USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 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 26 GLN :FLIP amide:sc= -1.3! C(o=-18!,f=-2.6!) USER MOD Set 1.2: B 55 GLN :FLIP amide:sc= -1.33 F(o=-5.3!,f=-2.6) USER MOD Set 2.1: B 21 ASN :FLIP amide:sc= -3.29! C(o=-8.1!,f=-5.5!) USER MOD Set 2.2: B 52 ASN :FLIP amide:sc= -2.18 F(o=-12!,f=-5.5) USER MOD Set 3.1: B 39 SER OG : rot -78:sc= 0.956 USER MOD Set 3.2: B 40 GLN : amide:sc= 1.07 X(o=2,f=2) USER MOD Set 4.1: B 23 ASN : amide:sc= -7.14! C(o=-8.1!,f=-17!) USER MOD Set 4.2: B 24 SER OG : rot -160:sc= -0.963 USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -1.06 F(o=-11!,f=-3.3) USER MOD Set 5.2: A 55 GLN :FLIP amide:sc= -2.24! C(o=-7.4!,f=-3.3!) USER MOD Set 6.1: A 21 ASN : amide:sc= -3.6! C(o=-11!,f=-24!) USER MOD Set 6.2: A 52 ASN : amide:sc= -7! C(o=-11!,f=-18!) USER MOD Set 7.1: A 13 THR OG1 : rot -137:sc= -1.28 USER MOD Set 7.2: B 17 MET CE :methyl -135:sc= -13! (180deg=-13.4!) USER MOD Single : A 1 VAL N :NH3+ -176:sc= -0.956 (180deg=-0.989) USER MOD Single : A 3 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.34) USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= -0.432 (180deg=-2.23!) USER MOD Single : A 6 ASN : amide:sc= -4.7! C(o=-4.7!,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.11 K(o=-2.1,f=-8!) USER MOD Single : A 23 ASN : amide:sc= -0.828 K(o=-0.83,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= -0.856 (180deg=-2.92!) USER MOD Single : A 33 SER OG : rot 76:sc= 0.771 USER MOD Single : A 39 SER OG : rot -39:sc= 0.688 USER MOD Single : A 40 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 41 SER OG : rot -92:sc= 0.779 USER MOD Single : A 43 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.021) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -1.58 (180deg=-3.11!) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.03) USER MOD Single : A 58 LYS NZ :NH3+ 132:sc= -2.37! (180deg=-8.73!) USER MOD Single : B 1 VAL N :NH3+ 131:sc= 0.074 (180deg=-0.179) USER MOD Single : B 3 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD Single : B 4 LYS NZ :NH3+ 142:sc= 1.28 (180deg=0.547) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.609 F(o=-2.2!,f=-0.61) USER MOD Single : B 7 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0.934) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.39! C(o=-4.3!,f=-3.4!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 145:sc= -1.95! USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0723 F(o=-0.89,f=-0.072) USER MOD Single : B 49 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0.926) USER MOD Single : B 50 LYS NZ :NH3+ 150:sc= -1.73 (180deg=-3.23!) USER MOD Single : B 58 LYS NZ :NH3+ -130:sc= 1.92 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.848 -8.200 3.949 1.00 0.00 N ATOM 2 CA VAL A 1 12.030 -9.255 2.909 1.00 0.00 C ATOM 3 C VAL A 1 11.023 -10.385 3.142 1.00 0.00 C ATOM 4 O VAL A 1 10.513 -10.975 2.188 1.00 0.00 O ATOM 5 CB VAL A 1 13.474 -9.800 2.959 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.458 -8.726 2.473 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.842 -10.212 4.392 1.00 0.00 C ATOM 0 H1 VAL A 1 12.486 -7.403 3.750 1.00 0.00 H new ATOM 0 H2 VAL A 1 10.863 -7.867 3.937 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.069 -8.594 4.886 1.00 0.00 H new ATOM 0 HA VAL A 1 11.856 -8.825 1.923 1.00 0.00 H new ATOM 0 HB VAL A 1 13.535 -10.673 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.474 -9.119 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.215 -8.448 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.384 -7.848 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.863 -10.594 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.767 -9.346 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.158 -10.989 4.734 1.00 0.00 H new ATOM 19 N ASP A 2 10.745 -10.675 4.414 1.00 0.00 N ATOM 20 CA ASP A 2 9.799 -11.735 4.780 1.00 0.00 C ATOM 21 C ASP A 2 8.368 -11.356 4.387 1.00 0.00 C ATOM 22 O ASP A 2 8.057 -10.176 4.201 1.00 0.00 O ATOM 23 CB ASP A 2 9.873 -11.998 6.290 1.00 0.00 C ATOM 24 CG ASP A 2 9.817 -10.681 7.065 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.838 -10.017 7.147 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.754 -10.355 7.560 1.00 0.00 O ATOM 0 H ASP A 2 11.161 -10.191 5.210 1.00 0.00 H new ATOM 0 HA ASP A 2 10.073 -12.640 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.047 -12.641 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.795 -12.528 6.528 1.00 0.00 H new ATOM 31 N ASN A 3 7.504 -12.371 4.254 1.00 0.00 N ATOM 32 CA ASN A 3 6.106 -12.143 3.872 1.00 0.00 C ATOM 33 C ASN A 3 5.404 -11.231 4.875 1.00 0.00 C ATOM 34 O ASN A 3 4.576 -10.407 4.489 1.00 0.00 O ATOM 35 CB ASN A 3 5.347 -13.473 3.774 1.00 0.00 C ATOM 36 CG ASN A 3 5.999 -14.386 2.736 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.353 -13.939 1.645 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.179 -15.647 3.014 1.00 0.00 N ATOM 0 H ASN A 3 7.747 -13.350 4.404 1.00 0.00 H new ATOM 0 HA ASN A 3 6.108 -11.657 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.338 -13.966 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.308 -13.287 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.613 -16.264 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.886 -16.017 3.918 1.00 0.00 H new ATOM 45 N LYS A 4 5.743 -11.376 6.163 1.00 0.00 N ATOM 46 CA LYS A 4 5.133 -10.539 7.196 1.00 0.00 C ATOM 47 C LYS A 4 5.459 -9.073 6.918 1.00 0.00 C ATOM 48 O LYS A 4 4.597 -8.209 7.035 1.00 0.00 O ATOM 49 CB LYS A 4 5.638 -10.935 8.587 1.00 0.00 C ATOM 50 CG LYS A 4 4.759 -10.266 9.648 1.00 0.00 C ATOM 51 CD LYS A 4 5.320 -10.541 11.043 1.00 0.00 C ATOM 52 CE LYS A 4 4.389 -9.923 12.088 1.00 0.00 C ATOM 53 NZ LYS A 4 4.656 -8.460 12.190 1.00 0.00 N ATOM 0 H LYS A 4 6.424 -12.053 6.507 1.00 0.00 H new ATOM 0 HA LYS A 4 4.053 -10.684 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.609 -12.018 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.677 -10.629 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.715 -9.191 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.739 -10.643 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.409 -11.615 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.321 -10.120 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.349 -10.095 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.544 -10.400 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.565 -8.159 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.619 -8.259 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.970 -7.940 11.606 1.00 0.00 H new ATOM 67 N PHE A 5 6.708 -8.817 6.521 1.00 0.00 N ATOM 68 CA PHE A 5 7.156 -7.466 6.190 1.00 0.00 C ATOM 69 C PHE A 5 6.273 -6.895 5.101 1.00 0.00 C ATOM 70 O PHE A 5 5.806 -5.769 5.193 1.00 0.00 O ATOM 71 CB PHE A 5 8.588 -7.511 5.660 1.00 0.00 C ATOM 72 CG PHE A 5 9.455 -6.485 6.344 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.949 -6.746 7.627 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.787 -5.286 5.690 1.00 0.00 C ATOM 75 CE1 PHE A 5 10.775 -5.816 8.262 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.613 -4.356 6.333 1.00 0.00 C ATOM 77 CZ PHE A 5 11.108 -4.623 7.615 1.00 0.00 C ATOM 0 H PHE A 5 7.428 -9.532 6.421 1.00 0.00 H new ATOM 0 HA PHE A 5 7.105 -6.850 7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.005 -8.506 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.586 -7.331 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.691 -7.668 8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.408 -5.084 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.156 -6.019 9.252 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.869 -3.430 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.749 -3.905 8.105 1.00 0.00 H new ATOM 87 N ASN A 6 6.056 -7.703 4.066 1.00 0.00 N ATOM 88 CA ASN A 6 5.219 -7.302 2.949 1.00 0.00 C ATOM 89 C ASN A 6 3.794 -7.086 3.432 1.00 0.00 C ATOM 90 O ASN A 6 3.165 -6.085 3.106 1.00 0.00 O ATOM 91 CB ASN A 6 5.249 -8.394 1.881 1.00 0.00 C ATOM 92 CG ASN A 6 4.197 -8.144 0.811 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.473 -7.503 -0.192 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.000 -8.622 0.969 1.00 0.00 N ATOM 0 H ASN A 6 6.451 -8.640 3.982 1.00 0.00 H new ATOM 0 HA ASN A 6 5.594 -6.371 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.237 -8.431 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.077 -9.365 2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.289 -8.463 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.771 -9.157 1.807 1.00 0.00 H new ATOM 101 N LYS A 7 3.309 -8.019 4.248 1.00 0.00 N ATOM 102 CA LYS A 7 1.974 -7.913 4.800 1.00 0.00 C ATOM 103 C LYS A 7 1.893 -6.607 5.582 1.00 0.00 C ATOM 104 O LYS A 7 0.891 -5.904 5.547 1.00 0.00 O ATOM 105 CB LYS A 7 1.692 -9.114 5.720 1.00 0.00 C ATOM 106 CG LYS A 7 0.194 -9.174 6.053 1.00 0.00 C ATOM 107 CD LYS A 7 -0.138 -10.477 6.800 1.00 0.00 C ATOM 108 CE LYS A 7 -0.875 -11.451 5.867 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.534 -12.512 6.679 1.00 0.00 N ATOM 0 H LYS A 7 3.823 -8.851 4.537 1.00 0.00 H new ATOM 0 HA LYS A 7 1.228 -7.916 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.003 -10.038 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.274 -9.026 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.084 -8.316 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.392 -9.114 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.779 -10.938 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.756 -10.258 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.618 -10.915 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.173 -11.899 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.033 -13.172 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.815 -13.030 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.215 -12.076 7.333 1.00 0.00 H new ATOM 123 N GLU A 8 2.995 -6.297 6.268 1.00 0.00 N ATOM 124 CA GLU A 8 3.109 -5.081 7.068 1.00 0.00 C ATOM 125 C GLU A 8 3.242 -3.825 6.199 1.00 0.00 C ATOM 126 O GLU A 8 2.586 -2.811 6.436 1.00 0.00 O ATOM 127 CB GLU A 8 4.332 -5.205 7.989 1.00 0.00 C ATOM 128 CG GLU A 8 4.013 -6.141 9.164 1.00 0.00 C ATOM 129 CD GLU A 8 5.279 -6.410 9.979 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.117 -7.164 9.507 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.394 -5.860 11.062 1.00 0.00 O ATOM 0 H GLU A 8 3.830 -6.882 6.283 1.00 0.00 H new ATOM 0 HA GLU A 8 2.195 -4.974 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.183 -5.590 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.616 -4.222 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.250 -5.692 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.605 -7.080 8.791 1.00 0.00 H new ATOM 138 N LEU A 9 4.090 -3.935 5.194 1.00 0.00 N ATOM 139 CA LEU A 9 4.360 -2.861 4.229 1.00 0.00 C ATOM 140 C LEU A 9 3.073 -2.481 3.514 1.00 0.00 C ATOM 141 O LEU A 9 2.816 -1.301 3.277 1.00 0.00 O ATOM 142 CB LEU A 9 5.427 -3.392 3.268 1.00 0.00 C ATOM 143 CG LEU A 9 5.678 -2.439 2.098 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.449 -1.186 2.515 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.502 -3.176 1.066 1.00 0.00 C ATOM 0 H LEU A 9 4.625 -4.784 5.013 1.00 0.00 H new ATOM 0 HA LEU A 9 4.725 -1.954 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.358 -3.549 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.116 -4.363 2.883 1.00 0.00 H new ATOM 0 HG LEU A 9 4.710 -2.121 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.599 -0.545 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.881 -0.644 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.417 -1.474 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.696 -2.519 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.448 -3.486 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.956 -4.056 0.725 1.00 0.00 H new ATOM 157 N GLY A 10 2.241 -3.472 3.226 1.00 0.00 N ATOM 158 CA GLY A 10 0.972 -3.207 2.605 1.00 0.00 C ATOM 159 C GLY A 10 0.035 -2.614 3.625 1.00 0.00 C ATOM 160 O GLY A 10 -0.809 -1.781 3.320 1.00 0.00 O ATOM 0 H GLY A 10 2.429 -4.457 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.100 -2.520 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.552 -4.128 2.200 1.00 0.00 H new ATOM 164 N TRP A 11 0.179 -3.075 4.850 1.00 0.00 N ATOM 165 CA TRP A 11 -0.678 -2.605 5.903 1.00 0.00 C ATOM 166 C TRP A 11 -0.448 -1.188 6.257 1.00 0.00 C ATOM 167 O TRP A 11 -1.402 -0.409 6.295 1.00 0.00 O ATOM 168 CB TRP A 11 -0.565 -3.477 7.123 1.00 0.00 C ATOM 169 CG TRP A 11 -1.935 -3.766 7.615 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.232 -3.924 8.902 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.204 -3.897 6.868 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.572 -4.218 9.013 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.210 -4.193 7.793 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.578 -3.812 5.495 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.521 -4.394 7.398 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.901 -4.004 5.100 1.00 0.00 C ATOM 177 CH2 TRP A 11 -5.876 -4.296 6.050 1.00 0.00 C ATOM 0 H TRP A 11 0.874 -3.766 5.133 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.694 -2.668 5.513 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.045 -4.404 6.881 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.019 -2.976 7.895 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.537 -3.836 9.724 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.038 -4.430 9.895 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.826 -3.596 4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.274 -4.628 8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.170 -3.926 4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.902 -4.446 5.747 1.00 0.00 H new ATOM 188 N ALA A 12 0.782 -0.830 6.508 1.00 0.00 N ATOM 189 CA ALA A 12 1.036 0.529 6.839 1.00 0.00 C ATOM 190 C ALA A 12 0.532 1.378 5.668 1.00 0.00 C ATOM 191 O ALA A 12 -0.096 2.405 5.862 1.00 0.00 O ATOM 192 CB ALA A 12 2.521 0.745 7.104 1.00 0.00 C ATOM 0 H ALA A 12 1.596 -1.445 6.489 1.00 0.00 H new ATOM 0 HA ALA A 12 0.518 0.818 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.697 1.791 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.838 0.113 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.091 0.486 6.212 1.00 0.00 H new ATOM 198 N THR A 13 0.748 0.869 4.445 1.00 0.00 N ATOM 199 CA THR A 13 0.260 1.531 3.237 1.00 0.00 C ATOM 200 C THR A 13 -1.249 1.727 3.308 1.00 0.00 C ATOM 201 O THR A 13 -1.742 2.815 3.033 1.00 0.00 O ATOM 202 CB THR A 13 0.613 0.653 2.024 1.00 0.00 C ATOM 203 OG1 THR A 13 1.858 1.071 1.508 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.455 0.757 0.927 1.00 0.00 C ATOM 0 H THR A 13 1.257 0.002 4.272 1.00 0.00 H new ATOM 0 HA THR A 13 0.728 2.511 3.144 1.00 0.00 H new ATOM 0 HB THR A 13 0.661 -0.386 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.813 1.100 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.174 0.124 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.416 0.429 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.534 1.792 0.593 1.00 0.00 H new ATOM 212 N TRP A 14 -1.955 0.656 3.665 1.00 0.00 N ATOM 213 CA TRP A 14 -3.414 0.669 3.750 1.00 0.00 C ATOM 214 C TRP A 14 -3.922 1.538 4.888 1.00 0.00 C ATOM 215 O TRP A 14 -4.852 2.315 4.711 1.00 0.00 O ATOM 216 CB TRP A 14 -3.896 -0.755 3.973 1.00 0.00 C ATOM 217 CG TRP A 14 -5.350 -0.876 3.646 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.341 -0.989 4.557 1.00 0.00 C ATOM 219 CD2 TRP A 14 -5.991 -0.910 2.341 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.542 -1.122 3.897 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.380 -1.078 2.534 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.514 -0.825 1.015 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.251 -1.162 1.463 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.392 -0.911 -0.052 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.748 -1.080 0.169 1.00 0.00 C ATOM 0 H TRP A 14 -1.534 -0.242 3.903 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.799 1.085 2.819 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.320 -1.441 3.352 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.726 -1.044 5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.212 -0.977 5.629 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.442 -1.239 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.458 -0.692 0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.310 -1.290 1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.017 -0.846 -1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.422 -1.149 -0.672 1.00 0.00 H new ATOM 236 N GLU A 15 -3.315 1.388 6.055 1.00 0.00 N ATOM 237 CA GLU A 15 -3.725 2.155 7.221 1.00 0.00 C ATOM 238 C GLU A 15 -3.548 3.650 6.935 1.00 0.00 C ATOM 239 O GLU A 15 -4.396 4.466 7.306 1.00 0.00 O ATOM 240 CB GLU A 15 -2.907 1.696 8.432 1.00 0.00 C ATOM 241 CG GLU A 15 -3.263 0.228 8.767 1.00 0.00 C ATOM 242 CD GLU A 15 -2.236 -0.347 9.740 1.00 0.00 C ATOM 243 OE1 GLU A 15 -1.240 -0.879 9.274 1.00 0.00 O ATOM 244 OE2 GLU A 15 -2.456 -0.243 10.936 1.00 0.00 O ATOM 0 H GLU A 15 -2.540 0.745 6.220 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.778 1.987 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.842 1.784 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.115 2.337 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.260 0.177 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.285 -0.367 7.854 1.00 0.00 H new ATOM 251 N ILE A 16 -2.476 3.985 6.206 1.00 0.00 N ATOM 252 CA ILE A 16 -2.224 5.369 5.788 1.00 0.00 C ATOM 253 C ILE A 16 -3.262 5.743 4.716 1.00 0.00 C ATOM 254 O ILE A 16 -3.773 6.863 4.677 1.00 0.00 O ATOM 255 CB ILE A 16 -0.797 5.485 5.190 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.269 5.180 6.257 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.553 6.897 4.650 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.644 4.978 5.593 1.00 0.00 C ATOM 0 H ILE A 16 -1.771 3.318 5.894 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.303 6.040 6.644 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.722 4.760 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.320 5.999 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.009 4.285 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.453 6.959 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.282 7.119 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.656 7.619 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.390 4.763 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.591 4.144 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.926 5.884 5.057 1.00 0.00 H new ATOM 270 N PHE A 17 -3.560 4.758 3.862 1.00 0.00 N ATOM 271 CA PHE A 17 -4.534 4.894 2.770 1.00 0.00 C ATOM 272 C PHE A 17 -5.932 5.161 3.333 1.00 0.00 C ATOM 273 O PHE A 17 -6.722 5.906 2.751 1.00 0.00 O ATOM 274 CB PHE A 17 -4.568 3.565 1.995 1.00 0.00 C ATOM 275 CG PHE A 17 -4.755 3.757 0.507 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.653 4.043 -0.319 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.020 3.574 -0.056 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.825 4.145 -1.701 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.196 3.687 -1.436 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.097 3.968 -2.257 1.00 0.00 C ATOM 0 H PHE A 17 -3.129 3.835 3.909 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.245 5.724 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.639 3.023 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.378 2.946 2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.674 4.184 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.864 3.345 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.980 4.360 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.177 3.558 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.232 4.049 -3.326 1.00 0.00 H new ATOM 290 N ASN A 18 -6.226 4.495 4.451 1.00 0.00 N ATOM 291 CA ASN A 18 -7.529 4.587 5.105 1.00 0.00 C ATOM 292 C ASN A 18 -7.608 5.729 6.121 1.00 0.00 C ATOM 293 O ASN A 18 -8.620 5.851 6.819 1.00 0.00 O ATOM 294 CB ASN A 18 -7.827 3.262 5.828 1.00 0.00 C ATOM 295 CG ASN A 18 -7.963 2.107 4.834 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.299 2.079 3.798 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.792 1.137 5.099 1.00 0.00 N ATOM 0 H ASN A 18 -5.568 3.878 4.927 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.264 4.789 4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.028 3.043 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.747 3.359 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.889 0.357 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.344 1.158 5.957 1.00 0.00 H new ATOM 304 N LEU A 19 -6.570 6.566 6.223 1.00 0.00 N ATOM 305 CA LEU A 19 -6.618 7.661 7.187 1.00 0.00 C ATOM 306 C LEU A 19 -7.625 8.716 6.723 1.00 0.00 C ATOM 307 O LEU A 19 -7.736 8.979 5.523 1.00 0.00 O ATOM 308 CB LEU A 19 -5.237 8.287 7.394 1.00 0.00 C ATOM 309 CG LEU A 19 -4.555 7.656 8.625 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.173 8.249 8.798 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.348 7.950 9.896 1.00 0.00 C ATOM 0 H LEU A 19 -5.715 6.508 5.669 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.939 7.257 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.622 8.133 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.333 9.364 7.532 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.502 6.579 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.692 7.803 9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.576 8.046 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.255 9.326 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.847 7.495 10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.411 9.028 10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.352 7.537 9.802 1.00 0.00 H new ATOM 323 N PRO A 20 -8.393 9.286 7.628 1.00 0.00 N ATOM 324 CA PRO A 20 -9.449 10.281 7.293 1.00 0.00 C ATOM 325 C PRO A 20 -8.969 11.726 7.121 1.00 0.00 C ATOM 326 O PRO A 20 -9.814 12.627 7.107 1.00 0.00 O ATOM 327 CB PRO A 20 -10.412 10.193 8.500 1.00 0.00 C ATOM 328 CG PRO A 20 -9.846 9.168 9.428 1.00 0.00 C ATOM 329 CD PRO A 20 -8.374 9.070 9.080 1.00 0.00 C ATOM 0 HA PRO A 20 -9.884 10.044 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.498 11.159 8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.414 9.910 8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.984 9.463 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.344 8.207 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.781 9.824 9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.956 8.099 9.343 1.00 0.00 H new ATOM 337 N ASN A 21 -7.651 11.996 7.012 1.00 0.00 N ATOM 338 CA ASN A 21 -7.246 13.417 6.878 1.00 0.00 C ATOM 339 C ASN A 21 -6.013 13.626 6.003 1.00 0.00 C ATOM 340 O ASN A 21 -5.617 14.769 5.765 1.00 0.00 O ATOM 341 CB ASN A 21 -7.010 14.056 8.256 1.00 0.00 C ATOM 342 CG ASN A 21 -7.733 13.287 9.358 1.00 0.00 C ATOM 343 OD1 ASN A 21 -7.373 12.160 9.666 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.734 13.834 9.973 1.00 0.00 N ATOM 0 H ASN A 21 -6.897 11.309 7.013 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.080 13.908 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.941 14.081 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.357 15.089 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.219 13.324 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.037 14.774 9.718 1.00 0.00 H new ATOM 351 N LEU A 22 -5.415 12.548 5.516 1.00 0.00 N ATOM 352 CA LEU A 22 -4.235 12.676 4.660 1.00 0.00 C ATOM 353 C LEU A 22 -4.639 13.013 3.237 1.00 0.00 C ATOM 354 O LEU A 22 -5.701 12.591 2.773 1.00 0.00 O ATOM 355 CB LEU A 22 -3.437 11.376 4.662 1.00 0.00 C ATOM 356 CG LEU A 22 -3.030 11.019 6.092 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.230 9.732 6.077 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.154 12.116 6.683 1.00 0.00 C ATOM 0 H LEU A 22 -5.717 11.590 5.692 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.617 13.483 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.034 10.572 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.550 11.482 4.038 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.932 10.906 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.938 9.473 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.839 8.930 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.337 9.866 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.872 11.848 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.256 12.231 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.706 13.056 6.695 1.00 0.00 H new ATOM 370 N ASN A 23 -3.777 13.755 2.537 1.00 0.00 N ATOM 371 CA ASN A 23 -4.057 14.116 1.153 1.00 0.00 C ATOM 372 C ASN A 23 -3.341 13.141 0.229 1.00 0.00 C ATOM 373 O ASN A 23 -2.462 12.393 0.667 1.00 0.00 O ATOM 374 CB ASN A 23 -3.649 15.574 0.864 1.00 0.00 C ATOM 375 CG ASN A 23 -2.132 15.753 0.853 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.409 15.020 1.516 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.608 16.705 0.133 1.00 0.00 N ATOM 0 H ASN A 23 -2.894 14.111 2.902 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.130 14.049 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.057 15.880 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.086 16.229 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.597 16.839 0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.209 17.316 -0.420 1.00 0.00 H new ATOM 384 N GLY A 24 -3.739 13.136 -1.039 1.00 0.00 N ATOM 385 CA GLY A 24 -3.153 12.229 -2.019 1.00 0.00 C ATOM 386 C GLY A 24 -1.627 12.248 -1.982 1.00 0.00 C ATOM 387 O GLY A 24 -0.993 11.228 -2.223 1.00 0.00 O ATOM 0 H GLY A 24 -4.464 13.749 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.507 11.215 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.494 12.505 -3.017 1.00 0.00 H new ATOM 391 N VAL A 25 -1.046 13.412 -1.686 1.00 0.00 N ATOM 392 CA VAL A 25 0.410 13.547 -1.640 1.00 0.00 C ATOM 393 C VAL A 25 1.018 12.908 -0.395 1.00 0.00 C ATOM 394 O VAL A 25 1.990 12.164 -0.508 1.00 0.00 O ATOM 395 CB VAL A 25 0.796 15.024 -1.720 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.320 15.169 -1.605 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.334 15.576 -3.072 1.00 0.00 C ATOM 0 H VAL A 25 -1.558 14.269 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 25 0.814 13.013 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 25 0.324 15.575 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.591 16.223 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.653 14.760 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.800 14.626 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.602 16.630 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.818 15.022 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.747 15.470 -3.158 1.00 0.00 H new ATOM 407 N GLN A 26 0.470 13.199 0.790 1.00 0.00 N ATOM 408 CA GLN A 26 1.020 12.628 2.013 1.00 0.00 C ATOM 409 C GLN A 26 0.920 11.115 1.989 1.00 0.00 C ATOM 410 O GLN A 26 1.887 10.426 2.308 1.00 0.00 O ATOM 411 CB GLN A 26 0.323 13.203 3.242 1.00 0.00 C ATOM 412 CG GLN A 26 1.103 14.439 3.720 1.00 0.00 C ATOM 413 CD GLN A 26 0.146 15.495 4.233 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.483 15.274 5.335 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.034 16.540 3.609 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.334 13.812 0.923 1.00 0.00 H new ATOM 0 HA GLN A 26 2.075 12.896 2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.705 13.475 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.277 12.456 4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.800 14.156 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.697 14.843 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.469 16.706 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.686 17.240 3.964 1.00 0.00 H new ATOM 424 N VAL A 27 -0.232 10.601 1.569 1.00 0.00 N ATOM 425 CA VAL A 27 -0.409 9.154 1.478 1.00 0.00 C ATOM 426 C VAL A 27 0.584 8.597 0.463 1.00 0.00 C ATOM 427 O VAL A 27 1.265 7.604 0.720 1.00 0.00 O ATOM 428 CB VAL A 27 -1.842 8.808 1.053 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.989 7.285 0.958 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.835 9.351 2.088 1.00 0.00 C ATOM 0 H VAL A 27 -1.044 11.152 1.291 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.229 8.709 2.457 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.050 9.259 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.006 7.036 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.286 6.897 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.779 6.838 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.851 9.103 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.629 8.903 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.731 10.434 2.159 1.00 0.00 H new ATOM 440 N LYS A 28 0.673 9.277 -0.677 1.00 0.00 N ATOM 441 CA LYS A 28 1.595 8.899 -1.744 1.00 0.00 C ATOM 442 C LYS A 28 3.033 8.941 -1.237 1.00 0.00 C ATOM 443 O LYS A 28 3.858 8.115 -1.621 1.00 0.00 O ATOM 444 CB LYS A 28 1.409 9.872 -2.929 1.00 0.00 C ATOM 445 CG LYS A 28 2.334 9.524 -4.103 1.00 0.00 C ATOM 446 CD LYS A 28 2.241 10.643 -5.151 1.00 0.00 C ATOM 447 CE LYS A 28 3.069 10.283 -6.388 1.00 0.00 C ATOM 448 NZ LYS A 28 2.772 11.250 -7.482 1.00 0.00 N ATOM 0 H LYS A 28 0.111 10.102 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 28 1.383 7.882 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.372 9.844 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.610 10.891 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.361 9.416 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.044 8.570 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.200 10.799 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.600 11.580 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.132 10.305 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.837 9.268 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.920 10.789 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.784 11.566 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.405 12.071 -7.401 1.00 0.00 H new ATOM 462 N ALA A 29 3.314 9.911 -0.370 1.00 0.00 N ATOM 463 CA ALA A 29 4.642 10.072 0.198 1.00 0.00 C ATOM 464 C ALA A 29 4.946 8.972 1.177 1.00 0.00 C ATOM 465 O ALA A 29 6.038 8.409 1.171 1.00 0.00 O ATOM 466 CB ALA A 29 4.730 11.395 0.929 1.00 0.00 C ATOM 0 H ALA A 29 2.633 10.598 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 29 5.361 10.037 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.727 11.511 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.535 12.210 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.991 11.418 1.730 1.00 0.00 H new ATOM 472 N PHE A 30 3.965 8.667 2.015 1.00 0.00 N ATOM 473 CA PHE A 30 4.124 7.633 2.987 1.00 0.00 C ATOM 474 C PHE A 30 4.340 6.327 2.255 1.00 0.00 C ATOM 475 O PHE A 30 5.209 5.539 2.626 1.00 0.00 O ATOM 476 CB PHE A 30 2.900 7.570 3.900 1.00 0.00 C ATOM 477 CG PHE A 30 2.768 8.855 4.715 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.895 9.413 5.350 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.515 9.496 4.842 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.767 10.587 6.091 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.404 10.668 5.588 1.00 0.00 C ATOM 482 CZ PHE A 30 2.527 11.209 6.210 1.00 0.00 C ATOM 0 H PHE A 30 3.056 9.130 2.029 1.00 0.00 H new ATOM 0 HA PHE A 30 4.986 7.835 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.001 7.419 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.984 6.715 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.858 8.932 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.643 9.078 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.633 11.015 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.446 11.157 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.435 12.117 6.788 1.00 0.00 H new ATOM 492 N ILE A 31 3.585 6.136 1.163 1.00 0.00 N ATOM 493 CA ILE A 31 3.745 4.947 0.352 1.00 0.00 C ATOM 494 C ILE A 31 5.101 4.970 -0.316 1.00 0.00 C ATOM 495 O ILE A 31 5.790 3.965 -0.345 1.00 0.00 O ATOM 496 CB ILE A 31 2.621 4.833 -0.694 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.303 4.532 0.038 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.919 3.703 -1.717 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.147 4.522 -0.958 1.00 0.00 C ATOM 0 H ILE A 31 2.871 6.786 0.835 1.00 0.00 H new ATOM 0 HA ILE A 31 3.680 4.071 0.997 1.00 0.00 H new ATOM 0 HB ILE A 31 2.550 5.772 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.369 3.568 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.125 5.283 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.108 3.646 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.854 3.917 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.004 2.751 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.784 4.308 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.075 5.496 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.323 3.755 -1.712 1.00 0.00 H new ATOM 511 N ASP A 32 5.478 6.128 -0.835 1.00 0.00 N ATOM 512 CA ASP A 32 6.769 6.265 -1.502 1.00 0.00 C ATOM 513 C ASP A 32 7.899 5.933 -0.533 1.00 0.00 C ATOM 514 O ASP A 32 8.865 5.251 -0.885 1.00 0.00 O ATOM 515 CB ASP A 32 6.938 7.688 -2.047 1.00 0.00 C ATOM 516 CG ASP A 32 8.142 7.750 -2.985 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.966 7.475 -4.162 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.221 8.064 -2.512 1.00 0.00 O ATOM 0 H ASP A 32 4.917 6.980 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 32 6.807 5.566 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.036 7.992 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.073 8.388 -1.223 1.00 0.00 H new ATOM 523 N SER A 33 7.735 6.404 0.690 1.00 0.00 N ATOM 524 CA SER A 33 8.697 6.158 1.759 1.00 0.00 C ATOM 525 C SER A 33 8.683 4.676 2.132 1.00 0.00 C ATOM 526 O SER A 33 9.723 4.078 2.406 1.00 0.00 O ATOM 527 CB SER A 33 8.333 7.016 2.967 1.00 0.00 C ATOM 528 OG SER A 33 8.469 8.389 2.625 1.00 0.00 O ATOM 0 H SER A 33 6.934 6.968 0.974 1.00 0.00 H new ATOM 0 HA SER A 33 9.700 6.422 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.310 6.807 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.981 6.773 3.809 1.00 0.00 H new ATOM 0 HG SER A 33 7.711 8.664 2.068 1.00 0.00 H new ATOM 534 N LEU A 34 7.483 4.100 2.100 1.00 0.00 N ATOM 535 CA LEU A 34 7.268 2.680 2.387 1.00 0.00 C ATOM 536 C LEU A 34 8.083 1.831 1.410 1.00 0.00 C ATOM 537 O LEU A 34 8.847 0.958 1.817 1.00 0.00 O ATOM 538 CB LEU A 34 5.777 2.393 2.195 1.00 0.00 C ATOM 539 CG LEU A 34 5.022 2.330 3.524 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.694 3.085 3.431 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.713 0.883 3.827 1.00 0.00 C ATOM 0 H LEU A 34 6.627 4.606 1.873 1.00 0.00 H new ATOM 0 HA LEU A 34 7.580 2.440 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.338 3.168 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.656 1.448 1.666 1.00 0.00 H new ATOM 0 HG LEU A 34 5.639 2.781 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.175 3.027 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.886 4.130 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.075 2.637 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.174 0.816 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.098 0.467 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.643 0.320 3.899 1.00 0.00 H new ATOM 553 N ARG A 35 7.914 2.114 0.120 1.00 0.00 N ATOM 554 CA ARG A 35 8.651 1.381 -0.934 1.00 0.00 C ATOM 555 C ARG A 35 10.155 1.543 -0.730 1.00 0.00 C ATOM 556 O ARG A 35 10.913 0.572 -0.785 1.00 0.00 O ATOM 557 CB ARG A 35 8.336 1.907 -2.353 1.00 0.00 C ATOM 558 CG ARG A 35 7.066 2.752 -2.368 1.00 0.00 C ATOM 559 CD ARG A 35 6.615 3.048 -3.801 1.00 0.00 C ATOM 560 NE ARG A 35 5.878 1.917 -4.337 1.00 0.00 N ATOM 561 CZ ARG A 35 6.497 0.927 -4.955 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.844 1.043 -6.199 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.769 -0.152 -4.301 1.00 0.00 N ATOM 0 H ARG A 35 7.283 2.836 -0.229 1.00 0.00 H new ATOM 0 HA ARG A 35 8.337 0.340 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.174 2.502 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.222 1.066 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.272 2.229 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.243 3.688 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.989 3.940 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.482 3.257 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 35 4.864 1.887 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.639 1.903 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.322 0.274 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.506 -0.233 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.247 -0.924 -4.766 1.00 0.00 H new ATOM 577 N ASP A 36 10.565 2.794 -0.505 1.00 0.00 N ATOM 578 CA ASP A 36 11.969 3.133 -0.300 1.00 0.00 C ATOM 579 C ASP A 36 12.513 2.425 0.927 1.00 0.00 C ATOM 580 O ASP A 36 13.672 2.005 0.959 1.00 0.00 O ATOM 581 CB ASP A 36 12.114 4.641 -0.130 1.00 0.00 C ATOM 582 CG ASP A 36 13.592 5.034 -0.104 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.157 5.214 -1.171 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.137 5.144 0.983 1.00 0.00 O ATOM 0 H ASP A 36 9.934 3.594 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 36 12.538 2.809 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.608 5.156 -0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.630 4.958 0.794 1.00 0.00 H new ATOM 589 N ASP A 37 11.654 2.297 1.930 1.00 0.00 N ATOM 590 CA ASP A 37 12.027 1.639 3.170 1.00 0.00 C ATOM 591 C ASP A 37 10.796 1.054 3.849 1.00 0.00 C ATOM 592 O ASP A 37 10.060 1.756 4.548 1.00 0.00 O ATOM 593 CB ASP A 37 12.746 2.624 4.103 1.00 0.00 C ATOM 594 CG ASP A 37 13.434 1.865 5.240 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.735 1.241 6.019 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.650 1.920 5.313 1.00 0.00 O ATOM 0 H ASP A 37 10.694 2.641 1.907 1.00 0.00 H new ATOM 0 HA ASP A 37 12.713 0.823 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.482 3.198 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.031 3.337 4.512 1.00 0.00 H new ATOM 601 N PRO A 38 10.563 -0.222 3.649 1.00 0.00 N ATOM 602 CA PRO A 38 9.402 -0.923 4.247 1.00 0.00 C ATOM 603 C PRO A 38 9.521 -1.050 5.761 1.00 0.00 C ATOM 604 O PRO A 38 8.520 -1.092 6.468 1.00 0.00 O ATOM 605 CB PRO A 38 9.381 -2.289 3.573 1.00 0.00 C ATOM 606 CG PRO A 38 10.513 -2.344 2.598 1.00 0.00 C ATOM 607 CD PRO A 38 11.392 -1.125 2.834 1.00 0.00 C ATOM 0 HA PRO A 38 8.477 -0.370 4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.479 -3.081 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.431 -2.447 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.088 -3.261 2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.136 -2.350 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.312 -1.394 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.681 -0.657 1.893 1.00 0.00 H new ATOM 615 N SER A 39 10.753 -1.090 6.252 1.00 0.00 N ATOM 616 CA SER A 39 10.991 -1.177 7.690 1.00 0.00 C ATOM 617 C SER A 39 10.404 0.063 8.348 1.00 0.00 C ATOM 618 O SER A 39 9.944 0.028 9.491 1.00 0.00 O ATOM 619 CB SER A 39 12.494 -1.263 7.986 1.00 0.00 C ATOM 620 OG SER A 39 13.111 -2.141 7.054 1.00 0.00 O ATOM 0 H SER A 39 11.598 -1.064 5.682 1.00 0.00 H new ATOM 0 HA SER A 39 10.518 -2.076 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.945 -0.273 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.655 -1.622 9.002 1.00 0.00 H new ATOM 0 HG SER A 39 12.523 -2.907 6.888 1.00 0.00 H new ATOM 626 N GLN A 40 10.418 1.156 7.585 1.00 0.00 N ATOM 627 CA GLN A 40 9.887 2.427 8.042 1.00 0.00 C ATOM 628 C GLN A 40 8.373 2.496 7.839 1.00 0.00 C ATOM 629 O GLN A 40 7.748 3.470 8.220 1.00 0.00 O ATOM 630 CB GLN A 40 10.555 3.580 7.273 1.00 0.00 C ATOM 631 CG GLN A 40 11.641 4.238 8.131 1.00 0.00 C ATOM 632 CD GLN A 40 12.846 3.309 8.273 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.762 2.275 8.938 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.967 3.616 7.682 1.00 0.00 N ATOM 0 H GLN A 40 10.797 1.179 6.638 1.00 0.00 H new ATOM 0 HA GLN A 40 10.101 2.518 9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.992 3.203 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.806 4.321 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.951 5.179 7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.240 4.476 9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.036 4.472 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.775 3.000 7.770 1.00 0.00 H new ATOM 643 N SER A 41 7.788 1.472 7.229 1.00 0.00 N ATOM 644 CA SER A 41 6.348 1.468 6.967 1.00 0.00 C ATOM 645 C SER A 41 5.555 1.822 8.226 1.00 0.00 C ATOM 646 O SER A 41 4.558 2.541 8.162 1.00 0.00 O ATOM 647 CB SER A 41 5.935 0.068 6.511 1.00 0.00 C ATOM 648 OG SER A 41 6.090 -0.849 7.588 1.00 0.00 O ATOM 0 H SER A 41 8.281 0.639 6.908 1.00 0.00 H new ATOM 0 HA SER A 41 6.135 2.211 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.899 0.076 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.545 -0.244 5.663 1.00 0.00 H new ATOM 0 HG SER A 41 6.982 -1.253 7.548 1.00 0.00 H new ATOM 654 N ALA A 42 6.036 1.340 9.365 1.00 0.00 N ATOM 655 CA ALA A 42 5.407 1.616 10.649 1.00 0.00 C ATOM 656 C ALA A 42 5.542 3.085 10.986 1.00 0.00 C ATOM 657 O ALA A 42 4.627 3.715 11.511 1.00 0.00 O ATOM 658 CB ALA A 42 6.131 0.827 11.726 1.00 0.00 C ATOM 0 H ALA A 42 6.867 0.751 9.425 1.00 0.00 H new ATOM 0 HA ALA A 42 4.354 1.340 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.670 1.024 12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.065 -0.238 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.178 1.127 11.755 1.00 0.00 H new ATOM 664 N ASN A 43 6.721 3.599 10.678 1.00 0.00 N ATOM 665 CA ASN A 43 7.063 4.979 10.928 1.00 0.00 C ATOM 666 C ASN A 43 6.246 5.912 10.047 1.00 0.00 C ATOM 667 O ASN A 43 5.876 7.003 10.448 1.00 0.00 O ATOM 668 CB ASN A 43 8.548 5.151 10.630 1.00 0.00 C ATOM 669 CG ASN A 43 9.385 4.766 11.847 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.329 5.434 12.878 1.00 0.00 O ATOM 671 ND2 ASN A 43 10.163 3.720 11.787 1.00 0.00 N ATOM 0 H ASN A 43 7.471 3.061 10.244 1.00 0.00 H new ATOM 0 HA ASN A 43 6.844 5.231 11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.828 4.532 9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.752 6.185 10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.725 3.456 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.209 3.167 10.931 1.00 0.00 H new ATOM 678 N LEU A 44 5.992 5.451 8.843 1.00 0.00 N ATOM 679 CA LEU A 44 5.237 6.189 7.843 1.00 0.00 C ATOM 680 C LEU A 44 3.796 6.175 8.216 1.00 0.00 C ATOM 681 O LEU A 44 3.083 7.172 8.112 1.00 0.00 O ATOM 682 CB LEU A 44 5.507 5.509 6.513 1.00 0.00 C ATOM 683 CG LEU A 44 7.021 5.567 6.331 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.496 4.592 5.271 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.382 6.987 5.986 1.00 0.00 C ATOM 0 H LEU A 44 6.308 4.536 8.521 1.00 0.00 H new ATOM 0 HA LEU A 44 5.531 7.236 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.151 4.479 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.993 6.020 5.699 1.00 0.00 H new ATOM 0 HG LEU A 44 7.521 5.268 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.579 4.663 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.224 3.577 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.027 4.834 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.460 7.065 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.877 7.277 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.071 7.648 6.795 1.00 0.00 H new ATOM 697 N LEU A 45 3.421 5.041 8.734 1.00 0.00 N ATOM 698 CA LEU A 45 2.092 4.848 9.255 1.00 0.00 C ATOM 699 C LEU A 45 1.948 5.770 10.455 1.00 0.00 C ATOM 700 O LEU A 45 0.920 6.396 10.666 1.00 0.00 O ATOM 701 CB LEU A 45 1.911 3.379 9.653 1.00 0.00 C ATOM 702 CG LEU A 45 0.672 3.199 10.538 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.573 3.738 9.825 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.505 1.709 10.837 1.00 0.00 C ATOM 0 H LEU A 45 4.025 4.222 8.809 1.00 0.00 H new ATOM 0 HA LEU A 45 1.327 5.083 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.815 2.765 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.796 3.031 10.185 1.00 0.00 H new ATOM 0 HG LEU A 45 0.797 3.754 11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.445 3.604 10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.439 4.798 9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.721 3.196 8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.372 1.560 11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.378 1.162 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.390 1.341 11.356 1.00 0.00 H new ATOM 716 N ALA A 46 3.035 5.865 11.209 1.00 0.00 N ATOM 717 CA ALA A 46 3.092 6.726 12.375 1.00 0.00 C ATOM 718 C ALA A 46 2.982 8.174 11.953 1.00 0.00 C ATOM 719 O ALA A 46 2.223 8.955 12.525 1.00 0.00 O ATOM 720 CB ALA A 46 4.427 6.541 13.091 1.00 0.00 C ATOM 0 H ALA A 46 3.896 5.349 11.028 1.00 0.00 H new ATOM 0 HA ALA A 46 2.268 6.464 13.038 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.464 7.190 13.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.530 5.502 13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.242 6.798 12.414 1.00 0.00 H new ATOM 726 N GLU A 47 3.747 8.498 10.923 1.00 0.00 N ATOM 727 CA GLU A 47 3.768 9.821 10.366 1.00 0.00 C ATOM 728 C GLU A 47 2.407 10.154 9.819 1.00 0.00 C ATOM 729 O GLU A 47 1.946 11.279 9.913 1.00 0.00 O ATOM 730 CB GLU A 47 4.772 9.853 9.225 1.00 0.00 C ATOM 731 CG GLU A 47 6.207 10.002 9.729 1.00 0.00 C ATOM 732 CD GLU A 47 6.334 11.179 10.704 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.951 12.279 10.336 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.812 10.960 11.804 1.00 0.00 O ATOM 0 H GLU A 47 4.370 7.840 10.455 1.00 0.00 H new ATOM 0 HA GLU A 47 4.043 10.541 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.686 8.937 8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.535 10.681 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.519 9.082 10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.878 10.153 8.884 1.00 0.00 H new ATOM 741 N ALA A 48 1.774 9.149 9.247 1.00 0.00 N ATOM 742 CA ALA A 48 0.472 9.306 8.685 1.00 0.00 C ATOM 743 C ALA A 48 -0.529 9.554 9.793 1.00 0.00 C ATOM 744 O ALA A 48 -1.315 10.491 9.719 1.00 0.00 O ATOM 745 CB ALA A 48 0.146 8.049 7.925 1.00 0.00 C ATOM 0 H ALA A 48 2.157 8.207 9.165 1.00 0.00 H new ATOM 0 HA ALA A 48 0.434 10.159 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.846 8.138 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.883 7.899 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.164 7.197 8.605 1.00 0.00 H new ATOM 751 N LYS A 49 -0.453 8.740 10.849 1.00 0.00 N ATOM 752 CA LYS A 49 -1.322 8.923 12.000 1.00 0.00 C ATOM 753 C LYS A 49 -1.092 10.319 12.556 1.00 0.00 C ATOM 754 O LYS A 49 -1.999 10.949 13.091 1.00 0.00 O ATOM 755 CB LYS A 49 -1.024 7.872 13.079 1.00 0.00 C ATOM 756 CG LYS A 49 -1.400 6.475 12.568 1.00 0.00 C ATOM 757 CD LYS A 49 -2.919 6.273 12.629 1.00 0.00 C ATOM 758 CE LYS A 49 -3.283 4.981 11.894 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.510 5.275 10.450 1.00 0.00 N ATOM 0 H LYS A 49 0.196 7.957 10.925 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.362 8.804 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.033 7.899 13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.585 8.100 13.985 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.051 6.350 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.901 5.715 13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.250 6.221 13.666 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.430 7.121 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.483 4.249 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.180 4.542 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.321 4.421 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.496 5.573 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.871 6.037 10.146 1.00 0.00 H new ATOM 773 N LYS A 50 0.139 10.802 12.406 1.00 0.00 N ATOM 774 CA LYS A 50 0.488 12.125 12.865 1.00 0.00 C ATOM 775 C LYS A 50 -0.058 13.187 11.929 1.00 0.00 C ATOM 776 O LYS A 50 -0.564 14.219 12.368 1.00 0.00 O ATOM 777 CB LYS A 50 2.012 12.249 12.991 1.00 0.00 C ATOM 778 CG LYS A 50 2.497 11.528 14.260 1.00 0.00 C ATOM 779 CD LYS A 50 4.009 11.259 14.166 1.00 0.00 C ATOM 780 CE LYS A 50 4.774 12.576 13.984 1.00 0.00 C ATOM 781 NZ LYS A 50 6.231 12.336 14.188 1.00 0.00 N ATOM 0 H LYS A 50 0.905 10.289 11.969 1.00 0.00 H new ATOM 0 HA LYS A 50 0.038 12.281 13.845 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.494 11.819 12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.297 13.300 13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.281 12.136 15.139 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.959 10.588 14.383 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.352 10.753 15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.215 10.592 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.597 12.977 12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.414 13.320 14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.723 13.247 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.373 11.773 15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.616 11.820 13.371 1.00 0.00 H new ATOM 795 N LEU A 51 0.064 12.921 10.637 1.00 0.00 N ATOM 796 CA LEU A 51 -0.398 13.850 9.624 1.00 0.00 C ATOM 797 C LEU A 51 -1.913 13.913 9.599 1.00 0.00 C ATOM 798 O LEU A 51 -2.494 14.991 9.495 1.00 0.00 O ATOM 799 CB LEU A 51 0.131 13.448 8.241 1.00 0.00 C ATOM 800 CG LEU A 51 1.427 14.203 7.905 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.195 15.720 7.988 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.552 13.790 8.868 1.00 0.00 C ATOM 0 H LEU A 51 0.481 12.066 10.268 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.013 14.838 9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.315 12.374 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.624 13.659 7.484 1.00 0.00 H new ATOM 0 HG LEU A 51 1.724 13.946 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.121 16.243 7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.420 16.009 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.880 15.985 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.463 14.333 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.259 14.025 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.732 12.719 8.779 1.00 0.00 H new ATOM 814 N ASN A 52 -2.543 12.748 9.705 1.00 0.00 N ATOM 815 CA ASN A 52 -3.989 12.676 9.705 1.00 0.00 C ATOM 816 C ASN A 52 -4.512 13.381 10.945 1.00 0.00 C ATOM 817 O ASN A 52 -5.466 14.154 10.880 1.00 0.00 O ATOM 818 CB ASN A 52 -4.456 11.212 9.663 1.00 0.00 C ATOM 819 CG ASN A 52 -4.875 10.704 11.045 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.046 10.265 11.822 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.123 10.739 11.393 1.00 0.00 N ATOM 0 H ASN A 52 -2.072 11.847 9.791 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.384 13.170 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.294 11.119 8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.652 10.586 9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.406 10.400 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.822 11.105 10.747 1.00 0.00 H new ATOM 828 N ASP A 53 -3.857 13.108 12.076 1.00 0.00 N ATOM 829 CA ASP A 53 -4.243 13.720 13.331 1.00 0.00 C ATOM 830 C ASP A 53 -4.031 15.229 13.258 1.00 0.00 C ATOM 831 O ASP A 53 -4.853 16.009 13.743 1.00 0.00 O ATOM 832 CB ASP A 53 -3.431 13.123 14.480 1.00 0.00 C ATOM 833 CG ASP A 53 -3.911 13.662 15.827 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.527 14.768 16.175 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.657 12.961 16.490 1.00 0.00 O ATOM 0 H ASP A 53 -3.063 12.470 12.140 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.299 13.522 13.514 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.519 12.037 14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.375 13.359 14.345 1.00 0.00 H new ATOM 840 N ALA A 54 -2.923 15.622 12.630 1.00 0.00 N ATOM 841 CA ALA A 54 -2.597 17.028 12.464 1.00 0.00 C ATOM 842 C ALA A 54 -3.623 17.686 11.546 1.00 0.00 C ATOM 843 O ALA A 54 -4.036 18.824 11.772 1.00 0.00 O ATOM 844 CB ALA A 54 -1.196 17.165 11.864 1.00 0.00 C ATOM 0 H ALA A 54 -2.238 14.981 12.229 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.618 17.522 13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.955 18.221 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.468 16.702 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.166 16.670 10.893 1.00 0.00 H new ATOM 850 N GLN A 55 -4.037 16.940 10.518 1.00 0.00 N ATOM 851 CA GLN A 55 -5.030 17.424 9.563 1.00 0.00 C ATOM 852 C GLN A 55 -6.446 17.147 10.069 1.00 0.00 C ATOM 853 O GLN A 55 -7.428 17.425 9.378 1.00 0.00 O ATOM 854 CB GLN A 55 -4.808 16.724 8.223 1.00 0.00 C ATOM 855 CG GLN A 55 -3.548 17.282 7.557 1.00 0.00 C ATOM 856 CD GLN A 55 -3.152 16.398 6.385 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.799 15.167 6.614 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.166 16.834 5.235 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.697 15.997 10.328 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.918 18.502 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.706 15.649 8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.671 16.874 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.728 18.300 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.734 17.330 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.443 17.800 5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.900 16.230 4.457 1.00 0.00 H new ATOM 867 N ALA A 56 -6.540 16.595 11.282 1.00 0.00 N ATOM 868 CA ALA A 56 -7.833 16.277 11.879 1.00 0.00 C ATOM 869 C ALA A 56 -8.585 17.547 12.262 1.00 0.00 C ATOM 870 O ALA A 56 -8.008 18.636 12.297 1.00 0.00 O ATOM 871 CB ALA A 56 -7.641 15.385 13.110 1.00 0.00 C ATOM 0 H ALA A 56 -5.737 16.361 11.866 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.427 15.740 11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.612 15.154 13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.147 14.459 12.815 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.027 15.906 13.845 1.00 0.00 H new ATOM 877 N PRO A 57 -9.868 17.427 12.522 1.00 0.00 N ATOM 878 CA PRO A 57 -10.747 18.572 12.879 1.00 0.00 C ATOM 879 C PRO A 57 -10.651 18.950 14.354 1.00 0.00 C ATOM 880 O PRO A 57 -11.626 19.393 14.968 1.00 0.00 O ATOM 881 CB PRO A 57 -12.152 18.057 12.501 1.00 0.00 C ATOM 882 CG PRO A 57 -11.970 16.674 11.964 1.00 0.00 C ATOM 883 CD PRO A 57 -10.653 16.192 12.518 1.00 0.00 C ATOM 0 HA PRO A 57 -10.472 19.491 12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.809 18.052 13.370 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.614 18.704 11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.787 16.023 12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.959 16.675 10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.758 15.770 13.517 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.202 15.422 11.892 1.00 0.00 H new ATOM 891 N LYS A 58 -9.457 18.780 14.901 1.00 0.00 N ATOM 892 CA LYS A 58 -9.193 19.105 16.302 1.00 0.00 C ATOM 893 C LYS A 58 -8.671 20.536 16.434 1.00 0.00 C ATOM 894 O LYS A 58 -9.144 21.241 17.311 1.00 0.00 O ATOM 895 CB LYS A 58 -8.175 18.133 16.884 1.00 0.00 C ATOM 896 CG LYS A 58 -8.746 16.707 16.874 1.00 0.00 C ATOM 897 CD LYS A 58 -7.886 15.786 17.757 1.00 0.00 C ATOM 898 CE LYS A 58 -6.497 15.586 17.134 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.622 14.787 15.884 1.00 0.00 N ATOM 900 OXT LYS A 58 -7.806 20.907 15.655 1.00 0.00 O ATOM 0 H LYS A 58 -8.649 18.417 14.396 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.129 19.020 16.855 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.253 18.169 16.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.922 18.425 17.903 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.774 16.716 17.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.772 16.325 15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.785 16.218 18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.380 14.822 17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.042 16.552 16.916 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.841 15.077 17.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.086 15.249 15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.244 13.831 16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.624 14.722 15.612 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -17.380 -3.766 5.603 1.00 0.00 N ATOM 916 CA VAL B 1 -16.156 -4.496 6.044 1.00 0.00 C ATOM 917 C VAL B 1 -15.501 -5.165 4.834 1.00 0.00 C ATOM 918 O VAL B 1 -16.171 -5.479 3.847 1.00 0.00 O ATOM 919 CB VAL B 1 -16.540 -5.543 7.110 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.406 -6.652 6.489 1.00 0.00 C ATOM 921 CG2 VAL B 1 -15.271 -6.164 7.711 1.00 0.00 C ATOM 0 H1 VAL B 1 -18.176 -4.017 6.223 1.00 0.00 H new ATOM 0 H2 VAL B 1 -17.210 -2.741 5.654 1.00 0.00 H new ATOM 0 H3 VAL B 1 -17.608 -4.030 4.623 1.00 0.00 H new ATOM 0 HA VAL B 1 -15.443 -3.799 6.484 1.00 0.00 H new ATOM 0 HB VAL B 1 -17.111 -5.045 7.894 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -17.667 -7.382 7.255 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -18.316 -6.216 6.078 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -16.849 -7.146 5.693 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -15.548 -6.903 8.463 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -14.694 -6.648 6.923 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -14.668 -5.383 8.174 1.00 0.00 H new ATOM 933 N ASP B 2 -14.189 -5.384 4.926 1.00 0.00 N ATOM 934 CA ASP B 2 -13.439 -6.021 3.845 1.00 0.00 C ATOM 935 C ASP B 2 -13.760 -7.513 3.773 1.00 0.00 C ATOM 936 O ASP B 2 -14.049 -8.146 4.792 1.00 0.00 O ATOM 937 CB ASP B 2 -11.932 -5.828 4.063 1.00 0.00 C ATOM 938 CG ASP B 2 -11.153 -6.328 2.844 1.00 0.00 C ATOM 939 OD1 ASP B 2 -11.072 -5.591 1.876 1.00 0.00 O ATOM 940 OD2 ASP B 2 -10.650 -7.439 2.894 1.00 0.00 O ATOM 0 H ASP B 2 -13.625 -5.130 5.737 1.00 0.00 H new ATOM 0 HA ASP B 2 -13.731 -5.553 2.905 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -11.714 -4.774 4.236 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -11.614 -6.369 4.954 1.00 0.00 H new ATOM 945 N ASN B 3 -13.697 -8.062 2.559 1.00 0.00 N ATOM 946 CA ASN B 3 -13.967 -9.480 2.331 1.00 0.00 C ATOM 947 C ASN B 3 -12.949 -10.344 3.087 1.00 0.00 C ATOM 948 O ASN B 3 -12.062 -9.818 3.766 1.00 0.00 O ATOM 949 CB ASN B 3 -13.889 -9.771 0.820 1.00 0.00 C ATOM 950 CG ASN B 3 -14.526 -11.121 0.479 1.00 0.00 C ATOM 951 OD1 ASN B 3 -15.380 -11.619 1.214 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.154 -11.750 -0.601 1.00 0.00 N ATOM 0 H ASN B 3 -13.460 -7.541 1.715 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.964 -9.722 2.699 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.395 -8.978 0.268 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.847 -9.767 0.500 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.570 -12.651 -0.835 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -13.447 -11.340 -1.212 1.00 0.00 H new ATOM 959 N LYS B 4 -13.068 -11.671 2.956 1.00 0.00 N ATOM 960 CA LYS B 4 -12.138 -12.587 3.625 1.00 0.00 C ATOM 961 C LYS B 4 -10.699 -12.282 3.202 1.00 0.00 C ATOM 962 O LYS B 4 -9.740 -12.734 3.832 1.00 0.00 O ATOM 963 CB LYS B 4 -12.495 -14.049 3.304 1.00 0.00 C ATOM 964 CG LYS B 4 -12.477 -14.280 1.782 1.00 0.00 C ATOM 965 CD LYS B 4 -11.771 -15.602 1.447 1.00 0.00 C ATOM 966 CE LYS B 4 -10.253 -15.459 1.641 1.00 0.00 C ATOM 967 NZ LYS B 4 -9.628 -14.924 0.398 1.00 0.00 N ATOM 0 H LYS B 4 -13.790 -12.129 2.400 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.223 -12.442 4.702 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.785 -14.719 3.789 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.481 -14.286 3.703 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.497 -14.299 1.399 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.966 -13.453 1.289 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.153 -16.398 2.086 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.988 -15.887 0.418 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.046 -14.792 2.478 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.817 -16.427 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -8.867 -14.261 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.233 -15.709 -0.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.347 -14.428 -0.166 1.00 0.00 H new ATOM 981 N PHE B 5 -10.576 -11.499 2.131 1.00 0.00 N ATOM 982 CA PHE B 5 -9.291 -11.097 1.593 1.00 0.00 C ATOM 983 C PHE B 5 -8.605 -10.067 2.477 1.00 0.00 C ATOM 984 O PHE B 5 -7.638 -9.464 2.060 1.00 0.00 O ATOM 985 CB PHE B 5 -9.485 -10.522 0.186 1.00 0.00 C ATOM 986 CG PHE B 5 -9.785 -11.657 -0.751 1.00 0.00 C ATOM 987 CD1 PHE B 5 -11.009 -12.316 -0.657 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.829 -12.072 -1.683 1.00 0.00 C ATOM 989 CE1 PHE B 5 -11.286 -13.394 -1.500 1.00 0.00 C ATOM 990 CE2 PHE B 5 -9.101 -13.152 -2.523 1.00 0.00 C ATOM 991 CZ PHE B 5 -10.329 -13.813 -2.433 1.00 0.00 C ATOM 0 H PHE B 5 -11.373 -11.127 1.614 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.652 -11.979 1.554 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.301 -9.799 0.180 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.588 -9.992 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.743 -11.993 0.067 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.882 -11.558 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -12.236 -13.904 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.363 -13.477 -3.242 1.00 0.00 H new ATOM 0 HZ PHE B 5 -10.540 -14.648 -3.084 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.074 -9.876 3.704 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.408 -8.924 4.590 1.00 0.00 C ATOM 1003 C ASN B 6 -6.989 -9.393 4.795 1.00 0.00 C ATOM 1004 O ASN B 6 -6.068 -8.590 4.839 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.146 -8.802 5.929 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.626 -7.599 6.722 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.595 -6.925 6.287 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.180 -7.263 7.768 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.886 -10.349 4.101 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.412 -7.932 4.138 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.216 -8.693 5.752 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.010 -9.714 6.510 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.985 -7.788 8.110 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -8.834 -6.460 8.293 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.839 -10.706 4.864 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.539 -11.327 5.003 1.00 0.00 C ATOM 1017 C LYS B 7 -4.780 -11.257 3.670 1.00 0.00 C ATOM 1018 O LYS B 7 -3.573 -11.039 3.639 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.741 -12.785 5.450 1.00 0.00 C ATOM 1020 CG LYS B 7 -6.357 -13.626 4.321 1.00 0.00 C ATOM 1021 CD LYS B 7 -6.761 -15.004 4.866 1.00 0.00 C ATOM 1022 CE LYS B 7 -7.129 -15.941 3.708 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.921 -16.700 3.278 1.00 0.00 N ATOM 0 H LYS B 7 -7.615 -11.367 4.825 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.945 -10.802 5.751 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -4.784 -13.214 5.747 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.389 -12.814 6.326 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -7.228 -13.117 3.909 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -5.641 -13.741 3.507 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.940 -15.431 5.443 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -7.608 -14.901 5.545 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -7.913 -16.631 4.020 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -7.526 -15.365 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -6.209 -17.503 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -5.293 -16.074 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -5.417 -17.054 4.116 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.520 -11.474 2.579 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.960 -11.468 1.222 1.00 0.00 C ATOM 1039 C GLU B 8 -4.620 -10.060 0.705 1.00 0.00 C ATOM 1040 O GLU B 8 -3.570 -9.845 0.095 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.990 -12.096 0.263 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.254 -13.566 0.625 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.958 -14.379 0.563 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -4.351 -14.414 -0.495 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.588 -14.947 1.576 1.00 0.00 O ATOM 0 H GLU B 8 -6.523 -11.659 2.610 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.029 -12.034 1.260 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.923 -11.534 0.306 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.625 -12.030 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.681 -13.628 1.626 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.988 -13.989 -0.061 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.550 -9.131 0.913 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.431 -7.759 0.439 1.00 0.00 C ATOM 1054 C ARG B 9 -4.235 -7.049 1.060 1.00 0.00 C ATOM 1055 O ARG B 9 -3.467 -6.407 0.360 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.719 -7.004 0.800 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.718 -5.603 0.174 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.799 -4.747 0.838 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.481 -4.559 2.251 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.427 -4.563 3.181 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.344 -3.638 3.187 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -8.442 -5.495 4.085 1.00 0.00 N ATOM 0 H ARG B 9 -6.415 -9.314 1.421 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.280 -7.776 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.586 -7.564 0.449 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.808 -6.924 1.883 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.741 -5.137 0.301 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.901 -5.672 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.868 -3.780 0.339 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.771 -5.229 0.735 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.509 -4.421 2.529 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.336 -2.908 2.475 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.070 -3.644 3.904 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -7.727 -6.223 4.079 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.169 -5.500 4.801 1.00 0.00 H new ATOM 1076 N VAL B 10 -4.082 -7.186 2.375 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.980 -6.547 3.100 1.00 0.00 C ATOM 1078 C VAL B 10 -1.633 -6.976 2.509 1.00 0.00 C ATOM 1079 O VAL B 10 -0.713 -6.162 2.409 1.00 0.00 O ATOM 1080 CB VAL B 10 -3.119 -6.816 4.619 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.353 -8.295 4.909 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.888 -6.312 5.400 1.00 0.00 C ATOM 0 H VAL B 10 -4.708 -7.735 2.964 1.00 0.00 H new ATOM 0 HA VAL B 10 -3.026 -5.465 2.978 1.00 0.00 H new ATOM 0 HB VAL B 10 -3.992 -6.258 4.957 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.445 -8.445 5.985 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.269 -8.622 4.417 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -2.512 -8.877 4.533 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -2.022 -6.518 6.462 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -0.995 -6.823 5.041 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -1.777 -5.238 5.250 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.534 -8.232 2.073 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.303 -8.715 1.443 1.00 0.00 C ATOM 1094 C ILE B 11 -0.117 -8.076 0.058 1.00 0.00 C ATOM 1095 O ILE B 11 0.958 -7.572 -0.245 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.326 -10.246 1.348 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.465 -10.812 2.764 1.00 0.00 C ATOM 1098 CG2 ILE B 11 0.977 -10.778 0.722 1.00 0.00 C ATOM 1099 CD1 ILE B 11 -0.360 -12.335 2.740 1.00 0.00 C ATOM 0 H ILE B 11 -2.279 -8.925 2.142 1.00 0.00 H new ATOM 0 HA ILE B 11 0.547 -8.423 2.060 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.161 -10.553 0.719 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.312 -10.397 3.406 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.423 -10.514 3.190 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.936 -11.866 0.666 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.093 -10.367 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.825 -10.478 1.338 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.461 -12.723 3.754 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.153 -12.745 2.114 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.609 -12.627 2.335 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.173 -8.080 -0.771 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.102 -7.483 -2.102 1.00 0.00 C ATOM 1113 C ALA B 12 -0.825 -6.015 -2.000 1.00 0.00 C ATOM 1114 O ALA B 12 -0.050 -5.494 -2.788 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.411 -7.693 -2.842 1.00 0.00 C ATOM 0 H ALA B 12 -2.078 -8.489 -0.539 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.293 -7.966 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.345 -7.243 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.606 -8.761 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.223 -7.226 -2.285 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.420 -5.363 -1.003 1.00 0.00 N ATOM 1122 CA ILE B 13 -1.180 -3.948 -0.804 1.00 0.00 C ATOM 1123 C ILE B 13 0.312 -3.777 -0.641 1.00 0.00 C ATOM 1124 O ILE B 13 0.896 -2.901 -1.245 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.917 -3.438 0.453 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.440 -3.500 0.262 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.546 -1.984 0.727 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.125 -3.542 1.615 1.00 0.00 C ATOM 0 H ILE B 13 -2.061 -5.789 -0.334 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.552 -3.372 -1.651 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.620 -4.077 1.285 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.781 -2.632 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.707 -4.383 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.072 -1.636 1.616 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.471 -1.907 0.888 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.830 -1.369 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.205 -3.586 1.475 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.794 -4.424 2.163 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.869 -2.646 2.181 1.00 0.00 H new ATOM 1140 N GLY B 14 0.902 -4.668 0.152 1.00 0.00 N ATOM 1141 CA GLY B 14 2.341 -4.673 0.401 1.00 0.00 C ATOM 1142 C GLY B 14 3.131 -5.105 -0.811 1.00 0.00 C ATOM 1143 O GLY B 14 4.239 -4.630 -1.029 1.00 0.00 O ATOM 0 H GLY B 14 0.396 -5.407 0.640 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.659 -3.675 0.702 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.561 -5.342 1.233 1.00 0.00 H new ATOM 1147 N GLU B 15 2.569 -6.024 -1.583 1.00 0.00 N ATOM 1148 CA GLU B 15 3.252 -6.536 -2.750 1.00 0.00 C ATOM 1149 C GLU B 15 3.451 -5.408 -3.729 1.00 0.00 C ATOM 1150 O GLU B 15 4.517 -5.293 -4.333 1.00 0.00 O ATOM 1151 CB GLU B 15 2.443 -7.674 -3.353 1.00 0.00 C ATOM 1152 CG GLU B 15 3.372 -8.613 -4.141 1.00 0.00 C ATOM 1153 CD GLU B 15 2.628 -9.887 -4.546 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.135 -10.573 -3.663 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.566 -10.165 -5.732 1.00 0.00 O ATOM 0 H GLU B 15 1.646 -6.426 -1.419 1.00 0.00 H new ATOM 0 HA GLU B 15 4.231 -6.934 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU B 15 1.934 -8.228 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.671 -7.275 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.744 -8.104 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.240 -8.869 -3.534 1.00 0.00 H new ATOM 1162 N ILE B 16 2.444 -4.536 -3.844 1.00 0.00 N ATOM 1163 CA ILE B 16 2.607 -3.376 -4.737 1.00 0.00 C ATOM 1164 C ILE B 16 3.828 -2.584 -4.254 1.00 0.00 C ATOM 1165 O ILE B 16 4.686 -2.173 -5.039 1.00 0.00 O ATOM 1166 CB ILE B 16 1.418 -2.377 -4.696 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.054 -3.067 -4.667 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.477 -1.477 -5.933 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.156 -3.875 -5.935 1.00 0.00 C ATOM 0 H ILE B 16 1.549 -4.599 -3.359 1.00 0.00 H new ATOM 0 HA ILE B 16 2.692 -3.773 -5.749 1.00 0.00 H new ATOM 0 HB ILE B 16 1.518 -1.804 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.012 -3.720 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.736 -2.322 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.645 -0.773 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.418 -0.927 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.410 -2.090 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.131 -4.360 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.111 -3.213 -6.800 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.623 -4.632 -6.017 1.00 0.00 H new ATOM 1181 N MET B 17 3.867 -2.390 -2.934 1.00 0.00 N ATOM 1182 CA MET B 17 4.938 -1.661 -2.255 1.00 0.00 C ATOM 1183 C MET B 17 6.281 -2.384 -2.419 1.00 0.00 C ATOM 1184 O MET B 17 7.337 -1.747 -2.429 1.00 0.00 O ATOM 1185 CB MET B 17 4.595 -1.516 -0.776 1.00 0.00 C ATOM 1186 CG MET B 17 3.154 -1.047 -0.613 1.00 0.00 C ATOM 1187 SD MET B 17 2.972 0.614 -1.264 1.00 0.00 S ATOM 1188 CE MET B 17 4.037 1.400 -0.050 1.00 0.00 C ATOM 0 H MET B 17 3.148 -2.739 -2.301 1.00 0.00 H new ATOM 0 HA MET B 17 5.030 -0.673 -2.705 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.734 -2.470 -0.268 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.272 -0.803 -0.306 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.480 -1.727 -1.135 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.874 -1.066 0.440 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.562 2.311 0.315 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.203 0.718 0.784 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.993 1.649 -0.511 1.00 0.00 H new ATOM 1198 N ARG B 18 6.240 -3.716 -2.550 1.00 0.00 N ATOM 1199 CA ARG B 18 7.461 -4.497 -2.730 1.00 0.00 C ATOM 1200 C ARG B 18 8.042 -4.279 -4.127 1.00 0.00 C ATOM 1201 O ARG B 18 9.262 -4.242 -4.290 1.00 0.00 O ATOM 1202 CB ARG B 18 7.203 -5.987 -2.514 1.00 0.00 C ATOM 1203 CG ARG B 18 6.970 -6.312 -1.024 1.00 0.00 C ATOM 1204 CD ARG B 18 8.196 -5.951 -0.172 1.00 0.00 C ATOM 1205 NE ARG B 18 9.408 -6.553 -0.725 1.00 0.00 N ATOM 1206 CZ ARG B 18 10.408 -5.804 -1.177 1.00 0.00 C ATOM 1207 NH1 ARG B 18 11.113 -5.089 -0.349 1.00 0.00 N ATOM 1208 NH2 ARG B 18 10.680 -5.784 -2.450 1.00 0.00 N ATOM 0 H ARG B 18 5.382 -4.267 -2.534 1.00 0.00 H new ATOM 0 HA ARG B 18 8.179 -4.155 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.333 -6.294 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.052 -6.561 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.100 -5.764 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.747 -7.373 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.309 -4.868 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.048 -6.296 0.851 1.00 0.00 H new ATOM 0 HE ARG B 18 9.488 -7.569 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.898 -5.103 0.648 1.00 0.00 H new ATOM 0 HH12 ARG B 18 11.880 -4.514 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.126 -6.343 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG B 18 11.447 -5.209 -2.799 1.00 0.00 H new ATOM 1222 N LEU B 19 7.161 -4.132 -5.131 1.00 0.00 N ATOM 1223 CA LEU B 19 7.610 -3.913 -6.510 1.00 0.00 C ATOM 1224 C LEU B 19 8.492 -2.665 -6.576 1.00 0.00 C ATOM 1225 O LEU B 19 8.005 -1.550 -6.377 1.00 0.00 O ATOM 1226 CB LEU B 19 6.421 -3.724 -7.459 1.00 0.00 C ATOM 1227 CG LEU B 19 5.498 -4.950 -7.494 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.236 -4.589 -8.261 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.163 -6.103 -8.225 1.00 0.00 C ATOM 0 H LEU B 19 6.148 -4.161 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 19 8.173 -4.793 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.848 -2.850 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.791 -3.522 -8.464 1.00 0.00 H new ATOM 0 HG LEU B 19 5.275 -5.245 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.571 -5.452 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.732 -3.761 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.499 -4.295 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.491 -6.961 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.389 -5.803 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.087 -6.373 -7.714 1.00 0.00 H new ATOM 1241 N PRO B 20 9.773 -2.826 -6.830 1.00 0.00 N ATOM 1242 CA PRO B 20 10.732 -1.689 -6.893 1.00 0.00 C ATOM 1243 C PRO B 20 10.679 -0.885 -8.199 1.00 0.00 C ATOM 1244 O PRO B 20 11.464 0.050 -8.367 1.00 0.00 O ATOM 1245 CB PRO B 20 12.106 -2.361 -6.727 1.00 0.00 C ATOM 1246 CG PRO B 20 11.870 -3.826 -6.569 1.00 0.00 C ATOM 1247 CD PRO B 20 10.471 -4.099 -7.081 1.00 0.00 C ATOM 0 HA PRO B 20 10.498 -0.950 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.736 -2.165 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.627 -1.960 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.607 -4.400 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.965 -4.123 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.472 -4.357 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.002 -4.928 -6.551 1.00 0.00 H new ATOM 1255 N ASN B 21 9.776 -1.240 -9.126 1.00 0.00 N ATOM 1256 CA ASN B 21 9.691 -0.517 -10.399 1.00 0.00 C ATOM 1257 C ASN B 21 8.438 0.359 -10.464 1.00 0.00 C ATOM 1258 O ASN B 21 8.363 1.265 -11.295 1.00 0.00 O ATOM 1259 CB ASN B 21 9.688 -1.503 -11.566 1.00 0.00 C ATOM 1260 CG ASN B 21 10.910 -2.417 -11.504 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.795 -3.653 -11.895 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.993 -1.996 -11.099 1.00 0.00 N flip ATOM 0 H ASN B 21 9.110 -2.005 -9.021 1.00 0.00 H new ATOM 0 HA ASN B 21 10.565 0.131 -10.470 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.778 -2.102 -11.540 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.683 -0.957 -12.510 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.081 -1.027 -10.793 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.802 -2.616 -11.069 1.00 0.00 H new ATOM 1269 N LEU B 22 7.453 0.090 -9.595 1.00 0.00 N ATOM 1270 CA LEU B 22 6.218 0.878 -9.595 1.00 0.00 C ATOM 1271 C LEU B 22 6.429 2.283 -9.055 1.00 0.00 C ATOM 1272 O LEU B 22 7.369 2.556 -8.307 1.00 0.00 O ATOM 1273 CB LEU B 22 5.113 0.209 -8.756 1.00 0.00 C ATOM 1274 CG LEU B 22 4.682 -1.129 -9.346 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.391 -1.596 -8.667 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.424 -0.956 -10.824 1.00 0.00 C ATOM 0 H LEU B 22 7.487 -0.653 -8.897 1.00 0.00 H new ATOM 0 HA LEU B 22 5.911 0.934 -10.639 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.472 0.058 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.251 0.873 -8.695 1.00 0.00 H new ATOM 0 HG LEU B 22 5.468 -1.868 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.083 -2.553 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.564 -1.710 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.606 -0.858 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.115 -1.909 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.635 -0.219 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.336 -0.615 -11.315 1.00 0.00 H new ATOM 1288 N ASN B 23 5.499 3.156 -9.429 1.00 0.00 N ATOM 1289 CA ASN B 23 5.495 4.539 -8.988 1.00 0.00 C ATOM 1290 C ASN B 23 4.612 4.624 -7.745 1.00 0.00 C ATOM 1291 O ASN B 23 3.718 3.800 -7.577 1.00 0.00 O ATOM 1292 CB ASN B 23 4.938 5.389 -10.154 1.00 0.00 C ATOM 1293 CG ASN B 23 4.070 6.549 -9.699 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.936 6.685 -10.144 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.541 7.407 -8.863 1.00 0.00 N ATOM 0 H ASN B 23 4.725 2.919 -10.050 1.00 0.00 H new ATOM 0 HA ASN B 23 6.488 4.908 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.771 5.777 -10.740 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.355 4.747 -10.815 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.971 8.200 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.485 7.293 -8.493 1.00 0.00 H new ATOM 1302 N SER B 24 4.840 5.617 -6.888 1.00 0.00 N ATOM 1303 CA SER B 24 4.022 5.754 -5.683 1.00 0.00 C ATOM 1304 C SER B 24 2.557 5.945 -6.072 1.00 0.00 C ATOM 1305 O SER B 24 1.665 5.354 -5.466 1.00 0.00 O ATOM 1306 CB SER B 24 4.520 6.921 -4.831 1.00 0.00 C ATOM 1307 OG SER B 24 4.706 8.063 -5.653 1.00 0.00 O ATOM 0 H SER B 24 5.567 6.324 -7.000 1.00 0.00 H new ATOM 0 HA SER B 24 4.106 4.845 -5.087 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.801 7.141 -4.042 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.458 6.655 -4.343 1.00 0.00 H new ATOM 0 HG SER B 24 5.306 8.695 -5.204 1.00 0.00 H new ATOM 1313 N LEU B 25 2.331 6.742 -7.116 1.00 0.00 N ATOM 1314 CA LEU B 25 0.987 6.980 -7.623 1.00 0.00 C ATOM 1315 C LEU B 25 0.442 5.720 -8.293 1.00 0.00 C ATOM 1316 O LEU B 25 -0.737 5.395 -8.138 1.00 0.00 O ATOM 1317 CB LEU B 25 0.984 8.148 -8.623 1.00 0.00 C ATOM 1318 CG LEU B 25 0.162 9.305 -8.085 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.145 10.454 -9.102 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.259 8.818 -7.823 1.00 0.00 C ATOM 0 H LEU B 25 3.066 7.233 -7.626 1.00 0.00 H new ATOM 0 HA LEU B 25 0.346 7.240 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.006 8.477 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.575 7.816 -9.578 1.00 0.00 H new ATOM 0 HG LEU B 25 0.603 9.670 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.447 11.280 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.165 10.793 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.295 10.106 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.860 9.641 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.697 8.455 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.238 8.009 -7.093 1.00 0.00 H new ATOM 1332 N GLN B 26 1.309 4.995 -9.016 1.00 0.00 N ATOM 1333 CA GLN B 26 0.894 3.760 -9.668 1.00 0.00 C ATOM 1334 C GLN B 26 0.500 2.756 -8.611 1.00 0.00 C ATOM 1335 O GLN B 26 -0.461 2.005 -8.756 1.00 0.00 O ATOM 1336 CB GLN B 26 2.051 3.164 -10.460 1.00 0.00 C ATOM 1337 CG GLN B 26 2.244 3.887 -11.791 1.00 0.00 C ATOM 1338 CD GLN B 26 3.446 3.296 -12.519 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.181 2.400 -11.918 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.725 3.659 -13.659 1.00 0.00 N flip ATOM 0 H GLN B 26 2.288 5.244 -9.158 1.00 0.00 H new ATOM 0 HA GLN B 26 0.061 3.982 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.967 3.228 -9.873 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.863 2.106 -10.643 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.349 3.788 -12.405 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.397 4.953 -11.620 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.149 4.359 -14.127 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.532 3.260 -14.138 1.00 0.00 H new ATOM 1349 N VAL B 27 1.274 2.772 -7.541 1.00 0.00 N ATOM 1350 CA VAL B 27 1.057 1.888 -6.424 1.00 0.00 C ATOM 1351 C VAL B 27 -0.284 2.189 -5.798 1.00 0.00 C ATOM 1352 O VAL B 27 -1.071 1.283 -5.550 1.00 0.00 O ATOM 1353 CB VAL B 27 2.229 2.033 -5.445 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.905 1.400 -4.089 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.443 1.330 -6.067 1.00 0.00 C ATOM 0 H VAL B 27 2.069 3.400 -7.428 1.00 0.00 H new ATOM 0 HA VAL B 27 1.026 0.846 -6.743 1.00 0.00 H new ATOM 0 HB VAL B 27 2.431 3.090 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.756 1.520 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.032 1.890 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.696 0.339 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.297 1.415 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.211 0.277 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.685 1.798 -7.021 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.564 3.472 -5.619 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.839 3.899 -5.101 1.00 0.00 C ATOM 1367 C VAL B 28 -2.937 3.425 -6.057 1.00 0.00 C ATOM 1368 O VAL B 28 -4.036 3.091 -5.632 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.874 5.427 -4.963 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.246 5.846 -4.433 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.775 5.892 -3.990 1.00 0.00 C ATOM 0 H VAL B 28 0.083 4.232 -5.828 1.00 0.00 H new ATOM 0 HA VAL B 28 -1.999 3.468 -4.113 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.698 5.886 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.281 6.931 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.020 5.522 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.417 5.385 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.806 6.978 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.940 5.440 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.200 5.588 -4.371 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.611 3.395 -7.354 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.550 2.955 -8.377 1.00 0.00 C ATOM 1383 C ALA B 29 -3.970 1.519 -8.099 1.00 0.00 C ATOM 1384 O ALA B 29 -5.156 1.183 -8.156 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.881 3.044 -9.759 1.00 0.00 C ATOM 0 H ALA B 29 -1.698 3.673 -7.715 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.432 3.596 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.583 2.715 -10.525 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.587 4.075 -9.955 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -1.998 2.405 -9.778 1.00 0.00 H new ATOM 1391 N PHE B 30 -2.985 0.681 -7.775 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.230 -0.692 -7.469 1.00 0.00 C ATOM 1393 C PHE B 30 -3.890 -0.810 -6.104 1.00 0.00 C ATOM 1394 O PHE B 30 -4.874 -1.523 -5.966 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.891 -1.434 -7.534 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.352 -1.334 -8.952 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.102 -1.826 -10.036 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.115 -0.712 -9.193 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.617 -1.688 -11.335 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.362 -0.586 -10.494 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.390 -1.072 -11.565 1.00 0.00 C ATOM 0 H PHE B 30 -2.003 0.953 -7.723 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.916 -1.140 -8.188 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.183 -1.000 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.023 -2.479 -7.252 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.052 -2.310 -9.862 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.467 -0.331 -8.367 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.196 -2.061 -12.167 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.315 -0.112 -10.675 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.019 -0.970 -12.574 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.386 -0.064 -5.113 1.00 0.00 N ATOM 1412 CA ILE B 31 -3.979 -0.097 -3.772 1.00 0.00 C ATOM 1413 C ILE B 31 -5.450 0.303 -3.861 1.00 0.00 C ATOM 1414 O ILE B 31 -6.319 -0.347 -3.280 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.223 0.852 -2.823 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.754 0.406 -2.681 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.879 0.823 -1.438 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.928 1.554 -2.089 1.00 0.00 C ATOM 0 H ILE B 31 -2.584 0.559 -5.211 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.902 -1.108 -3.372 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.260 1.860 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.690 -0.472 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.354 0.119 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.343 1.495 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.917 1.145 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.844 -0.191 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.111 1.240 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.983 2.420 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.324 1.819 -1.109 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.720 1.350 -4.628 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.095 1.810 -4.836 1.00 0.00 C ATOM 1432 C ASN B 32 -7.934 0.695 -5.466 1.00 0.00 C ATOM 1433 O ASN B 32 -9.134 0.601 -5.212 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.132 3.029 -5.775 1.00 0.00 C ATOM 1435 CG ASN B 32 -6.962 4.332 -5.001 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.042 5.179 -5.368 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.695 4.592 -4.048 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.012 1.898 -5.117 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.501 2.087 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.341 2.941 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.079 3.046 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.415 3.928 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.583 5.472 -3.544 1.00 0.00 H new ATOM 1444 N SER B 33 -7.292 -0.150 -6.286 1.00 0.00 N ATOM 1445 CA SER B 33 -7.978 -1.243 -6.933 1.00 0.00 C ATOM 1446 C SER B 33 -8.156 -2.387 -5.935 1.00 0.00 C ATOM 1447 O SER B 33 -9.146 -3.113 -5.998 1.00 0.00 O ATOM 1448 CB SER B 33 -7.249 -1.647 -8.211 1.00 0.00 C ATOM 1449 OG SER B 33 -7.633 -0.771 -9.262 1.00 0.00 O ATOM 0 H SER B 33 -6.298 -0.085 -6.507 1.00 0.00 H new ATOM 0 HA SER B 33 -8.976 -0.938 -7.247 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.171 -1.602 -8.059 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.491 -2.677 -8.473 1.00 0.00 H new ATOM 0 HG SER B 33 -7.167 -1.024 -10.086 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.228 -2.494 -4.959 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.370 -3.502 -3.899 1.00 0.00 C ATOM 1457 C LEU B 34 -8.656 -3.129 -3.175 1.00 0.00 C ATOM 1458 O LEU B 34 -9.526 -3.959 -2.911 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.168 -3.454 -2.920 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.855 -3.699 -3.684 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.646 -3.613 -2.772 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.883 -5.075 -4.283 1.00 0.00 C ATOM 0 H LEU B 34 -6.395 -1.909 -4.887 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.398 -4.513 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.133 -2.485 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.292 -4.208 -2.142 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.773 -2.929 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.740 -3.792 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.599 -2.621 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.729 -4.364 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.955 -5.254 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.988 -5.815 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.726 -5.156 -4.969 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.761 -1.824 -2.943 1.00 0.00 N ATOM 1475 CA ARG B 35 -9.945 -1.200 -2.335 1.00 0.00 C ATOM 1476 C ARG B 35 -11.186 -1.472 -3.187 1.00 0.00 C ATOM 1477 O ARG B 35 -12.233 -1.869 -2.671 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.706 0.325 -2.282 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.011 0.907 -0.889 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.889 1.869 -0.470 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.576 1.708 0.946 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.346 2.240 1.886 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.201 3.492 2.215 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.244 1.509 2.482 1.00 0.00 N ATOM 0 H ARG B 35 -8.023 -1.158 -3.172 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.104 -1.610 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.670 0.539 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.333 0.817 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.966 1.432 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.103 0.102 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.998 1.680 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.192 2.897 -0.666 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.749 1.176 1.218 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.495 4.063 1.750 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.793 3.901 2.938 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.355 0.528 2.226 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.836 1.918 3.205 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.047 -1.245 -4.495 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.141 -1.448 -5.442 1.00 0.00 C ATOM 1500 C ASP B 36 -12.592 -2.906 -5.459 1.00 0.00 C ATOM 1501 O ASP B 36 -13.785 -3.196 -5.566 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.683 -1.041 -6.850 1.00 0.00 C ATOM 1503 CG ASP B 36 -12.856 -1.114 -7.828 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.599 -0.149 -7.906 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -12.995 -2.136 -8.482 1.00 0.00 O ATOM 0 H ASP B 36 -10.181 -0.918 -4.923 1.00 0.00 H new ATOM 0 HA ASP B 36 -12.983 -0.831 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.279 -0.029 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -10.880 -1.699 -7.184 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.623 -3.810 -5.362 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.905 -5.240 -5.380 1.00 0.00 C ATOM 1512 C ASP B 37 -10.872 -6.008 -4.571 1.00 0.00 C ATOM 1513 O ASP B 37 -9.802 -6.362 -5.077 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.919 -5.754 -6.828 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.356 -5.901 -7.321 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.921 -6.967 -7.127 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.870 -4.949 -7.884 1.00 0.00 O ATOM 0 H ASP B 37 -10.634 -3.577 -5.270 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.884 -5.400 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.375 -5.063 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.407 -6.714 -6.886 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.185 -6.293 -3.331 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.280 -7.061 -2.451 1.00 0.00 C ATOM 1524 C PRO B 38 -10.137 -8.500 -2.936 1.00 0.00 C ATOM 1525 O PRO B 38 -9.110 -9.144 -2.722 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.925 -7.016 -1.073 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.177 -6.204 -1.176 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.433 -5.913 -2.650 1.00 0.00 C ATOM 0 HA PRO B 38 -9.274 -6.640 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.152 -8.024 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.243 -6.574 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.018 -6.745 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.075 -5.274 -0.617 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.279 -6.488 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.667 -4.860 -2.811 1.00 0.00 H new ATOM 1536 N SER B 39 -11.185 -8.981 -3.609 1.00 0.00 N ATOM 1537 CA SER B 39 -11.194 -10.328 -4.152 1.00 0.00 C ATOM 1538 C SER B 39 -10.174 -10.422 -5.274 1.00 0.00 C ATOM 1539 O SER B 39 -9.479 -11.431 -5.410 1.00 0.00 O ATOM 1540 CB SER B 39 -12.593 -10.671 -4.672 1.00 0.00 C ATOM 1541 OG SER B 39 -12.992 -9.701 -5.636 1.00 0.00 O ATOM 0 H SER B 39 -12.038 -8.450 -3.788 1.00 0.00 H new ATOM 0 HA SER B 39 -10.932 -11.041 -3.370 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.593 -11.665 -5.119 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.304 -10.693 -3.846 1.00 0.00 H new ATOM 0 HG SER B 39 -13.278 -8.883 -5.178 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.076 -9.341 -6.057 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.125 -9.280 -7.148 1.00 0.00 C ATOM 1549 C GLN B 40 -7.901 -8.488 -6.726 1.00 0.00 C ATOM 1550 O GLN B 40 -7.195 -7.946 -7.572 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.737 -8.669 -8.420 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.256 -8.905 -8.473 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.552 -10.384 -8.715 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.039 -10.975 -9.665 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.350 -11.022 -7.907 1.00 0.00 N ATOM 0 H GLN B 40 -10.647 -8.503 -5.947 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.836 -10.304 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.531 -7.599 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.267 -9.108 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.714 -8.583 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.697 -8.304 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.776 -10.533 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.549 -12.010 -8.062 1.00 0.00 H new ATOM 1564 N SER B 41 -7.631 -8.437 -5.414 1.00 0.00 N ATOM 1565 CA SER B 41 -6.458 -7.724 -4.936 1.00 0.00 C ATOM 1566 C SER B 41 -5.224 -8.252 -5.648 1.00 0.00 C ATOM 1567 O SER B 41 -4.276 -7.519 -5.912 1.00 0.00 O ATOM 1568 CB SER B 41 -6.293 -7.937 -3.432 1.00 0.00 C ATOM 1569 OG SER B 41 -7.189 -7.093 -2.733 1.00 0.00 O ATOM 0 H SER B 41 -8.199 -8.872 -4.687 1.00 0.00 H new ATOM 0 HA SER B 41 -6.581 -6.660 -5.139 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.486 -8.979 -3.179 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.267 -7.722 -3.134 1.00 0.00 H new ATOM 0 HG SER B 41 -7.509 -7.551 -1.928 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.280 -9.534 -5.962 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.215 -10.218 -6.667 1.00 0.00 C ATOM 1577 C ALA B 42 -4.177 -9.803 -8.138 1.00 0.00 C ATOM 1578 O ALA B 42 -3.141 -9.908 -8.786 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.468 -11.720 -6.584 1.00 0.00 C ATOM 0 H ALA B 42 -6.073 -10.133 -5.732 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.261 -9.956 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.675 -12.252 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.481 -12.030 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.428 -11.953 -7.044 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.337 -9.377 -8.652 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.491 -8.986 -10.048 1.00 0.00 C ATOM 1587 C ASN B 43 -4.792 -7.686 -10.382 1.00 0.00 C ATOM 1588 O ASN B 43 -3.985 -7.631 -11.301 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.957 -8.820 -10.334 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.218 -8.831 -11.838 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.825 -7.821 -12.565 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.784 -9.786 -12.366 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.194 -9.296 -8.105 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.036 -9.767 -10.657 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.519 -9.623 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.312 -7.883 -9.905 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.091 -10.575 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.947 -9.789 -13.373 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.106 -6.637 -9.629 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.487 -5.361 -9.867 1.00 0.00 C ATOM 1601 C LEU B 44 -3.051 -5.448 -9.376 1.00 0.00 C ATOM 1602 O LEU B 44 -2.156 -4.799 -9.896 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.318 -4.177 -9.295 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.408 -4.140 -7.776 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.288 -5.263 -7.287 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.034 -4.167 -7.145 1.00 0.00 C ATOM 0 H LEU B 44 -5.778 -6.655 -8.861 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.462 -5.133 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.880 -3.242 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.327 -4.228 -9.704 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.867 -3.200 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.348 -5.231 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.287 -5.153 -7.709 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.866 -6.218 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.131 -4.140 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.516 -5.080 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.463 -3.301 -7.480 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.837 -6.331 -8.402 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.505 -6.593 -7.902 1.00 0.00 C ATOM 1620 C LEU B 45 -0.762 -7.233 -9.054 1.00 0.00 C ATOM 1621 O LEU B 45 0.407 -6.958 -9.316 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.588 -7.548 -6.703 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.261 -8.287 -6.477 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.882 -7.281 -6.324 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.384 -9.155 -5.212 1.00 0.00 C ATOM 0 H LEU B 45 -3.573 -6.872 -7.949 1.00 0.00 H new ATOM 0 HA LEU B 45 -0.999 -5.690 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.849 -6.986 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.385 -8.273 -6.869 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.043 -8.923 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.818 -7.816 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.959 -6.677 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.684 -6.633 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.553 -9.685 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.602 -8.519 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.190 -9.877 -5.343 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.516 -8.048 -9.777 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.004 -8.709 -10.957 1.00 0.00 C ATOM 1639 C ALA B 46 -0.653 -7.626 -11.967 1.00 0.00 C ATOM 1640 O ALA B 46 0.402 -7.646 -12.592 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.065 -9.657 -11.540 1.00 0.00 C ATOM 0 H ALA B 46 -2.489 -8.265 -9.561 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.125 -9.305 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.666 -10.148 -12.428 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.328 -10.410 -10.797 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.954 -9.087 -11.809 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.549 -6.648 -12.060 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.364 -5.501 -12.925 1.00 0.00 C ATOM 1649 C GLU B 47 -0.149 -4.702 -12.470 1.00 0.00 C ATOM 1650 O GLU B 47 0.513 -4.048 -13.273 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.585 -4.565 -12.868 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.841 -5.229 -13.425 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.623 -5.717 -14.858 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.299 -4.896 -15.702 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.770 -6.906 -15.087 1.00 0.00 O ATOM 0 H GLU B 47 -2.423 -6.634 -11.534 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.230 -5.872 -13.941 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.762 -4.263 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.373 -3.658 -13.434 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.122 -6.070 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.670 -4.521 -13.402 1.00 0.00 H new ATOM 1662 N ALA B 48 0.092 -4.722 -11.157 1.00 0.00 N ATOM 1663 CA ALA B 48 1.164 -3.968 -10.562 1.00 0.00 C ATOM 1664 C ALA B 48 2.496 -4.595 -10.834 1.00 0.00 C ATOM 1665 O ALA B 48 3.421 -3.923 -11.247 1.00 0.00 O ATOM 1666 CB ALA B 48 0.933 -3.933 -9.062 1.00 0.00 C ATOM 0 H ALA B 48 -0.457 -5.264 -10.490 1.00 0.00 H new ATOM 0 HA ALA B 48 1.172 -2.966 -10.990 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.732 -3.367 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.025 -3.457 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.925 -4.951 -8.671 1.00 0.00 H new ATOM 1672 N LYS B 49 2.582 -5.889 -10.617 1.00 0.00 N ATOM 1673 CA LYS B 49 3.818 -6.594 -10.870 1.00 0.00 C ATOM 1674 C LYS B 49 4.105 -6.526 -12.365 1.00 0.00 C ATOM 1675 O LYS B 49 5.257 -6.448 -12.781 1.00 0.00 O ATOM 1676 CB LYS B 49 3.725 -8.014 -10.327 1.00 0.00 C ATOM 1677 CG LYS B 49 2.602 -8.760 -11.015 1.00 0.00 C ATOM 1678 CD LYS B 49 2.567 -10.221 -10.545 1.00 0.00 C ATOM 1679 CE LYS B 49 2.259 -10.290 -9.042 1.00 0.00 C ATOM 1680 NZ LYS B 49 3.525 -10.518 -8.289 1.00 0.00 N ATOM 0 H LYS B 49 1.819 -6.469 -10.269 1.00 0.00 H new ATOM 0 HA LYS B 49 4.658 -6.132 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.669 -8.535 -10.486 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.551 -7.990 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.649 -8.278 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.739 -8.722 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS B 49 1.811 -10.772 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.525 -10.699 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.789 -9.364 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.553 -11.095 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 3.416 -10.172 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.741 -11.535 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 4.302 -10.006 -8.754 1.00 0.00 H new ATOM 1694 N LYS B 50 3.027 -6.476 -13.160 1.00 0.00 N ATOM 1695 CA LYS B 50 3.154 -6.318 -14.600 1.00 0.00 C ATOM 1696 C LYS B 50 3.624 -4.907 -14.913 1.00 0.00 C ATOM 1697 O LYS B 50 4.437 -4.709 -15.805 1.00 0.00 O ATOM 1698 CB LYS B 50 1.830 -6.583 -15.301 1.00 0.00 C ATOM 1699 CG LYS B 50 1.590 -8.100 -15.398 1.00 0.00 C ATOM 1700 CD LYS B 50 0.471 -8.397 -16.405 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.869 -7.846 -15.902 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.062 -6.463 -16.423 1.00 0.00 N ATOM 0 H LYS B 50 2.066 -6.543 -12.825 1.00 0.00 H new ATOM 0 HA LYS B 50 3.882 -7.043 -14.963 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.016 -6.110 -14.752 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.840 -6.142 -16.298 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.508 -8.602 -15.705 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.322 -8.496 -14.419 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.715 -7.951 -17.369 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.392 -9.473 -16.562 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.686 -8.488 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.887 -7.842 -14.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.078 -6.275 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.660 -5.779 -15.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.583 -6.368 -17.341 1.00 0.00 H new ATOM 1716 N LEU B 51 3.116 -3.929 -14.155 1.00 0.00 N ATOM 1717 CA LEU B 51 3.530 -2.542 -14.354 1.00 0.00 C ATOM 1718 C LEU B 51 4.957 -2.392 -13.914 1.00 0.00 C ATOM 1719 O LEU B 51 5.771 -1.737 -14.564 1.00 0.00 O ATOM 1720 CB LEU B 51 2.642 -1.586 -13.554 1.00 0.00 C ATOM 1721 CG LEU B 51 1.796 -0.769 -14.519 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.704 0.239 -15.238 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.119 -1.722 -15.523 1.00 0.00 C ATOM 0 H LEU B 51 2.431 -4.070 -13.413 1.00 0.00 H new ATOM 0 HA LEU B 51 3.433 -2.293 -15.411 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.001 -2.148 -12.875 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.256 -0.926 -12.941 1.00 0.00 H new ATOM 0 HG LEU B 51 1.019 -0.221 -13.986 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.110 0.832 -15.934 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.169 0.898 -14.504 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.479 -0.296 -15.787 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.510 -1.145 -16.219 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.882 -2.269 -16.076 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.485 -2.427 -14.985 1.00 0.00 H new ATOM 1735 N ASN B 52 5.249 -3.068 -12.825 1.00 0.00 N ATOM 1736 CA ASN B 52 6.579 -3.102 -12.288 1.00 0.00 C ATOM 1737 C ASN B 52 7.458 -3.681 -13.356 1.00 0.00 C ATOM 1738 O ASN B 52 8.523 -3.161 -13.675 1.00 0.00 O ATOM 1739 CB ASN B 52 6.574 -4.011 -11.067 1.00 0.00 C ATOM 1740 CG ASN B 52 7.975 -4.501 -10.750 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.686 -3.833 -9.917 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.422 -5.520 -11.276 1.00 0.00 N flip ATOM 0 H ASN B 52 4.567 -3.607 -12.292 1.00 0.00 H new ATOM 0 HA ASN B 52 6.933 -2.114 -11.995 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.170 -3.473 -10.210 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.918 -4.863 -11.246 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.850 -6.045 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.364 -5.839 -11.051 1.00 0.00 H new ATOM 1749 N ASP B 53 6.940 -4.752 -13.922 1.00 0.00 N ATOM 1750 CA ASP B 53 7.621 -5.443 -15.012 1.00 0.00 C ATOM 1751 C ASP B 53 7.735 -4.517 -16.219 1.00 0.00 C ATOM 1752 O ASP B 53 8.738 -4.528 -16.935 1.00 0.00 O ATOM 1753 CB ASP B 53 6.861 -6.708 -15.418 1.00 0.00 C ATOM 1754 CG ASP B 53 7.677 -7.498 -16.443 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.580 -8.210 -16.033 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.394 -7.372 -17.623 1.00 0.00 O ATOM 0 H ASP B 53 6.049 -5.168 -13.649 1.00 0.00 H new ATOM 0 HA ASP B 53 8.615 -5.727 -14.666 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.668 -7.325 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.892 -6.441 -15.839 1.00 0.00 H new ATOM 1761 N ALA B 54 6.686 -3.721 -16.426 1.00 0.00 N ATOM 1762 CA ALA B 54 6.631 -2.782 -17.535 1.00 0.00 C ATOM 1763 C ALA B 54 7.736 -1.745 -17.399 1.00 0.00 C ATOM 1764 O ALA B 54 8.364 -1.357 -18.385 1.00 0.00 O ATOM 1765 CB ALA B 54 5.265 -2.098 -17.544 1.00 0.00 C ATOM 0 H ALA B 54 5.858 -3.712 -15.831 1.00 0.00 H new ATOM 0 HA ALA B 54 6.775 -3.318 -18.473 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.217 -1.392 -18.373 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.483 -2.848 -17.660 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.119 -1.565 -16.605 1.00 0.00 H new ATOM 1771 N GLN B 55 7.976 -1.320 -16.158 1.00 0.00 N ATOM 1772 CA GLN B 55 9.016 -0.343 -15.875 1.00 0.00 C ATOM 1773 C GLN B 55 10.363 -1.031 -15.667 1.00 0.00 C ATOM 1774 O GLN B 55 11.413 -0.386 -15.715 1.00 0.00 O ATOM 1775 CB GLN B 55 8.626 0.439 -14.641 1.00 0.00 C ATOM 1776 CG GLN B 55 7.400 1.295 -14.953 1.00 0.00 C ATOM 1777 CD GLN B 55 6.617 1.544 -13.680 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.018 0.540 -13.106 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.552 2.671 -13.192 1.00 0.00 N flip ATOM 0 H GLN B 55 7.462 -1.639 -15.337 1.00 0.00 H new ATOM 0 HA GLN B 55 9.117 0.334 -16.723 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.408 -0.242 -13.818 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.454 1.072 -14.321 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.708 2.243 -15.394 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.770 0.792 -15.687 1.00 0.00 H new ATOM 0 HE21 GLN B 55 7.024 3.452 -13.648 1.00 0.00 H new ATOM 0 HE22 GLN B 55 6.026 2.825 -12.332 1.00 0.00 H new ATOM 1788 N ALA B 56 10.321 -2.346 -15.443 1.00 0.00 N ATOM 1789 CA ALA B 56 11.542 -3.126 -15.236 1.00 0.00 C ATOM 1790 C ALA B 56 12.296 -3.293 -16.543 1.00 0.00 C ATOM 1791 O ALA B 56 11.761 -3.014 -17.620 1.00 0.00 O ATOM 1792 CB ALA B 56 11.220 -4.516 -14.679 1.00 0.00 C ATOM 0 H ALA B 56 9.459 -2.890 -15.400 1.00 0.00 H new ATOM 0 HA ALA B 56 12.157 -2.582 -14.519 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.145 -5.074 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.705 -4.415 -13.724 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.580 -5.050 -15.381 1.00 0.00 H new ATOM 1798 N PRO B 57 13.519 -3.751 -16.469 1.00 0.00 N ATOM 1799 CA PRO B 57 14.368 -3.970 -17.652 1.00 0.00 C ATOM 1800 C PRO B 57 14.065 -5.319 -18.297 1.00 0.00 C ATOM 1801 O PRO B 57 13.366 -6.155 -17.715 1.00 0.00 O ATOM 1802 CB PRO B 57 15.800 -3.924 -17.089 1.00 0.00 C ATOM 1803 CG PRO B 57 15.666 -3.705 -15.613 1.00 0.00 C ATOM 1804 CD PRO B 57 14.252 -4.121 -15.261 1.00 0.00 C ATOM 0 HA PRO B 57 14.205 -3.230 -18.435 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.330 -4.854 -17.297 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.373 -3.120 -17.551 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.397 -4.297 -15.062 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.842 -2.661 -15.355 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.181 -5.188 -15.051 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.879 -3.597 -14.381 1.00 0.00 H new ATOM 1812 N LYS B 58 14.588 -5.510 -19.496 1.00 0.00 N ATOM 1813 CA LYS B 58 14.379 -6.746 -20.242 1.00 0.00 C ATOM 1814 C LYS B 58 15.658 -7.151 -20.979 1.00 0.00 C ATOM 1815 O LYS B 58 16.271 -6.286 -21.587 1.00 0.00 O ATOM 1816 CB LYS B 58 13.238 -6.551 -21.242 1.00 0.00 C ATOM 1817 CG LYS B 58 11.913 -7.087 -20.665 1.00 0.00 C ATOM 1818 CD LYS B 58 11.088 -5.928 -20.081 1.00 0.00 C ATOM 1819 CE LYS B 58 9.976 -6.476 -19.177 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.467 -6.552 -17.771 1.00 0.00 N ATOM 1821 OXT LYS B 58 16.006 -8.319 -20.925 1.00 0.00 O ATOM 0 H LYS B 58 15.165 -4.821 -19.979 1.00 0.00 H new ATOM 0 HA LYS B 58 14.118 -7.541 -19.544 1.00 0.00 H new ATOM 0 HB2 LYS B 58 13.135 -5.493 -21.482 1.00 0.00 H new ATOM 0 HB3 LYS B 58 13.471 -7.068 -22.173 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.344 -7.592 -21.446 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.117 -7.826 -19.890 1.00 0.00 H new ATOM 0 HD2 LYS B 58 11.735 -5.261 -19.511 1.00 0.00 H new ATOM 0 HD3 LYS B 58 10.654 -5.338 -20.888 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.098 -5.832 -19.232 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.669 -7.464 -19.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.267 -7.496 -17.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.492 -6.380 -17.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 9.984 -5.833 -17.195 1.00 0.00 H new TER 1835 LYS B 58