USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 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 :FLIP amide:sc= -1.42 F(o=-6.1!,f=-3.7) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -2.26 F(o=-10!,f=-3.7) USER MOD Set 2.1: B 3 ASN : amide:sc= -0.761 K(o=-0.057,f=-5.7) USER MOD Set 2.2: B 39 SER OG : rot 45:sc= 0.704 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -0.308 F(o=-17!,f=-1.1) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -0.774 F(o=-4.7!,f=-1.1) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.6 F(o=-15!,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.52! C(o=-11!,f=-20!) USER MOD Set 5.1: A 28 LYS NZ :NH3+ 137:sc= -2.19 (180deg=-6.87!) USER MOD Set 5.2: B 23 ASN : amide:sc= -9.31! C(o=-11!,f=-21!) USER MOD Set 5.3: B 24 SER OG : rot -174:sc= 0.523 USER MOD Set 6.1: A 23 ASN : amide:sc= -5.67! C(o=-10!,f=-17!) USER MOD Set 6.2: A 26 GLN :FLIP amide:sc= -1.88 F(o=-11,f=-10) USER MOD Set 6.3: A 55 GLN :FLIP amide:sc= -2.56! C(o=-14!,f=-10!) USER MOD Set 7.1: A 13 THR OG1 : rot 121:sc= -2.47 USER MOD Set 7.2: B 17 MET CE :methyl -127:sc= -11.9! (180deg=-12!) USER MOD Single : A 1 VAL N :NH3+ -114:sc= -0.754 (180deg=-0.953) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 4 LYS NZ :NH3+ -110:sc= -0.556 (180deg=-2.08!) USER MOD Single : A 6 ASN : amide:sc= -3.36 K(o=-3.4,f=-8.8!) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.353 (180deg=-3.67!) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.24 F(o=-5.6!,f=-3.2) USER MOD Single : A 33 SER OG : rot 75:sc= 0.998 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 SER OG : rot -149:sc= -8.18! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -1.68 (180deg=-2.53!) USER MOD Single : A 58 LYS NZ :NH3+ -136:sc= 2.1 (180deg=-0.887) USER MOD Single : B 1 VAL N :NH3+ -162:sc= -1.09 (180deg=-1.76) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -0.688! X(o=-0.69!,f=-1.2) USER MOD Single : B 7 LYS NZ :NH3+ -120:sc= 1.24 (180deg=-0.492) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 33 SER OG : rot 75:sc= 1.05 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.445 F(o=-2.6,f=-0.45) USER MOD Single : B 41 SER OG : rot 141:sc= -1.55 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -178:sc= -2.04 (180deg=-2.1) USER MOD Single : B 50 LYS NZ :NH3+ 178:sc= -1.38! (180deg=-1.54!) USER MOD Single : B 58 LYS NZ :NH3+ 177:sc= -1.33 (180deg=-1.39) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.423 -17.098 3.731 1.00 0.00 N ATOM 2 CA VAL A 1 11.036 -16.043 4.591 1.00 0.00 C ATOM 3 C VAL A 1 9.934 -15.291 5.338 1.00 0.00 C ATOM 4 O VAL A 1 8.745 -15.548 5.134 1.00 0.00 O ATOM 5 CB VAL A 1 11.851 -15.067 3.719 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.019 -15.812 3.059 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.954 -14.454 2.629 1.00 0.00 C ATOM 0 H1 VAL A 1 10.702 -18.037 4.081 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.387 -17.011 3.760 1.00 0.00 H new ATOM 0 H3 VAL A 1 10.752 -16.982 2.751 1.00 0.00 H new ATOM 0 HA VAL A 1 11.705 -16.507 5.316 1.00 0.00 H new ATOM 0 HB VAL A 1 12.239 -14.270 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.592 -15.118 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.665 -16.232 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 1 12.631 -16.616 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.540 -13.766 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.554 -15.248 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.131 -13.913 3.097 1.00 0.00 H new ATOM 19 N ASP A 2 10.342 -14.354 6.197 1.00 0.00 N ATOM 20 CA ASP A 2 9.390 -13.560 6.968 1.00 0.00 C ATOM 21 C ASP A 2 8.741 -12.499 6.083 1.00 0.00 C ATOM 22 O ASP A 2 9.412 -11.589 5.597 1.00 0.00 O ATOM 23 CB ASP A 2 10.101 -12.885 8.147 1.00 0.00 C ATOM 24 CG ASP A 2 9.110 -12.029 8.936 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.413 -12.579 9.772 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.057 -10.837 8.683 1.00 0.00 O ATOM 0 H ASP A 2 11.321 -14.129 6.374 1.00 0.00 H new ATOM 0 HA ASP A 2 8.614 -14.224 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.540 -13.641 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.919 -12.265 7.782 1.00 0.00 H new ATOM 31 N ASN A 3 7.431 -12.633 5.888 1.00 0.00 N ATOM 32 CA ASN A 3 6.670 -11.691 5.067 1.00 0.00 C ATOM 33 C ASN A 3 5.912 -10.694 5.947 1.00 0.00 C ATOM 34 O ASN A 3 5.062 -9.948 5.457 1.00 0.00 O ATOM 35 CB ASN A 3 5.687 -12.463 4.178 1.00 0.00 C ATOM 36 CG ASN A 3 6.443 -13.444 3.284 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.460 -13.088 2.686 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.009 -14.667 3.161 1.00 0.00 N ATOM 0 H ASN A 3 6.872 -13.387 6.288 1.00 0.00 H new ATOM 0 HA ASN A 3 7.364 -11.132 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.971 -13.002 4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.116 -11.766 3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.511 -15.329 2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.167 -14.962 3.656 1.00 0.00 H new ATOM 45 N LYS A 4 6.223 -10.686 7.249 1.00 0.00 N ATOM 46 CA LYS A 4 5.567 -9.780 8.185 1.00 0.00 C ATOM 47 C LYS A 4 5.777 -8.331 7.752 1.00 0.00 C ATOM 48 O LYS A 4 4.842 -7.528 7.767 1.00 0.00 O ATOM 49 CB LYS A 4 6.149 -10.002 9.581 1.00 0.00 C ATOM 50 CG LYS A 4 5.311 -9.277 10.638 1.00 0.00 C ATOM 51 CD LYS A 4 6.114 -9.193 11.941 1.00 0.00 C ATOM 52 CE LYS A 4 6.140 -10.559 12.641 1.00 0.00 C ATOM 53 NZ LYS A 4 7.269 -11.374 12.106 1.00 0.00 N ATOM 0 H LYS A 4 6.923 -11.296 7.672 1.00 0.00 H new ATOM 0 HA LYS A 4 4.496 -9.982 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.179 -11.069 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.177 -9.641 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.051 -8.277 10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.375 -9.809 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.132 -8.867 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.672 -8.447 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.252 -10.425 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.195 -11.079 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.892 -12.159 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.877 -10.776 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.826 -11.756 12.896 1.00 0.00 H new ATOM 67 N PHE A 5 7.012 -8.015 7.353 1.00 0.00 N ATOM 68 CA PHE A 5 7.350 -6.675 6.900 1.00 0.00 C ATOM 69 C PHE A 5 6.537 -6.326 5.654 1.00 0.00 C ATOM 70 O PHE A 5 6.074 -5.201 5.514 1.00 0.00 O ATOM 71 CB PHE A 5 8.861 -6.571 6.608 1.00 0.00 C ATOM 72 CG PHE A 5 9.179 -7.122 5.230 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.281 -8.504 5.033 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.361 -6.246 4.149 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.565 -9.011 3.760 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.647 -6.754 2.877 1.00 0.00 C ATOM 77 CZ PHE A 5 9.749 -8.137 2.683 1.00 0.00 C ATOM 0 H PHE A 5 7.791 -8.674 7.337 1.00 0.00 H new ATOM 0 HA PHE A 5 7.105 -5.963 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.178 -5.530 6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.421 -7.121 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.140 -9.179 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.280 -5.179 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.642 -10.078 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.789 -6.080 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.970 -8.529 1.701 1.00 0.00 H new ATOM 87 N ASN A 6 6.365 -7.310 4.760 1.00 0.00 N ATOM 88 CA ASN A 6 5.591 -7.104 3.539 1.00 0.00 C ATOM 89 C ASN A 6 4.141 -6.849 3.878 1.00 0.00 C ATOM 90 O ASN A 6 3.518 -5.937 3.338 1.00 0.00 O ATOM 91 CB ASN A 6 5.661 -8.348 2.658 1.00 0.00 C ATOM 92 CG ASN A 6 4.832 -8.158 1.396 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.932 -7.135 0.736 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.004 -9.094 1.032 1.00 0.00 N ATOM 0 H ASN A 6 6.751 -8.249 4.863 1.00 0.00 H new ATOM 0 HA ASN A 6 6.009 -6.246 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.698 -8.553 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.297 -9.213 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.436 -8.975 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.923 -9.947 1.586 1.00 0.00 H new ATOM 101 N LYS A 7 3.612 -7.660 4.788 1.00 0.00 N ATOM 102 CA LYS A 7 2.237 -7.514 5.197 1.00 0.00 C ATOM 103 C LYS A 7 2.081 -6.155 5.843 1.00 0.00 C ATOM 104 O LYS A 7 1.102 -5.468 5.619 1.00 0.00 O ATOM 105 CB LYS A 7 1.839 -8.632 6.168 1.00 0.00 C ATOM 106 CG LYS A 7 0.310 -8.739 6.210 1.00 0.00 C ATOM 107 CD LYS A 7 -0.118 -10.021 6.935 1.00 0.00 C ATOM 108 CE LYS A 7 -1.283 -10.669 6.179 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.495 -9.806 6.294 1.00 0.00 N ATOM 0 H LYS A 7 4.117 -8.417 5.248 1.00 0.00 H new ATOM 0 HA LYS A 7 1.579 -7.590 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.274 -9.579 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.229 -8.422 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.108 -7.870 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.089 -8.737 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.721 -10.714 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.417 -9.791 7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.019 -10.805 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.489 -11.659 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.077 -9.909 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.049 -10.094 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.205 -8.813 6.398 1.00 0.00 H new ATOM 123 N GLU A 8 3.085 -5.761 6.620 1.00 0.00 N ATOM 124 CA GLU A 8 3.063 -4.460 7.269 1.00 0.00 C ATOM 125 C GLU A 8 3.269 -3.352 6.244 1.00 0.00 C ATOM 126 O GLU A 8 2.604 -2.324 6.289 1.00 0.00 O ATOM 127 CB GLU A 8 4.131 -4.396 8.363 1.00 0.00 C ATOM 128 CG GLU A 8 4.162 -2.996 9.004 1.00 0.00 C ATOM 129 CD GLU A 8 5.378 -2.856 9.919 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.377 -3.471 10.974 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.295 -2.135 9.552 1.00 0.00 O ATOM 0 H GLU A 8 3.916 -6.320 6.813 1.00 0.00 H new ATOM 0 HA GLU A 8 2.088 -4.316 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.925 -5.147 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.108 -4.631 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.195 -2.233 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.248 -2.830 9.575 1.00 0.00 H new ATOM 138 N LEU A 9 4.160 -3.600 5.299 1.00 0.00 N ATOM 139 CA LEU A 9 4.424 -2.647 4.222 1.00 0.00 C ATOM 140 C LEU A 9 3.121 -2.427 3.485 1.00 0.00 C ATOM 141 O LEU A 9 2.770 -1.305 3.137 1.00 0.00 O ATOM 142 CB LEU A 9 5.506 -3.218 3.288 1.00 0.00 C ATOM 143 CG LEU A 9 5.668 -2.343 2.033 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.497 -1.088 2.308 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.370 -3.145 0.960 1.00 0.00 C ATOM 0 H LEU A 9 4.716 -4.454 5.251 1.00 0.00 H new ATOM 0 HA LEU A 9 4.791 -1.696 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.456 -3.277 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.240 -4.234 2.996 1.00 0.00 H new ATOM 0 HG LEU A 9 4.671 -2.035 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.584 -0.502 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.008 -0.490 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.491 -1.376 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.489 -2.532 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.351 -3.455 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.777 -4.027 0.718 1.00 0.00 H new ATOM 157 N GLY A 10 2.387 -3.510 3.305 1.00 0.00 N ATOM 158 CA GLY A 10 1.109 -3.442 2.672 1.00 0.00 C ATOM 159 C GLY A 10 0.076 -2.865 3.617 1.00 0.00 C ATOM 160 O GLY A 10 -0.775 -2.075 3.222 1.00 0.00 O ATOM 0 H GLY A 10 2.668 -4.447 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.174 -2.826 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.802 -4.438 2.353 1.00 0.00 H new ATOM 164 N TRP A 11 0.117 -3.300 4.869 1.00 0.00 N ATOM 165 CA TRP A 11 -0.871 -2.835 5.812 1.00 0.00 C ATOM 166 C TRP A 11 -0.726 -1.389 6.171 1.00 0.00 C ATOM 167 O TRP A 11 -1.696 -0.642 6.094 1.00 0.00 O ATOM 168 CB TRP A 11 -0.960 -3.689 7.066 1.00 0.00 C ATOM 169 CG TRP A 11 -2.413 -3.755 7.462 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.854 -3.762 8.729 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.625 -3.780 6.607 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.237 -3.831 8.722 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.754 -3.832 7.444 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.854 -3.775 5.205 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.052 -3.869 6.926 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.142 -3.808 4.682 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.247 -3.854 5.538 1.00 0.00 C ATOM 0 H TRP A 11 0.805 -3.955 5.241 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.814 -2.942 5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.567 -4.688 6.879 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.362 -3.257 7.868 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.232 -3.721 9.611 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.808 -3.876 9.566 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.010 -3.745 4.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.901 -3.909 7.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.289 -3.798 3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.247 -3.878 5.131 1.00 0.00 H new ATOM 188 N ALA A 12 0.461 -0.984 6.562 1.00 0.00 N ATOM 189 CA ALA A 12 0.655 0.394 6.921 1.00 0.00 C ATOM 190 C ALA A 12 0.279 1.266 5.721 1.00 0.00 C ATOM 191 O ALA A 12 -0.347 2.306 5.880 1.00 0.00 O ATOM 192 CB ALA A 12 2.093 0.625 7.378 1.00 0.00 C ATOM 0 H ALA A 12 1.287 -1.577 6.637 1.00 0.00 H new ATOM 0 HA ALA A 12 0.014 0.665 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.225 1.673 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.304 -0.001 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.777 0.369 6.569 1.00 0.00 H new ATOM 198 N THR A 13 0.591 0.776 4.507 1.00 0.00 N ATOM 199 CA THR A 13 0.210 1.470 3.280 1.00 0.00 C ATOM 200 C THR A 13 -1.296 1.683 3.278 1.00 0.00 C ATOM 201 O THR A 13 -1.770 2.783 3.015 1.00 0.00 O ATOM 202 CB THR A 13 0.621 0.603 2.089 1.00 0.00 C ATOM 203 OG1 THR A 13 1.990 0.813 1.829 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.198 0.948 0.846 1.00 0.00 C ATOM 0 H THR A 13 1.103 -0.093 4.358 1.00 0.00 H new ATOM 0 HA THR A 13 0.705 2.439 3.215 1.00 0.00 H new ATOM 0 HB THR A 13 0.436 -0.443 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.472 -0.037 1.908 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.117 0.316 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.256 0.781 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.040 1.994 0.585 1.00 0.00 H new ATOM 212 N TRP A 14 -2.021 0.616 3.598 1.00 0.00 N ATOM 213 CA TRP A 14 -3.477 0.646 3.658 1.00 0.00 C ATOM 214 C TRP A 14 -3.973 1.538 4.786 1.00 0.00 C ATOM 215 O TRP A 14 -4.892 2.323 4.605 1.00 0.00 O ATOM 216 CB TRP A 14 -3.979 -0.766 3.909 1.00 0.00 C ATOM 217 CG TRP A 14 -5.452 -0.848 3.682 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.383 -0.860 4.664 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.181 -0.948 2.426 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.632 -0.990 4.095 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.559 -1.046 2.722 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.793 -0.972 1.071 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.506 -1.171 1.718 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.744 -1.096 0.072 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.088 -1.199 0.392 1.00 0.00 C ATOM 0 H TRP A 14 -1.616 -0.293 3.823 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.851 1.042 2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.464 -1.464 3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.746 -1.064 4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.180 -0.781 5.722 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.502 -1.039 4.626 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.748 -0.893 0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.555 -1.246 1.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.436 -1.113 -0.963 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.819 -1.302 -0.397 1.00 0.00 H new ATOM 236 N GLU A 15 -3.368 1.389 5.956 1.00 0.00 N ATOM 237 CA GLU A 15 -3.764 2.166 7.123 1.00 0.00 C ATOM 238 C GLU A 15 -3.583 3.659 6.839 1.00 0.00 C ATOM 239 O GLU A 15 -4.434 4.475 7.199 1.00 0.00 O ATOM 240 CB GLU A 15 -2.941 1.702 8.326 1.00 0.00 C ATOM 241 CG GLU A 15 -3.311 0.239 8.653 1.00 0.00 C ATOM 242 CD GLU A 15 -2.327 -0.344 9.664 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.548 -0.166 10.850 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.367 -0.966 9.235 1.00 0.00 O ATOM 0 H GLU A 15 -2.601 0.737 6.123 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.818 2.008 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.876 1.781 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.138 2.342 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.324 0.194 9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.302 -0.358 7.741 1.00 0.00 H new ATOM 251 N ILE A 16 -2.504 3.992 6.125 1.00 0.00 N ATOM 252 CA ILE A 16 -2.249 5.375 5.712 1.00 0.00 C ATOM 253 C ILE A 16 -3.290 5.748 4.649 1.00 0.00 C ATOM 254 O ILE A 16 -3.807 6.865 4.614 1.00 0.00 O ATOM 255 CB ILE A 16 -0.826 5.485 5.114 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.229 5.159 6.182 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.570 6.900 4.589 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.596 4.909 5.524 1.00 0.00 C ATOM 0 H ILE A 16 -1.795 3.325 5.822 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.321 6.049 6.566 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.753 4.772 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.305 5.983 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.076 4.279 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.436 6.957 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.298 7.138 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.665 7.614 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.333 4.679 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.519 4.070 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.906 5.801 4.979 1.00 0.00 H new ATOM 270 N PHE A 17 -3.591 4.760 3.800 1.00 0.00 N ATOM 271 CA PHE A 17 -4.577 4.893 2.724 1.00 0.00 C ATOM 272 C PHE A 17 -5.963 5.156 3.315 1.00 0.00 C ATOM 273 O PHE A 17 -6.776 5.883 2.742 1.00 0.00 O ATOM 274 CB PHE A 17 -4.614 3.567 1.947 1.00 0.00 C ATOM 275 CG PHE A 17 -4.893 3.766 0.479 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.831 3.976 -0.411 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.203 3.678 0.000 1.00 0.00 C ATOM 278 CE1 PHE A 17 -4.081 4.105 -1.776 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.454 3.798 -1.368 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.393 4.012 -2.256 1.00 0.00 C ATOM 0 H PHE A 17 -3.154 3.839 3.841 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.304 5.722 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.660 3.053 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.380 2.920 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.819 4.038 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.020 3.517 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.265 4.276 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.465 3.726 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.587 4.106 -3.314 1.00 0.00 H new ATOM 290 N ASN A 18 -6.218 4.513 4.458 1.00 0.00 N ATOM 291 CA ASN A 18 -7.501 4.612 5.149 1.00 0.00 C ATOM 292 C ASN A 18 -7.545 5.770 6.149 1.00 0.00 C ATOM 293 O ASN A 18 -8.561 5.946 6.828 1.00 0.00 O ATOM 294 CB ASN A 18 -7.784 3.295 5.891 1.00 0.00 C ATOM 295 CG ASN A 18 -8.104 2.169 4.907 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.338 1.972 3.872 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.082 1.444 5.090 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.541 3.911 4.927 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.261 4.803 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.919 3.020 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.620 3.432 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.684 1.595 5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.290 0.692 4.432 1.00 0.00 H new ATOM 304 N LEU A 19 -6.473 6.569 6.248 1.00 0.00 N ATOM 305 CA LEU A 19 -6.494 7.685 7.188 1.00 0.00 C ATOM 306 C LEU A 19 -7.467 8.748 6.672 1.00 0.00 C ATOM 307 O LEU A 19 -7.455 9.068 5.481 1.00 0.00 O ATOM 308 CB LEU A 19 -5.101 8.286 7.391 1.00 0.00 C ATOM 309 CG LEU A 19 -4.437 7.689 8.648 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.070 8.303 8.813 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.231 8.009 9.919 1.00 0.00 C ATOM 0 H LEU A 19 -5.613 6.466 5.709 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.824 7.316 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.482 8.089 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.176 9.369 7.491 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.392 6.608 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.590 7.889 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.463 8.082 7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.167 9.383 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.729 7.570 10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.294 9.090 10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.236 7.595 9.834 1.00 0.00 H new ATOM 323 N PRO A 20 -8.340 9.259 7.514 1.00 0.00 N ATOM 324 CA PRO A 20 -9.374 10.251 7.105 1.00 0.00 C ATOM 325 C PRO A 20 -8.896 11.705 7.007 1.00 0.00 C ATOM 326 O PRO A 20 -9.742 12.603 6.996 1.00 0.00 O ATOM 327 CB PRO A 20 -10.445 10.123 8.212 1.00 0.00 C ATOM 328 CG PRO A 20 -9.963 9.074 9.162 1.00 0.00 C ATOM 329 CD PRO A 20 -8.468 8.974 8.949 1.00 0.00 C ATOM 0 HA PRO A 20 -9.715 10.033 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.585 11.074 8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.409 9.845 7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.193 9.345 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.450 8.118 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.921 9.694 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.086 7.986 9.204 1.00 0.00 H new ATOM 337 N ASN A 21 -7.577 11.975 6.954 1.00 0.00 N ATOM 338 CA ASN A 21 -7.155 13.393 6.890 1.00 0.00 C ATOM 339 C ASN A 21 -5.907 13.630 6.046 1.00 0.00 C ATOM 340 O ASN A 21 -5.495 14.778 5.872 1.00 0.00 O ATOM 341 CB ASN A 21 -6.926 13.932 8.306 1.00 0.00 C ATOM 342 CG ASN A 21 -8.215 13.864 9.121 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.421 12.852 9.915 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.060 14.752 9.020 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.827 11.284 6.954 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.967 13.929 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.146 13.353 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.575 14.963 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.896 15.543 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.924 14.697 9.559 1.00 0.00 H new ATOM 351 N LEU A 22 -5.306 12.572 5.520 1.00 0.00 N ATOM 352 CA LEU A 22 -4.105 12.734 4.700 1.00 0.00 C ATOM 353 C LEU A 22 -4.440 13.170 3.287 1.00 0.00 C ATOM 354 O LEU A 22 -5.511 12.854 2.763 1.00 0.00 O ATOM 355 CB LEU A 22 -3.323 11.430 4.644 1.00 0.00 C ATOM 356 CG LEU A 22 -2.878 11.039 6.050 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.113 9.732 5.976 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.957 12.111 6.633 1.00 0.00 C ATOM 0 H LEU A 22 -5.619 11.609 5.640 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.501 13.512 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.941 10.642 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.455 11.543 3.995 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.758 10.936 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.790 9.443 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.758 8.956 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.241 9.857 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.648 11.818 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.077 12.219 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.489 13.061 6.680 1.00 0.00 H new ATOM 370 N ASN A 23 -3.496 13.883 2.668 1.00 0.00 N ATOM 371 CA ASN A 23 -3.673 14.346 1.302 1.00 0.00 C ATOM 372 C ASN A 23 -3.069 13.307 0.355 1.00 0.00 C ATOM 373 O ASN A 23 -2.211 12.521 0.765 1.00 0.00 O ATOM 374 CB ASN A 23 -3.031 15.741 1.128 1.00 0.00 C ATOM 375 CG ASN A 23 -1.616 15.652 0.565 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.445 15.468 -0.630 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.589 15.784 1.351 1.00 0.00 N ATOM 0 H ASN A 23 -2.608 14.148 3.094 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.731 14.454 1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.649 16.344 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.007 16.252 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.355 15.734 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.728 15.938 2.350 1.00 0.00 H new ATOM 384 N GLY A 24 -3.538 13.290 -0.891 1.00 0.00 N ATOM 385 CA GLY A 24 -3.057 12.319 -1.877 1.00 0.00 C ATOM 386 C GLY A 24 -1.533 12.215 -1.889 1.00 0.00 C ATOM 387 O GLY A 24 -0.984 11.115 -1.910 1.00 0.00 O ATOM 0 H GLY A 24 -4.247 13.933 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.484 11.340 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.408 12.606 -2.868 1.00 0.00 H new ATOM 391 N VAL A 25 -0.860 13.363 -1.862 1.00 0.00 N ATOM 392 CA VAL A 25 0.601 13.398 -1.867 1.00 0.00 C ATOM 393 C VAL A 25 1.174 12.809 -0.592 1.00 0.00 C ATOM 394 O VAL A 25 2.126 12.039 -0.657 1.00 0.00 O ATOM 395 CB VAL A 25 1.106 14.832 -2.039 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.641 14.846 -2.029 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.596 15.376 -3.373 1.00 0.00 C ATOM 0 H VAL A 25 -1.303 14.282 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 25 0.937 12.793 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 25 0.741 15.453 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.996 15.869 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.002 14.448 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.016 14.231 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.949 16.398 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.968 14.753 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.494 15.365 -3.378 1.00 0.00 H new ATOM 407 N GLN A 26 0.611 13.167 0.566 1.00 0.00 N ATOM 408 CA GLN A 26 1.129 12.629 1.816 1.00 0.00 C ATOM 409 C GLN A 26 0.980 11.118 1.841 1.00 0.00 C ATOM 410 O GLN A 26 1.918 10.410 2.201 1.00 0.00 O ATOM 411 CB GLN A 26 0.433 13.274 3.014 1.00 0.00 C ATOM 412 CG GLN A 26 1.365 14.342 3.614 1.00 0.00 C ATOM 413 CD GLN A 26 0.548 15.423 4.294 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.213 15.093 5.282 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.602 16.590 3.910 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.178 13.807 0.659 1.00 0.00 H new ATOM 0 HA GLN A 26 2.191 12.867 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.509 13.726 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.193 12.519 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.043 13.882 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.981 14.780 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.206 16.842 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.042 17.306 4.373 1.00 0.00 H new ATOM 424 N VAL A 27 -0.179 10.623 1.406 1.00 0.00 N ATOM 425 CA VAL A 27 -0.401 9.177 1.351 1.00 0.00 C ATOM 426 C VAL A 27 0.605 8.560 0.383 1.00 0.00 C ATOM 427 O VAL A 27 1.228 7.539 0.680 1.00 0.00 O ATOM 428 CB VAL A 27 -1.835 8.867 0.897 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.028 7.346 0.812 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.834 9.448 1.907 1.00 0.00 C ATOM 0 H VAL A 27 -0.966 11.190 1.092 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.264 8.752 2.345 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.006 9.314 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.046 7.126 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.322 6.929 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.854 6.902 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.851 9.226 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.661 9.003 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.701 10.528 1.970 1.00 0.00 H new ATOM 440 N LYS A 28 0.772 9.223 -0.761 1.00 0.00 N ATOM 441 CA LYS A 28 1.721 8.790 -1.783 1.00 0.00 C ATOM 442 C LYS A 28 3.146 8.833 -1.237 1.00 0.00 C ATOM 443 O LYS A 28 3.977 8.001 -1.593 1.00 0.00 O ATOM 444 CB LYS A 28 1.605 9.689 -3.028 1.00 0.00 C ATOM 445 CG LYS A 28 0.359 9.306 -3.841 1.00 0.00 C ATOM 446 CD LYS A 28 -0.029 10.453 -4.794 1.00 0.00 C ATOM 447 CE LYS A 28 1.126 10.788 -5.752 1.00 0.00 C ATOM 448 NZ LYS A 28 1.737 9.536 -6.280 1.00 0.00 N ATOM 0 H LYS A 28 0.257 10.069 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 28 1.486 7.764 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.545 10.735 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.497 9.586 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.554 8.399 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.470 9.087 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.912 10.171 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.294 11.338 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.758 11.398 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.880 11.378 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.917 9.640 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.634 9.353 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.087 8.739 -6.123 1.00 0.00 H new ATOM 462 N ALA A 29 3.412 9.819 -0.382 1.00 0.00 N ATOM 463 CA ALA A 29 4.724 9.996 0.218 1.00 0.00 C ATOM 464 C ALA A 29 4.999 8.907 1.216 1.00 0.00 C ATOM 465 O ALA A 29 6.086 8.342 1.242 1.00 0.00 O ATOM 466 CB ALA A 29 4.793 11.330 0.936 1.00 0.00 C ATOM 0 H ALA A 29 2.724 10.513 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 29 5.466 9.960 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.780 11.453 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.614 12.136 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.035 11.362 1.719 1.00 0.00 H new ATOM 472 N PHE A 30 3.994 8.607 2.028 1.00 0.00 N ATOM 473 CA PHE A 30 4.125 7.573 3.005 1.00 0.00 C ATOM 474 C PHE A 30 4.342 6.274 2.262 1.00 0.00 C ATOM 475 O PHE A 30 5.182 5.465 2.647 1.00 0.00 O ATOM 476 CB PHE A 30 2.884 7.515 3.886 1.00 0.00 C ATOM 477 CG PHE A 30 2.731 8.807 4.678 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.822 9.334 5.397 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.497 9.484 4.702 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.673 10.517 6.118 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.361 10.663 5.425 1.00 0.00 C ATOM 482 CZ PHE A 30 2.445 11.178 6.129 1.00 0.00 C ATOM 0 H PHE A 30 3.087 9.073 2.018 1.00 0.00 H new ATOM 0 HA PHE A 30 4.970 7.765 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.000 7.353 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.955 6.669 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.773 8.822 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.654 9.086 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.509 10.922 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.413 11.180 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.335 12.096 6.688 1.00 0.00 H new ATOM 492 N ILE A 31 3.620 6.126 1.141 1.00 0.00 N ATOM 493 CA ILE A 31 3.783 4.958 0.299 1.00 0.00 C ATOM 494 C ILE A 31 5.187 4.950 -0.269 1.00 0.00 C ATOM 495 O ILE A 31 5.864 3.944 -0.245 1.00 0.00 O ATOM 496 CB ILE A 31 2.735 4.937 -0.838 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.397 4.409 -0.273 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.217 4.039 -2.008 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.287 4.513 -1.323 1.00 0.00 C ATOM 0 H ILE A 31 2.928 6.798 0.809 1.00 0.00 H new ATOM 0 HA ILE A 31 3.627 4.063 0.901 1.00 0.00 H new ATOM 0 HB ILE A 31 2.599 5.947 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.513 3.371 0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.120 4.980 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.466 4.037 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.157 4.427 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.367 3.021 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.646 4.136 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.159 5.555 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.557 3.922 -2.198 1.00 0.00 H new ATOM 511 N ASP A 32 5.621 6.083 -0.774 1.00 0.00 N ATOM 512 CA ASP A 32 6.954 6.175 -1.351 1.00 0.00 C ATOM 513 C ASP A 32 8.023 5.869 -0.308 1.00 0.00 C ATOM 514 O ASP A 32 9.003 5.180 -0.591 1.00 0.00 O ATOM 515 CB ASP A 32 7.167 7.567 -1.955 1.00 0.00 C ATOM 516 CG ASP A 32 8.454 7.590 -2.776 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.400 7.216 -3.936 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.476 7.974 -2.230 1.00 0.00 O ATOM 0 H ASP A 32 5.081 6.948 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 32 7.041 5.431 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.319 7.832 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.219 8.312 -1.161 1.00 0.00 H new ATOM 523 N SER A 33 7.799 6.360 0.898 1.00 0.00 N ATOM 524 CA SER A 33 8.711 6.120 2.012 1.00 0.00 C ATOM 525 C SER A 33 8.691 4.630 2.350 1.00 0.00 C ATOM 526 O SER A 33 9.723 4.016 2.610 1.00 0.00 O ATOM 527 CB SER A 33 8.277 6.953 3.215 1.00 0.00 C ATOM 528 OG SER A 33 8.340 8.332 2.876 1.00 0.00 O ATOM 0 H SER A 33 6.989 6.932 1.136 1.00 0.00 H new ATOM 0 HA SER A 33 9.726 6.411 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.263 6.685 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.923 6.746 4.068 1.00 0.00 H new ATOM 0 HG SER A 33 7.590 8.559 2.288 1.00 0.00 H new ATOM 534 N LEU A 34 7.487 4.069 2.277 1.00 0.00 N ATOM 535 CA LEU A 34 7.241 2.642 2.493 1.00 0.00 C ATOM 536 C LEU A 34 8.047 1.844 1.475 1.00 0.00 C ATOM 537 O LEU A 34 8.797 0.932 1.818 1.00 0.00 O ATOM 538 CB LEU A 34 5.743 2.418 2.265 1.00 0.00 C ATOM 539 CG LEU A 34 4.991 2.263 3.583 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.737 3.137 3.601 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.577 0.817 3.725 1.00 0.00 C ATOM 0 H LEU A 34 6.642 4.598 2.063 1.00 0.00 H new ATOM 0 HA LEU A 34 7.533 2.325 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.330 3.258 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.597 1.527 1.655 1.00 0.00 H new ATOM 0 HG LEU A 34 5.641 2.570 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.218 3.009 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.020 4.183 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.077 2.843 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.037 0.684 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.932 0.540 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.464 0.183 3.724 1.00 0.00 H new ATOM 553 N ARG A 35 7.884 2.235 0.222 1.00 0.00 N ATOM 554 CA ARG A 35 8.588 1.612 -0.901 1.00 0.00 C ATOM 555 C ARG A 35 10.100 1.735 -0.724 1.00 0.00 C ATOM 556 O ARG A 35 10.843 0.774 -0.929 1.00 0.00 O ATOM 557 CB ARG A 35 8.184 2.325 -2.192 1.00 0.00 C ATOM 558 CG ARG A 35 6.695 2.113 -2.445 1.00 0.00 C ATOM 559 CD ARG A 35 6.227 2.979 -3.612 1.00 0.00 C ATOM 560 NE ARG A 35 6.824 2.519 -4.852 1.00 0.00 N ATOM 561 CZ ARG A 35 6.529 1.338 -5.379 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.709 0.531 -4.766 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.054 0.998 -6.515 1.00 0.00 N ATOM 0 H ARG A 35 7.260 2.994 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 35 8.322 0.556 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.403 3.390 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.765 1.940 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.502 1.063 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.128 2.362 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.140 2.942 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.499 4.019 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 35 7.491 3.122 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.291 0.807 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.485 -0.376 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.688 1.637 -6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.833 0.092 -6.928 1.00 0.00 H new ATOM 577 N ASP A 36 10.533 2.935 -0.334 1.00 0.00 N ATOM 578 CA ASP A 36 11.948 3.218 -0.114 1.00 0.00 C ATOM 579 C ASP A 36 12.472 2.425 1.076 1.00 0.00 C ATOM 580 O ASP A 36 13.598 1.922 1.059 1.00 0.00 O ATOM 581 CB ASP A 36 12.138 4.709 0.135 1.00 0.00 C ATOM 582 CG ASP A 36 13.627 5.052 0.202 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.213 5.270 -0.845 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.159 5.087 1.301 1.00 0.00 O ATOM 0 H ASP A 36 9.917 3.730 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 36 12.508 2.923 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.662 5.281 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.650 4.994 1.067 1.00 0.00 H new ATOM 589 N ASP A 37 11.634 2.322 2.102 1.00 0.00 N ATOM 590 CA ASP A 37 11.982 1.592 3.314 1.00 0.00 C ATOM 591 C ASP A 37 10.741 0.940 3.905 1.00 0.00 C ATOM 592 O ASP A 37 9.952 1.587 4.599 1.00 0.00 O ATOM 593 CB ASP A 37 12.638 2.530 4.340 1.00 0.00 C ATOM 594 CG ASP A 37 13.345 1.715 5.429 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.690 0.896 6.059 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.532 1.920 5.617 1.00 0.00 O ATOM 0 H ASP A 37 10.703 2.738 2.117 1.00 0.00 H new ATOM 0 HA ASP A 37 12.699 0.812 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.355 3.182 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.882 3.173 4.790 1.00 0.00 H new ATOM 601 N PRO A 38 10.549 -0.326 3.630 1.00 0.00 N ATOM 602 CA PRO A 38 9.376 -1.080 4.132 1.00 0.00 C ATOM 603 C PRO A 38 9.419 -1.328 5.634 1.00 0.00 C ATOM 604 O PRO A 38 8.382 -1.387 6.285 1.00 0.00 O ATOM 605 CB PRO A 38 9.396 -2.391 3.358 1.00 0.00 C ATOM 606 CG PRO A 38 10.563 -2.356 2.423 1.00 0.00 C ATOM 607 CD PRO A 38 11.434 -1.172 2.814 1.00 0.00 C ATOM 0 HA PRO A 38 8.458 -0.512 3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.480 -3.236 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.467 -2.521 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.130 -3.285 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.224 -2.257 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.310 -1.491 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.797 -0.638 1.936 1.00 0.00 H new ATOM 615 N SER A 39 10.620 -1.456 6.181 1.00 0.00 N ATOM 616 CA SER A 39 10.767 -1.667 7.617 1.00 0.00 C ATOM 617 C SER A 39 10.229 -0.438 8.345 1.00 0.00 C ATOM 618 O SER A 39 9.722 -0.521 9.465 1.00 0.00 O ATOM 619 CB SER A 39 12.239 -1.889 7.975 1.00 0.00 C ATOM 620 OG SER A 39 12.336 -2.292 9.337 1.00 0.00 O ATOM 0 H SER A 39 11.497 -1.418 5.662 1.00 0.00 H new ATOM 0 HA SER A 39 10.208 -2.553 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.672 -2.651 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.807 -0.973 7.814 1.00 0.00 H new ATOM 0 HG SER A 39 13.277 -2.437 9.569 1.00 0.00 H new ATOM 626 N GLN A 40 10.350 0.702 7.664 1.00 0.00 N ATOM 627 CA GLN A 40 9.893 1.987 8.175 1.00 0.00 C ATOM 628 C GLN A 40 8.380 2.147 7.979 1.00 0.00 C ATOM 629 O GLN A 40 7.804 3.130 8.402 1.00 0.00 O ATOM 630 CB GLN A 40 10.634 3.101 7.417 1.00 0.00 C ATOM 631 CG GLN A 40 10.490 4.451 8.128 1.00 0.00 C ATOM 632 CD GLN A 40 11.385 5.488 7.458 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.104 5.923 6.341 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.452 5.912 8.075 1.00 0.00 N ATOM 0 H GLN A 40 10.771 0.756 6.737 1.00 0.00 H new ATOM 0 HA GLN A 40 10.103 2.046 9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.690 2.844 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.240 3.178 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.451 4.780 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.760 4.349 9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.683 5.551 9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.055 6.605 7.632 1.00 0.00 H new ATOM 643 N SER A 41 7.756 1.181 7.315 1.00 0.00 N ATOM 644 CA SER A 41 6.324 1.235 7.008 1.00 0.00 C ATOM 645 C SER A 41 5.456 1.603 8.211 1.00 0.00 C ATOM 646 O SER A 41 4.542 2.422 8.088 1.00 0.00 O ATOM 647 CB SER A 41 5.907 -0.151 6.524 1.00 0.00 C ATOM 648 OG SER A 41 4.513 -0.186 6.309 1.00 0.00 O ATOM 0 H SER A 41 8.222 0.340 6.974 1.00 0.00 H new ATOM 0 HA SER A 41 6.174 2.012 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.432 -0.397 5.601 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.189 -0.903 7.261 1.00 0.00 H new ATOM 0 HG SER A 41 4.177 -1.089 6.488 1.00 0.00 H new ATOM 654 N ALA A 42 5.747 1.021 9.363 1.00 0.00 N ATOM 655 CA ALA A 42 4.991 1.317 10.571 1.00 0.00 C ATOM 656 C ALA A 42 5.202 2.765 10.972 1.00 0.00 C ATOM 657 O ALA A 42 4.310 3.417 11.511 1.00 0.00 O ATOM 658 CB ALA A 42 5.481 0.425 11.700 1.00 0.00 C ATOM 0 H ALA A 42 6.499 0.343 9.488 1.00 0.00 H new ATOM 0 HA ALA A 42 3.933 1.140 10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.917 0.643 12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.337 -0.620 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.540 0.611 11.877 1.00 0.00 H new ATOM 664 N ASN A 43 6.409 3.242 10.698 1.00 0.00 N ATOM 665 CA ASN A 43 6.804 4.598 11.013 1.00 0.00 C ATOM 666 C ASN A 43 6.074 5.594 10.127 1.00 0.00 C ATOM 667 O ASN A 43 5.743 6.692 10.540 1.00 0.00 O ATOM 668 CB ASN A 43 8.298 4.730 10.772 1.00 0.00 C ATOM 669 CG ASN A 43 8.858 5.948 11.502 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.614 7.084 11.097 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.602 5.776 12.559 1.00 0.00 N ATOM 0 H ASN A 43 7.141 2.692 10.249 1.00 0.00 H new ATOM 0 HA ASN A 43 6.554 4.809 12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.807 3.829 11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.492 4.820 9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.983 6.584 13.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.803 4.834 12.893 1.00 0.00 H new ATOM 678 N LEU A 44 5.862 5.179 8.896 1.00 0.00 N ATOM 679 CA LEU A 44 5.197 5.991 7.884 1.00 0.00 C ATOM 680 C LEU A 44 3.746 6.066 8.210 1.00 0.00 C ATOM 681 O LEU A 44 3.106 7.108 8.100 1.00 0.00 O ATOM 682 CB LEU A 44 5.472 5.341 6.540 1.00 0.00 C ATOM 683 CG LEU A 44 6.992 5.247 6.449 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.429 4.322 5.337 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.545 6.640 6.270 1.00 0.00 C ATOM 0 H LEU A 44 6.148 4.259 8.560 1.00 0.00 H new ATOM 0 HA LEU A 44 5.567 7.016 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.011 4.355 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.064 5.936 5.723 1.00 0.00 H new ATOM 0 HG LEU A 44 7.386 4.816 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.518 4.281 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.034 3.322 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.051 4.694 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.632 6.594 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.143 7.076 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.260 7.257 7.122 1.00 0.00 H new ATOM 697 N LEU A 45 3.283 4.954 8.706 1.00 0.00 N ATOM 698 CA LEU A 45 1.931 4.849 9.192 1.00 0.00 C ATOM 699 C LEU A 45 1.834 5.745 10.420 1.00 0.00 C ATOM 700 O LEU A 45 0.842 6.433 10.642 1.00 0.00 O ATOM 701 CB LEU A 45 1.625 3.389 9.532 1.00 0.00 C ATOM 702 CG LEU A 45 0.402 3.286 10.448 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.818 3.916 9.765 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.136 1.810 10.748 1.00 0.00 C ATOM 0 H LEU A 45 3.828 4.095 8.786 1.00 0.00 H new ATOM 0 HA LEU A 45 1.202 5.166 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.446 2.828 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.489 2.936 10.019 1.00 0.00 H new ATOM 0 HG LEU A 45 0.590 3.821 11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.684 3.839 10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.615 4.966 9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.024 3.392 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.733 1.722 11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.054 1.278 9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.006 1.377 11.242 1.00 0.00 H new ATOM 716 N ALA A 46 2.918 5.746 11.185 1.00 0.00 N ATOM 717 CA ALA A 46 3.023 6.568 12.375 1.00 0.00 C ATOM 718 C ALA A 46 2.981 8.030 11.987 1.00 0.00 C ATOM 719 O ALA A 46 2.263 8.837 12.578 1.00 0.00 O ATOM 720 CB ALA A 46 4.356 6.300 13.072 1.00 0.00 C ATOM 0 H ALA A 46 3.744 5.178 10.996 1.00 0.00 H new ATOM 0 HA ALA A 46 2.194 6.328 13.041 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.430 6.920 13.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.414 5.249 13.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.176 6.540 12.395 1.00 0.00 H new ATOM 726 N GLU A 47 3.758 8.335 10.963 1.00 0.00 N ATOM 727 CA GLU A 47 3.853 9.664 10.423 1.00 0.00 C ATOM 728 C GLU A 47 2.522 10.079 9.862 1.00 0.00 C ATOM 729 O GLU A 47 2.105 11.221 9.995 1.00 0.00 O ATOM 730 CB GLU A 47 4.871 9.657 9.291 1.00 0.00 C ATOM 731 CG GLU A 47 6.306 9.712 9.808 1.00 0.00 C ATOM 732 CD GLU A 47 6.484 10.827 10.845 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.205 11.970 10.516 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.882 10.517 11.957 1.00 0.00 O ATOM 0 H GLU A 47 4.345 7.653 10.483 1.00 0.00 H new ATOM 0 HA GLU A 47 4.153 10.357 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.737 8.758 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.689 10.509 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.571 8.753 10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.989 9.876 8.974 1.00 0.00 H new ATOM 741 N ALA A 48 1.870 9.122 9.233 1.00 0.00 N ATOM 742 CA ALA A 48 0.590 9.344 8.634 1.00 0.00 C ATOM 743 C ALA A 48 -0.431 9.643 9.708 1.00 0.00 C ATOM 744 O ALA A 48 -1.195 10.587 9.583 1.00 0.00 O ATOM 745 CB ALA A 48 0.221 8.103 7.860 1.00 0.00 C ATOM 0 H ALA A 48 2.222 8.170 9.128 1.00 0.00 H new ATOM 0 HA ALA A 48 0.618 10.199 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.753 8.243 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.971 7.917 7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.178 7.251 8.538 1.00 0.00 H new ATOM 751 N LYS A 49 -0.399 8.865 10.788 1.00 0.00 N ATOM 752 CA LYS A 49 -1.296 9.107 11.908 1.00 0.00 C ATOM 753 C LYS A 49 -1.022 10.495 12.456 1.00 0.00 C ATOM 754 O LYS A 49 -1.926 11.167 12.946 1.00 0.00 O ATOM 755 CB LYS A 49 -1.107 8.048 13.000 1.00 0.00 C ATOM 756 CG LYS A 49 -1.720 6.723 12.532 1.00 0.00 C ATOM 757 CD LYS A 49 -1.607 5.673 13.643 1.00 0.00 C ATOM 758 CE LYS A 49 -2.154 4.335 13.136 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.349 3.408 14.286 1.00 0.00 N ATOM 0 H LYS A 49 0.231 8.072 10.908 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.329 9.042 11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.047 7.916 13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.581 8.375 13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.766 6.871 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.209 6.373 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.567 5.561 13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.164 5.996 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.100 4.490 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.463 3.897 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.720 2.500 13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.439 3.251 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.024 3.825 14.958 1.00 0.00 H new ATOM 773 N LYS A 50 0.240 10.922 12.339 1.00 0.00 N ATOM 774 CA LYS A 50 0.635 12.239 12.796 1.00 0.00 C ATOM 775 C LYS A 50 0.137 13.301 11.836 1.00 0.00 C ATOM 776 O LYS A 50 -0.366 14.344 12.253 1.00 0.00 O ATOM 777 CB LYS A 50 2.162 12.324 12.935 1.00 0.00 C ATOM 778 CG LYS A 50 2.561 12.368 14.420 1.00 0.00 C ATOM 779 CD LYS A 50 2.512 10.955 15.026 1.00 0.00 C ATOM 780 CE LYS A 50 3.920 10.344 15.058 1.00 0.00 C ATOM 781 NZ LYS A 50 4.471 10.269 13.674 1.00 0.00 N ATOM 0 H LYS A 50 0.995 10.370 11.932 1.00 0.00 H new ATOM 0 HA LYS A 50 0.187 12.413 13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.626 11.464 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.531 13.214 12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.565 12.781 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.887 13.029 14.966 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.103 10.998 16.035 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.846 10.322 14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.574 10.948 15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.884 9.348 15.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.275 9.610 13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.732 9.932 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.790 11.213 13.376 1.00 0.00 H new ATOM 795 N LEU A 51 0.276 13.016 10.548 1.00 0.00 N ATOM 796 CA LEU A 51 -0.163 13.938 9.520 1.00 0.00 C ATOM 797 C LEU A 51 -1.676 13.996 9.508 1.00 0.00 C ATOM 798 O LEU A 51 -2.272 15.068 9.420 1.00 0.00 O ATOM 799 CB LEU A 51 0.361 13.511 8.141 1.00 0.00 C ATOM 800 CG LEU A 51 1.694 14.206 7.813 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.567 15.727 7.976 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.809 13.670 8.726 1.00 0.00 C ATOM 0 H LEU A 51 0.690 12.153 10.195 1.00 0.00 H new ATOM 0 HA LEU A 51 0.238 14.927 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.497 12.430 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.377 13.755 7.377 1.00 0.00 H new ATOM 0 HG LEU A 51 1.948 13.989 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.520 16.199 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.799 16.102 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.292 15.961 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.748 14.169 8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.552 13.864 9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.919 12.596 8.574 1.00 0.00 H new ATOM 814 N ASN A 52 -2.283 12.822 9.626 1.00 0.00 N ATOM 815 CA ASN A 52 -3.717 12.702 9.661 1.00 0.00 C ATOM 816 C ASN A 52 -4.245 13.451 10.865 1.00 0.00 C ATOM 817 O ASN A 52 -5.203 14.209 10.764 1.00 0.00 O ATOM 818 CB ASN A 52 -4.095 11.232 9.778 1.00 0.00 C ATOM 819 CG ASN A 52 -5.603 11.078 9.852 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.255 10.963 8.827 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.195 11.073 11.014 1.00 0.00 N ATOM 0 H ASN A 52 -1.787 11.933 9.699 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.146 13.118 8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.708 10.681 8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.635 10.801 10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.209 10.973 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.644 11.169 11.867 1.00 0.00 H new ATOM 828 N ASP A 53 -3.589 13.233 12.005 1.00 0.00 N ATOM 829 CA ASP A 53 -3.983 13.897 13.231 1.00 0.00 C ATOM 830 C ASP A 53 -3.793 15.401 13.095 1.00 0.00 C ATOM 831 O ASP A 53 -4.640 16.187 13.521 1.00 0.00 O ATOM 832 CB ASP A 53 -3.176 13.373 14.420 1.00 0.00 C ATOM 833 CG ASP A 53 -3.602 14.091 15.702 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.565 13.657 16.311 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.962 15.072 16.049 1.00 0.00 O ATOM 0 H ASP A 53 -2.790 12.606 12.097 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.037 13.684 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.328 12.299 14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.112 13.528 14.244 1.00 0.00 H new ATOM 840 N ALA A 54 -2.675 15.785 12.482 1.00 0.00 N ATOM 841 CA ALA A 54 -2.369 17.187 12.264 1.00 0.00 C ATOM 842 C ALA A 54 -3.429 17.803 11.358 1.00 0.00 C ATOM 843 O ALA A 54 -3.849 18.944 11.559 1.00 0.00 O ATOM 844 CB ALA A 54 -0.988 17.317 11.619 1.00 0.00 C ATOM 0 H ALA A 54 -1.968 15.140 12.129 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.365 17.713 13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.760 18.370 11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.237 16.881 12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.982 16.793 10.663 1.00 0.00 H new ATOM 850 N GLN A 55 -3.864 17.018 10.369 1.00 0.00 N ATOM 851 CA GLN A 55 -4.889 17.458 9.431 1.00 0.00 C ATOM 852 C GLN A 55 -6.289 17.191 9.990 1.00 0.00 C ATOM 853 O GLN A 55 -7.291 17.617 9.409 1.00 0.00 O ATOM 854 CB GLN A 55 -4.692 16.719 8.107 1.00 0.00 C ATOM 855 CG GLN A 55 -3.451 17.274 7.398 1.00 0.00 C ATOM 856 CD GLN A 55 -3.033 16.340 6.271 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.552 15.171 6.568 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.149 16.682 5.095 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.519 16.073 10.200 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.797 18.532 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.575 15.650 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.571 16.841 7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.663 18.266 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.634 17.385 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.527 17.601 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.867 16.046 4.349 1.00 0.00 H new ATOM 867 N ALA A 56 -6.345 16.489 11.125 1.00 0.00 N ATOM 868 CA ALA A 56 -7.616 16.169 11.773 1.00 0.00 C ATOM 869 C ALA A 56 -8.058 17.318 12.666 1.00 0.00 C ATOM 870 O ALA A 56 -7.226 17.959 13.311 1.00 0.00 O ATOM 871 CB ALA A 56 -7.484 14.888 12.607 1.00 0.00 C ATOM 0 H ALA A 56 -5.524 16.132 11.613 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.366 16.012 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.439 14.664 13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.198 14.060 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.721 15.029 13.373 1.00 0.00 H new ATOM 877 N PRO A 57 -9.345 17.594 12.705 1.00 0.00 N ATOM 878 CA PRO A 57 -9.936 18.682 13.518 1.00 0.00 C ATOM 879 C PRO A 57 -9.330 18.787 14.906 1.00 0.00 C ATOM 880 O PRO A 57 -8.913 17.795 15.510 1.00 0.00 O ATOM 881 CB PRO A 57 -11.420 18.309 13.619 1.00 0.00 C ATOM 882 CG PRO A 57 -11.581 17.018 12.905 1.00 0.00 C ATOM 883 CD PRO A 57 -10.408 16.922 11.962 1.00 0.00 C ATOM 0 HA PRO A 57 -9.755 19.653 13.057 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.726 18.217 14.661 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.045 19.081 13.170 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.590 16.182 13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.525 16.987 12.360 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.153 15.886 11.737 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.611 17.414 11.011 1.00 0.00 H new ATOM 891 N LYS A 58 -9.307 20.010 15.380 1.00 0.00 N ATOM 892 CA LYS A 58 -8.770 20.336 16.704 1.00 0.00 C ATOM 893 C LYS A 58 -9.835 21.022 17.563 1.00 0.00 C ATOM 894 O LYS A 58 -10.547 21.862 17.034 1.00 0.00 O ATOM 895 CB LYS A 58 -7.552 21.250 16.573 1.00 0.00 C ATOM 896 CG LYS A 58 -6.472 20.605 15.685 1.00 0.00 C ATOM 897 CD LYS A 58 -5.921 19.334 16.354 1.00 0.00 C ATOM 898 CE LYS A 58 -4.611 18.909 15.676 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.821 18.776 14.208 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.923 20.698 18.735 1.00 0.00 O ATOM 0 H LYS A 58 -9.658 20.818 14.866 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.470 19.406 17.187 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.855 22.207 16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.140 21.457 17.561 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.893 20.358 14.710 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.662 21.314 15.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.748 19.517 17.415 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.654 18.530 16.284 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.832 19.645 15.876 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.267 17.961 16.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.363 17.906 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.840 18.732 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.406 19.597 13.722 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.793 -4.666 -3.055 1.00 0.00 N ATOM 916 CA VAL B 1 -15.319 -3.567 -2.164 1.00 0.00 C ATOM 917 C VAL B 1 -14.835 -4.157 -0.835 1.00 0.00 C ATOM 918 O VAL B 1 -13.947 -3.595 -0.189 1.00 0.00 O ATOM 919 CB VAL B 1 -16.465 -2.557 -1.945 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.561 -3.162 -1.057 1.00 0.00 C ATOM 921 CG2 VAL B 1 -15.917 -1.283 -1.285 1.00 0.00 C ATOM 0 H1 VAL B 1 -15.831 -4.325 -4.037 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.137 -5.470 -2.993 1.00 0.00 H new ATOM 0 H3 VAL B 1 -16.742 -4.970 -2.757 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.483 -3.043 -2.627 1.00 0.00 H new ATOM 0 HB VAL B 1 -16.897 -2.312 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.359 -2.433 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -17.965 -4.054 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -17.138 -3.429 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -16.730 -0.573 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -15.470 -1.535 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -15.161 -0.835 -1.930 1.00 0.00 H new ATOM 933 N ASP B 2 -15.418 -5.293 -0.442 1.00 0.00 N ATOM 934 CA ASP B 2 -15.040 -5.964 0.804 1.00 0.00 C ATOM 935 C ASP B 2 -15.103 -7.484 0.633 1.00 0.00 C ATOM 936 O ASP B 2 -16.078 -8.015 0.094 1.00 0.00 O ATOM 937 CB ASP B 2 -15.970 -5.522 1.946 1.00 0.00 C ATOM 938 CG ASP B 2 -17.386 -6.064 1.730 1.00 0.00 C ATOM 939 OD1 ASP B 2 -18.061 -5.573 0.840 1.00 0.00 O ATOM 940 OD2 ASP B 2 -17.771 -6.967 2.454 1.00 0.00 O ATOM 0 H ASP B 2 -16.152 -5.766 -0.968 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.016 -5.684 1.053 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -15.580 -5.879 2.899 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.996 -4.434 2.000 1.00 0.00 H new ATOM 945 N ASN B 3 -14.054 -8.171 1.093 1.00 0.00 N ATOM 946 CA ASN B 3 -13.974 -9.624 0.998 1.00 0.00 C ATOM 947 C ASN B 3 -13.136 -10.191 2.141 1.00 0.00 C ATOM 948 O ASN B 3 -12.428 -9.453 2.831 1.00 0.00 O ATOM 949 CB ASN B 3 -13.335 -10.043 -0.336 1.00 0.00 C ATOM 950 CG ASN B 3 -14.122 -9.479 -1.513 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.648 -8.576 -2.198 1.00 0.00 O ATOM 952 ND2 ASN B 3 -15.299 -9.963 -1.794 1.00 0.00 N ATOM 0 H ASN B 3 -13.245 -7.737 1.537 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.989 -10.017 1.058 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.305 -9.689 -0.378 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.301 -11.130 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.828 -9.592 -2.583 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.691 -10.713 -1.224 1.00 0.00 H new ATOM 959 N LYS B 4 -13.198 -11.514 2.309 1.00 0.00 N ATOM 960 CA LYS B 4 -12.418 -12.193 3.346 1.00 0.00 C ATOM 961 C LYS B 4 -10.927 -12.043 3.051 1.00 0.00 C ATOM 962 O LYS B 4 -10.079 -12.219 3.929 1.00 0.00 O ATOM 963 CB LYS B 4 -12.805 -13.678 3.406 1.00 0.00 C ATOM 964 CG LYS B 4 -12.399 -14.382 2.104 1.00 0.00 C ATOM 965 CD LYS B 4 -12.910 -15.823 2.113 1.00 0.00 C ATOM 966 CE LYS B 4 -14.424 -15.828 1.884 1.00 0.00 C ATOM 967 NZ LYS B 4 -14.860 -17.187 1.458 1.00 0.00 N ATOM 0 H LYS B 4 -13.777 -12.134 1.743 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.633 -11.739 4.313 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -12.315 -14.155 4.255 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.879 -13.776 3.562 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.809 -13.847 1.247 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.314 -14.372 1.997 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.412 -16.402 1.335 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.674 -16.298 3.065 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.941 -15.539 2.799 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.689 -15.095 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -15.888 -17.189 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -14.376 -17.446 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -14.620 -17.877 2.199 1.00 0.00 H new ATOM 981 N PHE B 5 -10.637 -11.715 1.794 1.00 0.00 N ATOM 982 CA PHE B 5 -9.283 -11.528 1.312 1.00 0.00 C ATOM 983 C PHE B 5 -8.605 -10.316 1.935 1.00 0.00 C ATOM 984 O PHE B 5 -7.549 -9.929 1.481 1.00 0.00 O ATOM 985 CB PHE B 5 -9.313 -11.379 -0.215 1.00 0.00 C ATOM 986 CG PHE B 5 -9.416 -12.749 -0.828 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.538 -13.540 -0.560 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.391 -13.235 -1.647 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.635 -14.821 -1.109 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.489 -14.513 -2.199 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.609 -15.308 -1.930 1.00 0.00 C ATOM 0 H PHE B 5 -11.349 -11.571 1.078 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.701 -12.403 1.602 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.160 -10.764 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.412 -10.875 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.329 -13.161 0.071 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.526 -12.622 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.499 -15.435 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.700 -14.889 -2.834 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.683 -16.298 -2.356 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.190 -9.726 2.979 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.553 -8.572 3.626 1.00 0.00 C ATOM 1003 C ASN B 6 -7.130 -8.949 4.021 1.00 0.00 C ATOM 1004 O ASN B 6 -6.193 -8.197 3.769 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.346 -8.137 4.864 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.821 -6.795 5.371 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.546 -5.800 5.367 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.590 -6.705 5.792 1.00 0.00 N ATOM 0 H ASN B 6 -10.079 -10.016 3.387 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.534 -7.736 2.927 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.405 -8.054 4.618 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.259 -8.891 5.646 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.227 -5.809 6.118 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.990 -7.530 5.795 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.976 -10.146 4.590 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.656 -10.644 4.964 1.00 0.00 C ATOM 1017 C LYS B 7 -4.789 -10.740 3.711 1.00 0.00 C ATOM 1018 O LYS B 7 -3.629 -10.325 3.703 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.795 -12.030 5.610 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.416 -12.557 6.040 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.565 -13.916 6.745 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.785 -15.031 5.711 1.00 0.00 C ATOM 1023 NZ LYS B 7 -3.507 -15.302 4.991 1.00 0.00 N ATOM 0 H LYS B 7 -7.745 -10.783 4.800 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.191 -9.964 5.678 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.456 -11.971 6.475 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.254 -12.723 4.905 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.770 -12.660 5.168 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.937 -11.842 6.709 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.673 -14.128 7.334 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.405 -13.883 7.439 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -5.135 -15.937 6.206 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.559 -14.736 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.638 -15.129 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.763 -14.674 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.228 -16.293 5.141 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.396 -11.281 2.656 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.741 -11.448 1.361 1.00 0.00 C ATOM 1039 C GLU B 8 -4.459 -10.091 0.706 1.00 0.00 C ATOM 1040 O GLU B 8 -3.473 -9.925 -0.016 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.662 -12.281 0.446 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.822 -13.706 1.005 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.456 -14.370 1.200 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.726 -14.485 0.229 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.164 -14.758 2.319 1.00 0.00 O ATOM 0 H GLU B 8 -6.359 -11.617 2.676 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.788 -11.956 1.509 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.638 -11.802 0.368 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.245 -12.322 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.353 -13.671 1.956 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.428 -14.303 0.323 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.352 -9.141 0.964 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.263 -7.800 0.418 1.00 0.00 C ATOM 1054 C ARG B 9 -4.022 -7.096 0.951 1.00 0.00 C ATOM 1055 O ARG B 9 -3.311 -6.421 0.218 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.500 -7.005 0.853 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.630 -5.730 0.018 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.253 -4.608 0.855 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.497 -5.057 1.467 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.536 -4.241 1.601 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.068 -3.683 0.549 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.022 -4.000 2.784 1.00 0.00 N ATOM 0 H ARG B 9 -6.164 -9.286 1.564 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.206 -7.861 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.394 -7.617 0.736 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.424 -6.750 1.910 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.649 -5.422 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.246 -5.923 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.553 -4.293 1.629 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.444 -3.739 0.225 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.571 -6.018 1.799 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.686 -3.873 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.866 -3.056 0.653 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -9.605 -4.438 3.606 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.820 -3.374 2.890 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.790 -7.272 2.251 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.659 -6.652 2.936 1.00 0.00 C ATOM 1078 C VAL B 10 -1.351 -7.087 2.289 1.00 0.00 C ATOM 1079 O VAL B 10 -0.416 -6.300 2.161 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.652 -7.067 4.419 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.591 -6.270 5.181 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.046 -6.866 5.054 1.00 0.00 C ATOM 0 H VAL B 10 -4.378 -7.846 2.856 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.757 -5.569 2.860 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.406 -8.127 4.481 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.593 -6.570 6.229 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.609 -6.466 4.750 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.814 -5.205 5.108 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.015 -7.166 6.101 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.329 -5.816 4.986 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.779 -7.474 4.524 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.301 -8.351 1.898 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.111 -8.913 1.275 1.00 0.00 C ATOM 1094 C ILE B 11 0.085 -8.322 -0.123 1.00 0.00 C ATOM 1095 O ILE B 11 1.211 -8.004 -0.506 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.237 -10.441 1.211 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.866 -10.952 2.537 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.160 -11.045 1.003 1.00 0.00 C ATOM 1099 CD1 ILE B 11 -0.148 -12.200 3.075 1.00 0.00 C ATOM 0 H ILE B 11 -2.073 -9.010 2.001 1.00 0.00 H new ATOM 0 HA ILE B 11 0.764 -8.659 1.873 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.878 -10.740 0.381 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.826 -10.160 3.285 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.919 -11.182 2.373 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.083 -12.131 0.956 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.583 -10.670 0.071 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.806 -10.763 1.834 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.622 -12.521 4.003 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.211 -13.002 2.339 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.899 -11.964 3.265 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.019 -8.148 -0.868 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.954 -7.561 -2.199 1.00 0.00 C ATOM 1113 C ALA B 12 -0.509 -6.136 -2.090 1.00 0.00 C ATOM 1114 O ALA B 12 0.376 -5.727 -2.819 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.324 -7.623 -2.868 1.00 0.00 C ATOM 0 H ALA B 12 -1.958 -8.407 -0.566 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.242 -8.122 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.264 -7.181 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.642 -8.662 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.047 -7.070 -2.269 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.092 -5.406 -1.142 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.713 -4.019 -0.924 1.00 0.00 C ATOM 1123 C ILE B 13 0.772 -3.992 -0.647 1.00 0.00 C ATOM 1124 O ILE B 13 1.499 -3.213 -1.234 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.517 -3.450 0.263 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.995 -3.481 -0.095 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.140 -1.995 0.550 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.852 -3.347 1.154 1.00 0.00 C ATOM 0 H ILE B 13 -1.822 -5.751 -0.519 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.931 -3.403 -1.796 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.297 -4.055 1.143 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.224 -2.671 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.231 -4.414 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.726 -1.627 1.392 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.079 -1.935 0.792 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.346 -1.385 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.906 -3.371 0.877 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.636 -4.172 1.833 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.629 -2.402 1.649 1.00 0.00 H new ATOM 1140 N GLY B 14 1.218 -4.904 0.200 1.00 0.00 N ATOM 1141 CA GLY B 14 2.637 -5.021 0.510 1.00 0.00 C ATOM 1142 C GLY B 14 3.437 -5.347 -0.742 1.00 0.00 C ATOM 1143 O GLY B 14 4.535 -4.836 -0.936 1.00 0.00 O ATOM 0 H GLY B 14 0.621 -5.574 0.686 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.997 -4.089 0.945 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.788 -5.800 1.257 1.00 0.00 H new ATOM 1147 N GLU B 15 2.878 -6.206 -1.586 1.00 0.00 N ATOM 1148 CA GLU B 15 3.548 -6.616 -2.803 1.00 0.00 C ATOM 1149 C GLU B 15 3.649 -5.452 -3.772 1.00 0.00 C ATOM 1150 O GLU B 15 4.691 -5.270 -4.400 1.00 0.00 O ATOM 1151 CB GLU B 15 2.803 -7.785 -3.427 1.00 0.00 C ATOM 1152 CG GLU B 15 3.757 -8.593 -4.323 1.00 0.00 C ATOM 1153 CD GLU B 15 3.058 -9.844 -4.860 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.665 -10.674 -4.054 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.929 -9.958 -6.067 1.00 0.00 O ATOM 0 H GLU B 15 1.961 -6.630 -1.445 1.00 0.00 H new ATOM 0 HA GLU B 15 4.562 -6.937 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.393 -8.425 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.960 -7.419 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU B 15 4.097 -7.974 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.643 -8.879 -3.756 1.00 0.00 H new ATOM 1162 N ILE B 16 2.579 -4.647 -3.883 1.00 0.00 N ATOM 1163 CA ILE B 16 2.643 -3.487 -4.801 1.00 0.00 C ATOM 1164 C ILE B 16 3.822 -2.616 -4.375 1.00 0.00 C ATOM 1165 O ILE B 16 4.671 -2.225 -5.176 1.00 0.00 O ATOM 1166 CB ILE B 16 1.406 -2.541 -4.730 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.067 -3.282 -4.665 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.399 -1.622 -5.960 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.226 -3.977 -5.981 1.00 0.00 C ATOM 0 H ILE B 16 1.700 -4.763 -3.379 1.00 0.00 H new ATOM 0 HA ILE B 16 2.711 -3.906 -5.805 1.00 0.00 H new ATOM 0 HB ILE B 16 1.504 -1.974 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.090 -4.015 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.733 -2.578 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.535 -0.959 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.312 -1.027 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.344 -2.226 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.181 -4.497 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.271 -3.238 -6.781 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.564 -4.696 -6.196 1.00 0.00 H new ATOM 1181 N MET B 17 3.823 -2.328 -3.082 1.00 0.00 N ATOM 1182 CA MET B 17 4.835 -1.505 -2.435 1.00 0.00 C ATOM 1183 C MET B 17 6.229 -2.128 -2.579 1.00 0.00 C ATOM 1184 O MET B 17 7.219 -1.404 -2.720 1.00 0.00 O ATOM 1185 CB MET B 17 4.434 -1.344 -0.975 1.00 0.00 C ATOM 1186 CG MET B 17 2.991 -0.814 -0.906 1.00 0.00 C ATOM 1187 SD MET B 17 2.948 0.906 -1.411 1.00 0.00 S ATOM 1188 CE MET B 17 3.861 1.518 0.002 1.00 0.00 C ATOM 0 H MET B 17 3.106 -2.666 -2.440 1.00 0.00 H new ATOM 0 HA MET B 17 4.891 -0.526 -2.911 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.509 -2.300 -0.457 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.112 -0.655 -0.472 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.345 -1.408 -1.552 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.606 -0.914 0.109 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.299 2.321 0.478 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.013 0.708 0.716 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.828 1.898 -0.327 1.00 0.00 H new ATOM 1198 N ARG B 18 6.300 -3.467 -2.567 1.00 0.00 N ATOM 1199 CA ARG B 18 7.579 -4.165 -2.721 1.00 0.00 C ATOM 1200 C ARG B 18 8.158 -3.955 -4.118 1.00 0.00 C ATOM 1201 O ARG B 18 9.376 -3.843 -4.271 1.00 0.00 O ATOM 1202 CB ARG B 18 7.415 -5.658 -2.468 1.00 0.00 C ATOM 1203 CG ARG B 18 7.283 -5.928 -0.963 1.00 0.00 C ATOM 1204 CD ARG B 18 8.326 -6.954 -0.510 1.00 0.00 C ATOM 1205 NE ARG B 18 8.081 -8.250 -1.143 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.063 -9.020 -0.775 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.194 -9.838 0.230 1.00 0.00 N ATOM 1208 NH2 ARG B 18 5.933 -8.955 -1.419 1.00 0.00 N ATOM 0 H ARG B 18 5.494 -4.081 -2.453 1.00 0.00 H new ATOM 0 HA ARG B 18 8.266 -3.747 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.533 -6.028 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.273 -6.199 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.413 -4.999 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.281 -6.296 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.325 -6.602 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.293 -7.060 0.574 1.00 0.00 H new ATOM 0 HE ARG B 18 8.706 -8.569 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.079 -9.888 0.735 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.412 -10.429 0.512 1.00 0.00 H new ATOM 0 HH21 ARG B 18 5.830 -8.313 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG B 18 5.151 -9.546 -1.137 1.00 0.00 H new ATOM 1222 N LEU B 19 7.281 -3.904 -5.133 1.00 0.00 N ATOM 1223 CA LEU B 19 7.731 -3.706 -6.515 1.00 0.00 C ATOM 1224 C LEU B 19 8.581 -2.443 -6.601 1.00 0.00 C ATOM 1225 O LEU B 19 8.072 -1.342 -6.402 1.00 0.00 O ATOM 1226 CB LEU B 19 6.539 -3.563 -7.466 1.00 0.00 C ATOM 1227 CG LEU B 19 5.677 -4.830 -7.503 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.399 -4.535 -8.272 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.406 -5.946 -8.226 1.00 0.00 C ATOM 0 H LEU B 19 6.271 -3.996 -5.023 1.00 0.00 H new ATOM 0 HA LEU B 19 8.316 -4.578 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.926 -2.717 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.901 -3.342 -8.470 1.00 0.00 H new ATOM 0 HG LEU B 19 5.461 -5.134 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.779 -5.431 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.853 -3.733 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.648 -4.230 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.780 -6.838 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.624 -5.636 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.339 -6.167 -7.707 1.00 0.00 H new ATOM 1241 N PRO B 20 9.860 -2.575 -6.867 1.00 0.00 N ATOM 1242 CA PRO B 20 10.787 -1.415 -6.948 1.00 0.00 C ATOM 1243 C PRO B 20 10.695 -0.615 -8.257 1.00 0.00 C ATOM 1244 O PRO B 20 11.564 0.222 -8.512 1.00 0.00 O ATOM 1245 CB PRO B 20 12.181 -2.049 -6.795 1.00 0.00 C ATOM 1246 CG PRO B 20 11.987 -3.519 -6.623 1.00 0.00 C ATOM 1247 CD PRO B 20 10.587 -3.833 -7.111 1.00 0.00 C ATOM 0 HA PRO B 20 10.543 -0.678 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.795 -1.843 -7.672 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.702 -1.628 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.730 -4.077 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.106 -3.806 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.579 -4.105 -8.166 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.146 -4.666 -6.564 1.00 0.00 H new ATOM 1255 N ASN B 21 9.669 -0.861 -9.088 1.00 0.00 N ATOM 1256 CA ASN B 21 9.551 -0.124 -10.355 1.00 0.00 C ATOM 1257 C ASN B 21 8.234 0.651 -10.450 1.00 0.00 C ATOM 1258 O ASN B 21 8.101 1.527 -11.307 1.00 0.00 O ATOM 1259 CB ASN B 21 9.668 -1.085 -11.538 1.00 0.00 C ATOM 1260 CG ASN B 21 10.955 -1.902 -11.449 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.938 -3.153 -11.807 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.002 -1.388 -11.052 1.00 0.00 N flip ATOM 0 H ASN B 21 8.931 -1.543 -8.913 1.00 0.00 H new ATOM 0 HA ASN B 21 10.366 0.599 -10.385 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.808 -1.754 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.653 -0.523 -12.472 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.014 -0.407 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.856 -1.943 -11.004 1.00 0.00 H new ATOM 1269 N LEU B 22 7.263 0.343 -9.579 1.00 0.00 N ATOM 1270 CA LEU B 22 5.978 1.050 -9.617 1.00 0.00 C ATOM 1271 C LEU B 22 6.100 2.481 -9.104 1.00 0.00 C ATOM 1272 O LEU B 22 7.033 2.830 -8.381 1.00 0.00 O ATOM 1273 CB LEU B 22 4.898 0.337 -8.782 1.00 0.00 C ATOM 1274 CG LEU B 22 4.564 -1.038 -9.348 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.325 -1.594 -8.640 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.262 -0.901 -10.822 1.00 0.00 C ATOM 0 H LEU B 22 7.339 -0.373 -8.857 1.00 0.00 H new ATOM 0 HA LEU B 22 5.683 1.058 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.243 0.233 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.996 0.948 -8.755 1.00 0.00 H new ATOM 0 HG LEU B 22 5.408 -1.711 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.086 -2.577 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.524 -1.680 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.482 -0.921 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.022 -1.880 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.413 -0.231 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.133 -0.493 -11.335 1.00 0.00 H new ATOM 1288 N ASN B 23 5.113 3.282 -9.483 1.00 0.00 N ATOM 1289 CA ASN B 23 5.029 4.675 -9.073 1.00 0.00 C ATOM 1290 C ASN B 23 4.147 4.750 -7.824 1.00 0.00 C ATOM 1291 O ASN B 23 3.301 3.884 -7.620 1.00 0.00 O ATOM 1292 CB ASN B 23 4.444 5.466 -10.282 1.00 0.00 C ATOM 1293 CG ASN B 23 3.421 6.539 -9.915 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.523 7.190 -8.896 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.435 6.775 -10.733 1.00 0.00 N ATOM 0 H ASN B 23 4.346 2.982 -10.085 1.00 0.00 H new ATOM 0 HA ASN B 23 5.994 5.108 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.266 5.938 -10.821 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.977 4.759 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.755 7.503 -10.515 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.343 6.232 -11.591 1.00 0.00 H new ATOM 1302 N SER B 24 4.332 5.786 -6.996 1.00 0.00 N ATOM 1303 CA SER B 24 3.519 5.930 -5.786 1.00 0.00 C ATOM 1304 C SER B 24 2.047 6.022 -6.175 1.00 0.00 C ATOM 1305 O SER B 24 1.195 5.357 -5.588 1.00 0.00 O ATOM 1306 CB SER B 24 3.948 7.174 -5.002 1.00 0.00 C ATOM 1307 OG SER B 24 3.994 8.293 -5.877 1.00 0.00 O ATOM 0 H SER B 24 5.023 6.522 -7.139 1.00 0.00 H new ATOM 0 HA SER B 24 3.665 5.060 -5.146 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.248 7.364 -4.188 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.926 7.012 -4.549 1.00 0.00 H new ATOM 0 HG SER B 24 4.358 9.067 -5.399 1.00 0.00 H new ATOM 1313 N LEU B 25 1.777 6.812 -7.213 1.00 0.00 N ATOM 1314 CA LEU B 25 0.437 6.966 -7.745 1.00 0.00 C ATOM 1315 C LEU B 25 -0.016 5.663 -8.391 1.00 0.00 C ATOM 1316 O LEU B 25 -1.179 5.278 -8.261 1.00 0.00 O ATOM 1317 CB LEU B 25 0.402 8.093 -8.783 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.566 9.172 -8.343 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.399 10.421 -9.219 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.982 8.630 -8.461 1.00 0.00 C ATOM 0 H LEU B 25 2.484 7.360 -7.703 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.236 7.218 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.399 8.516 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.101 7.696 -9.753 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.364 9.453 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.100 11.190 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.620 10.796 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.599 10.165 -10.260 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.692 9.395 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.181 8.353 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.090 7.752 -7.824 1.00 0.00 H new ATOM 1332 N GLN B 26 0.913 4.971 -9.070 1.00 0.00 N ATOM 1333 CA GLN B 26 0.567 3.694 -9.699 1.00 0.00 C ATOM 1334 C GLN B 26 0.198 2.688 -8.628 1.00 0.00 C ATOM 1335 O GLN B 26 -0.730 1.898 -8.783 1.00 0.00 O ATOM 1336 CB GLN B 26 1.750 3.131 -10.480 1.00 0.00 C ATOM 1337 CG GLN B 26 1.730 3.598 -11.940 1.00 0.00 C ATOM 1338 CD GLN B 26 2.977 3.086 -12.651 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.832 2.353 -11.993 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.173 3.353 -13.836 1.00 0.00 N flip ATOM 0 H GLN B 26 1.882 5.266 -9.194 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.268 3.869 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.681 3.445 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.726 2.042 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.835 3.228 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.693 4.686 -11.985 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.502 3.926 -14.347 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.006 3.001 -14.307 1.00 0.00 H new ATOM 1349 N VAL B 27 0.947 2.738 -7.539 1.00 0.00 N ATOM 1350 CA VAL B 27 0.728 1.847 -6.420 1.00 0.00 C ATOM 1351 C VAL B 27 -0.612 2.143 -5.804 1.00 0.00 C ATOM 1352 O VAL B 27 -1.382 1.233 -5.530 1.00 0.00 O ATOM 1353 CB VAL B 27 1.873 1.981 -5.413 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.561 1.196 -4.128 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.139 1.418 -6.069 1.00 0.00 C ATOM 0 H VAL B 27 1.718 3.393 -7.409 1.00 0.00 H new ATOM 0 HA VAL B 27 0.718 0.811 -6.759 1.00 0.00 H new ATOM 0 HB VAL B 27 2.009 3.028 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.387 1.304 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.648 1.585 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.426 0.142 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.975 1.499 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.981 0.371 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.362 1.983 -6.974 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.909 3.424 -5.656 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.192 3.831 -5.138 1.00 0.00 C ATOM 1367 C VAL B 28 -3.273 3.301 -6.079 1.00 0.00 C ATOM 1368 O VAL B 28 -4.358 2.925 -5.646 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.273 5.362 -5.040 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.664 5.754 -4.538 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.199 5.889 -4.067 1.00 0.00 C ATOM 0 H VAL B 28 -0.278 4.192 -5.888 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.334 3.427 -4.136 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.097 5.800 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.732 6.839 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.418 5.389 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.834 5.313 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.266 6.975 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.361 5.459 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.210 5.606 -4.428 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.948 3.259 -7.374 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.871 2.761 -8.379 1.00 0.00 C ATOM 1383 C ALA B 29 -4.235 1.321 -8.064 1.00 0.00 C ATOM 1384 O ALA B 29 -5.411 0.940 -8.090 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.201 2.830 -9.761 1.00 0.00 C ATOM 0 H ALA B 29 -2.049 3.566 -7.745 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.775 3.370 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.890 2.457 -10.519 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.938 3.863 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.299 2.218 -9.759 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.214 0.525 -7.744 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.418 -0.852 -7.420 1.00 0.00 C ATOM 1393 C PHE B 30 -4.063 -0.994 -6.036 1.00 0.00 C ATOM 1394 O PHE B 30 -4.998 -1.772 -5.865 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.070 -1.582 -7.499 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.539 -1.533 -8.933 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.254 -2.116 -10.011 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.333 -0.860 -9.197 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.750 -2.018 -11.309 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.150 -0.767 -10.497 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.555 -1.343 -11.554 1.00 0.00 C ATOM 0 H PHE B 30 -2.241 0.829 -7.708 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.105 -1.305 -8.135 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.354 -1.118 -6.820 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.187 -2.618 -7.180 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.184 -2.633 -9.828 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.221 -0.413 -8.385 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.289 -2.468 -12.129 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.076 -0.246 -10.690 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.175 -1.266 -12.562 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.584 -0.211 -5.061 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.138 -0.250 -3.701 1.00 0.00 C ATOM 1413 C ILE B 31 -5.629 0.083 -3.735 1.00 0.00 C ATOM 1414 O ILE B 31 -6.451 -0.622 -3.153 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.407 0.766 -2.801 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.928 0.376 -2.639 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.058 0.806 -1.412 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.163 1.549 -2.013 1.00 0.00 C ATOM 0 H ILE B 31 -2.820 0.453 -5.186 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.000 -1.253 -3.297 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.477 1.746 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.840 -0.509 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.498 0.122 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.533 1.527 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.103 1.101 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.001 -0.182 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.114 1.278 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.242 2.422 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.589 1.782 -1.037 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.957 1.161 -4.432 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.336 1.602 -4.564 1.00 0.00 C ATOM 1432 C ASN B 32 -8.217 0.510 -5.178 1.00 0.00 C ATOM 1433 O ASN B 32 -9.391 0.403 -4.838 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.383 2.856 -5.437 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.772 3.485 -5.420 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.567 3.252 -4.508 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -9.102 4.281 -6.388 1.00 0.00 N ATOM 0 H ASN B 32 -5.280 1.750 -4.918 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.723 1.823 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.649 3.579 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.108 2.601 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -10.024 4.718 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.440 4.471 -7.141 1.00 0.00 H new ATOM 1444 N SER B 33 -7.644 -0.308 -6.072 1.00 0.00 N ATOM 1445 CA SER B 33 -8.398 -1.383 -6.698 1.00 0.00 C ATOM 1446 C SER B 33 -8.809 -2.398 -5.656 1.00 0.00 C ATOM 1447 O SER B 33 -9.900 -2.960 -5.713 1.00 0.00 O ATOM 1448 CB SER B 33 -7.545 -2.080 -7.708 1.00 0.00 C ATOM 1449 OG SER B 33 -6.967 -1.134 -8.597 1.00 0.00 O ATOM 0 H SER B 33 -6.671 -0.241 -6.370 1.00 0.00 H new ATOM 0 HA SER B 33 -9.278 -0.953 -7.176 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.760 -2.644 -7.205 1.00 0.00 H new ATOM 0 HB3 SER B 33 -8.144 -2.798 -8.268 1.00 0.00 H new ATOM 0 HG SER B 33 -6.239 -0.660 -8.143 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.914 -2.620 -4.696 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.190 -3.561 -3.624 1.00 0.00 C ATOM 1457 C LEU B 34 -9.376 -3.009 -2.856 1.00 0.00 C ATOM 1458 O LEU B 34 -10.304 -3.726 -2.489 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.969 -3.709 -2.704 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.657 -3.646 -3.511 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.472 -3.882 -2.597 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.639 -4.696 -4.607 1.00 0.00 C ATOM 0 H LEU B 34 -7.003 -2.165 -4.642 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.410 -4.552 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.977 -2.918 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.026 -4.657 -2.169 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.593 -2.656 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.550 -3.835 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.452 -3.116 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.560 -4.865 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.702 -4.629 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.728 -5.687 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.474 -4.527 -5.286 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.332 -1.694 -2.689 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.412 -0.947 -2.038 1.00 0.00 C ATOM 1476 C ARG B 35 -11.691 -1.107 -2.848 1.00 0.00 C ATOM 1477 O ARG B 35 -12.767 -1.346 -2.299 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.018 0.538 -1.992 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.252 1.132 -0.595 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.064 2.020 -0.204 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.775 1.877 1.215 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.550 2.439 2.132 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.347 3.675 2.486 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.514 1.754 2.675 1.00 0.00 N ATOM 0 H ARG B 35 -8.553 -1.113 -2.998 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.575 -1.322 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.968 0.647 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.598 1.094 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.173 1.716 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.376 0.332 0.135 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.187 1.746 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.288 3.062 -0.434 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.962 1.335 1.509 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.592 4.211 2.058 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.943 4.108 3.192 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.672 0.786 2.395 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.111 2.185 3.381 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.539 -0.982 -4.164 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.649 -1.117 -5.097 1.00 0.00 C ATOM 1500 C ASP B 36 -13.221 -2.533 -5.035 1.00 0.00 C ATOM 1501 O ASP B 36 -14.436 -2.725 -5.093 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.144 -0.802 -6.516 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.653 0.653 -6.620 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.105 1.485 -5.845 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.822 0.914 -7.474 1.00 0.00 O ATOM 0 H ASP B 36 -10.644 -0.785 -4.611 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.443 -0.420 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.333 -1.482 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.945 -0.971 -7.236 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.322 -3.510 -4.898 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.704 -4.920 -4.807 1.00 0.00 C ATOM 1512 C ASP B 37 -11.505 -5.768 -4.393 1.00 0.00 C ATOM 1513 O ASP B 37 -10.637 -6.084 -5.210 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.262 -5.430 -6.149 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.789 -5.493 -6.095 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.303 -6.326 -5.364 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.422 -4.710 -6.783 1.00 0.00 O ATOM 0 H ASP B 37 -11.316 -3.348 -4.847 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.485 -5.007 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.946 -4.770 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.857 -6.418 -6.368 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.447 -6.142 -3.137 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.342 -6.981 -2.607 1.00 0.00 C ATOM 1524 C PRO B 38 -10.329 -8.389 -3.212 1.00 0.00 C ATOM 1525 O PRO B 38 -9.402 -9.166 -2.971 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.584 -7.052 -1.098 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.814 -6.263 -0.789 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.428 -5.790 -2.099 1.00 0.00 C ATOM 0 HA PRO B 38 -9.375 -6.548 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.706 -8.087 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.728 -6.651 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.527 -6.874 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.568 -5.410 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.386 -6.276 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.614 -4.716 -2.081 1.00 0.00 H new ATOM 1536 N SER B 39 -11.370 -8.712 -3.988 1.00 0.00 N ATOM 1537 CA SER B 39 -11.487 -10.021 -4.615 1.00 0.00 C ATOM 1538 C SER B 39 -10.338 -10.259 -5.579 1.00 0.00 C ATOM 1539 O SER B 39 -9.778 -11.356 -5.627 1.00 0.00 O ATOM 1540 CB SER B 39 -12.812 -10.123 -5.378 1.00 0.00 C ATOM 1541 OG SER B 39 -13.894 -9.903 -4.484 1.00 0.00 O ATOM 0 H SER B 39 -12.142 -8.078 -4.193 1.00 0.00 H new ATOM 0 HA SER B 39 -11.456 -10.777 -3.830 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.837 -9.389 -6.183 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.903 -11.106 -5.840 1.00 0.00 H new ATOM 0 HG SER B 39 -13.694 -9.133 -3.912 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.004 -9.227 -6.358 1.00 0.00 N ATOM 1548 CA GLN B 40 -8.936 -9.338 -7.335 1.00 0.00 C ATOM 1549 C GLN B 40 -7.708 -8.550 -6.912 1.00 0.00 C ATOM 1550 O GLN B 40 -6.972 -8.056 -7.764 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.409 -8.885 -8.735 1.00 0.00 C ATOM 1552 CG GLN B 40 -10.948 -8.816 -8.828 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.448 -7.401 -8.528 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -10.724 -6.592 -7.805 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.535 -7.025 -8.966 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.458 -8.314 -6.326 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.659 -10.391 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -8.987 -7.906 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.030 -9.577 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.270 -9.117 -9.825 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.391 -9.520 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.103 -7.656 -9.532 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.868 -6.082 -8.763 1.00 0.00 H new ATOM 1564 N SER B 41 -7.463 -8.444 -5.602 1.00 0.00 N ATOM 1565 CA SER B 41 -6.293 -7.716 -5.137 1.00 0.00 C ATOM 1566 C SER B 41 -5.040 -8.302 -5.751 1.00 0.00 C ATOM 1567 O SER B 41 -4.107 -7.583 -6.087 1.00 0.00 O ATOM 1568 CB SER B 41 -6.193 -7.778 -3.610 1.00 0.00 C ATOM 1569 OG SER B 41 -7.264 -7.050 -3.037 1.00 0.00 O ATOM 0 H SER B 41 -8.046 -8.844 -4.867 1.00 0.00 H new ATOM 0 HA SER B 41 -6.393 -6.674 -5.442 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.223 -8.815 -3.275 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.240 -7.364 -3.280 1.00 0.00 H new ATOM 0 HG SER B 41 -7.597 -7.525 -2.247 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.067 -9.611 -5.905 1.00 0.00 N ATOM 1576 CA ALA B 42 -3.972 -10.357 -6.496 1.00 0.00 C ATOM 1577 C ALA B 42 -3.883 -10.098 -7.997 1.00 0.00 C ATOM 1578 O ALA B 42 -2.810 -10.209 -8.587 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.218 -11.847 -6.265 1.00 0.00 C ATOM 0 H ALA B 42 -5.856 -10.192 -5.621 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.038 -10.040 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.403 -12.423 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.268 -12.046 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.159 -12.137 -6.732 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.035 -9.789 -8.601 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.132 -9.552 -10.037 1.00 0.00 C ATOM 1587 C ASN B 43 -4.470 -8.262 -10.457 1.00 0.00 C ATOM 1588 O ASN B 43 -3.630 -8.247 -11.350 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.587 -9.462 -10.408 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.763 -9.520 -11.923 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.007 -8.494 -12.559 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.653 -10.662 -12.542 1.00 0.00 N ATOM 0 H ASN B 43 -5.922 -9.697 -8.106 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.626 -10.376 -10.540 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.137 -10.279 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.009 -8.533 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.769 -10.707 -13.554 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.451 -11.511 -12.014 1.00 0.00 H new ATOM 1599 N LEU B 44 -4.857 -7.170 -9.815 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.272 -5.909 -10.146 1.00 0.00 C ATOM 1601 C LEU B 44 -2.883 -5.858 -9.548 1.00 0.00 C ATOM 1602 O LEU B 44 -1.988 -5.230 -10.087 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.203 -4.725 -9.850 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.360 -4.347 -8.389 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.292 -5.319 -7.676 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.043 -4.258 -7.644 1.00 0.00 C ATOM 0 H LEU B 44 -5.561 -7.144 -9.078 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.143 -5.807 -11.224 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.833 -3.854 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.189 -4.955 -10.252 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.795 -3.348 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.390 -5.028 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.273 -5.298 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.881 -6.327 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.230 -3.984 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.539 -5.224 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.411 -3.502 -8.111 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.686 -6.615 -8.469 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.364 -6.741 -7.897 1.00 0.00 C ATOM 1620 C LEU B 45 -0.537 -7.389 -8.989 1.00 0.00 C ATOM 1621 O LEU B 45 0.636 -7.079 -9.206 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.405 -7.640 -6.653 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.038 -8.289 -6.402 1.00 0.00 C ATOM 1624 CD1 LEU B 45 1.028 -7.205 -6.222 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.119 -9.183 -5.155 1.00 0.00 C ATOM 0 H LEU B 45 -3.417 -7.138 -7.987 1.00 0.00 H new ATOM 0 HA LEU B 45 -0.955 -5.782 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.698 -7.052 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.161 -8.414 -6.783 1.00 0.00 H new ATOM 0 HG LEU B 45 0.239 -8.904 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.996 -7.673 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.081 -6.593 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.767 -6.576 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.852 -9.645 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.399 -8.579 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.867 -9.960 -5.312 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.225 -8.265 -9.713 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.631 -8.950 -10.843 1.00 0.00 C ATOM 1639 C ALA B 46 -0.298 -7.897 -11.895 1.00 0.00 C ATOM 1640 O ALA B 46 0.775 -7.899 -12.490 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.605 -9.992 -11.416 1.00 0.00 C ATOM 0 H ALA B 46 -2.197 -8.514 -9.532 1.00 0.00 H new ATOM 0 HA ALA B 46 0.270 -9.480 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.141 -10.496 -12.264 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -1.848 -10.725 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.518 -9.495 -11.744 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.232 -6.966 -12.065 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.070 -5.851 -12.982 1.00 0.00 C ATOM 1649 C GLU B 47 0.085 -4.969 -12.525 1.00 0.00 C ATOM 1650 O GLU B 47 0.741 -4.317 -13.334 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.338 -4.979 -13.020 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.522 -5.727 -13.622 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.212 -6.215 -15.040 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.788 -5.408 -15.852 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.401 -7.394 -15.291 1.00 0.00 O ATOM 0 H GLU B 47 -2.123 -6.967 -11.568 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.877 -6.264 -13.972 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.588 -4.657 -12.009 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.143 -4.079 -13.603 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.776 -6.578 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.394 -5.074 -13.643 1.00 0.00 H new ATOM 1662 N ALA B 48 0.277 -4.920 -11.204 1.00 0.00 N ATOM 1663 CA ALA B 48 1.285 -4.089 -10.602 1.00 0.00 C ATOM 1664 C ALA B 48 2.656 -4.634 -10.854 1.00 0.00 C ATOM 1665 O ALA B 48 3.543 -3.911 -11.261 1.00 0.00 O ATOM 1666 CB ALA B 48 1.029 -4.052 -9.106 1.00 0.00 C ATOM 0 H ALA B 48 -0.270 -5.461 -10.534 1.00 0.00 H new ATOM 0 HA ALA B 48 1.234 -3.090 -11.036 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.781 -3.427 -8.624 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.038 -3.639 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.084 -5.063 -8.702 1.00 0.00 H new ATOM 1672 N LYS B 49 2.815 -5.920 -10.627 1.00 0.00 N ATOM 1673 CA LYS B 49 4.096 -6.552 -10.861 1.00 0.00 C ATOM 1674 C LYS B 49 4.400 -6.491 -12.353 1.00 0.00 C ATOM 1675 O LYS B 49 5.552 -6.347 -12.752 1.00 0.00 O ATOM 1676 CB LYS B 49 4.088 -7.969 -10.301 1.00 0.00 C ATOM 1677 CG LYS B 49 3.009 -8.796 -10.971 1.00 0.00 C ATOM 1678 CD LYS B 49 3.182 -10.287 -10.634 1.00 0.00 C ATOM 1679 CE LYS B 49 3.064 -10.522 -9.120 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.740 -10.041 -8.633 1.00 0.00 N ATOM 0 H LYS B 49 2.083 -6.543 -10.285 1.00 0.00 H new ATOM 0 HA LYS B 49 4.896 -6.027 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS B 49 5.061 -8.434 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.918 -7.941 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS B 49 2.027 -8.455 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS B 49 3.052 -8.654 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.426 -10.873 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.154 -10.633 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.179 -11.583 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.865 -9.998 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.680 -10.172 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.632 -9.032 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 0.982 -10.583 -9.095 1.00 0.00 H new ATOM 1694 N LYS B 50 3.338 -6.526 -13.168 1.00 0.00 N ATOM 1695 CA LYS B 50 3.488 -6.385 -14.610 1.00 0.00 C ATOM 1696 C LYS B 50 3.874 -4.952 -14.929 1.00 0.00 C ATOM 1697 O LYS B 50 4.681 -4.708 -15.817 1.00 0.00 O ATOM 1698 CB LYS B 50 2.198 -6.729 -15.339 1.00 0.00 C ATOM 1699 CG LYS B 50 1.999 -8.253 -15.375 1.00 0.00 C ATOM 1700 CD LYS B 50 0.936 -8.625 -16.421 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.442 -8.077 -16.022 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.892 -8.715 -14.752 1.00 0.00 N ATOM 0 H LYS B 50 2.376 -6.650 -12.851 1.00 0.00 H new ATOM 0 HA LYS B 50 4.262 -7.075 -14.944 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.352 -6.256 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.229 -6.335 -16.355 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.942 -8.745 -15.614 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.693 -8.610 -14.392 1.00 0.00 H new ATOM 0 HD2 LYS B 50 1.222 -8.226 -17.394 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.885 -9.709 -16.524 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.391 -6.995 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -1.165 -8.273 -16.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.810 -8.316 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.990 -9.741 -14.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.191 -8.535 -14.005 1.00 0.00 H new ATOM 1716 N LEU B 51 3.297 -4.007 -14.181 1.00 0.00 N ATOM 1717 CA LEU B 51 3.612 -2.596 -14.380 1.00 0.00 C ATOM 1718 C LEU B 51 5.019 -2.346 -13.925 1.00 0.00 C ATOM 1719 O LEU B 51 5.793 -1.641 -14.571 1.00 0.00 O ATOM 1720 CB LEU B 51 2.650 -1.709 -13.588 1.00 0.00 C ATOM 1721 CG LEU B 51 1.751 -0.954 -14.554 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.608 0.052 -15.342 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.057 -1.955 -15.500 1.00 0.00 C ATOM 0 H LEU B 51 2.619 -4.193 -13.442 1.00 0.00 H new ATOM 0 HA LEU B 51 3.509 -2.353 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.048 -2.318 -12.913 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.210 -1.007 -12.970 1.00 0.00 H new ATOM 0 HG LEU B 51 0.978 -0.410 -14.011 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.975 0.601 -16.039 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.077 0.751 -14.650 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.380 -0.483 -15.896 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.412 -1.414 -16.193 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.810 -2.507 -16.062 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.457 -2.652 -14.915 1.00 0.00 H new ATOM 1735 N ASN B 52 5.345 -2.992 -12.828 1.00 0.00 N ATOM 1736 CA ASN B 52 6.667 -2.931 -12.276 1.00 0.00 C ATOM 1737 C ASN B 52 7.597 -3.457 -13.331 1.00 0.00 C ATOM 1738 O ASN B 52 8.629 -2.870 -13.639 1.00 0.00 O ATOM 1739 CB ASN B 52 6.713 -3.829 -11.049 1.00 0.00 C ATOM 1740 CG ASN B 52 8.145 -4.193 -10.702 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.787 -3.442 -9.887 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.680 -5.188 -11.189 1.00 0.00 N flip ATOM 0 H ASN B 52 4.696 -3.573 -12.298 1.00 0.00 H new ATOM 0 HA ASN B 52 6.948 -1.918 -11.987 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.247 -3.322 -10.204 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.137 -4.736 -11.234 1.00 0.00 H new ATOM 0 HD21 ASN B 52 8.161 -5.780 -11.837 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.643 -5.421 -10.945 1.00 0.00 H new ATOM 1749 N ASP B 53 7.157 -4.563 -13.897 1.00 0.00 N ATOM 1750 CA ASP B 53 7.896 -5.210 -14.974 1.00 0.00 C ATOM 1751 C ASP B 53 7.963 -4.278 -16.182 1.00 0.00 C ATOM 1752 O ASP B 53 8.965 -4.235 -16.898 1.00 0.00 O ATOM 1753 CB ASP B 53 7.228 -6.524 -15.389 1.00 0.00 C ATOM 1754 CG ASP B 53 8.168 -7.314 -16.302 1.00 0.00 C ATOM 1755 OD1 ASP B 53 9.015 -8.020 -15.780 1.00 0.00 O ATOM 1756 OD2 ASP B 53 8.032 -7.193 -17.509 1.00 0.00 O ATOM 0 H ASP B 53 6.293 -5.036 -13.633 1.00 0.00 H new ATOM 0 HA ASP B 53 8.901 -5.429 -14.613 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.983 -7.114 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.290 -6.319 -15.906 1.00 0.00 H new ATOM 1761 N ALA B 54 6.873 -3.534 -16.387 1.00 0.00 N ATOM 1762 CA ALA B 54 6.775 -2.595 -17.492 1.00 0.00 C ATOM 1763 C ALA B 54 7.809 -1.488 -17.328 1.00 0.00 C ATOM 1764 O ALA B 54 8.425 -1.052 -18.302 1.00 0.00 O ATOM 1765 CB ALA B 54 5.364 -2.004 -17.530 1.00 0.00 C ATOM 0 H ALA B 54 6.044 -3.569 -15.794 1.00 0.00 H new ATOM 0 HA ALA B 54 6.971 -3.114 -18.430 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.287 -1.299 -18.358 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.638 -2.805 -17.667 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.161 -1.486 -16.593 1.00 0.00 H new ATOM 1771 N GLN B 55 8.004 -1.056 -16.081 1.00 0.00 N ATOM 1772 CA GLN B 55 8.979 -0.017 -15.776 1.00 0.00 C ATOM 1773 C GLN B 55 10.349 -0.626 -15.484 1.00 0.00 C ATOM 1774 O GLN B 55 11.347 0.088 -15.372 1.00 0.00 O ATOM 1775 CB GLN B 55 8.491 0.771 -14.581 1.00 0.00 C ATOM 1776 CG GLN B 55 7.216 1.526 -14.952 1.00 0.00 C ATOM 1777 CD GLN B 55 6.358 1.706 -13.716 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.863 0.651 -13.134 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.138 2.829 -13.263 1.00 0.00 N flip ATOM 0 H GLN B 55 7.499 -1.411 -15.269 1.00 0.00 H new ATOM 0 HA GLN B 55 9.085 0.642 -16.638 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.298 0.100 -13.744 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.260 1.472 -14.256 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.467 2.497 -15.378 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.664 0.976 -15.714 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.529 3.651 -13.724 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.565 2.938 -12.426 1.00 0.00 H new ATOM 1788 N ALA B 56 10.383 -1.956 -15.367 1.00 0.00 N ATOM 1789 CA ALA B 56 11.626 -2.676 -15.094 1.00 0.00 C ATOM 1790 C ALA B 56 12.520 -2.684 -16.321 1.00 0.00 C ATOM 1791 O ALA B 56 12.083 -2.339 -17.422 1.00 0.00 O ATOM 1792 CB ALA B 56 11.324 -4.120 -14.694 1.00 0.00 C ATOM 0 H ALA B 56 9.562 -2.555 -15.457 1.00 0.00 H new ATOM 0 HA ALA B 56 12.137 -2.166 -14.277 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.258 -4.645 -14.494 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.704 -4.127 -13.797 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.794 -4.619 -15.505 1.00 0.00 H new ATOM 1798 N PRO B 57 13.763 -3.071 -16.153 1.00 0.00 N ATOM 1799 CA PRO B 57 14.744 -3.124 -17.264 1.00 0.00 C ATOM 1800 C PRO B 57 14.571 -4.381 -18.117 1.00 0.00 C ATOM 1801 O PRO B 57 15.539 -4.958 -18.621 1.00 0.00 O ATOM 1802 CB PRO B 57 16.106 -3.092 -16.549 1.00 0.00 C ATOM 1803 CG PRO B 57 15.824 -3.045 -15.079 1.00 0.00 C ATOM 1804 CD PRO B 57 14.386 -3.494 -14.896 1.00 0.00 C ATOM 0 HA PRO B 57 14.625 -2.301 -17.969 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.695 -3.974 -16.801 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.685 -2.222 -16.859 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.506 -3.697 -14.533 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.967 -2.037 -14.690 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.312 -4.571 -14.748 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.919 -3.021 -14.032 1.00 0.00 H new ATOM 1812 N LYS B 58 13.317 -4.782 -18.270 1.00 0.00 N ATOM 1813 CA LYS B 58 12.966 -5.962 -19.057 1.00 0.00 C ATOM 1814 C LYS B 58 12.761 -5.589 -20.526 1.00 0.00 C ATOM 1815 O LYS B 58 12.111 -4.586 -20.780 1.00 0.00 O ATOM 1816 CB LYS B 58 11.690 -6.598 -18.496 1.00 0.00 C ATOM 1817 CG LYS B 58 12.049 -7.688 -17.475 1.00 0.00 C ATOM 1818 CD LYS B 58 12.454 -7.045 -16.136 1.00 0.00 C ATOM 1819 CE LYS B 58 13.803 -7.604 -15.666 1.00 0.00 C ATOM 1820 NZ LYS B 58 14.903 -6.940 -16.423 1.00 0.00 N ATOM 1821 OXT LYS B 58 13.257 -6.311 -21.376 1.00 0.00 O ATOM 0 H LYS B 58 12.517 -4.304 -17.856 1.00 0.00 H new ATOM 0 HA LYS B 58 13.785 -6.679 -18.994 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.072 -5.835 -18.023 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.102 -7.028 -19.307 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.198 -8.352 -17.326 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.867 -8.299 -17.856 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.520 -5.963 -16.249 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.689 -7.241 -15.384 1.00 0.00 H new ATOM 0 HE2 LYS B 58 13.928 -7.433 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS B 58 13.837 -8.682 -15.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 15.821 -7.280 -16.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 14.814 -7.166 -17.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 14.842 -5.910 -16.292 1.00 0.00 H new TER 1835 LYS B 58