.00 0.00 H new ATOM 0 HG SER A 39 13.813 -2.646 7.222 1.00 0.00 H new ATOM 626 N GLN A 40 10.172 0.838 7.648 1.00 0.00 N ATOM 627 CA GLN A 40 9.628 2.058 8.224 1.00 0.00 C ATOM 628 C GLN A 40 8.122 2.175 7.984 1.00 0.00 C ATOM 629 O GLN A 40 7.514 3.155 8.377 1.00 0.00 O ATOM 630 CB GLN A 40 10.332 3.278 7.603 1.00 0.00 C ATOM 631 CG GLN A 40 11.373 3.848 8.571 1.00 0.00 C ATOM 632 CD GLN A 40 12.583 2.918 8.664 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.472 1.798 9.163 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.737 3.318 8.209 1.00 0.00 N ATOM 0 H GLN A 40 10.568 0.959 6.716 1.00 0.00 H new ATOM 0 HA GLN A 40 9.801 2.024 9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.815 2.990 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.596 4.044 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.690 4.835 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.929 3.976 9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.828 4.246 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.549 2.703 8.266 1.00 0.00 H new ATOM 643 N SER A 41 7.522 1.193 7.324 1.00 0.00 N ATOM 644 CA SER A 41 6.089 1.253 7.017 1.00 0.00 C ATOM 645 C SER A 41 5.260 1.601 8.254 1.00 0.00 C ATOM 646 O SER A 41 4.291 2.356 8.167 1.00 0.00 O ATOM 647 CB SER A 41 5.638 -0.115 6.498 1.00 0.00 C ATOM 648 OG SER A 41 5.735 -1.078 7.540 1.00 0.00 O ATOM 0 H SER A 41 7.994 0.352 6.992 1.00 0.00 H new ATOM 0 HA SER A 41 5.935 2.031 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.611 -0.057 6.137 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.257 -0.416 5.653 1.00 0.00 H new ATOM 0 HG SER A 41 6.612 -1.515 7.501 1.00 0.00 H new ATOM 654 N ALA A 42 5.671 1.073 9.398 1.00 0.00 N ATOM 655 CA ALA A 42 4.994 1.342 10.659 1.00 0.00 C ATOM 656 C ALA A 42 5.169 2.796 11.045 1.00 0.00 C ATOM 657 O ALA A 42 4.258 3.445 11.552 1.00 0.00 O ATOM 658 CB ALA A 42 5.635 0.497 11.745 1.00 0.00 C ATOM 0 H ALA A 42 6.476 0.452 9.479 1.00 0.00 H new ATOM 0 HA ALA A 42 3.934 1.111 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.138 0.688 12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.537 -0.558 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.691 0.753 11.830 1.00 0.00 H new ATOM 664 N ASN A 43 6.378 3.272 10.801 1.00 0.00 N ATOM 665 CA ASN A 43 6.765 4.627 11.108 1.00 0.00 C ATOM 666 C ASN A 43 6.025 5.624 10.228 1.00 0.00 C ATOM 667 O ASN A 43 5.687 6.720 10.649 1.00 0.00 O ATOM 668 CB ASN A 43 8.268 4.742 10.874 1.00 0.00 C ATOM 669 CG ASN A 43 9.036 4.278 12.108 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.995 4.932 13.149 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.738 3.181 12.052 1.00 0.00 N ATOM 0 H ASN A 43 7.123 2.717 10.379 1.00 0.00 H new ATOM 0 HA ASN A 43 6.512 4.856 12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.555 4.140 10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.528 5.775 10.643 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.254 2.864 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.771 2.640 11.188 1.00 0.00 H new ATOM 678 N LEU A 44 5.800 5.212 9.000 1.00 0.00 N ATOM 679 CA LEU A 44 5.119 6.014 7.996 1.00 0.00 C ATOM 680 C LEU A 44 3.662 6.047 8.306 1.00 0.00 C ATOM 681 O LEU A 44 2.994 7.071 8.194 1.00 0.00 O ATOM 682 CB LEU A 44 5.424 5.371 6.657 1.00 0.00 C ATOM 683 CG LEU A 44 6.947 5.357 6.555 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.429 4.410 5.476 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.401 6.768 6.298 1.00 0.00 C ATOM 0 H LEU A 44 6.089 4.294 8.661 1.00 0.00 H new ATOM 0 HA LEU A 44 5.455 7.051 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.017 4.361 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.980 5.937 5.838 1.00 0.00 H new ATOM 0 HG LEU A 44 7.378 4.990 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.518 4.429 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.092 3.398 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.024 4.720 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.488 6.792 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.962 7.128 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.082 7.408 7.121 1.00 0.00 H new ATOM 697 N LEU A 45 3.222 4.916 8.784 1.00 0.00 N ATOM 698 CA LEU A 45 1.864 4.764 9.245 1.00 0.00 C ATOM 699 C LEU A 45 1.709 5.663 10.463 1.00 0.00 C ATOM 700 O LEU A 45 0.693 6.320 10.656 1.00 0.00 O ATOM 701 CB LEU A 45 1.609 3.295 9.592 1.00 0.00 C ATOM 702 CG LEU A 45 0.343 3.142 10.440 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.862 3.750 9.714 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.111 1.652 10.694 1.00 0.00 C ATOM 0 H LEU A 45 3.791 4.073 8.866 1.00 0.00 H new ATOM 0 HA LEU A 45 1.139 5.048 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.509 2.713 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.465 2.892 10.134 1.00 0.00 H new ATOM 0 HG LEU A 45 0.465 3.667 11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.754 3.633 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.681 4.810 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.009 3.240 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.787 1.521 11.297 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.013 1.136 9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.968 1.236 11.224 1.00 0.00 H new ATOM 716 N ALA A 46 2.772 5.701 11.253 1.00 0.00 N ATOM 717 CA ALA A 46 2.824 6.533 12.440 1.00 0.00 C ATOM 718 C ALA A 46 2.783 7.991 12.044 1.00 0.00 C ATOM 719 O ALA A 46 2.041 8.795 12.612 1.00 0.00 O ATOM 720 CB ALA A 46 4.127 6.283 13.192 1.00 0.00 C ATOM 0 H ALA A 46 3.619 5.157 11.088 1.00 0.00 H new ATOM 0 HA ALA A 46 1.971 6.288 13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.160 6.911 14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.182 5.235 13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.972 6.524 12.547 1.00 0.00 H new ATOM 726 N GLU A 47 3.592 8.303 11.043 1.00 0.00 N ATOM 727 CA GLU A 47 3.683 9.637 10.513 1.00 0.00 C ATOM 728 C GLU A 47 2.358 10.037 9.924 1.00 0.00 C ATOM 729 O GLU A 47 1.939 11.178 10.023 1.00 0.00 O ATOM 730 CB GLU A 47 4.723 9.653 9.403 1.00 0.00 C ATOM 731 CG GLU A 47 6.146 9.742 9.946 1.00 0.00 C ATOM 732 CD GLU A 47 6.285 10.877 10.970 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.949 12.003 10.637 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.717 10.598 12.077 1.00 0.00 O ATOM 0 H GLU A 47 4.202 7.629 10.580 1.00 0.00 H new ATOM 0 HA GLU A 47 3.959 10.327 11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.622 8.751 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.534 10.500 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.419 8.795 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.842 9.905 9.123 1.00 0.00 H new ATOM 741 N ALA A 48 1.710 9.072 9.306 1.00 0.00 N ATOM 742 CA ALA A 48 0.439 9.294 8.691 1.00 0.00 C ATOM 743 C ALA A 48 -0.599 9.555 9.757 1.00 0.00 C ATOM 744 O ALA A 48 -1.371 10.496 9.652 1.00 0.00 O ATOM 745 CB ALA A 48 0.095 8.067 7.889 1.00 0.00 C ATOM 0 H ALA A 48 2.057 8.117 9.221 1.00 0.00 H new ATOM 0 HA ALA A 48 0.468 10.163 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.872 8.207 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.859 7.903 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.049 7.201 8.550 1.00 0.00 H new ATOM 751 N LYS A 49 -0.573 8.741 10.809 1.00 0.00 N ATOM 752 CA LYS A 49 -1.484 8.927 11.928 1.00 0.00 C ATOM 753 C LYS A 49 -1.227 10.297 12.531 1.00 0.00 C ATOM 754 O LYS A 49 -2.140 10.945 13.034 1.00 0.00 O ATOM 755 CB LYS A 49 -1.279 7.828 12.981 1.00 0.00 C ATOM 756 CG LYS A 49 -1.734 6.470 12.419 1.00 0.00 C ATOM 757 CD LYS A 49 -3.265 6.347 12.494 1.00 0.00 C ATOM 758 CE LYS A 49 -3.722 5.076 11.766 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.049 3.883 12.361 1.00 0.00 N ATOM 0 H LYS A 49 0.066 7.952 10.907 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.515 8.862 11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.229 7.779 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.844 8.066 13.882 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.404 6.368 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.269 5.661 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.586 6.316 13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.732 7.223 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.804 4.971 11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.484 5.148 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.412 3.019 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.023 3.950 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.243 3.849 13.382 1.00 0.00 H new ATOM 773 N LYS A 50 0.034 10.737 12.445 1.00 0.00 N ATOM 774 CA LYS A 50 0.428 12.030 12.950 1.00 0.00 C ATOM 775 C LYS A 50 -0.065 13.129 12.028 1.00 0.00 C ATOM 776 O LYS A 50 -0.576 14.154 12.478 1.00 0.00 O ATOM 777 CB LYS A 50 1.955 12.078 13.080 1.00 0.00 C ATOM 778 CG LYS A 50 2.405 13.356 13.801 1.00 0.00 C ATOM 779 CD LYS A 50 3.837 13.701 13.374 1.00 0.00 C ATOM 780 CE LYS A 50 4.832 12.720 14.006 1.00 0.00 C ATOM 781 NZ LYS A 50 6.202 13.012 13.498 1.00 0.00 N ATOM 0 H LYS A 50 0.794 10.202 12.025 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.019 12.188 13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.305 11.204 13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.409 12.035 12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.733 14.179 13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.359 13.213 14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.919 13.663 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.078 14.720 13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.808 12.809 15.092 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.553 11.695 13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.616 12.146 13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.150 13.743 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.797 13.352 14.280 1.00 0.00 H new ATOM 795 N LEU A 51 0.095 12.894 10.733 1.00 0.00 N ATOM 796 CA LEU A 51 -0.329 13.853 9.733 1.00 0.00 C ATOM 797 C LEU A 51 -1.842 13.918 9.702 1.00 0.00 C ATOM 798 O LEU A 51 -2.432 14.994 9.634 1.00 0.00 O ATOM 799 CB LEU A 51 0.213 13.470 8.349 1.00 0.00 C ATOM 800 CG LEU A 51 1.536 14.198 8.051 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.359 15.715 8.206 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.644 13.699 8.992 1.00 0.00 C ATOM 0 H LEU A 51 0.516 12.046 10.354 1.00 0.00 H new ATOM 0 HA LEU A 51 0.070 14.833 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.369 12.392 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.523 13.720 7.585 1.00 0.00 H new ATOM 0 HG LEU A 51 1.824 13.982 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.303 16.215 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.597 16.065 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.051 15.943 9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.574 14.223 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.357 13.892 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.788 12.628 8.849 1.00 0.00 H new ATOM 814 N ASN A 52 -2.453 12.745 9.782 1.00 0.00 N ATOM 815 CA ASN A 52 -3.889 12.629 9.796 1.00 0.00 C ATOM 816 C ASN A 52 -4.433 13.329 11.024 1.00 0.00 C ATOM 817 O ASN A 52 -5.396 14.086 10.944 1.00 0.00 O ATOM 818 CB ASN A 52 -4.274 11.157 9.843 1.00 0.00 C ATOM 819 CG ASN A 52 -5.782 11.009 9.882 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.419 10.977 8.841 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.393 10.921 11.031 1.00 0.00 N ATOM 0 H ASN A 52 -1.961 11.853 9.839 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.304 13.087 8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.874 10.641 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.833 10.686 10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.408 10.825 11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.856 10.948 11.898 1.00 0.00 H new ATOM 828 N ASP A 53 -3.785 13.066 12.162 1.00 0.00 N ATOM 829 CA ASP A 53 -4.189 13.674 13.416 1.00 0.00 C ATOM 830 C ASP A 53 -4.011 15.184 13.343 1.00 0.00 C ATOM 831 O ASP A 53 -4.858 15.947 13.809 1.00 0.00 O ATOM 832 CB ASP A 53 -3.375 13.104 14.578 1.00 0.00 C ATOM 833 CG ASP A 53 -3.864 13.681 15.906 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.365 14.723 16.299 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.734 13.075 16.507 1.00 0.00 O ATOM 0 H ASP A 53 -2.984 12.439 12.233 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.241 13.447 13.589 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.462 12.018 14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.319 13.338 14.440 1.00 0.00 H new ATOM 840 N ALA A 54 -2.902 15.599 12.732 1.00 0.00 N ATOM 841 CA ALA A 54 -2.605 17.010 12.567 1.00 0.00 C ATOM 842 C ALA A 54 -3.655 17.645 11.660 1.00 0.00 C ATOM 843 O ALA A 54 -4.088 18.776 11.888 1.00 0.00 O ATOM 844 CB ALA A 54 -1.213 17.175 11.953 1.00 0.00 C ATOM 0 H ALA A 54 -2.197 14.972 12.344 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.624 17.504 13.539 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.993 18.235 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.470 16.724 12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.184 16.683 10.981 1.00 0.00 H new ATOM 850 N GLN A 55 -4.065 16.887 10.641 1.00 0.00 N ATOM 851 CA GLN A 55 -5.076 17.345 9.694 1.00 0.00 C ATOM 852 C GLN A 55 -6.484 17.007 10.193 1.00 0.00 C ATOM 853 O GLN A 55 -7.477 17.301 9.522 1.00 0.00 O ATOM 854 CB GLN A 55 -4.821 16.676 8.345 1.00 0.00 C ATOM 855 CG GLN A 55 -3.561 17.272 7.709 1.00 0.00 C ATOM 856 CD GLN A 55 -3.130 16.419 6.526 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.757 15.192 6.735 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.136 16.878 5.384 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.709 15.950 10.453 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.010 18.428 9.592 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.701 15.601 8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.677 16.822 7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.756 18.293 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.759 17.321 8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.429 17.842 5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.848 16.295 4.598 1.00 0.00 H new ATOM 867 N ALA A 56 -6.561 16.389 11.376 1.00 0.00 N ATOM 868 CA ALA A 56 -7.845 16.012 11.966 1.00 0.00 C ATOM 869 C ALA A 56 -8.583 17.241 12.483 1.00 0.00 C ATOM 870 O ALA A 56 -7.997 18.318 12.613 1.00 0.00 O ATOM 871 CB ALA A 56 -7.631 15.009 13.108 1.00 0.00 C ATOM 0 H ALA A 56 -5.749 16.140 11.941 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.452 15.544 11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.595 14.737 13.538 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.141 14.116 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.005 15.461 13.877 1.00 0.00 H new ATOM 877 N PRO A 57 -9.857 17.100 12.766 1.00 0.00 N ATOM 878 CA PRO A 57 -10.714 18.206 13.264 1.00 0.00 C ATOM 879 C PRO A 57 -10.538 18.426 14.765 1.00 0.00 C ATOM 880 O PRO A 57 -11.482 18.757 15.487 1.00 0.00 O ATOM 881 CB PRO A 57 -12.137 17.736 12.901 1.00 0.00 C ATOM 882 CG PRO A 57 -11.991 16.412 12.223 1.00 0.00 C ATOM 883 CD PRO A 57 -10.651 15.874 12.657 1.00 0.00 C ATOM 0 HA PRO A 57 -10.468 19.172 12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.755 17.647 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.627 18.455 12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.796 15.735 12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.037 16.520 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.712 15.341 13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.233 15.180 11.928 1.00 0.00 H new ATOM 891 N LYS A 58 -9.305 18.235 15.207 1.00 0.00 N ATOM 892 CA LYS A 58 -8.941 18.397 16.612 1.00 0.00 C ATOM 893 C LYS A 58 -8.589 19.853 16.919 1.00 0.00 C ATOM 894 O LYS A 58 -7.899 20.461 16.116 1.00 0.00 O ATOM 895 CB LYS A 58 -7.751 17.500 16.930 1.00 0.00 C ATOM 896 CG LYS A 58 -8.181 16.026 16.871 1.00 0.00 C ATOM 897 CD LYS A 58 -6.948 15.113 16.925 1.00 0.00 C ATOM 898 CE LYS A 58 -6.227 15.262 18.273 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.059 16.172 18.110 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.014 20.340 17.954 1.00 0.00 O ATOM 0 H LYS A 58 -8.527 17.964 14.606 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.793 18.114 17.230 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.946 17.682 16.218 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.361 17.735 17.920 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.847 15.800 17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.741 15.839 15.955 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.250 14.076 16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.267 15.364 16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.911 15.661 19.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.896 14.287 18.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.579 16.288 19.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.396 15.765 17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.386 17.099 17.771 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.031 -6.830 1.649 1.00 0.00 N ATOM 916 CA VAL B 1 -14.227 -6.275 2.778 1.00 0.00 C ATOM 917 C VAL B 1 -14.236 -7.270 3.940 1.00 0.00 C ATOM 918 O VAL B 1 -13.207 -7.499 4.579 1.00 0.00 O ATOM 919 CB VAL B 1 -14.815 -4.914 3.207 1.00 0.00 C ATOM 920 CG1 VAL B 1 -16.263 -5.080 3.699 1.00 0.00 C ATOM 921 CG2 VAL B 1 -13.960 -4.309 4.331 1.00 0.00 C ATOM 0 H1 VAL B 1 -15.141 -6.105 0.912 1.00 0.00 H new ATOM 0 H2 VAL B 1 -14.544 -7.658 1.250 1.00 0.00 H new ATOM 0 H3 VAL B 1 -15.969 -7.115 1.998 1.00 0.00 H new ATOM 0 HA VAL B 1 -13.195 -6.119 2.464 1.00 0.00 H new ATOM 0 HB VAL B 1 -14.811 -4.249 2.344 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -16.660 -4.109 3.997 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -16.875 -5.491 2.896 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -16.282 -5.757 4.553 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -14.379 -3.348 4.630 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -13.953 -4.984 5.187 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.940 -4.165 3.975 1.00 0.00 H new ATOM 933 N ASP B 2 -15.406 -7.861 4.194 1.00 0.00 N ATOM 934 CA ASP B 2 -15.561 -8.841 5.270 1.00 0.00 C ATOM 935 C ASP B 2 -14.931 -10.179 4.875 1.00 0.00 C ATOM 936 O ASP B 2 -14.886 -11.116 5.674 1.00 0.00 O ATOM 937 CB ASP B 2 -17.053 -9.037 5.565 1.00 0.00 C ATOM 938 CG ASP B 2 -17.770 -9.560 4.318 1.00 0.00 C ATOM 939 OD1 ASP B 2 -18.075 -8.754 3.453 1.00 0.00 O ATOM 940 OD2 ASP B 2 -17.990 -10.757 4.242 1.00 0.00 O ATOM 0 H ASP B 2 -16.260 -7.677 3.668 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.054 -8.471 6.161 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.180 -9.739 6.389 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -17.497 -8.093 5.880 1.00 0.00 H new ATOM 945 N ASN B 3 -14.444 -10.246 3.636 1.00 0.00 N ATOM 946 CA ASN B 3 -13.812 -11.450 3.114 1.00 0.00 C ATOM 947 C ASN B 3 -12.506 -11.745 3.852 1.00 0.00 C ATOM 948 O ASN B 3 -11.926 -10.857 4.483 1.00 0.00 O ATOM 949 CB ASN B 3 -13.524 -11.268 1.616 1.00 0.00 C ATOM 950 CG ASN B 3 -12.858 -9.910 1.364 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.428 -9.056 0.686 1.00 0.00 O ATOM 952 ND2 ASN B 3 -11.683 -9.659 1.874 1.00 0.00 N ATOM 0 H ASN B 3 -14.478 -9.472 2.973 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.491 -12.290 3.264 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.875 -12.070 1.263 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -14.453 -11.336 1.049 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -11.238 -8.756 1.710 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -11.209 -10.366 2.436 1.00 0.00 H new ATOM 959 N LYS B 4 -12.041 -12.991 3.752 1.00 0.00 N ATOM 960 CA LYS B 4 -10.793 -13.390 4.401 1.00 0.00 C ATOM 961 C LYS B 4 -9.594 -12.770 3.688 1.00 0.00 C ATOM 962 O LYS B 4 -8.462 -12.837 4.173 1.00 0.00 O ATOM 963 CB LYS B 4 -10.658 -14.923 4.419 1.00 0.00 C ATOM 964 CG LYS B 4 -10.816 -15.492 2.995 1.00 0.00 C ATOM 965 CD LYS B 4 -9.624 -16.397 2.641 1.00 0.00 C ATOM 966 CE LYS B 4 -8.407 -15.554 2.230 1.00 0.00 C ATOM 967 NZ LYS B 4 -7.498 -15.377 3.399 1.00 0.00 N ATOM 0 H LYS B 4 -12.506 -13.735 3.232 1.00 0.00 H new ATOM 0 HA LYS B 4 -10.815 -13.028 5.429 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -9.686 -15.204 4.824 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -11.414 -15.354 5.076 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -11.744 -16.059 2.925 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.886 -14.675 2.276 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.368 -17.021 3.497 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.899 -17.068 1.828 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -7.874 -16.042 1.414 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.734 -14.582 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -6.510 -15.455 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -7.654 -14.440 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -7.695 -16.113 4.107 1.00 0.00 H new ATOM 981 N PHE B 5 -9.860 -12.177 2.526 1.00 0.00 N ATOM 982 CA PHE B 5 -8.824 -11.555 1.724 1.00 0.00 C ATOM 983 C PHE B 5 -8.316 -10.262 2.340 1.00 0.00 C ATOM 984 O PHE B 5 -7.453 -9.623 1.767 1.00 0.00 O ATOM 985 CB PHE B 5 -9.334 -11.315 0.300 1.00 0.00 C ATOM 986 CG PHE B 5 -9.374 -12.647 -0.400 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.325 -13.601 -0.019 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.446 -12.939 -1.405 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.343 -14.850 -0.643 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.469 -14.186 -2.032 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.415 -15.143 -1.649 1.00 0.00 C ATOM 0 H PHE B 5 -10.794 -12.117 2.121 1.00 0.00 H new ATOM 0 HA PHE B 5 -7.978 -12.242 1.690 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.326 -10.863 0.320 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.679 -10.624 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.042 -13.372 0.755 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.713 -12.201 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.073 -15.590 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.757 -14.412 -2.812 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.429 -16.110 -2.130 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.813 -9.893 3.522 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.313 -8.686 4.181 1.00 0.00 C ATOM 1003 C ASN B 6 -6.823 -8.865 4.423 1.00 0.00 C ATOM 1004 O ASN B 6 -6.030 -7.986 4.109 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.054 -8.447 5.504 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.660 -7.099 6.114 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -8.162 -6.158 5.358 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -8.812 -6.898 7.318 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.540 -10.396 4.030 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.485 -7.815 3.549 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.130 -8.473 5.333 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.824 -9.249 6.205 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.201 -7.630 7.912 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -8.549 -5.999 7.722 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.462 -10.046 4.923 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.062 -10.388 5.149 1.00 0.00 C ATOM 1017 C LYS B 7 -4.338 -10.500 3.808 1.00 0.00 C ATOM 1018 O LYS B 7 -3.212 -10.027 3.652 1.00 0.00 O ATOM 1019 CB LYS B 7 -4.977 -11.727 5.899 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.506 -12.141 6.072 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.406 -13.380 6.977 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.771 -14.646 6.187 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.665 -14.981 5.244 1.00 0.00 N ATOM 0 H LYS B 7 -7.121 -10.781 5.179 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.589 -9.609 5.747 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.455 -11.638 6.874 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.518 -12.497 5.348 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.064 -12.356 5.099 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -2.938 -11.318 6.506 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.394 -13.469 7.373 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.074 -13.270 7.831 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.944 -15.477 6.871 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -4.698 -14.489 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.003 -14.887 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.868 -14.331 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.352 -15.959 5.410 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.010 -11.144 2.853 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.462 -11.352 1.515 1.00 0.00 C ATOM 1039 C GLU B 8 -4.267 -10.023 0.782 1.00 0.00 C ATOM 1040 O GLU B 8 -3.303 -9.845 0.033 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.426 -12.236 0.702 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.667 -13.575 1.422 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.345 -14.283 1.725 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.591 -14.522 0.795 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.113 -14.581 2.883 1.00 0.00 O ATOM 0 H GLU B 8 -5.943 -11.533 2.985 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.491 -11.837 1.616 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.374 -11.716 0.561 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.012 -12.419 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.210 -13.400 2.351 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.293 -14.217 0.803 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.206 -9.105 1.002 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.183 -7.794 0.373 1.00 0.00 C ATOM 1054 C ARG B 9 -3.938 -7.020 0.794 1.00 0.00 C ATOM 1055 O ARG B 9 -3.289 -6.394 -0.039 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.443 -7.014 0.776 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.465 -5.642 0.089 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.745 -4.894 0.475 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.769 -4.653 1.917 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.899 -4.718 2.612 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.599 -5.816 2.619 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.307 -3.684 3.290 1.00 0.00 N ATOM 0 H ARG B 9 -6.002 -9.253 1.622 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.161 -7.921 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.333 -7.580 0.500 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.469 -6.886 1.858 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.590 -5.062 0.384 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.416 -5.765 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.798 -3.946 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.619 -5.476 0.181 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.899 -4.430 2.400 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.280 -6.628 2.090 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.467 -5.864 3.153 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.759 -2.824 3.287 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.175 -3.734 3.824 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.600 -7.081 2.089 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.419 -6.378 2.584 1.00 0.00 C ATOM 1078 C VAL B 10 -1.168 -6.951 1.932 1.00 0.00 C ATOM 1079 O VAL B 10 -0.241 -6.213 1.631 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.316 -6.341 4.140 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.655 -6.699 4.817 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.225 -7.278 4.649 1.00 0.00 C ATOM 0 H VAL B 10 -4.119 -7.600 2.797 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.518 -5.332 2.295 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.058 -5.316 4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.537 -6.661 5.900 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.420 -5.986 4.510 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.956 -7.704 4.520 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.180 -7.227 5.737 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.450 -8.299 4.342 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.264 -6.978 4.232 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.148 -8.265 1.706 1.00 0.00 N ATOM 1093 CA ILE B 11 0.009 -8.891 1.070 1.00 0.00 C ATOM 1094 C ILE B 11 0.220 -8.276 -0.317 1.00 0.00 C ATOM 1095 O ILE B 11 1.358 -8.037 -0.721 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.165 -10.413 0.934 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.642 -11.030 2.281 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.182 -11.023 0.494 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.415 -11.958 2.909 1.00 0.00 C ATOM 0 H ILE B 11 -1.904 -8.905 1.949 1.00 0.00 H new ATOM 0 HA ILE B 11 0.878 -8.710 1.703 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.926 -10.634 0.186 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.880 -10.229 2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.562 -11.591 2.115 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.076 -12.103 0.393 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.479 -10.596 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.943 -10.801 1.242 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.033 -12.362 3.846 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.634 -12.776 2.223 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.327 -11.393 3.102 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.887 -8.002 -1.032 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.803 -7.395 -2.350 1.00 0.00 C ATOM 1113 C ALA B 12 -0.290 -5.997 -2.215 1.00 0.00 C ATOM 1114 O ALA B 12 0.666 -5.646 -2.876 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.185 -7.372 -2.995 1.00 0.00 C ATOM 0 H ALA B 12 -1.837 -8.194 -0.713 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.126 -7.976 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.118 -6.916 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.559 -8.391 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.867 -6.792 -2.373 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.881 -5.235 -1.296 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.435 -3.870 -1.052 1.00 0.00 C ATOM 1123 C ILE B 13 1.040 -3.942 -0.708 1.00 0.00 C ATOM 1124 O ILE B 13 1.832 -3.119 -1.124 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.249 -3.265 0.113 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.735 -3.328 -0.227 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.895 -1.792 0.328 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.574 -3.093 1.015 1.00 0.00 C ATOM 0 H ILE B 13 -1.662 -5.538 -0.715 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.585 -3.234 -1.925 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.017 -3.835 1.013 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.974 -2.578 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.975 -4.301 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.484 -1.393 1.154 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.166 -1.703 0.562 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.115 -1.229 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.631 -3.141 0.754 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.348 -3.859 1.757 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.347 -2.110 1.427 1.00 0.00 H new ATOM 1140 N GLY B 14 1.391 -4.988 0.012 1.00 0.00 N ATOM 1141 CA GLY B 14 2.771 -5.232 0.388 1.00 0.00 C ATOM 1142 C GLY B 14 3.645 -5.522 -0.825 1.00 0.00 C ATOM 1143 O GLY B 14 4.777 -5.060 -0.903 1.00 0.00 O ATOM 0 H GLY B 14 0.733 -5.690 0.352 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.162 -4.364 0.919 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.816 -6.074 1.078 1.00 0.00 H new ATOM 1147 N GLU B 15 3.114 -6.295 -1.768 1.00 0.00 N ATOM 1148 CA GLU B 15 3.862 -6.655 -2.962 1.00 0.00 C ATOM 1149 C GLU B 15 4.038 -5.447 -3.856 1.00 0.00 C ATOM 1150 O GLU B 15 5.124 -5.204 -4.375 1.00 0.00 O ATOM 1151 CB GLU B 15 3.100 -7.751 -3.708 1.00 0.00 C ATOM 1152 CG GLU B 15 4.008 -8.461 -4.726 1.00 0.00 C ATOM 1153 CD GLU B 15 3.761 -9.972 -4.689 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.615 -10.375 -4.821 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.723 -10.706 -4.537 1.00 0.00 O ATOM 0 H GLU B 15 2.171 -6.682 -1.726 1.00 0.00 H new ATOM 0 HA GLU B 15 4.850 -7.018 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.710 -8.477 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.242 -7.317 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.814 -8.078 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU B 15 5.054 -8.250 -4.501 1.00 0.00 H new ATOM 1162 N ILE B 16 2.954 -4.697 -4.031 1.00 0.00 N ATOM 1163 CA ILE B 16 2.990 -3.503 -4.892 1.00 0.00 C ATOM 1164 C ILE B 16 4.024 -2.516 -4.371 1.00 0.00 C ATOM 1165 O ILE B 16 4.914 -2.074 -5.100 1.00 0.00 O ATOM 1166 CB ILE B 16 1.620 -2.804 -4.893 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.516 -3.874 -4.791 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.474 -1.938 -6.155 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.621 -3.635 -5.740 1.00 0.00 C ATOM 0 H ILE B 16 2.049 -4.884 -3.599 1.00 0.00 H new ATOM 0 HA ILE B 16 3.247 -3.822 -5.902 1.00 0.00 H new ATOM 0 HB ILE B 16 1.530 -2.138 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.948 -4.855 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.132 -3.896 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.501 -1.446 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.261 -1.184 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.556 -2.568 -7.040 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.366 -4.422 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.076 -2.668 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.248 -3.641 -6.764 1.00 0.00 H new ATOM 1181 N MET B 17 3.894 -2.211 -3.091 1.00 0.00 N ATOM 1182 CA MET B 17 4.805 -1.306 -2.403 1.00 0.00 C ATOM 1183 C MET B 17 6.243 -1.828 -2.499 1.00 0.00 C ATOM 1184 O MET B 17 7.192 -1.046 -2.591 1.00 0.00 O ATOM 1185 CB MET B 17 4.346 -1.182 -0.961 1.00 0.00 C ATOM 1186 CG MET B 17 2.914 -0.620 -0.945 1.00 0.00 C ATOM 1187 SD MET B 17 2.941 1.112 -1.410 1.00 0.00 S ATOM 1188 CE MET B 17 3.866 1.666 0.020 1.00 0.00 C ATOM 0 H MET B 17 3.153 -2.583 -2.497 1.00 0.00 H new ATOM 0 HA MET B 17 4.793 -0.320 -2.868 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.375 -2.155 -0.470 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.016 -0.525 -0.407 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.284 -1.182 -1.635 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.479 -0.733 0.048 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.296 2.431 0.548 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.046 0.822 0.686 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.820 2.083 -0.303 1.00 0.00 H new ATOM 1198 N ARG B 18 6.388 -3.159 -2.500 1.00 0.00 N ATOM 1199 CA ARG B 18 7.695 -3.798 -2.608 1.00 0.00 C ATOM 1200 C ARG B 18 8.264 -3.729 -4.027 1.00 0.00 C ATOM 1201 O ARG B 18 9.482 -3.628 -4.195 1.00 0.00 O ATOM 1202 CB ARG B 18 7.589 -5.246 -2.171 1.00 0.00 C ATOM 1203 CG ARG B 18 8.012 -5.354 -0.698 1.00 0.00 C ATOM 1204 CD ARG B 18 9.045 -6.459 -0.540 1.00 0.00 C ATOM 1205 NE ARG B 18 8.473 -7.571 0.207 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.319 -8.773 -0.340 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.582 -8.914 -1.407 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.893 -9.813 0.195 1.00 0.00 N ATOM 0 H ARG B 18 5.609 -3.813 -2.427 1.00 0.00 H new ATOM 0 HA ARG B 18 8.380 -3.254 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.567 -5.604 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.226 -5.875 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.426 -4.405 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.143 -5.564 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.377 -6.801 -1.520 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.924 -6.075 -0.022 1.00 0.00 H new ATOM 0 HE ARG B 18 8.183 -7.424 1.174 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.124 -8.102 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.464 -9.836 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.462 -9.706 1.035 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.774 -10.734 -0.226 1.00 0.00 H new ATOM 1222 N LEU B 19 7.390 -3.801 -5.045 1.00 0.00 N ATOM 1223 CA LEU B 19 7.846 -3.758 -6.441 1.00 0.00 C ATOM 1224 C LEU B 19 8.764 -2.558 -6.657 1.00 0.00 C ATOM 1225 O LEU B 19 8.329 -1.416 -6.526 1.00 0.00 O ATOM 1226 CB LEU B 19 6.662 -3.656 -7.413 1.00 0.00 C ATOM 1227 CG LEU B 19 5.877 -4.972 -7.485 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.552 -4.730 -8.204 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.672 -6.013 -8.260 1.00 0.00 C ATOM 0 H LEU B 19 6.380 -3.888 -4.929 1.00 0.00 H new ATOM 0 HA LEU B 19 8.386 -4.684 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.998 -2.852 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.027 -3.394 -8.406 1.00 0.00 H new ATOM 0 HG LEU B 19 5.697 -5.333 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.991 -5.663 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.971 -3.988 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.747 -4.366 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.106 -6.943 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.857 -5.651 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.624 -6.191 -7.759 1.00 0.00 H new ATOM 1241 N PRO B 20 10.020 -2.790 -6.964 1.00 0.00 N ATOM 1242 CA PRO B 20 11.008 -1.701 -7.174 1.00 0.00 C ATOM 1243 C PRO B 20 10.855 -0.972 -8.513 1.00 0.00 C ATOM 1244 O PRO B 20 11.632 -0.060 -8.804 1.00 0.00 O ATOM 1245 CB PRO B 20 12.370 -2.408 -7.090 1.00 0.00 C ATOM 1246 CG PRO B 20 12.109 -3.851 -6.821 1.00 0.00 C ATOM 1247 CD PRO B 20 10.653 -4.108 -7.150 1.00 0.00 C ATOM 0 HA PRO B 20 10.875 -0.915 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.924 -2.285 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.979 -1.974 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.758 -4.480 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.317 -4.092 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.530 -4.472 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.219 -4.859 -6.490 1.00 0.00 H new ATOM 1255 N ASN B 21 9.870 -1.370 -9.332 1.00 0.00 N ATOM 1256 CA ASN B 21 9.676 -0.727 -10.632 1.00 0.00 C ATOM 1257 C ASN B 21 8.402 0.117 -10.653 1.00 0.00 C ATOM 1258 O ASN B 21 8.230 0.951 -11.542 1.00 0.00 O ATOM 1259 CB ASN B 21 9.616 -1.791 -11.731 1.00 0.00 C ATOM 1260 CG ASN B 21 10.895 -2.627 -11.754 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.962 -2.160 -11.354 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.846 -3.848 -12.207 1.00 0.00 N ATOM 0 H ASN B 21 9.210 -2.118 -9.120 1.00 0.00 H new ATOM 0 HA ASN B 21 10.521 -0.062 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.756 -2.440 -11.567 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.473 -1.311 -12.699 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.692 -4.418 -12.230 1.00 0.00 H new ATOM 0 HD22 ASN B 21 9.962 -4.234 -12.538 1.00 0.00 H new ATOM 1269 N LEU B 22 7.512 -0.094 -9.676 1.00 0.00 N ATOM 1270 CA LEU B 22 6.266 0.672 -9.619 1.00 0.00 C ATOM 1271 C LEU B 22 6.485 2.086 -9.105 1.00 0.00 C ATOM 1272 O LEU B 22 7.478 2.388 -8.441 1.00 0.00 O ATOM 1273 CB LEU B 22 5.216 -0.005 -8.718 1.00 0.00 C ATOM 1274 CG LEU B 22 4.711 -1.318 -9.315 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.409 -1.722 -8.622 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.437 -1.134 -10.790 1.00 0.00 C ATOM 0 H LEU B 22 7.629 -0.777 -8.927 1.00 0.00 H new ATOM 0 HA LEU B 22 5.902 0.710 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.650 -0.196 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.375 0.673 -8.569 1.00 0.00 H new ATOM 0 HG LEU B 22 5.467 -2.090 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.047 -2.658 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.590 -1.853 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.661 -0.943 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.077 -2.072 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.681 -0.361 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.355 -0.836 -11.296 1.00 0.00 H new ATOM 1288 N ASN B 23 5.511 2.930 -9.416 1.00 0.00 N ATOM 1289 CA ASN B 23 5.510 4.319 -8.996 1.00 0.00 C ATOM 1290 C ASN B 23 4.645 4.431 -7.741 1.00 0.00 C ATOM 1291 O ASN B 23 3.752 3.610 -7.536 1.00 0.00 O ATOM 1292 CB ASN B 23 4.937 5.146 -10.168 1.00 0.00 C ATOM 1293 CG ASN B 23 4.123 6.347 -9.723 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.989 6.520 -10.153 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.641 7.201 -8.911 1.00 0.00 N ATOM 0 H ASN B 23 4.696 2.666 -9.970 1.00 0.00 H new ATOM 0 HA ASN B 23 6.506 4.690 -8.754 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.759 5.488 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.311 4.501 -10.785 1.00 0.00 H new ATOM 0 HD21 ASN B 23 4.107 8.022 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.585 7.057 -8.553 1.00 0.00 H new ATOM 1302 N SER B 24 4.892 5.445 -6.913 1.00 0.00 N ATOM 1303 CA SER B 24 4.095 5.621 -5.700 1.00 0.00 C ATOM 1304 C SER B 24 2.633 5.843 -6.079 1.00 0.00 C ATOM 1305 O SER B 24 1.730 5.287 -5.455 1.00 0.00 O ATOM 1306 CB SER B 24 4.630 6.795 -4.877 1.00 0.00 C ATOM 1307 OG SER B 24 4.741 7.941 -5.706 1.00 0.00 O ATOM 0 H SER B 24 5.622 6.144 -7.055 1.00 0.00 H new ATOM 0 HA SER B 24 4.166 4.722 -5.087 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.962 7.001 -4.041 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.602 6.543 -4.454 1.00 0.00 H new ATOM 0 HG SER B 24 5.359 8.582 -5.297 1.00 0.00 H new ATOM 1313 N LEU B 25 2.421 6.630 -7.136 1.00 0.00 N ATOM 1314 CA LEU B 25 1.081 6.900 -7.637 1.00 0.00 C ATOM 1315 C LEU B 25 0.486 5.651 -8.289 1.00 0.00 C ATOM 1316 O LEU B 25 -0.707 5.384 -8.150 1.00 0.00 O ATOM 1317 CB LEU B 25 1.107 8.059 -8.646 1.00 0.00 C ATOM 1318 CG LEU B 25 0.331 9.248 -8.104 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.345 10.393 -9.127 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.103 8.812 -7.827 1.00 0.00 C ATOM 0 H LEU B 25 3.166 7.090 -7.660 1.00 0.00 H new ATOM 0 HA LEU B 25 0.454 7.184 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.138 8.351 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.675 7.735 -9.593 1.00 0.00 H new ATOM 0 HG LEU B 25 0.793 9.602 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.213 11.241 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.374 10.695 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.116 10.057 -10.056 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.671 9.657 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.562 8.462 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.103 8.006 -7.094 1.00 0.00 H new ATOM 1332 N GLN B 26 1.329 4.875 -8.984 1.00 0.00 N ATOM 1333 CA GLN B 26 0.865 3.650 -9.625 1.00 0.00 C ATOM 1334 C GLN B 26 0.396 2.679 -8.563 1.00 0.00 C ATOM 1335 O GLN B 26 -0.607 1.986 -8.723 1.00 0.00 O ATOM 1336 CB GLN B 26 2.003 2.995 -10.401 1.00 0.00 C ATOM 1337 CG GLN B 26 2.212 3.691 -11.747 1.00 0.00 C ATOM 1338 CD GLN B 26 3.372 3.037 -12.494 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.103 2.137 -11.890 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.620 3.354 -13.655 1.00 0.00 N flip ATOM 0 H GLN B 26 2.321 5.075 -9.112 1.00 0.00 H new ATOM 0 HA GLN B 26 0.052 3.899 -10.307 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.922 3.041 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.780 1.940 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.302 3.629 -12.344 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.419 4.750 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.049 4.056 -14.125 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.397 2.915 -14.149 1.00 0.00 H new ATOM 1349 N VAL B 27 1.138 2.661 -7.468 1.00 0.00 N ATOM 1350 CA VAL B 27 0.821 1.800 -6.349 1.00 0.00 C ATOM 1351 C VAL B 27 -0.502 2.229 -5.758 1.00 0.00 C ATOM 1352 O VAL B 27 -1.338 1.394 -5.459 1.00 0.00 O ATOM 1353 CB VAL B 27 1.952 1.837 -5.318 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.574 1.003 -4.086 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.219 1.258 -5.965 1.00 0.00 C ATOM 0 H VAL B 27 1.968 3.238 -7.333 1.00 0.00 H new ATOM 0 HA VAL B 27 0.727 0.767 -6.682 1.00 0.00 H new ATOM 0 HB VAL B 27 2.126 2.865 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.386 1.037 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.668 1.409 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.399 -0.030 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.037 1.276 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.032 0.230 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.489 1.856 -6.835 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.707 3.539 -5.653 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.965 4.067 -5.159 1.00 0.00 C ATOM 1367 C VAL B 28 -3.087 3.603 -6.092 1.00 0.00 C ATOM 1368 O VAL B 28 -4.197 3.317 -5.650 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.917 5.603 -5.109 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.267 6.135 -4.621 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.802 6.068 -4.155 1.00 0.00 C ATOM 0 H VAL B 28 -0.018 4.248 -5.904 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.147 3.701 -4.149 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.709 5.988 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.237 7.224 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.053 5.817 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.474 5.744 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.777 7.157 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.996 5.684 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.159 5.692 -4.507 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.762 3.511 -7.384 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.709 3.064 -8.397 1.00 0.00 C ATOM 1383 C ALA B 29 -4.156 1.645 -8.074 1.00 0.00 C ATOM 1384 O ALA B 29 -5.343 1.314 -8.131 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.022 3.095 -9.773 1.00 0.00 C ATOM 0 H ALA B 29 -1.839 3.744 -7.751 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.579 3.720 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.724 2.762 -10.538 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.699 4.112 -9.995 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.156 2.433 -9.762 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.174 0.824 -7.725 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.399 -0.553 -7.375 1.00 0.00 C ATOM 1393 C PHE B 30 -4.036 -0.661 -5.989 1.00 0.00 C ATOM 1394 O PHE B 30 -4.957 -1.449 -5.791 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.047 -1.273 -7.456 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.550 -1.241 -8.897 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.387 -1.673 -9.944 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.267 -0.742 -9.200 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.945 -1.601 -11.262 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.165 -0.683 -10.522 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.675 -1.109 -11.553 1.00 0.00 C ATOM 0 H PHE B 30 -2.195 1.107 -7.680 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.100 -1.024 -8.064 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.324 -0.791 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.149 -2.304 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.371 -2.060 -9.724 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.382 -0.405 -8.405 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.591 -1.929 -12.063 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.151 -0.307 -10.751 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.339 -1.057 -12.578 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.590 0.170 -5.045 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.181 0.164 -3.707 1.00 0.00 C ATOM 1413 C ILE B 31 -5.653 0.529 -3.836 1.00 0.00 C ATOM 1414 O ILE B 31 -6.524 -0.088 -3.227 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.445 1.148 -2.784 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.999 0.673 -2.566 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.149 1.209 -1.425 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.165 1.820 -1.989 1.00 0.00 C ATOM 0 H ILE B 31 -2.836 0.844 -5.178 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.087 -0.826 -3.260 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.447 2.134 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.984 -0.179 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.570 0.336 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.624 1.908 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.177 1.544 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.148 0.219 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.140 1.483 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.170 2.659 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.590 2.136 -1.036 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.914 1.517 -4.678 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.284 1.942 -4.944 1.00 0.00 C ATOM 1432 C ASN B 32 -8.081 0.799 -5.588 1.00 0.00 C ATOM 1433 O ASN B 32 -9.286 0.694 -5.373 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.313 3.152 -5.893 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.123 4.460 -5.133 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.209 5.303 -5.527 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.837 4.730 -4.167 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.201 2.039 -5.188 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.732 2.220 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.528 3.048 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.263 3.175 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.551 4.070 -3.860 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.714 5.614 -3.673 1.00 0.00 H new ATOM 1444 N SER B 33 -7.400 -0.060 -6.374 1.00 0.00 N ATOM 1445 CA SER B 33 -8.061 -1.173 -7.031 1.00 0.00 C ATOM 1446 C SER B 33 -8.305 -2.285 -6.023 1.00 0.00 C ATOM 1447 O SER B 33 -9.295 -3.009 -6.113 1.00 0.00 O ATOM 1448 CB SER B 33 -7.250 -1.637 -8.236 1.00 0.00 C ATOM 1449 OG SER B 33 -7.523 -0.785 -9.341 1.00 0.00 O ATOM 0 H SER B 33 -6.399 0.007 -6.560 1.00 0.00 H new ATOM 0 HA SER B 33 -9.032 -0.857 -7.413 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.186 -1.618 -8.002 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.504 -2.667 -8.485 1.00 0.00 H new ATOM 0 HG SER B 33 -6.986 0.031 -9.265 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.425 -2.370 -5.022 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.594 -3.340 -3.945 1.00 0.00 C ATOM 1457 C LEU B 34 -8.880 -2.967 -3.229 1.00 0.00 C ATOM 1458 O LEU B 34 -9.756 -3.796 -2.981 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.385 -3.258 -3.001 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.181 -3.900 -3.693 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.863 -3.444 -3.078 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.302 -5.389 -3.541 1.00 0.00 C ATOM 0 H LEU B 34 -6.596 -1.782 -4.938 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.653 -4.364 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.169 -2.219 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.601 -3.771 -2.064 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.178 -3.601 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.034 -3.923 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.773 -2.362 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.838 -3.721 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.455 -5.874 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.310 -5.647 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.229 -5.728 -4.004 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.981 -1.670 -2.993 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.173 -1.052 -2.393 1.00 0.00 C ATOM 1476 C ARG B 35 -11.391 -1.362 -3.256 1.00 0.00 C ATOM 1477 O ARG B 35 -12.442 -1.771 -2.757 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.982 0.479 -2.364 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.951 1.025 -0.928 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.626 1.754 -0.679 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.307 1.757 0.743 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.128 2.301 1.635 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.037 3.571 1.917 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.022 1.565 2.228 1.00 0.00 N ATOM 0 H ARG B 35 -8.239 -1.004 -3.210 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.316 -1.441 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.053 0.739 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.791 0.956 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.787 1.706 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.067 0.208 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.826 1.268 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.693 2.778 -1.045 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.435 1.333 1.060 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.335 4.148 1.453 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.668 3.988 2.602 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.092 0.571 2.008 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.653 1.981 2.913 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.219 -1.151 -4.559 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.273 -1.387 -5.536 1.00 0.00 C ATOM 1500 C ASP B 36 -12.698 -2.850 -5.552 1.00 0.00 C ATOM 1501 O ASP B 36 -13.881 -3.156 -5.721 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.767 -0.987 -6.933 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.528 0.528 -7.036 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.101 1.272 -6.253 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.771 0.922 -7.908 1.00 0.00 O ATOM 0 H ASP B 36 -10.346 -0.812 -4.964 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.138 -0.785 -5.259 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.840 -1.518 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.494 -1.293 -7.685 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.724 -3.750 -5.398 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.008 -5.185 -5.426 1.00 0.00 C ATOM 1512 C ASP B 37 -11.007 -5.972 -4.582 1.00 0.00 C ATOM 1513 O ASP B 37 -9.881 -6.237 -5.017 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.986 -5.715 -6.876 1.00 0.00 C ATOM 1515 CG ASP B 37 -12.118 -4.579 -7.895 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -11.100 -3.994 -8.235 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.229 -4.316 -8.322 1.00 0.00 O ATOM 0 H ASP B 37 -10.742 -3.513 -5.254 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.003 -5.326 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.056 -6.256 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.800 -6.426 -7.016 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.406 -6.374 -3.397 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.541 -7.178 -2.498 1.00 0.00 C ATOM 1524 C PRO B 38 -10.361 -8.601 -3.023 1.00 0.00 C ATOM 1525 O PRO B 38 -9.318 -9.225 -2.820 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.264 -7.189 -1.156 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.515 -6.381 -1.306 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.720 -6.108 -2.791 1.00 0.00 C ATOM 0 HA PRO B 38 -9.539 -6.754 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.502 -8.210 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.629 -6.769 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.369 -6.920 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.433 -5.445 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.490 -6.755 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.037 -5.080 -2.966 1.00 0.00 H new ATOM 1536 N SER B 39 -11.386 -9.098 -3.716 1.00 0.00 N ATOM 1537 CA SER B 39 -11.337 -10.433 -4.294 1.00 0.00 C ATOM 1538 C SER B 39 -10.266 -10.458 -5.369 1.00 0.00 C ATOM 1539 O SER B 39 -9.550 -11.447 -5.531 1.00 0.00 O ATOM 1540 CB SER B 39 -12.696 -10.799 -4.898 1.00 0.00 C ATOM 1541 OG SER B 39 -12.676 -12.158 -5.317 1.00 0.00 O ATOM 0 H SER B 39 -12.256 -8.595 -3.888 1.00 0.00 H new ATOM 0 HA SER B 39 -11.100 -11.161 -3.518 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.486 -10.645 -4.163 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.917 -10.149 -5.745 1.00 0.00 H new ATOM 0 HG SER B 39 -13.545 -12.394 -5.702 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.165 -9.338 -6.089 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.184 -9.194 -7.145 1.00 0.00 C ATOM 1549 C GLN B 40 -7.951 -8.475 -6.634 1.00 0.00 C ATOM 1550 O GLN B 40 -7.209 -7.891 -7.421 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.768 -8.458 -8.362 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.302 -8.573 -8.393 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.862 -7.805 -9.588 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.369 -6.637 -9.890 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.774 -8.283 -10.262 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.758 -8.519 -5.952 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.898 -10.195 -7.467 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.479 -7.407 -8.329 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.350 -8.875 -9.278 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.595 -9.621 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.723 -8.179 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.159 -9.197 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.145 -7.765 -11.058 1.00 0.00 H new ATOM 1564 N SER B 41 -7.705 -8.531 -5.318 1.00 0.00 N ATOM 1565 CA SER B 41 -6.520 -7.891 -4.778 1.00 0.00 C ATOM 1566 C SER B 41 -5.294 -8.428 -5.501 1.00 0.00 C ATOM 1567 O SER B 41 -4.328 -7.711 -5.736 1.00 0.00 O ATOM 1568 CB SER B 41 -6.388 -8.178 -3.279 1.00 0.00 C ATOM 1569 OG SER B 41 -7.402 -7.488 -2.566 1.00 0.00 O ATOM 0 H SER B 41 -8.297 -9.001 -4.633 1.00 0.00 H new ATOM 0 HA SER B 41 -6.603 -6.814 -4.922 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.467 -9.250 -3.096 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.405 -7.866 -2.925 1.00 0.00 H new ATOM 0 HG SER B 41 -8.072 -8.129 -2.248 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.380 -9.698 -5.863 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.323 -10.378 -6.588 1.00 0.00 C ATOM 1577 C ALA B 42 -4.277 -9.908 -8.042 1.00 0.00 C ATOM 1578 O ALA B 42 -3.241 -9.998 -8.694 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.607 -11.878 -6.563 1.00 0.00 C ATOM 0 H ALA B 42 -6.188 -10.287 -5.661 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.366 -10.155 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.822 -12.406 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.633 -12.226 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.569 -12.074 -7.037 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.431 -9.448 -8.538 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.586 -8.999 -9.918 1.00 0.00 C ATOM 1587 C ASN B 43 -4.883 -7.696 -10.206 1.00 0.00 C ATOM 1588 O ASN B 43 -4.085 -7.608 -11.132 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.048 -8.782 -10.175 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.339 -8.780 -11.674 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.952 -7.770 -12.401 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.925 -9.729 -12.195 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.286 -9.378 -7.987 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.146 -9.766 -10.556 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.628 -9.566 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.362 -7.835 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.227 -10.518 -11.623 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.109 -9.726 -13.198 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.190 -6.679 -9.412 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.575 -5.400 -9.609 1.00 0.00 C ATOM 1601 C LEU B 44 -3.137 -5.506 -9.122 1.00 0.00 C ATOM 1602 O LEU B 44 -2.237 -4.847 -9.630 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.437 -4.241 -9.027 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.404 -4.105 -7.505 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.163 -5.237 -6.862 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -3.986 -4.032 -6.998 1.00 0.00 C ATOM 0 H LEU B 44 -5.854 -6.726 -8.639 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.527 -5.124 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.099 -3.303 -9.467 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.471 -4.386 -9.340 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.894 -3.171 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.131 -5.127 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.200 -5.217 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.708 -6.187 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.992 -3.936 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.452 -4.940 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.487 -3.168 -7.436 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.924 -6.429 -8.179 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.590 -6.726 -7.702 1.00 0.00 C ATOM 1620 C LEU B 45 -0.859 -7.325 -8.886 1.00 0.00 C ATOM 1621 O LEU B 45 0.312 -7.063 -9.135 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.655 -7.747 -6.556 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.326 -8.508 -6.427 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.812 -7.518 -6.189 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.408 -9.508 -5.265 1.00 0.00 C ATOM 0 H LEU B 45 -3.663 -6.977 -7.738 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.089 -5.836 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.879 -7.236 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.467 -8.452 -6.736 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.134 -9.056 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.753 -8.060 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.873 -6.825 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.624 -6.961 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.537 -10.044 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.607 -8.972 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.213 -10.219 -5.453 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.617 -8.110 -9.637 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.108 -8.735 -10.835 1.00 0.00 C ATOM 1639 C ALA B 46 -0.759 -7.627 -11.814 1.00 0.00 C ATOM 1640 O ALA B 46 0.300 -7.636 -12.434 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.174 -9.662 -11.439 1.00 0.00 C ATOM 0 H ALA B 46 -2.592 -8.326 -9.431 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.228 -9.337 -10.611 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.781 -10.129 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.436 -10.434 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.062 -9.081 -11.688 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.665 -6.647 -11.890 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.485 -5.481 -12.736 1.00 0.00 C ATOM 1649 C GLU B 47 -0.259 -4.703 -12.283 1.00 0.00 C ATOM 1650 O GLU B 47 0.421 -4.073 -13.086 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.699 -4.541 -12.634 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.951 -5.163 -13.245 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.724 -5.516 -14.717 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.425 -4.615 -15.486 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.854 -6.682 -15.054 1.00 0.00 O ATOM 0 H GLU B 47 -2.539 -6.647 -11.365 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.369 -5.827 -13.763 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.886 -4.301 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.475 -3.602 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.224 -6.060 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.786 -4.468 -13.158 1.00 0.00 H new ATOM 1662 N ALA B 48 -0.016 -4.729 -10.974 1.00 0.00 N ATOM 1663 CA ALA B 48 1.093 -4.005 -10.390 1.00 0.00 C ATOM 1664 C ALA B 48 2.399 -4.689 -10.672 1.00 0.00 C ATOM 1665 O ALA B 48 3.340 -4.077 -11.145 1.00 0.00 O ATOM 1666 CB ALA B 48 0.887 -4.003 -8.899 1.00 0.00 C ATOM 0 H ALA B 48 -0.580 -5.249 -10.301 1.00 0.00 H new ATOM 0 HA ALA B 48 1.128 -3.000 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.705 -3.465 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.058 -3.513 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.864 -5.030 -8.533 1.00 0.00 H new ATOM 1672 N LYS B 49 2.423 -5.973 -10.405 1.00 0.00 N ATOM 1673 CA LYS B 49 3.602 -6.776 -10.665 1.00 0.00 C ATOM 1674 C LYS B 49 3.876 -6.725 -12.166 1.00 0.00 C ATOM 1675 O LYS B 49 5.024 -6.730 -12.608 1.00 0.00 O ATOM 1676 CB LYS B 49 3.348 -8.196 -10.167 1.00 0.00 C ATOM 1677 CG LYS B 49 3.459 -8.256 -8.643 1.00 0.00 C ATOM 1678 CD LYS B 49 3.437 -9.724 -8.195 1.00 0.00 C ATOM 1679 CE LYS B 49 2.067 -10.353 -8.494 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.619 -11.153 -7.320 1.00 0.00 N ATOM 0 H LYS B 49 1.639 -6.489 -10.006 1.00 0.00 H new ATOM 0 HA LYS B 49 4.480 -6.399 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.357 -8.525 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.067 -8.880 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.381 -7.776 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.634 -7.710 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.220 -10.280 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.649 -9.789 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.338 -9.574 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.132 -10.989 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.590 -11.054 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.855 -12.154 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.098 -10.810 -6.463 1.00 0.00 H new ATOM 1694 N LYS B 50 2.787 -6.608 -12.927 1.00 0.00 N ATOM 1695 CA LYS B 50 2.847 -6.473 -14.374 1.00 0.00 C ATOM 1696 C LYS B 50 3.391 -5.101 -14.737 1.00 0.00 C ATOM 1697 O LYS B 50 4.196 -4.971 -15.647 1.00 0.00 O ATOM 1698 CB LYS B 50 1.453 -6.637 -14.955 1.00 0.00 C ATOM 1699 CG LYS B 50 1.501 -6.633 -16.487 1.00 0.00 C ATOM 1700 CD LYS B 50 0.095 -6.910 -17.036 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.806 -5.678 -16.859 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.194 -4.499 -17.539 1.00 0.00 N ATOM 0 H LYS B 50 1.839 -6.605 -12.552 1.00 0.00 H new ATOM 0 HA LYS B 50 3.504 -7.241 -14.783 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.014 -7.570 -14.602 1.00 0.00 H new ATOM 0 HB3 LYS B 50 0.810 -5.830 -14.604 1.00 0.00 H new ATOM 0 HG2 LYS B 50 1.863 -5.671 -16.849 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.199 -7.390 -16.843 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.156 -7.174 -18.092 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.342 -7.764 -16.519 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.794 -5.876 -17.275 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.943 -5.466 -15.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -0.941 -3.826 -17.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 0.476 -4.035 -16.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 0.310 -4.814 -18.393 1.00 0.00 H new ATOM 1716 N LEU B 51 2.941 -4.077 -14.008 1.00 0.00 N ATOM 1717 CA LEU B 51 3.409 -2.717 -14.255 1.00 0.00 C ATOM 1718 C LEU B 51 4.861 -2.632 -13.884 1.00 0.00 C ATOM 1719 O LEU B 51 5.673 -2.036 -14.589 1.00 0.00 O ATOM 1720 CB LEU B 51 2.598 -1.706 -13.439 1.00 0.00 C ATOM 1721 CG LEU B 51 1.713 -0.898 -14.379 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.594 0.086 -15.163 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.973 -1.852 -15.338 1.00 0.00 C ATOM 0 H LEU B 51 2.262 -4.164 -13.252 1.00 0.00 H new ATOM 0 HA LEU B 51 3.279 -2.478 -15.310 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.987 -2.224 -12.700 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.267 -1.043 -12.891 1.00 0.00 H new ATOM 0 HG LEU B 51 0.970 -0.338 -13.812 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.972 0.671 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.101 0.754 -14.467 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.335 -0.468 -15.739 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.340 -1.273 -16.010 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.700 -2.418 -15.921 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.356 -2.541 -14.761 1.00 0.00 H new ATOM 1735 N ASN B 52 5.173 -3.299 -12.794 1.00 0.00 N ATOM 1736 CA ASN B 52 6.525 -3.391 -12.325 1.00 0.00 C ATOM 1737 C ASN B 52 7.320 -4.043 -13.427 1.00 0.00 C ATOM 1738 O ASN B 52 8.414 -3.608 -13.786 1.00 0.00 O ATOM 1739 CB ASN B 52 6.538 -4.261 -11.075 1.00 0.00 C ATOM 1740 CG ASN B 52 7.890 -4.920 -10.882 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.743 -4.347 -10.116 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.163 -5.982 -11.441 1.00 0.00 N flip ATOM 0 H ASN B 52 4.493 -3.790 -12.214 1.00 0.00 H new ATOM 0 HA ASN B 52 6.947 -2.417 -12.079 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.299 -3.653 -10.203 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.765 -5.026 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.477 -6.430 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.075 -6.414 -11.297 1.00 0.00 H new ATOM 1749 N ASP B 53 6.704 -5.080 -13.976 1.00 0.00 N ATOM 1750 CA ASP B 53 7.300 -5.811 -15.085 1.00 0.00 C ATOM 1751 C ASP B 53 7.387 -4.902 -16.306 1.00 0.00 C ATOM 1752 O ASP B 53 8.331 -4.979 -17.086 1.00 0.00 O ATOM 1753 CB ASP B 53 6.471 -7.051 -15.435 1.00 0.00 C ATOM 1754 CG ASP B 53 7.234 -7.914 -16.441 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.027 -8.733 -16.009 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.022 -7.734 -17.631 1.00 0.00 O ATOM 0 H ASP B 53 5.796 -5.433 -13.674 1.00 0.00 H new ATOM 0 HA ASP B 53 8.297 -6.134 -14.786 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.261 -7.626 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.510 -6.752 -15.853 1.00 0.00 H new ATOM 1761 N ALA B 54 6.377 -4.047 -16.457 1.00 0.00 N ATOM 1762 CA ALA B 54 6.309 -3.118 -17.574 1.00 0.00 C ATOM 1763 C ALA B 54 7.448 -2.107 -17.494 1.00 0.00 C ATOM 1764 O ALA B 54 8.040 -1.744 -18.513 1.00 0.00 O ATOM 1765 CB ALA B 54 4.960 -2.398 -17.548 1.00 0.00 C ATOM 0 H ALA B 54 5.590 -3.982 -15.811 1.00 0.00 H new ATOM 0 HA ALA B 54 6.408 -3.670 -18.508 1.00 0.00 H new ATOM 0 HB1 ALA B 54 4.904 -1.700 -18.383 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.156 -3.129 -17.631 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.858 -1.851 -16.611 1.00 0.00 H new ATOM 1771 N GLN B 55 7.753 -1.668 -16.272 1.00 0.00 N ATOM 1772 CA GLN B 55 8.827 -0.708 -16.049 1.00 0.00 C ATOM 1773 C GLN B 55 10.156 -1.417 -15.778 1.00 0.00 C ATOM 1774 O GLN B 55 11.192 -0.766 -15.621 1.00 0.00 O ATOM 1775 CB GLN B 55 8.463 0.166 -14.865 1.00 0.00 C ATOM 1776 CG GLN B 55 7.222 0.997 -15.192 1.00 0.00 C ATOM 1777 CD GLN B 55 6.451 1.275 -13.914 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.272 2.430 -13.529 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.993 0.271 -13.223 1.00 0.00 N ATOM 0 H GLN B 55 7.270 -1.964 -15.424 1.00 0.00 H new ATOM 0 HA GLN B 55 8.948 -0.101 -16.946 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.275 -0.454 -13.989 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.296 0.823 -14.618 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.513 1.935 -15.666 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.590 0.464 -15.902 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.145 -0.684 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.482 0.439 -12.356 1.00 0.00 H new ATOM 1788 N ALA B 56 10.115 -2.750 -15.715 1.00 0.00 N ATOM 1789 CA ALA B 56 11.322 -3.540 -15.448 1.00 0.00 C ATOM 1790 C ALA B 56 12.334 -3.424 -16.582 1.00 0.00 C ATOM 1791 O ALA B 56 12.003 -2.978 -17.682 1.00 0.00 O ATOM 1792 CB ALA B 56 10.973 -5.011 -15.238 1.00 0.00 C ATOM 0 H ALA B 56 9.267 -3.302 -15.844 1.00 0.00 H new ATOM 0 HA ALA B 56 11.769 -3.137 -14.539 1.00 0.00 H new ATOM 0 HB1 ALA B 56 11.884 -5.577 -15.042 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.296 -5.107 -14.389 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.489 -5.402 -16.133 1.00 0.00 H new ATOM 1798 N PRO B 57 13.566 -3.800 -16.319 1.00 0.00 N ATOM 1799 CA PRO B 57 14.672 -3.731 -17.308 1.00 0.00 C ATOM 1800 C PRO B 57 14.722 -4.961 -18.218 1.00 0.00 C ATOM 1801 O PRO B 57 15.797 -5.457 -18.566 1.00 0.00 O ATOM 1802 CB PRO B 57 15.930 -3.638 -16.421 1.00 0.00 C ATOM 1803 CG PRO B 57 15.452 -3.702 -15.002 1.00 0.00 C ATOM 1804 CD PRO B 57 14.073 -4.324 -15.049 1.00 0.00 C ATOM 0 HA PRO B 57 14.562 -2.892 -17.995 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.618 -4.455 -16.636 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.469 -2.709 -16.608 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.128 -4.299 -14.390 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.415 -2.707 -14.558 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.113 -5.413 -15.040 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.456 -4.021 -14.203 1.00 0.00 H new ATOM 1812 N LYS B 58 13.546 -5.438 -18.597 1.00 0.00 N ATOM 1813 CA LYS B 58 13.440 -6.615 -19.471 1.00 0.00 C ATOM 1814 C LYS B 58 14.099 -6.336 -20.826 1.00 0.00 C ATOM 1815 O LYS B 58 13.846 -5.277 -21.381 1.00 0.00 O ATOM 1816 CB LYS B 58 11.978 -7.041 -19.699 1.00 0.00 C ATOM 1817 CG LYS B 58 11.036 -6.449 -18.636 1.00 0.00 C ATOM 1818 CD LYS B 58 10.466 -5.112 -19.136 1.00 0.00 C ATOM 1819 CE LYS B 58 9.184 -5.357 -19.941 1.00 0.00 C ATOM 1820 NZ LYS B 58 8.447 -4.073 -20.096 1.00 0.00 N ATOM 1821 OXT LYS B 58 14.844 -7.184 -21.288 1.00 0.00 O ATOM 0 H LYS B 58 12.651 -5.036 -18.319 1.00 0.00 H new ATOM 0 HA LYS B 58 13.957 -7.431 -18.965 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.656 -6.719 -20.689 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.909 -8.129 -19.680 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.224 -7.146 -18.427 1.00 0.00 H new ATOM 0 HG3 LYS B 58 11.576 -6.298 -17.701 1.00 0.00 H new ATOM 0 HD2 LYS B 58 10.255 -4.458 -18.290 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.203 -4.602 -19.756 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.429 -5.769 -20.920 1.00 0.00 H new ATOM 0 HE3 LYS B 58 8.557 -6.090 -19.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 7.430 -4.266 -20.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 8.609 -3.477 -19.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 8.787 -3.578 -20.945 1.00 0.00 H new TER 1835 LYS B 58