USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN : amide:sc= -1.14 K(o=-7.5,f=-5.8) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.33! C(o=-7.5!,f=-13!) USER MOD Set 2.1: B 26 GLN : amide:sc= -9.16! C(o=-16!,f=-3.5!) USER MOD Set 2.2: B 55 GLN : amide:sc= -7.18! K(o=-16!,f=-3.5) USER MOD Set 3.1: B 23 ASN : amide:sc= -7.76! C(o=-8.2!,f=-16!) USER MOD Set 3.2: B 24 SER OG : rot 180:sc= -0.431 USER MOD Set 4.1: A 23 ASN : amide:sc= -0.403 K(o=-8.8,f=-16!) USER MOD Set 4.2: A 26 GLN : amide:sc= -3.86! C(o=-8.8!,f=-23!) USER MOD Set 4.3: A 55 GLN : amide:sc= -4.52! K(o=-8.8!,f=-5.7) USER MOD Set 5.1: A 21 ASN : amide:sc= -3.3! K(o=-13!,f=-7.2) USER MOD Set 5.2: A 52 ASN : amide:sc= -9.44! C(o=-13!,f=-6.2!) USER MOD Set 6.1: A 13 THR OG1 : rot 120:sc= -3.34! USER MOD Set 6.2: B 17 MET CE :methyl -123:sc= -12! (180deg=-12.3!) USER MOD Single : A 1 VAL N :NH3+ 165:sc= -0.103 (180deg=-0.575) USER MOD Single : A 3 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.58 K(o=-2.6,f=-9.6!) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0.921 (180deg=0.893) USER MOD Single : A 18 ASN : amide:sc= -6.3! K(o=-6.3!,f=-3) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.456 (180deg=-1.57) USER MOD Single : A 33 SER OG : rot 73:sc= 1.11 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.48 K(o=-1.5,f=0) USER MOD Single : A 41 SER OG : rot -150:sc= -8.29! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.085) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 2.19 (180deg=-0.778) USER MOD Single : B 1 VAL N :NH3+ -106:sc= -0.686 (180deg=-0.966) USER MOD Single : B 3 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.7) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.5!) USER MOD Single : B 7 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.13) USER MOD Single : B 32 ASN : amide:sc= -0.0017 K(o=-0.0017,f=-1.6) USER MOD Single : B 33 SER OG : rot 70:sc= 0.524 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -3.23 K(o=-3.2,f=-0.71) USER MOD Single : B 41 SER OG : rot 180:sc= -1.36 USER MOD Single : B 43 ASN : amide:sc= -0.669 K(o=-0.67,f=-0.029) USER MOD Single : B 49 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.25) USER MOD Single : B 50 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.11) USER MOD Single : B 58 LYS NZ :NH3+ -148:sc= 1.88 (180deg=0.653) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.545 -18.455 3.842 1.00 0.00 N ATOM 2 CA VAL A 1 7.001 -17.337 4.718 1.00 0.00 C ATOM 3 C VAL A 1 5.887 -16.286 4.818 1.00 0.00 C ATOM 4 O VAL A 1 5.261 -15.929 3.818 1.00 0.00 O ATOM 5 CB VAL A 1 8.298 -16.732 4.138 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.106 -16.351 2.662 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.707 -15.490 4.946 1.00 0.00 C ATOM 0 H1 VAL A 1 7.363 -19.034 3.564 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.862 -19.045 4.359 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.091 -18.066 2.991 1.00 0.00 H new ATOM 0 HA VAL A 1 7.215 -17.703 5.722 1.00 0.00 H new ATOM 0 HB VAL A 1 9.087 -17.482 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.031 -15.927 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.844 -17.240 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.306 -15.616 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.623 -15.070 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.912 -14.746 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.877 -15.772 5.985 1.00 0.00 H new ATOM 19 N ASP A 2 5.638 -15.815 6.042 1.00 0.00 N ATOM 20 CA ASP A 2 4.593 -14.819 6.293 1.00 0.00 C ATOM 21 C ASP A 2 4.903 -13.475 5.630 1.00 0.00 C ATOM 22 O ASP A 2 3.991 -12.789 5.164 1.00 0.00 O ATOM 23 CB ASP A 2 4.430 -14.603 7.804 1.00 0.00 C ATOM 24 CG ASP A 2 3.300 -13.604 8.075 1.00 0.00 C ATOM 25 OD1 ASP A 2 2.162 -14.033 8.159 1.00 0.00 O ATOM 26 OD2 ASP A 2 3.592 -12.421 8.182 1.00 0.00 O ATOM 0 H ASP A 2 6.147 -16.108 6.876 1.00 0.00 H new ATOM 0 HA ASP A 2 3.670 -15.206 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.212 -15.552 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.363 -14.233 8.229 1.00 0.00 H new ATOM 31 N ASN A 3 6.186 -13.090 5.628 1.00 0.00 N ATOM 32 CA ASN A 3 6.601 -11.802 5.061 1.00 0.00 C ATOM 33 C ASN A 3 5.906 -10.675 5.829 1.00 0.00 C ATOM 34 O ASN A 3 5.202 -9.851 5.249 1.00 0.00 O ATOM 35 CB ASN A 3 6.258 -11.717 3.560 1.00 0.00 C ATOM 36 CG ASN A 3 6.807 -12.928 2.815 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.049 -13.664 2.185 1.00 0.00 O ATOM 38 ND2 ASN A 3 8.087 -13.174 2.842 1.00 0.00 N ATOM 0 H ASN A 3 6.949 -13.648 6.010 1.00 0.00 H new ATOM 0 HA ASN A 3 7.682 -11.705 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.177 -11.663 3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.675 -10.803 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.462 -13.979 2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.713 -12.562 3.365 1.00 0.00 H new ATOM 45 N LYS A 4 6.088 -10.683 7.152 1.00 0.00 N ATOM 46 CA LYS A 4 5.455 -9.695 8.028 1.00 0.00 C ATOM 47 C LYS A 4 5.745 -8.263 7.575 1.00 0.00 C ATOM 48 O LYS A 4 4.844 -7.428 7.573 1.00 0.00 O ATOM 49 CB LYS A 4 5.948 -9.893 9.467 1.00 0.00 C ATOM 50 CG LYS A 4 5.149 -8.991 10.418 1.00 0.00 C ATOM 51 CD LYS A 4 5.655 -9.173 11.854 1.00 0.00 C ATOM 52 CE LYS A 4 4.774 -8.364 12.810 1.00 0.00 C ATOM 53 NZ LYS A 4 5.289 -8.507 14.201 1.00 0.00 N ATOM 0 H LYS A 4 6.670 -11.364 7.640 1.00 0.00 H new ATOM 0 HA LYS A 4 4.377 -9.846 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.835 -10.937 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.010 -9.657 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.251 -7.949 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.089 -9.237 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.634 -10.228 12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.691 -8.844 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.771 -7.314 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.743 -8.713 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.691 -7.958 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.270 -9.510 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.266 -8.154 14.247 1.00 0.00 H new ATOM 67 N PHE A 5 6.991 -7.982 7.187 1.00 0.00 N ATOM 68 CA PHE A 5 7.347 -6.642 6.734 1.00 0.00 C ATOM 69 C PHE A 5 6.583 -6.299 5.457 1.00 0.00 C ATOM 70 O PHE A 5 6.104 -5.186 5.308 1.00 0.00 O ATOM 71 CB PHE A 5 8.862 -6.517 6.513 1.00 0.00 C ATOM 72 CG PHE A 5 9.268 -7.148 5.195 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.397 -8.540 5.095 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.517 -6.339 4.072 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.774 -9.123 3.882 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.893 -6.926 2.864 1.00 0.00 C ATOM 77 CZ PHE A 5 10.023 -8.317 2.766 1.00 0.00 C ATOM 0 H PHE A 5 7.757 -8.655 7.178 1.00 0.00 H new ATOM 0 HA PHE A 5 7.066 -5.931 7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.150 -5.466 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.395 -7.000 7.332 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.205 -9.163 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.417 -5.266 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.873 -10.196 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.085 -6.306 2.001 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.315 -8.767 1.829 1.00 0.00 H new ATOM 87 N ASN A 6 6.455 -7.279 4.553 1.00 0.00 N ATOM 88 CA ASN A 6 5.715 -7.085 3.310 1.00 0.00 C ATOM 89 C ASN A 6 4.244 -6.903 3.634 1.00 0.00 C ATOM 90 O ASN A 6 3.580 -6.012 3.117 1.00 0.00 O ATOM 91 CB ASN A 6 5.875 -8.319 2.425 1.00 0.00 C ATOM 92 CG ASN A 6 5.262 -8.095 1.046 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.685 -7.216 0.313 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.281 -8.853 0.648 1.00 0.00 N ATOM 0 H ASN A 6 6.855 -8.211 4.663 1.00 0.00 H new ATOM 0 HA ASN A 6 6.098 -6.207 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.933 -8.559 2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.399 -9.176 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.869 -8.711 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.925 -9.589 1.258 1.00 0.00 H new ATOM 101 N LYS A 7 3.765 -7.762 4.527 1.00 0.00 N ATOM 102 CA LYS A 7 2.390 -7.731 4.968 1.00 0.00 C ATOM 103 C LYS A 7 2.120 -6.371 5.592 1.00 0.00 C ATOM 104 O LYS A 7 1.105 -5.735 5.328 1.00 0.00 O ATOM 105 CB LYS A 7 2.181 -8.864 5.991 1.00 0.00 C ATOM 106 CG LYS A 7 0.691 -9.188 6.140 1.00 0.00 C ATOM 107 CD LYS A 7 0.513 -10.550 6.831 1.00 0.00 C ATOM 108 CE LYS A 7 0.233 -11.632 5.783 1.00 0.00 C ATOM 109 NZ LYS A 7 0.131 -12.958 6.455 1.00 0.00 N ATOM 0 H LYS A 7 4.325 -8.496 4.961 1.00 0.00 H new ATOM 0 HA LYS A 7 1.700 -7.880 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.722 -9.754 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.593 -8.570 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.198 -8.409 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.214 -9.204 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.411 -10.802 7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.309 -10.501 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.693 -11.409 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.030 -11.649 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.043 -13.705 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.985 -13.125 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.706 -12.971 7.073 1.00 0.00 H new ATOM 123 N GLU A 8 3.070 -5.924 6.405 1.00 0.00 N ATOM 124 CA GLU A 8 2.963 -4.629 7.058 1.00 0.00 C ATOM 125 C GLU A 8 3.186 -3.487 6.074 1.00 0.00 C ATOM 126 O GLU A 8 2.508 -2.468 6.130 1.00 0.00 O ATOM 127 CB GLU A 8 3.957 -4.542 8.220 1.00 0.00 C ATOM 128 CG GLU A 8 3.900 -3.152 8.880 1.00 0.00 C ATOM 129 CD GLU A 8 5.041 -2.994 9.883 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.966 -3.600 10.941 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.976 -2.268 9.579 1.00 0.00 O ATOM 0 H GLU A 8 3.921 -6.440 6.626 1.00 0.00 H new ATOM 0 HA GLU A 8 1.951 -4.531 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.729 -5.311 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.966 -4.737 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.968 -2.377 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.943 -3.020 9.384 1.00 0.00 H new ATOM 138 N LEU A 9 4.121 -3.685 5.157 1.00 0.00 N ATOM 139 CA LEU A 9 4.418 -2.685 4.131 1.00 0.00 C ATOM 140 C LEU A 9 3.148 -2.438 3.360 1.00 0.00 C ATOM 141 O LEU A 9 2.816 -1.303 3.036 1.00 0.00 O ATOM 142 CB LEU A 9 5.533 -3.206 3.210 1.00 0.00 C ATOM 143 CG LEU A 9 5.698 -2.295 1.981 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.487 -1.027 2.301 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.440 -3.046 0.904 1.00 0.00 C ATOM 0 H LEU A 9 4.690 -4.529 5.099 1.00 0.00 H new ATOM 0 HA LEU A 9 4.766 -1.753 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.472 -3.255 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.300 -4.221 2.887 1.00 0.00 H new ATOM 0 HG LEU A 9 4.699 -2.007 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.576 -0.417 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.967 -0.460 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.481 -1.297 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.560 -2.405 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.422 -3.340 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.876 -3.936 0.626 1.00 0.00 H new ATOM 157 N GLY A 10 2.414 -3.505 3.118 1.00 0.00 N ATOM 158 CA GLY A 10 1.168 -3.391 2.442 1.00 0.00 C ATOM 159 C GLY A 10 0.112 -2.823 3.369 1.00 0.00 C ATOM 160 O GLY A 10 -0.710 -2.003 2.971 1.00 0.00 O ATOM 0 H GLY A 10 2.672 -4.455 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.278 -2.747 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.854 -4.369 2.079 1.00 0.00 H new ATOM 164 N TRP A 11 0.101 -3.302 4.603 1.00 0.00 N ATOM 165 CA TRP A 11 -0.906 -2.849 5.534 1.00 0.00 C ATOM 166 C TRP A 11 -0.753 -1.429 5.979 1.00 0.00 C ATOM 167 O TRP A 11 -1.716 -0.668 5.915 1.00 0.00 O ATOM 168 CB TRP A 11 -1.063 -3.781 6.719 1.00 0.00 C ATOM 169 CG TRP A 11 -2.529 -3.841 7.059 1.00 0.00 C ATOM 170 CD1 TRP A 11 -3.012 -3.934 8.303 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.708 -3.787 6.165 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.395 -3.972 8.249 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.865 -3.876 6.956 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.885 -3.679 4.760 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.140 -3.856 6.391 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.150 -3.656 4.190 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.287 -3.743 5.002 1.00 0.00 C ATOM 0 H TRP A 11 0.762 -3.986 4.971 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.830 -2.877 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.685 -4.774 6.478 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.487 -3.419 7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.419 -3.973 9.205 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.995 -4.061 9.069 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.016 -3.613 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.013 -3.928 7.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.257 -3.571 3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.272 -3.723 4.560 1.00 0.00 H new ATOM 188 N ALA A 12 0.418 -1.054 6.429 1.00 0.00 N ATOM 189 CA ALA A 12 0.599 0.302 6.865 1.00 0.00 C ATOM 190 C ALA A 12 0.252 1.233 5.698 1.00 0.00 C ATOM 191 O ALA A 12 -0.382 2.262 5.890 1.00 0.00 O ATOM 192 CB ALA A 12 2.020 0.505 7.372 1.00 0.00 C ATOM 0 H ALA A 12 1.240 -1.654 6.501 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.063 0.534 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.145 1.537 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.207 -0.167 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.727 0.291 6.570 1.00 0.00 H new ATOM 198 N THR A 13 0.593 0.800 4.472 1.00 0.00 N ATOM 199 CA THR A 13 0.240 1.543 3.263 1.00 0.00 C ATOM 200 C THR A 13 -1.266 1.751 3.225 1.00 0.00 C ATOM 201 O THR A 13 -1.737 2.858 2.987 1.00 0.00 O ATOM 202 CB THR A 13 0.699 0.731 2.053 1.00 0.00 C ATOM 203 OG1 THR A 13 2.092 0.886 1.913 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.002 1.195 0.779 1.00 0.00 C ATOM 0 H THR A 13 1.112 -0.061 4.298 1.00 0.00 H new ATOM 0 HA THR A 13 0.725 2.519 3.252 1.00 0.00 H new ATOM 0 HB THR A 13 0.445 -0.317 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.527 0.011 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.345 0.599 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.079 1.073 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.227 2.245 0.600 1.00 0.00 H new ATOM 212 N TRP A 14 -1.999 0.673 3.490 1.00 0.00 N ATOM 213 CA TRP A 14 -3.457 0.707 3.512 1.00 0.00 C ATOM 214 C TRP A 14 -3.980 1.572 4.649 1.00 0.00 C ATOM 215 O TRP A 14 -4.890 2.368 4.465 1.00 0.00 O ATOM 216 CB TRP A 14 -3.972 -0.705 3.727 1.00 0.00 C ATOM 217 CG TRP A 14 -5.449 -0.758 3.539 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.362 -0.743 4.538 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.198 -0.860 2.303 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.622 -0.863 3.991 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.572 -0.936 2.618 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.825 -0.904 0.950 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.530 -1.061 1.624 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.782 -1.028 -0.035 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.124 -1.110 0.295 1.00 0.00 C ATOM 0 H TRP A 14 -1.601 -0.244 3.694 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.800 1.124 2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.486 -1.386 3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.715 -1.043 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.140 -0.652 5.591 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.484 -0.894 4.536 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.782 -0.840 0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.578 -1.120 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.482 -1.061 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.862 -1.213 -0.487 1.00 0.00 H new ATOM 236 N GLU A 15 -3.407 1.383 5.829 1.00 0.00 N ATOM 237 CA GLU A 15 -3.828 2.126 7.007 1.00 0.00 C ATOM 238 C GLU A 15 -3.631 3.623 6.770 1.00 0.00 C ATOM 239 O GLU A 15 -4.476 4.438 7.146 1.00 0.00 O ATOM 240 CB GLU A 15 -3.036 1.617 8.213 1.00 0.00 C ATOM 241 CG GLU A 15 -3.407 0.140 8.470 1.00 0.00 C ATOM 242 CD GLU A 15 -2.442 -0.480 9.480 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.657 -0.298 10.666 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.504 -1.133 9.049 1.00 0.00 O ATOM 0 H GLU A 15 -2.649 0.721 5.996 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.888 1.972 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.966 1.710 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.260 2.220 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.428 0.074 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.374 -0.419 7.535 1.00 0.00 H new ATOM 251 N ILE A 16 -2.544 3.961 6.073 1.00 0.00 N ATOM 252 CA ILE A 16 -2.266 5.349 5.698 1.00 0.00 C ATOM 253 C ILE A 16 -3.277 5.765 4.623 1.00 0.00 C ATOM 254 O ILE A 16 -3.776 6.890 4.607 1.00 0.00 O ATOM 255 CB ILE A 16 -0.832 5.450 5.131 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.199 5.109 6.217 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.560 6.865 4.617 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.586 4.886 5.589 1.00 0.00 C ATOM 0 H ILE A 16 -1.842 3.292 5.757 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.350 6.003 6.566 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.744 4.740 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.249 5.917 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.112 4.213 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.454 6.920 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.271 7.108 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.669 7.577 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.305 4.645 6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.535 4.062 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.902 5.793 5.073 1.00 0.00 H new ATOM 270 N PHE A 17 -3.567 4.808 3.738 1.00 0.00 N ATOM 271 CA PHE A 17 -4.519 4.984 2.639 1.00 0.00 C ATOM 272 C PHE A 17 -5.924 5.239 3.191 1.00 0.00 C ATOM 273 O PHE A 17 -6.715 5.981 2.605 1.00 0.00 O ATOM 274 CB PHE A 17 -4.534 3.684 1.820 1.00 0.00 C ATOM 275 CG PHE A 17 -4.806 3.929 0.356 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.739 4.155 -0.525 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.114 3.870 -0.130 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.984 4.327 -1.886 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.361 4.033 -1.494 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.295 4.261 -2.373 1.00 0.00 C ATOM 0 H PHE A 17 -3.143 3.880 3.765 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.224 5.834 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.575 3.178 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.295 3.014 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.727 4.196 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.935 3.698 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.164 4.511 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.372 3.983 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.485 4.386 -3.429 1.00 0.00 H new ATOM 290 N ASN A 18 -6.222 4.575 4.311 1.00 0.00 N ATOM 291 CA ASN A 18 -7.529 4.668 4.959 1.00 0.00 C ATOM 292 C ASN A 18 -7.600 5.800 5.986 1.00 0.00 C ATOM 293 O ASN A 18 -8.617 5.935 6.673 1.00 0.00 O ATOM 294 CB ASN A 18 -7.846 3.334 5.657 1.00 0.00 C ATOM 295 CG ASN A 18 -8.133 2.237 4.630 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.128 1.523 4.748 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.318 2.054 3.632 1.00 0.00 N ATOM 0 H ASN A 18 -5.565 3.960 4.791 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.261 4.886 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.006 3.039 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.707 3.458 6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.505 1.320 2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.493 2.645 3.533 1.00 0.00 H new ATOM 304 N LEU A 19 -6.547 6.619 6.102 1.00 0.00 N ATOM 305 CA LEU A 19 -6.587 7.711 7.072 1.00 0.00 C ATOM 306 C LEU A 19 -7.587 8.772 6.606 1.00 0.00 C ATOM 307 O LEU A 19 -7.651 9.078 5.414 1.00 0.00 O ATOM 308 CB LEU A 19 -5.206 8.339 7.276 1.00 0.00 C ATOM 309 CG LEU A 19 -4.523 7.721 8.509 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.142 8.311 8.639 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.291 8.051 9.789 1.00 0.00 C ATOM 0 H LEU A 19 -5.688 6.549 5.556 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.904 7.302 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.590 8.179 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.303 9.417 7.406 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.491 6.639 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.644 7.883 9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.564 8.086 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.218 9.392 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.785 7.601 10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.332 9.132 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.304 7.655 9.718 1.00 0.00 H new ATOM 323 N PRO A 20 -8.393 9.307 7.500 1.00 0.00 N ATOM 324 CA PRO A 20 -9.440 10.311 7.158 1.00 0.00 C ATOM 325 C PRO A 20 -8.937 11.757 7.107 1.00 0.00 C ATOM 326 O PRO A 20 -9.761 12.676 7.149 1.00 0.00 O ATOM 327 CB PRO A 20 -10.461 10.154 8.311 1.00 0.00 C ATOM 328 CG PRO A 20 -9.922 9.091 9.215 1.00 0.00 C ATOM 329 CD PRO A 20 -8.432 9.042 8.939 1.00 0.00 C ATOM 0 HA PRO A 20 -9.835 10.132 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.586 11.094 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.441 9.875 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.120 9.327 10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.391 8.128 9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.884 9.792 9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.000 8.073 9.190 1.00 0.00 H new ATOM 337 N ASN A 21 -7.614 11.991 7.047 1.00 0.00 N ATOM 338 CA ASN A 21 -7.141 13.387 7.035 1.00 0.00 C ATOM 339 C ASN A 21 -5.902 13.617 6.168 1.00 0.00 C ATOM 340 O ASN A 21 -5.422 14.748 6.074 1.00 0.00 O ATOM 341 CB ASN A 21 -6.862 13.831 8.474 1.00 0.00 C ATOM 342 CG ASN A 21 -8.173 14.066 9.218 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.846 15.071 8.990 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.584 13.191 10.094 1.00 0.00 N ATOM 0 H ASN A 21 -6.888 11.276 7.008 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.933 13.985 6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.275 13.071 8.989 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.268 14.745 8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.463 13.340 10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.026 12.358 10.283 1.00 0.00 H new ATOM 351 N LEU A 22 -5.391 12.570 5.529 1.00 0.00 N ATOM 352 CA LEU A 22 -4.211 12.717 4.673 1.00 0.00 C ATOM 353 C LEU A 22 -4.600 13.048 3.243 1.00 0.00 C ATOM 354 O LEU A 22 -5.645 12.606 2.759 1.00 0.00 O ATOM 355 CB LEU A 22 -3.394 11.429 4.680 1.00 0.00 C ATOM 356 CG LEU A 22 -2.945 11.116 6.107 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.175 9.810 6.116 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.027 12.220 6.626 1.00 0.00 C ATOM 0 H LEU A 22 -5.766 11.623 5.583 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.616 13.539 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.990 10.606 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.526 11.533 4.029 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.827 11.044 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.853 9.584 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.816 9.007 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.301 9.898 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.714 11.985 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.149 12.295 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.562 13.170 6.621 1.00 0.00 H new ATOM 370 N ASN A 23 -3.737 13.807 2.563 1.00 0.00 N ATOM 371 CA ASN A 23 -3.986 14.169 1.173 1.00 0.00 C ATOM 372 C ASN A 23 -3.254 13.190 0.260 1.00 0.00 C ATOM 373 O ASN A 23 -2.439 12.388 0.727 1.00 0.00 O ATOM 374 CB ASN A 23 -3.554 15.624 0.896 1.00 0.00 C ATOM 375 CG ASN A 23 -2.033 15.772 0.858 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.310 15.014 1.495 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.503 16.721 0.138 1.00 0.00 N ATOM 0 H ASN A 23 -2.869 14.178 2.951 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.055 14.108 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.974 15.952 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.963 16.277 1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.489 16.831 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.102 17.353 -0.393 1.00 0.00 H new ATOM 384 N GLY A 24 -3.565 13.242 -1.031 1.00 0.00 N ATOM 385 CA GLY A 24 -2.953 12.337 -2.002 1.00 0.00 C ATOM 386 C GLY A 24 -1.430 12.309 -1.886 1.00 0.00 C ATOM 387 O GLY A 24 -0.817 11.256 -2.043 1.00 0.00 O ATOM 0 H GLY A 24 -4.235 13.899 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.345 11.331 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.233 12.645 -3.009 1.00 0.00 H new ATOM 391 N VAL A 25 -0.824 13.466 -1.613 1.00 0.00 N ATOM 392 CA VAL A 25 0.630 13.549 -1.495 1.00 0.00 C ATOM 393 C VAL A 25 1.141 12.848 -0.246 1.00 0.00 C ATOM 394 O VAL A 25 2.075 12.061 -0.337 1.00 0.00 O ATOM 395 CB VAL A 25 1.074 15.009 -1.507 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.586 15.091 -1.255 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.758 15.594 -2.886 1.00 0.00 C ATOM 0 H VAL A 25 -1.313 14.350 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 25 1.061 13.035 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 25 0.553 15.566 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.900 16.135 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.818 14.651 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.115 14.546 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.067 16.639 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.295 15.033 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.314 15.527 -3.073 1.00 0.00 H new ATOM 407 N GLN A 26 0.544 13.127 0.916 1.00 0.00 N ATOM 408 CA GLN A 26 0.987 12.488 2.142 1.00 0.00 C ATOM 409 C GLN A 26 0.921 10.984 2.020 1.00 0.00 C ATOM 410 O GLN A 26 1.879 10.291 2.349 1.00 0.00 O ATOM 411 CB GLN A 26 0.109 12.939 3.294 1.00 0.00 C ATOM 412 CG GLN A 26 0.705 14.212 3.881 1.00 0.00 C ATOM 413 CD GLN A 26 -0.374 15.076 4.495 1.00 0.00 C ATOM 414 OE1 GLN A 26 -1.557 14.957 4.173 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.020 15.951 5.364 1.00 0.00 N ATOM 0 H GLN A 26 -0.232 13.779 1.026 1.00 0.00 H new ATOM 0 HA GLN A 26 2.022 12.776 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.908 13.121 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.052 12.161 4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.447 13.956 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.224 14.769 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.962 16.043 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.720 16.555 5.794 1.00 0.00 H new ATOM 424 N VAL A 27 -0.204 10.488 1.525 1.00 0.00 N ATOM 425 CA VAL A 27 -0.366 9.049 1.360 1.00 0.00 C ATOM 426 C VAL A 27 0.675 8.518 0.378 1.00 0.00 C ATOM 427 O VAL A 27 1.330 7.511 0.643 1.00 0.00 O ATOM 428 CB VAL A 27 -1.781 8.709 0.876 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.925 7.187 0.795 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.818 9.264 1.864 1.00 0.00 C ATOM 0 H VAL A 27 -1.006 11.048 1.235 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.218 8.571 2.328 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.947 9.154 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.928 6.934 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.191 6.789 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.759 6.753 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.821 9.019 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.658 8.821 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.712 10.347 1.933 1.00 0.00 H new ATOM 440 N LYS A 28 0.839 9.228 -0.738 1.00 0.00 N ATOM 441 CA LYS A 28 1.827 8.850 -1.747 1.00 0.00 C ATOM 442 C LYS A 28 3.237 8.912 -1.160 1.00 0.00 C ATOM 443 O LYS A 28 4.093 8.105 -1.509 1.00 0.00 O ATOM 444 CB LYS A 28 1.725 9.775 -2.977 1.00 0.00 C ATOM 445 CG LYS A 28 0.515 9.377 -3.839 1.00 0.00 C ATOM 446 CD LYS A 28 0.234 10.472 -4.882 1.00 0.00 C ATOM 447 CE LYS A 28 1.341 10.486 -5.941 1.00 0.00 C ATOM 448 NZ LYS A 28 0.980 11.445 -7.024 1.00 0.00 N ATOM 0 H LYS A 28 0.302 10.065 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 28 1.622 7.827 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.627 10.812 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.639 9.710 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.709 8.428 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.361 9.231 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.731 10.295 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.175 11.444 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.290 10.773 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.476 9.487 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.447 11.161 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.051 11.443 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.292 12.401 -6.759 1.00 0.00 H new ATOM 462 N ALA A 29 3.456 9.880 -0.272 1.00 0.00 N ATOM 463 CA ALA A 29 4.745 10.071 0.373 1.00 0.00 C ATOM 464 C ALA A 29 5.014 8.971 1.361 1.00 0.00 C ATOM 465 O ALA A 29 6.113 8.425 1.406 1.00 0.00 O ATOM 466 CB ALA A 29 4.761 11.396 1.115 1.00 0.00 C ATOM 0 H ALA A 29 2.744 10.550 0.017 1.00 0.00 H new ATOM 0 HA ALA A 29 5.513 10.061 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.730 11.532 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.588 12.210 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.977 11.399 1.872 1.00 0.00 H new ATOM 472 N PHE A 30 3.994 8.635 2.138 1.00 0.00 N ATOM 473 CA PHE A 30 4.116 7.586 3.099 1.00 0.00 C ATOM 474 C PHE A 30 4.343 6.304 2.335 1.00 0.00 C ATOM 475 O PHE A 30 5.175 5.485 2.718 1.00 0.00 O ATOM 476 CB PHE A 30 2.865 7.505 3.964 1.00 0.00 C ATOM 477 CG PHE A 30 2.703 8.776 4.788 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.802 9.317 5.486 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.452 9.425 4.856 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.644 10.480 6.235 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.313 10.584 5.609 1.00 0.00 C ATOM 482 CZ PHE A 30 2.404 11.109 6.296 1.00 0.00 C ATOM 0 H PHE A 30 3.078 9.083 2.110 1.00 0.00 H new ATOM 0 HA PHE A 30 4.951 7.771 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.988 7.359 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.929 6.641 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.765 8.830 5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.604 9.021 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.486 10.895 6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.355 11.080 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.287 12.010 6.880 1.00 0.00 H new ATOM 492 N ILE A 31 3.640 6.181 1.199 1.00 0.00 N ATOM 493 CA ILE A 31 3.816 5.033 0.337 1.00 0.00 C ATOM 494 C ILE A 31 5.239 5.035 -0.189 1.00 0.00 C ATOM 495 O ILE A 31 5.917 4.034 -0.150 1.00 0.00 O ATOM 496 CB ILE A 31 2.796 5.041 -0.829 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.445 4.493 -0.313 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.308 4.175 -2.007 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.360 4.611 -1.389 1.00 0.00 C ATOM 0 H ILE A 31 2.955 6.861 0.870 1.00 0.00 H new ATOM 0 HA ILE A 31 3.636 4.123 0.909 1.00 0.00 H new ATOM 0 HB ILE A 31 2.668 6.061 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.560 3.450 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.141 5.043 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.578 4.193 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.257 4.573 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.450 3.148 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.581 4.219 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.231 5.658 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.656 4.040 -2.269 1.00 0.00 H new ATOM 511 N ASP A 32 5.690 6.178 -0.659 1.00 0.00 N ATOM 512 CA ASP A 32 7.045 6.281 -1.184 1.00 0.00 C ATOM 513 C ASP A 32 8.078 5.955 -0.114 1.00 0.00 C ATOM 514 O ASP A 32 9.060 5.262 -0.377 1.00 0.00 O ATOM 515 CB ASP A 32 7.283 7.687 -1.759 1.00 0.00 C ATOM 516 CG ASP A 32 6.694 7.800 -3.167 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.983 6.937 -3.985 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.977 8.756 -3.415 1.00 0.00 O ATOM 0 H ASP A 32 5.150 7.043 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 32 7.158 5.550 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.829 8.434 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.352 7.898 -1.788 1.00 0.00 H new ATOM 523 N SER A 33 7.827 6.433 1.092 1.00 0.00 N ATOM 524 CA SER A 33 8.711 6.167 2.222 1.00 0.00 C ATOM 525 C SER A 33 8.681 4.672 2.532 1.00 0.00 C ATOM 526 O SER A 33 9.701 4.057 2.827 1.00 0.00 O ATOM 527 CB SER A 33 8.250 6.978 3.428 1.00 0.00 C ATOM 528 OG SER A 33 8.290 8.362 3.107 1.00 0.00 O ATOM 0 H SER A 33 7.017 7.010 1.318 1.00 0.00 H new ATOM 0 HA SER A 33 9.733 6.459 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.238 6.688 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.891 6.773 4.285 1.00 0.00 H new ATOM 0 HG SER A 33 7.552 8.578 2.499 1.00 0.00 H new ATOM 534 N LEU A 34 7.484 4.109 2.398 1.00 0.00 N ATOM 535 CA LEU A 34 7.232 2.679 2.580 1.00 0.00 C ATOM 536 C LEU A 34 8.051 1.900 1.557 1.00 0.00 C ATOM 537 O LEU A 34 8.802 0.987 1.893 1.00 0.00 O ATOM 538 CB LEU A 34 5.736 2.463 2.328 1.00 0.00 C ATOM 539 CG LEU A 34 4.969 2.290 3.633 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.713 3.162 3.645 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.561 0.839 3.756 1.00 0.00 C ATOM 0 H LEU A 34 6.647 4.640 2.156 1.00 0.00 H new ATOM 0 HA LEU A 34 7.510 2.341 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.332 3.313 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.595 1.582 1.702 1.00 0.00 H new ATOM 0 HG LEU A 34 5.606 2.589 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.182 3.022 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.996 4.209 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.064 2.877 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.010 0.694 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.928 0.566 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.451 0.210 3.760 1.00 0.00 H new ATOM 553 N ARG A 35 7.901 2.310 0.309 1.00 0.00 N ATOM 554 CA ARG A 35 8.619 1.710 -0.816 1.00 0.00 C ATOM 555 C ARG A 35 10.129 1.827 -0.611 1.00 0.00 C ATOM 556 O ARG A 35 10.875 0.870 -0.826 1.00 0.00 O ATOM 557 CB ARG A 35 8.236 2.455 -2.097 1.00 0.00 C ATOM 558 CG ARG A 35 6.751 2.257 -2.384 1.00 0.00 C ATOM 559 CD ARG A 35 6.314 3.149 -3.546 1.00 0.00 C ATOM 560 NE ARG A 35 6.902 2.681 -4.788 1.00 0.00 N ATOM 561 CZ ARG A 35 6.555 1.525 -5.338 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.703 0.740 -4.739 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.063 1.187 -6.482 1.00 0.00 N ATOM 0 H ARG A 35 7.277 3.071 0.041 1.00 0.00 H new ATOM 0 HA ARG A 35 8.351 0.656 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.457 3.517 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.830 2.088 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.556 1.212 -2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.167 2.494 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.227 3.147 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.617 4.179 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 35 7.603 3.259 -5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.300 1.014 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.440 -0.148 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.723 1.808 -6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.803 0.300 -6.914 1.00 0.00 H new ATOM 577 N ASP A 36 10.555 3.016 -0.185 1.00 0.00 N ATOM 578 CA ASP A 36 11.966 3.296 0.067 1.00 0.00 C ATOM 579 C ASP A 36 12.465 2.498 1.263 1.00 0.00 C ATOM 580 O ASP A 36 13.591 1.993 1.265 1.00 0.00 O ATOM 581 CB ASP A 36 12.150 4.786 0.333 1.00 0.00 C ATOM 582 CG ASP A 36 13.636 5.131 0.425 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.236 5.363 -0.612 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.153 5.154 1.531 1.00 0.00 O ATOM 0 H ASP A 36 9.936 3.806 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 36 12.543 3.005 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.685 5.365 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.648 5.061 1.261 1.00 0.00 H new ATOM 589 N ASP A 37 11.608 2.396 2.274 1.00 0.00 N ATOM 590 CA ASP A 37 11.933 1.667 3.491 1.00 0.00 C ATOM 591 C ASP A 37 10.691 0.973 4.031 1.00 0.00 C ATOM 592 O ASP A 37 9.885 1.576 4.748 1.00 0.00 O ATOM 593 CB ASP A 37 12.518 2.620 4.547 1.00 0.00 C ATOM 594 CG ASP A 37 13.215 1.832 5.664 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.639 0.863 6.141 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.311 2.214 6.033 1.00 0.00 O ATOM 0 H ASP A 37 10.677 2.813 2.272 1.00 0.00 H new ATOM 0 HA ASP A 37 12.683 0.911 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.229 3.299 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.723 3.234 4.970 1.00 0.00 H new ATOM 601 N PRO A 38 10.522 -0.279 3.692 1.00 0.00 N ATOM 602 CA PRO A 38 9.356 -1.073 4.140 1.00 0.00 C ATOM 603 C PRO A 38 9.386 -1.384 5.629 1.00 0.00 C ATOM 604 O PRO A 38 8.342 -1.471 6.271 1.00 0.00 O ATOM 605 CB PRO A 38 9.410 -2.349 3.311 1.00 0.00 C ATOM 606 CG PRO A 38 10.590 -2.255 2.397 1.00 0.00 C ATOM 607 CD PRO A 38 11.430 -1.069 2.846 1.00 0.00 C ATOM 0 HA PRO A 38 8.430 -0.517 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.498 -3.221 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.491 -2.470 2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.176 -3.174 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.265 -2.124 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.310 -1.393 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.786 -0.489 1.995 1.00 0.00 H new ATOM 615 N SER A 39 10.585 -1.530 6.179 1.00 0.00 N ATOM 616 CA SER A 39 10.726 -1.798 7.604 1.00 0.00 C ATOM 617 C SER A 39 10.175 -0.604 8.379 1.00 0.00 C ATOM 618 O SER A 39 9.664 -0.740 9.492 1.00 0.00 O ATOM 619 CB SER A 39 12.198 -2.021 7.961 1.00 0.00 C ATOM 620 OG SER A 39 12.294 -2.477 9.305 1.00 0.00 O ATOM 0 H SER A 39 11.465 -1.468 5.666 1.00 0.00 H new ATOM 0 HA SER A 39 10.172 -2.700 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.641 -2.752 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.758 -1.094 7.839 1.00 0.00 H new ATOM 0 HG SER A 39 13.236 -2.622 9.535 1.00 0.00 H new ATOM 626 N GLN A 40 10.290 0.567 7.749 1.00 0.00 N ATOM 627 CA GLN A 40 9.819 1.821 8.321 1.00 0.00 C ATOM 628 C GLN A 40 8.313 2.004 8.080 1.00 0.00 C ATOM 629 O GLN A 40 7.737 2.994 8.486 1.00 0.00 O ATOM 630 CB GLN A 40 10.596 2.980 7.671 1.00 0.00 C ATOM 631 CG GLN A 40 10.468 4.268 8.500 1.00 0.00 C ATOM 632 CD GLN A 40 11.283 5.401 7.870 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.153 6.553 8.280 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.122 5.149 6.900 1.00 0.00 N ATOM 0 H GLN A 40 10.714 0.668 6.827 1.00 0.00 H new ATOM 0 HA GLN A 40 9.988 1.809 9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.647 2.708 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.219 3.154 6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.420 4.561 8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.814 4.087 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.233 4.195 6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.666 5.906 6.486 1.00 0.00 H new ATOM 643 N SER A 41 7.688 1.051 7.402 1.00 0.00 N ATOM 644 CA SER A 41 6.264 1.138 7.069 1.00 0.00 C ATOM 645 C SER A 41 5.387 1.510 8.273 1.00 0.00 C ATOM 646 O SER A 41 4.453 2.303 8.138 1.00 0.00 O ATOM 647 CB SER A 41 5.832 -0.235 6.557 1.00 0.00 C ATOM 648 OG SER A 41 4.442 -0.243 6.307 1.00 0.00 O ATOM 0 H SER A 41 8.144 0.202 7.068 1.00 0.00 H new ATOM 0 HA SER A 41 6.134 1.925 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.375 -0.479 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.082 -1.001 7.291 1.00 0.00 H new ATOM 0 HG SER A 41 4.090 -1.148 6.443 1.00 0.00 H new ATOM 654 N ALA A 42 5.703 0.961 9.435 1.00 0.00 N ATOM 655 CA ALA A 42 4.954 1.256 10.652 1.00 0.00 C ATOM 656 C ALA A 42 5.136 2.711 11.040 1.00 0.00 C ATOM 657 O ALA A 42 4.221 3.368 11.533 1.00 0.00 O ATOM 658 CB ALA A 42 5.498 0.404 11.783 1.00 0.00 C ATOM 0 H ALA A 42 6.475 0.307 9.564 1.00 0.00 H new ATOM 0 HA ALA A 42 3.899 1.048 10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.945 0.617 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.388 -0.650 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.553 0.632 11.936 1.00 0.00 H new ATOM 664 N ASN A 43 6.354 3.180 10.823 1.00 0.00 N ATOM 665 CA ASN A 43 6.742 4.535 11.143 1.00 0.00 C ATOM 666 C ASN A 43 6.038 5.542 10.244 1.00 0.00 C ATOM 667 O ASN A 43 5.716 6.648 10.653 1.00 0.00 O ATOM 668 CB ASN A 43 8.251 4.642 10.953 1.00 0.00 C ATOM 669 CG ASN A 43 8.973 4.467 12.286 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.868 5.319 13.168 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.705 3.406 12.485 1.00 0.00 N ATOM 0 H ASN A 43 7.105 2.622 10.416 1.00 0.00 H new ATOM 0 HA ASN A 43 6.458 4.761 12.171 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.589 3.883 10.248 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.501 5.611 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.192 3.281 13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.791 2.701 11.753 1.00 0.00 H new ATOM 678 N LEU A 44 5.828 5.130 9.015 1.00 0.00 N ATOM 679 CA LEU A 44 5.182 5.945 7.996 1.00 0.00 C ATOM 680 C LEU A 44 3.722 6.009 8.289 1.00 0.00 C ATOM 681 O LEU A 44 3.076 7.044 8.158 1.00 0.00 O ATOM 682 CB LEU A 44 5.493 5.297 6.659 1.00 0.00 C ATOM 683 CG LEU A 44 7.015 5.184 6.619 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.480 4.263 5.517 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.592 6.571 6.474 1.00 0.00 C ATOM 0 H LEU A 44 6.103 4.205 8.684 1.00 0.00 H new ATOM 0 HA LEU A 44 5.543 6.973 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.022 4.317 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.120 5.901 5.832 1.00 0.00 H new ATOM 0 HG LEU A 44 7.371 4.739 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.569 4.210 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.067 3.267 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.140 4.646 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.680 6.511 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.227 7.022 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.286 7.183 7.323 1.00 0.00 H new ATOM 697 N LEU A 45 3.253 4.892 8.774 1.00 0.00 N ATOM 698 CA LEU A 45 1.887 4.773 9.221 1.00 0.00 C ATOM 699 C LEU A 45 1.735 5.671 10.442 1.00 0.00 C ATOM 700 O LEU A 45 0.723 6.341 10.632 1.00 0.00 O ATOM 701 CB LEU A 45 1.594 3.308 9.552 1.00 0.00 C ATOM 702 CG LEU A 45 0.329 3.181 10.407 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.868 3.803 9.676 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.071 1.697 10.675 1.00 0.00 C ATOM 0 H LEU A 45 3.803 4.039 8.872 1.00 0.00 H new ATOM 0 HA LEU A 45 1.177 5.082 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.472 2.740 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.441 2.875 10.083 1.00 0.00 H new ATOM 0 HG LEU A 45 0.464 3.710 11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.761 3.707 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.670 4.858 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.024 3.287 8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.827 1.588 11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.066 1.175 9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.922 1.270 11.205 1.00 0.00 H new ATOM 716 N ALA A 46 2.793 5.697 11.238 1.00 0.00 N ATOM 717 CA ALA A 46 2.846 6.526 12.426 1.00 0.00 C ATOM 718 C ALA A 46 2.829 7.987 12.027 1.00 0.00 C ATOM 719 O ALA A 46 2.086 8.800 12.579 1.00 0.00 O ATOM 720 CB ALA A 46 4.141 6.255 13.187 1.00 0.00 C ATOM 0 H ALA A 46 3.635 5.145 11.077 1.00 0.00 H new ATOM 0 HA ALA A 46 1.986 6.295 13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.176 6.880 14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.179 5.205 13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.994 6.486 12.548 1.00 0.00 H new ATOM 726 N GLU A 47 3.655 8.281 11.035 1.00 0.00 N ATOM 727 CA GLU A 47 3.773 9.610 10.490 1.00 0.00 C ATOM 728 C GLU A 47 2.463 10.024 9.884 1.00 0.00 C ATOM 729 O GLU A 47 2.054 11.172 9.970 1.00 0.00 O ATOM 730 CB GLU A 47 4.810 9.587 9.377 1.00 0.00 C ATOM 731 CG GLU A 47 6.231 9.678 9.915 1.00 0.00 C ATOM 732 CD GLU A 47 6.400 10.905 10.817 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.132 12.002 10.351 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.785 10.729 11.961 1.00 0.00 O ATOM 0 H GLU A 47 4.263 7.595 10.588 1.00 0.00 H new ATOM 0 HA GLU A 47 4.058 10.302 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.700 8.670 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.627 10.417 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.470 8.774 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.935 9.733 9.085 1.00 0.00 H new ATOM 741 N ALA A 48 1.822 9.062 9.257 1.00 0.00 N ATOM 742 CA ALA A 48 0.570 9.289 8.615 1.00 0.00 C ATOM 743 C ALA A 48 -0.481 9.607 9.648 1.00 0.00 C ATOM 744 O ALA A 48 -1.180 10.598 9.523 1.00 0.00 O ATOM 745 CB ALA A 48 0.226 8.042 7.839 1.00 0.00 C ATOM 0 H ALA A 48 2.164 8.104 9.185 1.00 0.00 H new ATOM 0 HA ALA A 48 0.621 10.139 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.730 8.180 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.003 7.847 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.155 7.196 8.523 1.00 0.00 H new ATOM 751 N LYS A 49 -0.540 8.793 10.699 1.00 0.00 N ATOM 752 CA LYS A 49 -1.472 9.042 11.788 1.00 0.00 C ATOM 753 C LYS A 49 -1.174 10.406 12.382 1.00 0.00 C ATOM 754 O LYS A 49 -2.074 11.091 12.857 1.00 0.00 O ATOM 755 CB LYS A 49 -1.361 7.955 12.864 1.00 0.00 C ATOM 756 CG LYS A 49 -1.972 6.648 12.342 1.00 0.00 C ATOM 757 CD LYS A 49 -1.942 5.585 13.447 1.00 0.00 C ATOM 758 CE LYS A 49 -2.460 4.252 12.895 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.843 3.361 14.027 1.00 0.00 N ATOM 0 H LYS A 49 0.042 7.964 10.817 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.491 9.021 11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.316 7.798 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.877 8.273 13.770 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.998 6.820 12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.416 6.298 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.925 5.464 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.556 5.904 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.319 4.424 12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.692 3.775 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.195 2.456 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.013 3.188 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.589 3.816 14.590 1.00 0.00 H new ATOM 773 N LYS A 50 0.102 10.801 12.324 1.00 0.00 N ATOM 774 CA LYS A 50 0.511 12.088 12.832 1.00 0.00 C ATOM 775 C LYS A 50 0.056 13.183 11.888 1.00 0.00 C ATOM 776 O LYS A 50 -0.419 14.233 12.319 1.00 0.00 O ATOM 777 CB LYS A 50 2.033 12.118 13.003 1.00 0.00 C ATOM 778 CG LYS A 50 2.464 13.392 13.750 1.00 0.00 C ATOM 779 CD LYS A 50 3.601 14.078 12.982 1.00 0.00 C ATOM 780 CE LYS A 50 4.873 13.223 13.038 1.00 0.00 C ATOM 781 NZ LYS A 50 5.495 13.334 14.388 1.00 0.00 N ATOM 0 H LYS A 50 0.857 10.241 11.929 1.00 0.00 H new ATOM 0 HA LYS A 50 0.049 12.257 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.361 11.237 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.516 12.080 12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.617 14.071 13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.792 13.141 14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.305 14.235 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.796 15.061 13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.633 12.182 12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.578 13.552 12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.438 12.895 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.584 14.337 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.898 12.847 15.086 1.00 0.00 H new ATOM 795 N LEU A 51 0.203 12.918 10.596 1.00 0.00 N ATOM 796 CA LEU A 51 -0.198 13.872 9.580 1.00 0.00 C ATOM 797 C LEU A 51 -1.710 13.979 9.546 1.00 0.00 C ATOM 798 O LEU A 51 -2.265 15.075 9.468 1.00 0.00 O ATOM 799 CB LEU A 51 0.338 13.461 8.200 1.00 0.00 C ATOM 800 CG LEU A 51 1.668 14.170 7.893 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.513 15.689 8.044 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.772 13.663 8.834 1.00 0.00 C ATOM 0 H LEU A 51 0.597 12.051 10.231 1.00 0.00 H new ATOM 0 HA LEU A 51 0.225 14.845 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.482 12.381 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.396 13.708 7.432 1.00 0.00 H new ATOM 0 HG LEU A 51 1.948 13.945 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.463 16.175 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.752 16.048 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.214 15.924 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.708 14.173 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.491 13.866 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.902 12.589 8.698 1.00 0.00 H new ATOM 814 N ASN A 52 -2.366 12.826 9.632 1.00 0.00 N ATOM 815 CA ASN A 52 -3.804 12.765 9.642 1.00 0.00 C ATOM 816 C ASN A 52 -4.303 13.483 10.881 1.00 0.00 C ATOM 817 O ASN A 52 -5.222 14.290 10.811 1.00 0.00 O ATOM 818 CB ASN A 52 -4.240 11.288 9.649 1.00 0.00 C ATOM 819 CG ASN A 52 -5.151 10.969 10.826 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.687 10.575 11.895 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.421 11.116 10.682 1.00 0.00 N ATOM 0 H ASN A 52 -1.908 11.917 9.696 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.224 13.246 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.757 11.058 8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.358 10.649 9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.050 10.905 11.457 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.799 11.443 9.793 1.00 0.00 H new ATOM 828 N ASP A 53 -3.667 13.178 12.014 1.00 0.00 N ATOM 829 CA ASP A 53 -4.041 13.800 13.271 1.00 0.00 C ATOM 830 C ASP A 53 -3.807 15.301 13.199 1.00 0.00 C ATOM 831 O ASP A 53 -4.632 16.091 13.656 1.00 0.00 O ATOM 832 CB ASP A 53 -3.250 13.204 14.436 1.00 0.00 C ATOM 833 CG ASP A 53 -3.658 13.878 15.747 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.638 13.449 16.332 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.990 14.821 16.141 1.00 0.00 O ATOM 0 H ASP A 53 -2.899 12.510 12.080 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.100 13.608 13.444 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.431 12.131 14.498 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.182 13.337 14.266 1.00 0.00 H new ATOM 840 N ALA A 54 -2.680 15.679 12.599 1.00 0.00 N ATOM 841 CA ALA A 54 -2.335 17.078 12.439 1.00 0.00 C ATOM 842 C ALA A 54 -3.382 17.756 11.563 1.00 0.00 C ATOM 843 O ALA A 54 -3.774 18.897 11.811 1.00 0.00 O ATOM 844 CB ALA A 54 -0.953 17.197 11.793 1.00 0.00 C ATOM 0 H ALA A 54 -1.993 15.029 12.217 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.311 17.565 13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.696 18.250 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.212 16.712 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.965 16.714 10.816 1.00 0.00 H new ATOM 850 N GLN A 55 -3.839 17.022 10.546 1.00 0.00 N ATOM 851 CA GLN A 55 -4.858 17.521 9.630 1.00 0.00 C ATOM 852 C GLN A 55 -6.262 17.263 10.183 1.00 0.00 C ATOM 853 O GLN A 55 -7.257 17.711 9.607 1.00 0.00 O ATOM 854 CB GLN A 55 -4.681 16.832 8.280 1.00 0.00 C ATOM 855 CG GLN A 55 -3.440 17.398 7.579 1.00 0.00 C ATOM 856 CD GLN A 55 -3.075 16.520 6.393 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.259 16.911 5.241 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.568 15.343 6.613 1.00 0.00 N ATOM 0 H GLN A 55 -3.516 16.077 10.339 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.743 18.599 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.575 15.756 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.565 16.988 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.633 18.417 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.606 17.446 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.417 15.023 7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.321 14.739 5.829 1.00 0.00 H new ATOM 867 N ALA A 56 -6.330 16.543 11.306 1.00 0.00 N ATOM 868 CA ALA A 56 -7.607 16.225 11.944 1.00 0.00 C ATOM 869 C ALA A 56 -8.031 17.356 12.869 1.00 0.00 C ATOM 870 O ALA A 56 -7.194 17.944 13.556 1.00 0.00 O ATOM 871 CB ALA A 56 -7.497 14.919 12.744 1.00 0.00 C ATOM 0 H ALA A 56 -5.514 16.170 11.791 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.358 16.101 11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.456 14.697 13.212 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.223 14.104 12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.734 15.027 13.514 1.00 0.00 H new ATOM 877 N PRO A 57 -9.311 17.670 12.894 1.00 0.00 N ATOM 878 CA PRO A 57 -9.882 18.744 13.737 1.00 0.00 C ATOM 879 C PRO A 57 -9.306 18.765 15.141 1.00 0.00 C ATOM 880 O PRO A 57 -8.962 17.730 15.717 1.00 0.00 O ATOM 881 CB PRO A 57 -11.381 18.422 13.789 1.00 0.00 C ATOM 882 CG PRO A 57 -11.570 17.167 13.022 1.00 0.00 C ATOM 883 CD PRO A 57 -10.379 17.063 12.104 1.00 0.00 C ATOM 0 HA PRO A 57 -9.656 19.726 13.322 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.716 18.301 14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.967 19.233 13.356 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.626 16.306 13.688 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.500 17.192 12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.155 16.028 11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.542 17.595 11.167 1.00 0.00 H new ATOM 891 N LYS A 58 -9.226 19.966 15.660 1.00 0.00 N ATOM 892 CA LYS A 58 -8.704 20.212 17.006 1.00 0.00 C ATOM 893 C LYS A 58 -9.754 20.916 17.868 1.00 0.00 C ATOM 894 O LYS A 58 -10.405 21.818 17.362 1.00 0.00 O ATOM 895 CB LYS A 58 -7.439 21.068 16.940 1.00 0.00 C ATOM 896 CG LYS A 58 -6.380 20.417 16.032 1.00 0.00 C ATOM 897 CD LYS A 58 -5.916 19.076 16.628 1.00 0.00 C ATOM 898 CE LYS A 58 -4.596 18.638 15.977 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.744 18.623 14.494 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.891 20.545 19.022 1.00 0.00 O ATOM 0 H LYS A 58 -9.519 20.811 15.169 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.461 19.250 17.457 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.686 22.060 16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.032 21.200 17.943 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.794 20.256 15.037 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.527 21.087 15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.784 19.174 17.706 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.679 18.315 16.468 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.795 19.319 16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.316 17.647 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.326 17.750 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.753 18.661 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.256 19.447 14.088 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -16.707 -3.905 7.371 1.00 0.00 N ATOM 916 CA VAL B 1 -15.868 -5.140 7.372 1.00 0.00 C ATOM 917 C VAL B 1 -15.246 -5.336 5.987 1.00 0.00 C ATOM 918 O VAL B 1 -15.400 -4.489 5.103 1.00 0.00 O ATOM 919 CB VAL B 1 -16.734 -6.359 7.750 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.232 -6.214 9.194 1.00 0.00 C ATOM 921 CG2 VAL B 1 -17.941 -6.465 6.804 1.00 0.00 C ATOM 0 H1 VAL B 1 -16.217 -3.152 7.894 1.00 0.00 H new ATOM 0 H2 VAL B 1 -16.870 -3.597 6.391 1.00 0.00 H new ATOM 0 H3 VAL B 1 -17.620 -4.105 7.827 1.00 0.00 H new ATOM 0 HA VAL B 1 -15.070 -5.038 8.107 1.00 0.00 H new ATOM 0 HB VAL B 1 -16.128 -7.261 7.661 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -17.843 -7.077 9.456 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -16.378 -6.155 9.869 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -17.829 -5.306 9.284 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -18.545 -7.329 7.080 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -18.544 -5.561 6.881 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -17.590 -6.581 5.778 1.00 0.00 H new ATOM 933 N ASP B 2 -14.545 -6.459 5.812 1.00 0.00 N ATOM 934 CA ASP B 2 -13.898 -6.774 4.539 1.00 0.00 C ATOM 935 C ASP B 2 -13.905 -8.282 4.296 1.00 0.00 C ATOM 936 O ASP B 2 -14.048 -9.073 5.231 1.00 0.00 O ATOM 937 CB ASP B 2 -12.451 -6.261 4.547 1.00 0.00 C ATOM 938 CG ASP B 2 -11.824 -6.415 3.159 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.085 -5.573 2.318 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.090 -7.371 2.959 1.00 0.00 O ATOM 0 H ASP B 2 -14.412 -7.164 6.537 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.452 -6.285 3.738 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -12.431 -5.214 4.848 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -11.866 -6.815 5.281 1.00 0.00 H new ATOM 945 N ASN B 3 -13.739 -8.667 3.029 1.00 0.00 N ATOM 946 CA ASN B 3 -13.714 -10.073 2.645 1.00 0.00 C ATOM 947 C ASN B 3 -12.532 -10.786 3.312 1.00 0.00 C ATOM 948 O ASN B 3 -11.649 -10.136 3.877 1.00 0.00 O ATOM 949 CB ASN B 3 -13.599 -10.179 1.118 1.00 0.00 C ATOM 950 CG ASN B 3 -13.795 -11.623 0.660 1.00 0.00 C ATOM 951 OD1 ASN B 3 -12.858 -12.252 0.175 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.964 -12.187 0.792 1.00 0.00 N ATOM 0 H ASN B 3 -13.620 -8.018 2.251 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.636 -10.552 2.975 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.345 -9.539 0.647 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.621 -9.820 0.796 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.101 -13.152 0.492 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.741 -11.663 1.195 1.00 0.00 H new ATOM 959 N LYS B 4 -12.518 -12.121 3.240 1.00 0.00 N ATOM 960 CA LYS B 4 -11.433 -12.904 3.840 1.00 0.00 C ATOM 961 C LYS B 4 -10.083 -12.474 3.268 1.00 0.00 C ATOM 962 O LYS B 4 -9.039 -12.677 3.890 1.00 0.00 O ATOM 963 CB LYS B 4 -11.675 -14.406 3.623 1.00 0.00 C ATOM 964 CG LYS B 4 -11.514 -14.768 2.144 1.00 0.00 C ATOM 965 CD LYS B 4 -11.915 -16.227 1.920 1.00 0.00 C ATOM 966 CE LYS B 4 -13.437 -16.360 2.013 1.00 0.00 C ATOM 967 NZ LYS B 4 -13.863 -17.647 1.390 1.00 0.00 N ATOM 0 H LYS B 4 -13.237 -12.677 2.778 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.417 -12.716 4.914 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.972 -14.984 4.223 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.677 -14.671 3.961 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.133 -14.113 1.531 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.481 -14.614 1.833 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.569 -16.564 0.943 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.438 -16.864 2.664 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -13.753 -16.326 3.056 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.917 -15.522 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -14.897 -17.738 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.574 -17.661 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.415 -18.440 1.891 1.00 0.00 H new ATOM 981 N PHE B 5 -10.127 -11.864 2.084 1.00 0.00 N ATOM 982 CA PHE B 5 -8.932 -11.376 1.412 1.00 0.00 C ATOM 983 C PHE B 5 -8.368 -10.135 2.097 1.00 0.00 C ATOM 984 O PHE B 5 -7.488 -9.491 1.552 1.00 0.00 O ATOM 985 CB PHE B 5 -9.253 -11.057 -0.056 1.00 0.00 C ATOM 986 CG PHE B 5 -9.193 -12.328 -0.860 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.009 -13.403 -0.507 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.315 -12.437 -1.945 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.953 -14.592 -1.239 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.255 -13.626 -2.675 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.076 -14.704 -2.324 1.00 0.00 C ATOM 0 H PHE B 5 -10.991 -11.697 1.568 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.177 -12.160 1.463 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.243 -10.608 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.541 -10.330 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.684 -13.316 0.332 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.685 -11.603 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.586 -15.424 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.576 -13.714 -3.510 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.033 -15.622 -2.891 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.847 -9.812 3.299 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.319 -8.656 4.024 1.00 0.00 C ATOM 1003 C ASN B 6 -6.854 -8.919 4.311 1.00 0.00 C ATOM 1004 O ASN B 6 -6.006 -8.055 4.118 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.092 -8.448 5.336 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.816 -7.061 5.915 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.731 -6.403 6.408 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.608 -6.570 5.888 1.00 0.00 N ATOM 0 H ASN B 6 -9.585 -10.323 3.783 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.431 -7.752 3.426 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.161 -8.566 5.156 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.804 -9.212 6.058 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.425 -5.644 6.275 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.846 -7.112 5.480 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.582 -10.146 4.732 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.228 -10.583 5.017 1.00 0.00 C ATOM 1017 C LYS B 7 -4.420 -10.647 3.721 1.00 0.00 C ATOM 1018 O LYS B 7 -3.251 -10.264 3.680 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.295 -11.964 5.692 1.00 0.00 C ATOM 1020 CG LYS B 7 -5.776 -13.034 4.698 1.00 0.00 C ATOM 1021 CD LYS B 7 -6.087 -14.337 5.447 1.00 0.00 C ATOM 1022 CE LYS B 7 -6.413 -15.451 4.444 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.150 -16.065 3.950 1.00 0.00 N ATOM 0 H LYS B 7 -7.292 -10.862 4.884 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.733 -9.878 5.685 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -4.311 -12.234 6.076 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.971 -11.924 6.546 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -6.665 -12.684 4.174 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -5.011 -13.212 3.942 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.234 -14.626 6.061 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -6.929 -14.186 6.123 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -7.037 -16.209 4.918 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -6.983 -15.046 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -5.368 -16.942 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -4.667 -15.400 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -4.531 -16.283 4.757 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.077 -11.139 2.673 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.469 -11.280 1.353 1.00 0.00 C ATOM 1039 C GLU B 8 -4.255 -9.922 0.687 1.00 0.00 C ATOM 1040 O GLU B 8 -3.282 -9.724 -0.048 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.397 -12.138 0.474 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.469 -13.571 1.028 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.072 -14.196 1.089 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.444 -14.305 0.048 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.646 -14.542 2.178 1.00 0.00 O ATOM 0 H GLU B 8 -6.047 -11.451 2.716 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.494 -11.755 1.467 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.394 -11.699 0.447 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.028 -12.154 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.912 -13.560 2.024 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.118 -14.178 0.397 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.183 -9.005 0.938 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.137 -7.673 0.360 1.00 0.00 C ATOM 1054 C ARG B 9 -3.884 -6.930 0.812 1.00 0.00 C ATOM 1055 O ARG B 9 -3.202 -6.316 -0.005 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.382 -6.885 0.792 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.288 -5.443 0.280 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.596 -4.702 0.561 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.768 -4.515 1.999 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.974 -4.459 2.549 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.920 -3.762 1.986 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.211 -5.102 3.654 1.00 0.00 N ATOM 0 H ARG B 9 -5.985 -9.167 1.547 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.114 -7.766 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.280 -7.362 0.399 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.468 -6.890 1.879 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.458 -4.929 0.765 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.082 -5.441 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.590 -3.735 0.059 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.437 -5.266 0.157 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.944 -4.426 2.593 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.735 -3.257 1.119 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.846 -3.721 2.412 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.471 -5.647 4.095 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.137 -5.061 4.079 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.586 -6.987 2.115 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.408 -6.296 2.635 1.00 0.00 C ATOM 1078 C VAL B 10 -1.144 -6.852 1.982 1.00 0.00 C ATOM 1079 O VAL B 10 -0.232 -6.102 1.686 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.324 -6.309 4.194 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.669 -6.699 4.840 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.227 -7.248 4.697 1.00 0.00 C ATOM 0 H VAL B 10 -4.132 -7.493 2.812 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.502 -5.244 2.367 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.077 -5.290 4.492 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.566 -6.696 5.925 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.435 -5.982 4.546 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.958 -7.696 4.506 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.202 -7.228 5.787 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.433 -8.263 4.358 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.263 -6.924 4.306 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.095 -8.162 1.744 1.00 0.00 N ATOM 1093 CA ILE B 11 0.083 -8.751 1.107 1.00 0.00 C ATOM 1094 C ILE B 11 0.259 -8.185 -0.299 1.00 0.00 C ATOM 1095 O ILE B 11 1.384 -7.910 -0.714 1.00 0.00 O ATOM 1096 CB ILE B 11 0.000 -10.284 1.081 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.108 -10.788 2.534 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.268 -10.855 0.411 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.272 -12.269 2.634 1.00 0.00 C ATOM 0 H ILE B 11 -1.837 -8.822 1.976 1.00 0.00 H new ATOM 0 HA ILE B 11 0.959 -8.486 1.699 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.871 -10.610 0.513 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.545 -10.198 3.176 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.126 -10.645 2.897 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.211 -11.943 0.392 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.342 -10.477 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.148 -10.548 0.976 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.187 -12.597 3.670 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.398 -12.860 2.010 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.299 -12.405 2.294 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.854 -7.981 -1.021 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.776 -7.410 -2.358 1.00 0.00 C ATOM 1113 C ALA B 12 -0.258 -6.009 -2.255 1.00 0.00 C ATOM 1114 O ALA B 12 0.702 -5.675 -2.921 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.163 -7.392 -2.993 1.00 0.00 C ATOM 0 H ALA B 12 -1.798 -8.201 -0.702 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.109 -8.011 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.100 -6.964 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.547 -8.410 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.835 -6.789 -2.382 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.843 -5.230 -1.352 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.395 -3.863 -1.124 1.00 0.00 C ATOM 1123 C ILE B 13 1.078 -3.932 -0.767 1.00 0.00 C ATOM 1124 O ILE B 13 1.877 -3.139 -1.221 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.241 -3.253 0.012 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.708 -3.300 -0.405 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.877 -1.790 0.273 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.614 -3.073 0.798 1.00 0.00 C ATOM 0 H ILE B 13 -1.627 -5.522 -0.768 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.519 -3.229 -2.002 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.052 -3.826 0.920 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.901 -2.539 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.932 -4.265 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.496 -1.399 1.080 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.173 -1.721 0.556 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.048 -1.206 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.656 -3.110 0.481 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.433 -3.849 1.541 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.402 -2.097 1.234 1.00 0.00 H new ATOM 1140 N GLY B 14 1.421 -4.946 0.001 1.00 0.00 N ATOM 1141 CA GLY B 14 2.803 -5.180 0.388 1.00 0.00 C ATOM 1142 C GLY B 14 3.685 -5.493 -0.818 1.00 0.00 C ATOM 1143 O GLY B 14 4.818 -5.033 -0.900 1.00 0.00 O ATOM 0 H GLY B 14 0.759 -5.627 0.373 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.190 -4.301 0.903 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.847 -6.008 1.095 1.00 0.00 H new ATOM 1147 N GLU B 15 3.161 -6.281 -1.751 1.00 0.00 N ATOM 1148 CA GLU B 15 3.918 -6.661 -2.932 1.00 0.00 C ATOM 1149 C GLU B 15 4.095 -5.466 -3.846 1.00 0.00 C ATOM 1150 O GLU B 15 5.184 -5.226 -4.361 1.00 0.00 O ATOM 1151 CB GLU B 15 3.169 -7.781 -3.656 1.00 0.00 C ATOM 1152 CG GLU B 15 4.086 -8.499 -4.658 1.00 0.00 C ATOM 1153 CD GLU B 15 3.807 -10.004 -4.639 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.682 -10.386 -4.916 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.727 -10.753 -4.354 1.00 0.00 O ATOM 0 H GLU B 15 2.218 -6.667 -1.710 1.00 0.00 H new ATOM 0 HA GLU B 15 4.907 -7.013 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.788 -8.498 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.306 -7.368 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.923 -8.103 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU B 15 5.130 -8.311 -4.407 1.00 0.00 H new ATOM 1162 N ILE B 16 3.010 -4.722 -4.034 1.00 0.00 N ATOM 1163 CA ILE B 16 3.044 -3.534 -4.907 1.00 0.00 C ATOM 1164 C ILE B 16 4.073 -2.538 -4.390 1.00 0.00 C ATOM 1165 O ILE B 16 4.958 -2.088 -5.117 1.00 0.00 O ATOM 1166 CB ILE B 16 1.671 -2.840 -4.912 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.573 -3.917 -4.842 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.531 -1.947 -6.158 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.505 -3.715 -5.861 1.00 0.00 C ATOM 0 H ILE B 16 2.104 -4.909 -3.604 1.00 0.00 H new ATOM 0 HA ILE B 16 3.304 -3.859 -5.914 1.00 0.00 H new ATOM 0 HB ILE B 16 1.570 -2.189 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE B 16 1.024 -4.899 -4.987 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.130 -3.913 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.555 -1.461 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.314 -1.188 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.625 -2.558 -7.056 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.250 -4.504 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.979 -2.746 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.071 -3.747 -6.861 1.00 0.00 H new ATOM 1181 N MET B 17 3.936 -2.230 -3.113 1.00 0.00 N ATOM 1182 CA MET B 17 4.836 -1.314 -2.423 1.00 0.00 C ATOM 1183 C MET B 17 6.278 -1.824 -2.507 1.00 0.00 C ATOM 1184 O MET B 17 7.218 -1.035 -2.625 1.00 0.00 O ATOM 1185 CB MET B 17 4.364 -1.196 -0.986 1.00 0.00 C ATOM 1186 CG MET B 17 2.927 -0.640 -0.989 1.00 0.00 C ATOM 1187 SD MET B 17 2.954 1.094 -1.440 1.00 0.00 S ATOM 1188 CE MET B 17 3.856 1.628 0.011 1.00 0.00 C ATOM 0 H MET B 17 3.196 -2.607 -2.521 1.00 0.00 H new ATOM 0 HA MET B 17 4.822 -0.329 -2.890 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.393 -2.169 -0.496 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.024 -0.536 -0.423 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.311 -1.200 -1.693 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.477 -0.763 -0.004 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.278 2.385 0.541 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.025 0.775 0.668 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.815 2.049 -0.291 1.00 0.00 H new ATOM 1198 N ARG B 18 6.438 -3.150 -2.475 1.00 0.00 N ATOM 1199 CA ARG B 18 7.755 -3.769 -2.579 1.00 0.00 C ATOM 1200 C ARG B 18 8.341 -3.615 -3.982 1.00 0.00 C ATOM 1201 O ARG B 18 9.558 -3.485 -4.133 1.00 0.00 O ATOM 1202 CB ARG B 18 7.659 -5.235 -2.208 1.00 0.00 C ATOM 1203 CG ARG B 18 8.011 -5.388 -0.722 1.00 0.00 C ATOM 1204 CD ARG B 18 9.039 -6.490 -0.544 1.00 0.00 C ATOM 1205 NE ARG B 18 8.422 -7.632 0.111 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.163 -8.758 -0.548 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.267 -8.766 -1.495 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.798 -9.852 -0.244 1.00 0.00 N ATOM 0 H ARG B 18 5.669 -3.813 -2.378 1.00 0.00 H new ATOM 0 HA ARG B 18 8.425 -3.260 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.653 -5.608 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.340 -5.826 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.402 -4.448 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.113 -5.620 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.440 -6.787 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.877 -6.126 0.050 1.00 0.00 H new ATOM 0 HE ARG B 18 8.182 -7.568 1.100 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.766 -7.909 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.068 -9.629 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.495 -9.847 0.500 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.599 -10.715 -0.750 1.00 0.00 H new ATOM 1222 N LEU B 19 7.473 -3.629 -5.005 1.00 0.00 N ATOM 1223 CA LEU B 19 7.933 -3.484 -6.390 1.00 0.00 C ATOM 1224 C LEU B 19 8.722 -2.188 -6.540 1.00 0.00 C ATOM 1225 O LEU B 19 8.172 -1.108 -6.343 1.00 0.00 O ATOM 1226 CB LEU B 19 6.747 -3.455 -7.364 1.00 0.00 C ATOM 1227 CG LEU B 19 6.058 -4.819 -7.454 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.733 -4.658 -8.195 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.935 -5.799 -8.220 1.00 0.00 C ATOM 0 H LEU B 19 6.464 -3.738 -4.900 1.00 0.00 H new ATOM 0 HA LEU B 19 8.565 -4.340 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.027 -2.704 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.095 -3.157 -8.353 1.00 0.00 H new ATOM 0 HG LEU B 19 5.887 -5.201 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.235 -5.625 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.096 -3.959 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.921 -4.274 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.435 -6.766 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.110 -5.420 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.888 -5.914 -7.704 1.00 0.00 H new ATOM 1241 N PRO B 20 9.994 -2.268 -6.860 1.00 0.00 N ATOM 1242 CA PRO B 20 10.859 -1.069 -7.009 1.00 0.00 C ATOM 1243 C PRO B 20 10.664 -0.311 -8.329 1.00 0.00 C ATOM 1244 O PRO B 20 11.294 0.731 -8.528 1.00 0.00 O ATOM 1245 CB PRO B 20 12.288 -1.631 -6.916 1.00 0.00 C ATOM 1246 CG PRO B 20 12.175 -3.104 -6.711 1.00 0.00 C ATOM 1247 CD PRO B 20 10.766 -3.496 -7.113 1.00 0.00 C ATOM 0 HA PRO B 20 10.619 -0.329 -6.246 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.847 -1.412 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.829 -1.169 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.911 -3.636 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.367 -3.365 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.714 -3.797 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.396 -4.334 -6.522 1.00 0.00 H new ATOM 1255 N ASN B 21 9.822 -0.828 -9.236 1.00 0.00 N ATOM 1256 CA ASN B 21 9.620 -0.160 -10.525 1.00 0.00 C ATOM 1257 C ASN B 21 8.271 0.562 -10.601 1.00 0.00 C ATOM 1258 O ASN B 21 8.072 1.387 -11.495 1.00 0.00 O ATOM 1259 CB ASN B 21 9.726 -1.176 -11.668 1.00 0.00 C ATOM 1260 CG ASN B 21 11.048 -1.939 -11.596 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.074 -1.383 -11.202 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.083 -3.188 -11.964 1.00 0.00 N ATOM 0 H ASN B 21 9.284 -1.684 -9.105 1.00 0.00 H new ATOM 0 HA ASN B 21 10.403 0.592 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.893 -1.877 -11.616 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.650 -0.662 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.961 -3.706 -11.926 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.233 -3.648 -12.290 1.00 0.00 H new ATOM 1269 N LEU B 22 7.343 0.265 -9.678 1.00 0.00 N ATOM 1270 CA LEU B 22 6.036 0.931 -9.708 1.00 0.00 C ATOM 1271 C LEU B 22 6.126 2.384 -9.270 1.00 0.00 C ATOM 1272 O LEU B 22 7.049 2.791 -8.561 1.00 0.00 O ATOM 1273 CB LEU B 22 4.994 0.226 -8.820 1.00 0.00 C ATOM 1274 CG LEU B 22 4.695 -1.189 -9.306 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.430 -1.707 -8.622 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.466 -1.166 -10.799 1.00 0.00 C ATOM 0 H LEU B 22 7.468 -0.411 -8.924 1.00 0.00 H new ATOM 0 HA LEU B 22 5.715 0.879 -10.748 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.359 0.188 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.073 0.808 -8.810 1.00 0.00 H new ATOM 0 HG LEU B 22 5.537 -1.838 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.217 -2.718 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.579 -1.718 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.591 -1.055 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.252 -2.176 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.622 -0.516 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.359 -0.790 -11.298 1.00 0.00 H new ATOM 1288 N ASN B 23 5.130 3.147 -9.701 1.00 0.00 N ATOM 1289 CA ASN B 23 5.023 4.558 -9.373 1.00 0.00 C ATOM 1290 C ASN B 23 4.179 4.702 -8.109 1.00 0.00 C ATOM 1291 O ASN B 23 3.367 3.828 -7.803 1.00 0.00 O ATOM 1292 CB ASN B 23 4.373 5.263 -10.584 1.00 0.00 C ATOM 1293 CG ASN B 23 3.462 6.417 -10.196 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.304 6.455 -10.595 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.922 7.371 -9.463 1.00 0.00 N ATOM 0 H ASN B 23 4.372 2.801 -10.290 1.00 0.00 H new ATOM 0 HA ASN B 23 5.994 5.012 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.158 5.635 -11.242 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.799 4.533 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.322 8.158 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.886 7.340 -9.131 1.00 0.00 H new ATOM 1302 N SER B 24 4.357 5.807 -7.384 1.00 0.00 N ATOM 1303 CA SER B 24 3.584 6.032 -6.168 1.00 0.00 C ATOM 1304 C SER B 24 2.099 6.045 -6.506 1.00 0.00 C ATOM 1305 O SER B 24 1.290 5.426 -5.821 1.00 0.00 O ATOM 1306 CB SER B 24 3.989 7.363 -5.530 1.00 0.00 C ATOM 1307 OG SER B 24 3.631 8.436 -6.393 1.00 0.00 O ATOM 0 H SER B 24 5.019 6.548 -7.615 1.00 0.00 H new ATOM 0 HA SER B 24 3.784 5.229 -5.459 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.496 7.480 -4.565 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.063 7.376 -5.343 1.00 0.00 H new ATOM 0 HG SER B 24 3.890 9.287 -5.982 1.00 0.00 H new ATOM 1313 N LEU B 25 1.770 6.734 -7.598 1.00 0.00 N ATOM 1314 CA LEU B 25 0.399 6.820 -8.072 1.00 0.00 C ATOM 1315 C LEU B 25 -0.073 5.481 -8.630 1.00 0.00 C ATOM 1316 O LEU B 25 -1.234 5.116 -8.453 1.00 0.00 O ATOM 1317 CB LEU B 25 0.271 7.912 -9.142 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.639 9.019 -8.644 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.663 10.177 -9.650 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.042 8.448 -8.459 1.00 0.00 C ATOM 0 H LEU B 25 2.443 7.242 -8.171 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.235 7.079 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.255 8.317 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.129 7.487 -10.062 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.270 9.404 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.319 10.965 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.345 10.572 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.032 9.817 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.710 9.232 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.408 8.067 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.012 7.637 -7.731 1.00 0.00 H new ATOM 1332 N GLN B 26 0.830 4.744 -9.293 1.00 0.00 N ATOM 1333 CA GLN B 26 0.474 3.445 -9.846 1.00 0.00 C ATOM 1334 C GLN B 26 0.118 2.500 -8.718 1.00 0.00 C ATOM 1335 O GLN B 26 -0.852 1.749 -8.797 1.00 0.00 O ATOM 1336 CB GLN B 26 1.652 2.858 -10.618 1.00 0.00 C ATOM 1337 CG GLN B 26 1.774 3.498 -12.005 1.00 0.00 C ATOM 1338 CD GLN B 26 2.961 2.893 -12.747 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.190 3.206 -13.913 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.735 2.038 -12.134 1.00 0.00 N ATOM 0 H GLN B 26 1.797 5.026 -9.454 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.375 3.572 -10.518 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.574 3.017 -10.058 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.523 1.781 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.857 3.337 -12.572 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.904 4.576 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.543 1.779 -11.166 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.531 1.629 -12.623 1.00 0.00 H new ATOM 1349 N VAL B 27 0.912 2.572 -7.658 1.00 0.00 N ATOM 1350 CA VAL B 27 0.695 1.747 -6.488 1.00 0.00 C ATOM 1351 C VAL B 27 -0.621 2.126 -5.860 1.00 0.00 C ATOM 1352 O VAL B 27 -1.423 1.262 -5.537 1.00 0.00 O ATOM 1353 CB VAL B 27 1.864 1.905 -5.514 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.583 1.139 -4.210 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.123 1.340 -6.186 1.00 0.00 C ATOM 0 H VAL B 27 1.714 3.198 -7.589 1.00 0.00 H new ATOM 0 HA VAL B 27 0.649 0.694 -6.767 1.00 0.00 H new ATOM 0 HB VAL B 27 2.001 2.958 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.424 1.261 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.679 1.531 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.447 0.081 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.972 1.441 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.969 0.287 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.323 1.891 -7.105 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.861 3.426 -5.753 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.117 3.910 -5.226 1.00 0.00 C ATOM 1367 C VAL B 28 -3.247 3.411 -6.134 1.00 0.00 C ATOM 1368 O VAL B 28 -4.336 3.086 -5.664 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.114 5.447 -5.170 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.474 5.932 -4.664 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.000 5.943 -4.225 1.00 0.00 C ATOM 0 H VAL B 28 -0.202 4.156 -6.024 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.264 3.537 -4.213 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.928 5.844 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.479 7.021 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.257 5.591 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.656 5.529 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.008 7.033 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.171 5.550 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.033 5.598 -4.590 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.958 3.334 -7.439 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.928 2.859 -8.414 1.00 0.00 C ATOM 1383 C ALA B 29 -4.321 1.436 -8.075 1.00 0.00 C ATOM 1384 O ALA B 29 -5.502 1.079 -8.061 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.294 2.882 -9.818 1.00 0.00 C ATOM 0 H ALA B 29 -2.057 3.597 -7.837 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.808 3.502 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.019 2.527 -10.550 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.997 3.901 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.417 2.235 -9.832 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.303 0.638 -7.786 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.496 -0.740 -7.441 1.00 0.00 C ATOM 1393 C PHE B 30 -4.134 -0.869 -6.047 1.00 0.00 C ATOM 1394 O PHE B 30 -5.065 -1.654 -5.860 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.137 -1.461 -7.526 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.635 -1.460 -8.974 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.447 -1.948 -10.026 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.363 -0.931 -9.280 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.986 -1.896 -11.340 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.081 -0.895 -10.597 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.729 -1.371 -11.627 1.00 0.00 C ATOM 0 H PHE B 30 -2.328 0.938 -7.787 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.187 -1.210 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.412 -0.966 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.236 -2.485 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.422 -2.360 -9.811 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.267 -0.553 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.608 -2.266 -12.142 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.059 -0.496 -10.823 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.381 -1.332 -12.649 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.661 -0.066 -5.084 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.214 -0.086 -3.727 1.00 0.00 C ATOM 1413 C ILE B 31 -5.700 0.248 -3.772 1.00 0.00 C ATOM 1414 O ILE B 31 -6.529 -0.451 -3.191 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.468 0.933 -2.840 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -2.008 0.491 -2.638 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.143 1.037 -1.468 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.201 1.646 -2.023 1.00 0.00 C ATOM 0 H ILE B 31 -2.901 0.601 -5.220 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.086 -1.082 -3.302 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.496 1.902 -3.338 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.968 -0.382 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.571 0.196 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.607 1.759 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.175 1.364 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.128 0.062 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.167 1.332 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.230 2.506 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.633 1.920 -1.060 1.00 0.00 H new ATOM 1430 N ASN B 32 -6.022 1.318 -4.482 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.400 1.759 -4.628 1.00 0.00 C ATOM 1432 C ASN B 32 -8.283 0.654 -5.225 1.00 0.00 C ATOM 1433 O ASN B 32 -9.468 0.575 -4.912 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.440 2.997 -5.526 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.806 3.675 -5.473 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.651 3.347 -4.637 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -9.064 4.617 -6.327 1.00 0.00 N ATOM 0 H ASN B 32 -5.342 1.901 -4.970 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.791 2.000 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.669 3.701 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.213 2.712 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.968 5.089 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.363 4.886 -7.017 1.00 0.00 H new ATOM 1444 N SER B 33 -7.703 -0.202 -6.080 1.00 0.00 N ATOM 1445 CA SER B 33 -8.460 -1.285 -6.690 1.00 0.00 C ATOM 1446 C SER B 33 -8.896 -2.273 -5.634 1.00 0.00 C ATOM 1447 O SER B 33 -9.995 -2.816 -5.687 1.00 0.00 O ATOM 1448 CB SER B 33 -7.610 -2.020 -7.674 1.00 0.00 C ATOM 1449 OG SER B 33 -6.916 -1.100 -8.506 1.00 0.00 O ATOM 0 H SER B 33 -6.722 -0.160 -6.357 1.00 0.00 H new ATOM 0 HA SER B 33 -9.327 -0.850 -7.187 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.897 -2.655 -7.147 1.00 0.00 H new ATOM 0 HB3 SER B 33 -8.231 -2.676 -8.284 1.00 0.00 H new ATOM 0 HG SER B 33 -6.237 -0.630 -7.979 1.00 0.00 H new ATOM 1455 N LEU B 34 -8.009 -2.499 -4.666 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.311 -3.422 -3.583 1.00 0.00 C ATOM 1457 C LEU B 34 -9.491 -2.840 -2.831 1.00 0.00 C ATOM 1458 O LEU B 34 -10.427 -3.542 -2.443 1.00 0.00 O ATOM 1459 CB LEU B 34 -7.097 -3.589 -2.652 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.784 -3.529 -3.462 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.583 -3.741 -2.559 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.774 -4.594 -4.544 1.00 0.00 C ATOM 0 H LEU B 34 -7.089 -2.061 -4.612 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.548 -4.413 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -7.101 -2.805 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.163 -4.541 -2.125 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.725 -2.541 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.669 -3.695 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.560 -2.963 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.656 -4.718 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.841 -4.535 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.861 -5.579 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.613 -4.433 -5.221 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.438 -1.520 -2.703 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.512 -0.745 -2.075 1.00 0.00 C ATOM 1476 C ARG B 35 -11.794 -0.931 -2.877 1.00 0.00 C ATOM 1477 O ARG B 35 -12.870 -1.160 -2.321 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.119 0.742 -2.083 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.198 1.347 -0.676 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.906 2.107 -0.370 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.671 2.145 1.064 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.414 2.904 1.861 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.088 4.147 2.065 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.469 2.405 2.436 1.00 0.00 N ATOM 0 H ARG B 35 -8.654 -0.954 -3.029 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.669 -1.082 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.106 0.851 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.779 1.291 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.053 2.020 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.352 0.559 0.061 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.066 1.626 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.972 3.122 -0.762 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.923 1.579 1.465 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.262 4.538 1.613 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.659 4.730 2.677 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.725 1.431 2.275 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.040 2.988 3.048 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.643 -0.840 -4.197 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.753 -1.005 -5.124 1.00 0.00 C ATOM 1500 C ASP B 36 -13.308 -2.426 -5.038 1.00 0.00 C ATOM 1501 O ASP B 36 -14.521 -2.635 -5.095 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.253 -0.712 -6.552 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.767 0.743 -6.680 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.248 1.592 -5.943 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.910 0.983 -7.514 1.00 0.00 O ATOM 0 H ASP B 36 -10.749 -0.650 -4.650 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.554 -0.312 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.441 -1.394 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -13.055 -0.895 -7.267 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.397 -3.387 -4.884 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.757 -4.801 -4.773 1.00 0.00 C ATOM 1512 C ASP B 37 -11.548 -5.611 -4.311 1.00 0.00 C ATOM 1513 O ASP B 37 -10.596 -5.806 -5.071 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.258 -5.344 -6.124 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.787 -5.404 -6.144 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.337 -6.218 -5.420 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.381 -4.642 -6.889 1.00 0.00 O ATOM 0 H ASP B 37 -11.394 -3.209 -4.833 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.559 -4.895 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.903 -4.706 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.847 -6.338 -6.298 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.567 -6.085 -3.087 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.453 -6.894 -2.528 1.00 0.00 C ATOM 1524 C PRO B 38 -10.397 -8.304 -3.122 1.00 0.00 C ATOM 1525 O PRO B 38 -9.444 -9.049 -2.882 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.732 -6.957 -1.025 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.982 -6.177 -0.764 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.648 -5.905 -2.104 1.00 0.00 C ATOM 0 HA PRO B 38 -9.488 -6.444 -2.763 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.851 -7.991 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.896 -6.541 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.652 -6.736 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.749 -5.241 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.472 -6.595 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.061 -4.897 -2.146 1.00 0.00 H new ATOM 1536 N SER B 39 -11.430 -8.659 -3.887 1.00 0.00 N ATOM 1537 CA SER B 39 -11.514 -9.973 -4.504 1.00 0.00 C ATOM 1538 C SER B 39 -10.379 -10.174 -5.494 1.00 0.00 C ATOM 1539 O SER B 39 -9.774 -11.248 -5.539 1.00 0.00 O ATOM 1540 CB SER B 39 -12.859 -10.123 -5.222 1.00 0.00 C ATOM 1541 OG SER B 39 -12.983 -11.450 -5.721 1.00 0.00 O ATOM 0 H SER B 39 -12.221 -8.048 -4.092 1.00 0.00 H new ATOM 0 HA SER B 39 -11.432 -10.729 -3.723 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.677 -9.903 -4.536 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.929 -9.407 -6.041 1.00 0.00 H new ATOM 0 HG SER B 39 -13.844 -11.548 -6.179 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.103 -9.138 -6.293 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.049 -9.223 -7.288 1.00 0.00 C ATOM 1549 C GLN B 40 -7.811 -8.450 -6.862 1.00 0.00 C ATOM 1550 O GLN B 40 -7.060 -7.980 -7.715 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.534 -8.734 -8.672 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.072 -8.633 -8.748 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.531 -7.205 -8.452 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.576 -6.777 -8.940 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -10.813 -6.439 -7.676 1.00 0.00 N ATOM 0 H GLN B 40 -10.593 -8.244 -6.265 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.780 -10.276 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.097 -7.759 -8.885 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.178 -9.418 -9.442 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.413 -8.933 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.523 -9.322 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -9.946 -6.793 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.119 -5.487 -7.475 1.00 0.00 H new ATOM 1564 N SER B 41 -7.570 -8.331 -5.548 1.00 0.00 N ATOM 1565 CA SER B 41 -6.388 -7.619 -5.091 1.00 0.00 C ATOM 1566 C SER B 41 -5.149 -8.236 -5.702 1.00 0.00 C ATOM 1567 O SER B 41 -4.198 -7.541 -6.036 1.00 0.00 O ATOM 1568 CB SER B 41 -6.287 -7.670 -3.562 1.00 0.00 C ATOM 1569 OG SER B 41 -7.364 -6.949 -2.989 1.00 0.00 O ATOM 0 H SER B 41 -8.163 -8.709 -4.809 1.00 0.00 H new ATOM 0 HA SER B 41 -6.468 -6.578 -5.403 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.307 -8.705 -3.221 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.338 -7.245 -3.236 1.00 0.00 H new ATOM 0 HG SER B 41 -7.298 -6.984 -2.012 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.211 -9.544 -5.856 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.136 -10.322 -6.447 1.00 0.00 C ATOM 1577 C ALA B 42 -4.036 -10.057 -7.948 1.00 0.00 C ATOM 1578 O ALA B 42 -2.965 -10.189 -8.536 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.427 -11.805 -6.221 1.00 0.00 C ATOM 0 H ALA B 42 -6.016 -10.103 -5.572 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.193 -10.037 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.628 -12.403 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.485 -12.005 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.375 -12.065 -6.691 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.178 -9.716 -8.555 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.265 -9.465 -9.988 1.00 0.00 C ATOM 1587 C ASN B 43 -4.573 -8.185 -10.391 1.00 0.00 C ATOM 1588 O ASN B 43 -3.727 -8.179 -11.278 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.715 -9.340 -10.363 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.905 -9.552 -11.862 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.431 -10.581 -12.284 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.495 -8.637 -12.697 1.00 0.00 N ATOM 0 H ASN B 43 -6.065 -9.608 -8.062 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.776 -10.295 -10.499 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.303 -10.072 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.085 -8.355 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.610 -8.774 -13.701 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.059 -7.784 -12.346 1.00 0.00 H new ATOM 1599 N LEU B 44 -4.940 -7.090 -9.743 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.323 -5.841 -10.053 1.00 0.00 C ATOM 1601 C LEU B 44 -2.939 -5.828 -9.439 1.00 0.00 C ATOM 1602 O LEU B 44 -2.025 -5.211 -9.956 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.230 -4.635 -9.770 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.395 -4.258 -8.312 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.338 -5.233 -7.611 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.081 -4.177 -7.563 1.00 0.00 C ATOM 0 H LEU B 44 -5.652 -7.055 -9.013 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.178 -5.733 -11.128 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.833 -3.773 -10.305 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.216 -4.841 -10.186 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.826 -3.257 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.445 -4.947 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.314 -5.207 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.929 -6.242 -7.672 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.270 -3.903 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.582 -5.146 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.444 -3.424 -8.027 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.770 -6.611 -8.370 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.456 -6.780 -7.786 1.00 0.00 C ATOM 1620 C LEU B 45 -0.632 -7.411 -8.891 1.00 0.00 C ATOM 1621 O LEU B 45 0.546 -7.121 -9.085 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.513 -7.731 -6.581 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.165 -8.444 -6.394 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.929 -7.409 -6.143 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.247 -9.425 -5.216 1.00 0.00 C ATOM 0 H LEU B 45 -3.518 -7.126 -7.905 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.044 -5.836 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.763 -7.171 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.303 -8.467 -6.728 1.00 0.00 H new ATOM 0 HG LEU B 45 0.074 -9.005 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.885 -7.915 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.992 -6.732 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.692 -6.840 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.713 -9.925 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.493 -8.880 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.020 -10.168 -5.414 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.327 -8.259 -9.639 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.731 -8.929 -10.774 1.00 0.00 C ATOM 1639 C ALA B 46 -0.364 -7.860 -11.793 1.00 0.00 C ATOM 1640 O ALA B 46 0.737 -7.849 -12.336 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.724 -9.933 -11.381 1.00 0.00 C ATOM 0 H ALA B 46 -2.306 -8.495 -9.475 1.00 0.00 H new ATOM 0 HA ALA B 46 0.156 -9.485 -10.470 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.263 -10.430 -12.234 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -1.995 -10.676 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.620 -9.406 -11.709 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.302 -6.926 -11.985 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.111 -5.795 -12.879 1.00 0.00 C ATOM 1649 C GLU B 47 0.065 -4.955 -12.404 1.00 0.00 C ATOM 1650 O GLU B 47 0.767 -4.348 -13.203 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.359 -4.892 -12.897 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.554 -5.593 -13.533 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.226 -6.072 -14.950 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.812 -5.255 -15.758 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.393 -7.253 -15.205 1.00 0.00 O ATOM 0 H GLU B 47 -2.211 -6.939 -11.523 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.927 -6.189 -13.879 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.610 -4.598 -11.878 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.138 -3.977 -13.448 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.850 -6.443 -12.918 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.404 -4.912 -13.564 1.00 0.00 H new ATOM 1662 N ALA B 48 0.242 -4.909 -11.084 1.00 0.00 N ATOM 1663 CA ALA B 48 1.296 -4.130 -10.476 1.00 0.00 C ATOM 1664 C ALA B 48 2.628 -4.782 -10.695 1.00 0.00 C ATOM 1665 O ALA B 48 3.571 -4.158 -11.146 1.00 0.00 O ATOM 1666 CB ALA B 48 1.032 -4.096 -8.990 1.00 0.00 C ATOM 0 H ALA B 48 -0.343 -5.412 -10.417 1.00 0.00 H new ATOM 0 HA ALA B 48 1.313 -3.132 -10.914 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.810 -3.515 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.061 -3.636 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.034 -5.113 -8.597 1.00 0.00 H new ATOM 1672 N LYS B 49 2.672 -6.060 -10.403 1.00 0.00 N ATOM 1673 CA LYS B 49 3.879 -6.827 -10.603 1.00 0.00 C ATOM 1674 C LYS B 49 4.237 -6.763 -12.086 1.00 0.00 C ATOM 1675 O LYS B 49 5.402 -6.653 -12.452 1.00 0.00 O ATOM 1676 CB LYS B 49 3.647 -8.252 -10.108 1.00 0.00 C ATOM 1677 CG LYS B 49 3.746 -8.302 -8.583 1.00 0.00 C ATOM 1678 CD LYS B 49 3.851 -9.765 -8.127 1.00 0.00 C ATOM 1679 CE LYS B 49 2.523 -10.494 -8.366 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.406 -11.633 -7.412 1.00 0.00 N ATOM 0 H LYS B 49 1.887 -6.591 -10.026 1.00 0.00 H new ATOM 0 HA LYS B 49 4.719 -6.425 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.665 -8.601 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.383 -8.923 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.617 -7.741 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.871 -7.832 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.652 -10.266 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.111 -9.806 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.688 -9.806 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.475 -10.858 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.498 -12.119 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.187 -12.301 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.451 -11.275 -6.437 1.00 0.00 H new ATOM 1694 N LYS B 50 3.192 -6.753 -12.913 1.00 0.00 N ATOM 1695 CA LYS B 50 3.326 -6.621 -14.361 1.00 0.00 C ATOM 1696 C LYS B 50 3.777 -5.216 -14.728 1.00 0.00 C ATOM 1697 O LYS B 50 4.571 -5.034 -15.642 1.00 0.00 O ATOM 1698 CB LYS B 50 1.986 -6.888 -15.036 1.00 0.00 C ATOM 1699 CG LYS B 50 1.694 -8.398 -15.075 1.00 0.00 C ATOM 1700 CD LYS B 50 0.200 -8.640 -15.357 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.205 -7.989 -16.687 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.583 -8.420 -17.051 1.00 0.00 N ATOM 0 H LYS B 50 2.226 -6.837 -12.595 1.00 0.00 H new ATOM 0 HA LYS B 50 4.068 -7.345 -14.699 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.191 -6.372 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.996 -6.487 -16.050 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.300 -8.874 -15.846 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.972 -8.855 -14.125 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.001 -9.711 -15.393 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.401 -8.229 -14.546 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.163 -6.903 -16.600 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.496 -8.274 -17.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.801 -8.106 -18.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.647 -9.457 -17.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.265 -7.999 -16.388 1.00 0.00 H new ATOM 1716 N LEU B 51 3.253 -4.220 -14.013 1.00 0.00 N ATOM 1717 CA LEU B 51 3.618 -2.830 -14.277 1.00 0.00 C ATOM 1718 C LEU B 51 5.047 -2.614 -13.877 1.00 0.00 C ATOM 1719 O LEU B 51 5.821 -1.974 -14.585 1.00 0.00 O ATOM 1720 CB LEU B 51 2.709 -1.872 -13.499 1.00 0.00 C ATOM 1721 CG LEU B 51 1.779 -1.146 -14.467 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.599 -0.128 -15.274 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.099 -2.164 -15.407 1.00 0.00 C ATOM 0 H LEU B 51 2.582 -4.348 -13.255 1.00 0.00 H new ATOM 0 HA LEU B 51 3.495 -2.627 -15.341 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.125 -2.426 -12.764 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.312 -1.150 -12.948 1.00 0.00 H new ATOM 0 HG LEU B 51 1.000 -0.622 -13.913 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.944 0.397 -15.970 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.057 0.590 -14.594 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.378 -0.648 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.437 -1.638 -16.095 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.860 -2.700 -15.974 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.519 -2.874 -14.817 1.00 0.00 H new ATOM 1735 N ASN B 52 5.393 -3.207 -12.754 1.00 0.00 N ATOM 1736 CA ASN B 52 6.750 -3.147 -12.267 1.00 0.00 C ATOM 1737 C ASN B 52 7.619 -3.804 -13.311 1.00 0.00 C ATOM 1738 O ASN B 52 8.703 -3.326 -13.637 1.00 0.00 O ATOM 1739 CB ASN B 52 6.860 -3.880 -10.933 1.00 0.00 C ATOM 1740 CG ASN B 52 8.321 -4.100 -10.561 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.879 -3.379 -9.736 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.973 -5.059 -11.139 1.00 0.00 N ATOM 0 H ASN B 52 4.751 -3.736 -12.163 1.00 0.00 H new ATOM 0 HA ASN B 52 7.065 -2.117 -12.100 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.363 -3.303 -10.153 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.347 -4.839 -10.996 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.954 -5.219 -10.910 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.505 -5.654 -11.823 1.00 0.00 H new ATOM 1749 N ASP B 53 7.083 -4.889 -13.862 1.00 0.00 N ATOM 1750 CA ASP B 53 7.763 -5.614 -14.923 1.00 0.00 C ATOM 1751 C ASP B 53 7.820 -4.739 -16.171 1.00 0.00 C ATOM 1752 O ASP B 53 8.797 -4.758 -16.923 1.00 0.00 O ATOM 1753 CB ASP B 53 7.031 -6.930 -15.234 1.00 0.00 C ATOM 1754 CG ASP B 53 7.154 -7.934 -14.076 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.025 -7.760 -13.231 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.365 -8.863 -14.047 1.00 0.00 O ATOM 0 H ASP B 53 6.182 -5.282 -13.590 1.00 0.00 H new ATOM 0 HA ASP B 53 8.775 -5.856 -14.598 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.978 -6.724 -15.428 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.442 -7.370 -16.143 1.00 0.00 H new ATOM 1761 N ALA B 54 6.751 -3.965 -16.369 1.00 0.00 N ATOM 1762 CA ALA B 54 6.640 -3.064 -17.506 1.00 0.00 C ATOM 1763 C ALA B 54 7.683 -1.954 -17.410 1.00 0.00 C ATOM 1764 O ALA B 54 8.273 -1.554 -18.416 1.00 0.00 O ATOM 1765 CB ALA B 54 5.234 -2.461 -17.533 1.00 0.00 C ATOM 0 H ALA B 54 5.944 -3.949 -15.746 1.00 0.00 H new ATOM 0 HA ALA B 54 6.817 -3.622 -18.425 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.144 -1.785 -18.383 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.497 -3.259 -17.625 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.057 -1.909 -16.610 1.00 0.00 H new ATOM 1771 N GLN B 55 7.904 -1.471 -16.186 1.00 0.00 N ATOM 1772 CA GLN B 55 8.878 -0.412 -15.939 1.00 0.00 C ATOM 1773 C GLN B 55 10.256 -0.989 -15.619 1.00 0.00 C ATOM 1774 O GLN B 55 11.230 -0.245 -15.486 1.00 0.00 O ATOM 1775 CB GLN B 55 8.398 0.431 -14.777 1.00 0.00 C ATOM 1776 CG GLN B 55 7.109 1.158 -15.156 1.00 0.00 C ATOM 1777 CD GLN B 55 6.278 1.392 -13.907 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.993 2.532 -13.547 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.879 0.362 -13.216 1.00 0.00 N ATOM 0 H GLN B 55 7.419 -1.799 -15.350 1.00 0.00 H new ATOM 0 HA GLN B 55 8.970 0.196 -16.839 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.226 -0.201 -13.905 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.165 1.154 -14.500 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.342 2.109 -15.635 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.544 0.568 -15.877 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.120 -0.581 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.326 0.499 -12.370 1.00 0.00 H new ATOM 1788 N ALA B 56 10.328 -2.315 -15.490 1.00 0.00 N ATOM 1789 CA ALA B 56 11.593 -2.984 -15.176 1.00 0.00 C ATOM 1790 C ALA B 56 12.596 -2.824 -16.306 1.00 0.00 C ATOM 1791 O ALA B 56 12.232 -2.448 -17.424 1.00 0.00 O ATOM 1792 CB ALA B 56 11.369 -4.475 -14.923 1.00 0.00 C ATOM 0 H ALA B 56 9.532 -2.944 -15.597 1.00 0.00 H new ATOM 0 HA ALA B 56 11.990 -2.515 -14.276 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.321 -4.952 -14.692 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.686 -4.603 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.940 -4.935 -15.813 1.00 0.00 H new ATOM 1798 N PRO B 57 13.849 -3.099 -16.033 1.00 0.00 N ATOM 1799 CA PRO B 57 14.932 -2.984 -17.027 1.00 0.00 C ATOM 1800 C PRO B 57 15.005 -4.220 -17.919 1.00 0.00 C ATOM 1801 O PRO B 57 14.270 -5.190 -17.718 1.00 0.00 O ATOM 1802 CB PRO B 57 16.202 -2.832 -16.168 1.00 0.00 C ATOM 1803 CG PRO B 57 15.758 -2.893 -14.740 1.00 0.00 C ATOM 1804 CD PRO B 57 14.397 -3.557 -14.755 1.00 0.00 C ATOM 0 HA PRO B 57 14.786 -2.149 -17.712 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.916 -3.626 -16.387 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.702 -1.887 -16.379 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.464 -3.463 -14.136 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.701 -1.895 -14.306 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.473 -4.643 -14.709 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.781 -3.245 -13.912 1.00 0.00 H new ATOM 1812 N LYS B 58 15.888 -4.161 -18.906 1.00 0.00 N ATOM 1813 CA LYS B 58 16.070 -5.256 -19.850 1.00 0.00 C ATOM 1814 C LYS B 58 17.552 -5.617 -19.979 1.00 0.00 C ATOM 1815 O LYS B 58 17.855 -6.799 -19.999 1.00 0.00 O ATOM 1816 CB LYS B 58 15.515 -4.845 -21.210 1.00 0.00 C ATOM 1817 CG LYS B 58 13.999 -5.098 -21.267 1.00 0.00 C ATOM 1818 CD LYS B 58 13.236 -3.827 -20.857 1.00 0.00 C ATOM 1819 CE LYS B 58 11.807 -4.186 -20.430 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.819 -4.693 -19.027 1.00 0.00 N ATOM 1821 OXT LYS B 58 18.362 -4.706 -20.058 1.00 0.00 O ATOM 0 H LYS B 58 16.495 -3.359 -19.075 1.00 0.00 H new ATOM 0 HA LYS B 58 15.535 -6.132 -19.484 1.00 0.00 H new ATOM 0 HB2 LYS B 58 15.721 -3.790 -21.391 1.00 0.00 H new ATOM 0 HB3 LYS B 58 16.014 -5.407 -21.999 1.00 0.00 H new ATOM 0 HG2 LYS B 58 13.710 -5.396 -22.275 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.734 -5.921 -20.603 1.00 0.00 H new ATOM 0 HD2 LYS B 58 13.755 -3.330 -20.037 1.00 0.00 H new ATOM 0 HD3 LYS B 58 13.210 -3.124 -21.690 1.00 0.00 H new ATOM 0 HE2 LYS B 58 11.163 -3.310 -20.506 1.00 0.00 H new ATOM 0 HE3 LYS B 58 11.396 -4.943 -21.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.067 -5.401 -18.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 12.741 -5.129 -18.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 11.657 -3.903 -18.371 1.00 0.00 H new TER 1835 LYS B 58