USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN : amide:sc= -1.43 K(o=-6.3,f=-4) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.84! C(o=-6.3!,f=-12!) USER MOD Set 2.1: B 26 GLN : amide:sc= -8.86! C(o=-16!,f=-3.4!) USER MOD Set 2.2: B 55 GLN : amide:sc= -6.96! C(o=-16!,f=-3.4!) USER MOD Set 3.1: B 1 VAL N :NH3+ -177:sc= -0.353 (180deg=-0.946) USER MOD Set 3.2: B 6 ASN : amide:sc= -0.703! C(o=-1.1!,f=-12!) USER MOD Set 4.1: A 21 ASN : amide:sc= -1.66 X(o=-10,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -8.57! C(o=-10!,f=-18!) USER MOD Set 5.1: A 23 ASN : amide:sc= -4.1! C(o=-19!,f=-16!) USER MOD Set 5.2: A 26 GLN : amide:sc= -6.13! K(o=-19!,f=-8.2) USER MOD Set 5.3: A 55 GLN : amide:sc= -8.27! C(o=-19!,f=-8.2!) USER MOD Set 6.1: A 13 THR OG1 : rot 118:sc= -2.38 USER MOD Set 6.2: B 17 MET CE :methyl -127:sc= -11.6! (180deg=-11.6!) USER MOD Set 7.1: A 7 LYS NZ :NH3+ 174:sc= -2.48 (180deg=-0.903) USER MOD Set 7.2: B 7 LYS NZ :NH3+ -146:sc= -1.52 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.0783 (180deg=-0.765) USER MOD Single : A 3 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= 1.02 (180deg=-0.0961) USER MOD Single : A 6 ASN : amide:sc= -3.07 K(o=-3.1,f=-9.1!) USER MOD Single : A 18 ASN : amide:sc= -4.32 K(o=-4.3,f=-2.2) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -0.726 (180deg=-0.98) USER MOD Single : A 33 SER OG : rot 74:sc= 1.07 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.35 K(o=-1.4,f=0) USER MOD Single : A 41 SER OG : rot -93:sc= 0.593 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -1.47 (180deg=-1.56) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0.662 (180deg=0.375) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 0.357 (180deg=-1.47!) USER MOD Single : B 3 ASN : amide:sc= -0.924 K(o=-0.92,f=-4.7!) USER MOD Single : B 4 LYS NZ :NH3+ -152:sc= 0.563 (180deg=-0.621) USER MOD Single : B 23 ASN : amide:sc= -8.99! C(o=-9!,f=-19!) USER MOD Single : B 24 SER OG : rot 172:sc= 0.448 USER MOD Single : B 32 ASN : amide:sc= -0.0321 K(o=-0.032,f=-0.79) USER MOD Single : B 33 SER OG : rot 89:sc= 0.0598 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.926 K(o=-0.93,f=-0.039) USER MOD Single : B 41 SER OG : rot -95:sc= -3! USER MOD Single : B 43 ASN : amide:sc= -0.704 K(o=-0.7,f=-0.039) USER MOD Single : B 49 LYS NZ :NH3+ 150:sc= -0.814 (180deg=-1.72) USER MOD Single : B 50 LYS NZ :NH3+ 162:sc= 0.589 (180deg=0.213) USER MOD Single : B 58 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.349 -18.994 7.596 1.00 0.00 N ATOM 2 CA VAL A 1 3.301 -17.865 7.808 1.00 0.00 C ATOM 3 C VAL A 1 3.533 -17.149 6.477 1.00 0.00 C ATOM 4 O VAL A 1 3.428 -17.757 5.408 1.00 0.00 O ATOM 5 CB VAL A 1 4.631 -18.409 8.359 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.580 -17.247 8.688 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.368 -19.224 9.635 1.00 0.00 C ATOM 0 H1 VAL A 1 1.926 -19.267 8.506 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.598 -18.697 6.940 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.858 -19.807 7.194 1.00 0.00 H new ATOM 0 HA VAL A 1 2.886 -17.159 8.527 1.00 0.00 H new ATOM 0 HB VAL A 1 5.090 -19.047 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.518 -17.642 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.776 -16.671 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.120 -16.602 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.312 -19.608 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.901 -18.586 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.705 -20.058 9.404 1.00 0.00 H new ATOM 19 N ASP A 2 3.848 -15.857 6.557 1.00 0.00 N ATOM 20 CA ASP A 2 4.098 -15.047 5.364 1.00 0.00 C ATOM 21 C ASP A 2 5.060 -13.902 5.685 1.00 0.00 C ATOM 22 O ASP A 2 5.502 -13.750 6.826 1.00 0.00 O ATOM 23 CB ASP A 2 2.772 -14.483 4.826 1.00 0.00 C ATOM 24 CG ASP A 2 2.109 -13.589 5.875 1.00 0.00 C ATOM 25 OD1 ASP A 2 2.406 -12.403 5.890 1.00 0.00 O ATOM 26 OD2 ASP A 2 1.317 -14.103 6.648 1.00 0.00 O ATOM 0 H ASP A 2 3.936 -15.348 7.436 1.00 0.00 H new ATOM 0 HA ASP A 2 4.553 -15.680 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.955 -13.912 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.102 -15.301 4.560 1.00 0.00 H new ATOM 31 N ASN A 3 5.367 -13.096 4.669 1.00 0.00 N ATOM 32 CA ASN A 3 6.267 -11.956 4.836 1.00 0.00 C ATOM 33 C ASN A 3 5.606 -10.895 5.716 1.00 0.00 C ATOM 34 O ASN A 3 4.709 -10.177 5.270 1.00 0.00 O ATOM 35 CB ASN A 3 6.592 -11.360 3.463 1.00 0.00 C ATOM 36 CG ASN A 3 7.517 -12.292 2.686 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.703 -12.391 2.996 1.00 0.00 O ATOM 38 ND2 ASN A 3 7.042 -12.985 1.690 1.00 0.00 N ATOM 0 H ASN A 3 5.006 -13.212 3.722 1.00 0.00 H new ATOM 0 HA ASN A 3 7.187 -12.290 5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.672 -11.199 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.065 -10.386 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.654 -13.611 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.058 -12.902 1.434 1.00 0.00 H new ATOM 45 N LYS A 4 6.044 -10.820 6.976 1.00 0.00 N ATOM 46 CA LYS A 4 5.474 -9.860 7.923 1.00 0.00 C ATOM 47 C LYS A 4 5.757 -8.416 7.505 1.00 0.00 C ATOM 48 O LYS A 4 4.847 -7.596 7.484 1.00 0.00 O ATOM 49 CB LYS A 4 6.012 -10.110 9.346 1.00 0.00 C ATOM 50 CG LYS A 4 7.514 -10.439 9.321 1.00 0.00 C ATOM 51 CD LYS A 4 8.157 -9.980 10.637 1.00 0.00 C ATOM 52 CE LYS A 4 8.512 -8.485 10.564 1.00 0.00 C ATOM 53 NZ LYS A 4 7.797 -7.749 11.647 1.00 0.00 N ATOM 0 H LYS A 4 6.784 -11.407 7.361 1.00 0.00 H new ATOM 0 HA LYS A 4 4.394 -10.007 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.840 -9.228 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.464 -10.933 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.661 -11.511 9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.993 -9.943 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.472 -10.158 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.055 -10.565 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.589 -8.351 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.233 -8.081 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.450 -7.079 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.993 -7.229 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.449 -8.426 12.355 1.00 0.00 H new ATOM 67 N PHE A 5 7.014 -8.109 7.167 1.00 0.00 N ATOM 68 CA PHE A 5 7.381 -6.757 6.757 1.00 0.00 C ATOM 69 C PHE A 5 6.612 -6.365 5.499 1.00 0.00 C ATOM 70 O PHE A 5 6.156 -5.236 5.380 1.00 0.00 O ATOM 71 CB PHE A 5 8.902 -6.645 6.535 1.00 0.00 C ATOM 72 CG PHE A 5 9.289 -7.133 5.152 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.424 -8.506 4.905 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.518 -6.209 4.118 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.784 -8.956 3.630 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.880 -6.662 2.848 1.00 0.00 C ATOM 77 CZ PHE A 5 10.013 -8.034 2.604 1.00 0.00 C ATOM 0 H PHE A 5 7.786 -8.775 7.170 1.00 0.00 H new ATOM 0 HA PHE A 5 7.112 -6.065 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.215 -5.608 6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.427 -7.230 7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.250 -9.217 5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.414 -5.150 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.885 -10.014 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.058 -5.953 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.293 -8.381 1.621 1.00 0.00 H new ATOM 87 N ASN A 6 6.460 -7.320 4.576 1.00 0.00 N ATOM 88 CA ASN A 6 5.716 -7.075 3.341 1.00 0.00 C ATOM 89 C ASN A 6 4.260 -6.813 3.671 1.00 0.00 C ATOM 90 O ASN A 6 3.657 -5.875 3.162 1.00 0.00 O ATOM 91 CB ASN A 6 5.798 -8.307 2.443 1.00 0.00 C ATOM 92 CG ASN A 6 5.053 -8.088 1.125 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.647 -7.681 0.135 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.777 -8.352 1.050 1.00 0.00 N ATOM 0 H ASN A 6 6.840 -8.263 4.661 1.00 0.00 H new ATOM 0 HA ASN A 6 6.144 -6.212 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.843 -8.540 2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.376 -9.167 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.280 -8.219 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.277 -8.691 1.872 1.00 0.00 H new ATOM 101 N LYS A 7 3.713 -7.648 4.553 1.00 0.00 N ATOM 102 CA LYS A 7 2.336 -7.503 4.968 1.00 0.00 C ATOM 103 C LYS A 7 2.186 -6.174 5.677 1.00 0.00 C ATOM 104 O LYS A 7 1.224 -5.458 5.465 1.00 0.00 O ATOM 105 CB LYS A 7 1.940 -8.664 5.893 1.00 0.00 C ATOM 106 CG LYS A 7 0.417 -8.689 6.074 1.00 0.00 C ATOM 107 CD LYS A 7 -0.010 -9.994 6.757 1.00 0.00 C ATOM 108 CE LYS A 7 -0.467 -11.002 5.699 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.814 -12.287 6.358 1.00 0.00 N ATOM 0 H LYS A 7 4.208 -8.427 4.988 1.00 0.00 H new ATOM 0 HA LYS A 7 1.676 -7.527 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.281 -9.610 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.429 -8.553 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.100 -7.835 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.074 -8.599 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.821 -10.405 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.818 -9.800 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.330 -10.613 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.324 -11.159 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.220 -12.938 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.043 -12.710 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.509 -12.114 7.112 1.00 0.00 H new ATOM 123 N GLU A 8 3.173 -5.840 6.496 1.00 0.00 N ATOM 124 CA GLU A 8 3.154 -4.578 7.217 1.00 0.00 C ATOM 125 C GLU A 8 3.356 -3.411 6.254 1.00 0.00 C ATOM 126 O GLU A 8 2.691 -2.386 6.360 1.00 0.00 O ATOM 127 CB GLU A 8 4.233 -4.577 8.297 1.00 0.00 C ATOM 128 CG GLU A 8 3.837 -5.529 9.435 1.00 0.00 C ATOM 129 CD GLU A 8 5.036 -5.780 10.349 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.907 -6.540 9.956 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.070 -5.209 11.427 1.00 0.00 O ATOM 0 H GLU A 8 3.991 -6.422 6.676 1.00 0.00 H new ATOM 0 HA GLU A 8 2.182 -4.460 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.187 -4.885 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.369 -3.568 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.015 -5.101 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.480 -6.473 9.023 1.00 0.00 H new ATOM 138 N LEU A 9 4.241 -3.615 5.287 1.00 0.00 N ATOM 139 CA LEU A 9 4.505 -2.620 4.243 1.00 0.00 C ATOM 140 C LEU A 9 3.209 -2.377 3.503 1.00 0.00 C ATOM 141 O LEU A 9 2.850 -1.243 3.200 1.00 0.00 O ATOM 142 CB LEU A 9 5.594 -3.152 3.292 1.00 0.00 C ATOM 143 CG LEU A 9 5.718 -2.256 2.045 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.479 -0.966 2.341 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.466 -3.002 0.962 1.00 0.00 C ATOM 0 H LEU A 9 4.795 -4.467 5.200 1.00 0.00 H new ATOM 0 HA LEU A 9 4.863 -1.684 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.550 -3.192 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.353 -4.171 2.990 1.00 0.00 H new ATOM 0 HG LEU A 9 4.707 -2.001 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.543 -0.365 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.955 -0.403 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.484 -1.208 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.554 -2.369 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.461 -3.264 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.922 -3.911 0.704 1.00 0.00 H new ATOM 157 N GLY A 10 2.490 -3.459 3.255 1.00 0.00 N ATOM 158 CA GLY A 10 1.227 -3.369 2.597 1.00 0.00 C ATOM 159 C GLY A 10 0.182 -2.825 3.547 1.00 0.00 C ATOM 160 O GLY A 10 -0.693 -2.058 3.158 1.00 0.00 O ATOM 0 H GLY A 10 2.773 -4.406 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.308 -2.721 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.925 -4.352 2.237 1.00 0.00 H new ATOM 164 N TRP A 11 0.242 -3.255 4.799 1.00 0.00 N ATOM 165 CA TRP A 11 -0.751 -2.810 5.743 1.00 0.00 C ATOM 166 C TRP A 11 -0.635 -1.362 6.102 1.00 0.00 C ATOM 167 O TRP A 11 -1.624 -0.631 6.039 1.00 0.00 O ATOM 168 CB TRP A 11 -0.816 -3.659 6.995 1.00 0.00 C ATOM 169 CG TRP A 11 -2.269 -3.755 7.395 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.705 -3.790 8.661 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.485 -3.787 6.543 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.088 -3.882 8.659 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.610 -3.870 7.383 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.722 -3.762 5.139 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.910 -3.922 6.868 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.008 -3.807 4.622 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.111 -3.885 5.481 1.00 0.00 C ATOM 0 H TRP A 11 0.948 -3.892 5.169 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.692 -2.937 5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.402 -4.650 6.810 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.226 -3.211 7.794 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.080 -3.753 9.541 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.654 -3.951 9.504 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.882 -3.707 4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.755 -3.990 7.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.159 -3.782 3.553 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.112 -3.917 5.077 1.00 0.00 H new ATOM 188 N ALA A 12 0.549 -0.941 6.480 1.00 0.00 N ATOM 189 CA ALA A 12 0.731 0.435 6.846 1.00 0.00 C ATOM 190 C ALA A 12 0.302 1.312 5.672 1.00 0.00 C ATOM 191 O ALA A 12 -0.345 2.332 5.857 1.00 0.00 O ATOM 192 CB ALA A 12 2.188 0.684 7.222 1.00 0.00 C ATOM 0 H ALA A 12 1.384 -1.523 6.540 1.00 0.00 H new ATOM 0 HA ALA A 12 0.120 0.682 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.319 1.730 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.460 0.049 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.828 0.451 6.371 1.00 0.00 H new ATOM 198 N THR A 13 0.610 0.851 4.457 1.00 0.00 N ATOM 199 CA THR A 13 0.210 1.548 3.241 1.00 0.00 C ATOM 200 C THR A 13 -1.301 1.745 3.224 1.00 0.00 C ATOM 201 O THR A 13 -1.780 2.843 2.964 1.00 0.00 O ATOM 202 CB THR A 13 0.645 0.692 2.055 1.00 0.00 C ATOM 203 OG1 THR A 13 2.027 0.877 1.844 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.127 1.063 0.793 1.00 0.00 C ATOM 0 H THR A 13 1.138 -0.006 4.293 1.00 0.00 H new ATOM 0 HA THR A 13 0.677 2.532 3.191 1.00 0.00 H new ATOM 0 HB THR A 13 0.434 -0.354 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.494 0.024 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.205 0.436 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.193 0.909 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.054 2.110 0.550 1.00 0.00 H new ATOM 212 N TRP A 14 -2.025 0.671 3.522 1.00 0.00 N ATOM 213 CA TRP A 14 -3.485 0.694 3.558 1.00 0.00 C ATOM 214 C TRP A 14 -3.999 1.595 4.667 1.00 0.00 C ATOM 215 O TRP A 14 -4.914 2.381 4.465 1.00 0.00 O ATOM 216 CB TRP A 14 -3.969 -0.714 3.836 1.00 0.00 C ATOM 217 CG TRP A 14 -5.427 -0.871 3.540 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.405 -0.901 4.472 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.087 -1.052 2.256 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.608 -1.150 3.856 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.468 -1.247 2.494 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.638 -1.085 0.921 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.355 -1.479 1.459 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.531 -1.310 -0.113 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.879 -1.515 0.153 1.00 0.00 C ATOM 0 H TRP A 14 -1.619 -0.238 3.745 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.852 1.072 2.604 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.398 -1.420 3.233 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.782 -0.963 4.881 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.264 -0.753 5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.495 -1.250 4.350 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.591 -0.934 0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.405 -1.630 1.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.177 -1.326 -1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.563 -1.704 -0.661 1.00 0.00 H new ATOM 236 N GLU A 15 -3.405 1.452 5.844 1.00 0.00 N ATOM 237 CA GLU A 15 -3.809 2.236 7.001 1.00 0.00 C ATOM 238 C GLU A 15 -3.609 3.723 6.708 1.00 0.00 C ATOM 239 O GLU A 15 -4.462 4.549 7.037 1.00 0.00 O ATOM 240 CB GLU A 15 -2.995 1.778 8.212 1.00 0.00 C ATOM 241 CG GLU A 15 -3.350 0.312 8.533 1.00 0.00 C ATOM 242 CD GLU A 15 -2.374 -0.252 9.564 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.597 -0.038 10.743 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.414 -0.888 9.155 1.00 0.00 O ATOM 0 H GLU A 15 -2.641 0.800 6.022 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.866 2.085 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.929 1.870 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.209 2.414 9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.369 0.252 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.315 -0.286 7.623 1.00 0.00 H new ATOM 251 N ILE A 16 -2.508 4.036 6.023 1.00 0.00 N ATOM 252 CA ILE A 16 -2.218 5.409 5.606 1.00 0.00 C ATOM 253 C ILE A 16 -3.227 5.805 4.518 1.00 0.00 C ATOM 254 O ILE A 16 -3.689 6.945 4.455 1.00 0.00 O ATOM 255 CB ILE A 16 -0.771 5.479 5.052 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.233 5.160 6.172 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.460 6.874 4.487 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.647 4.971 5.594 1.00 0.00 C ATOM 0 H ILE A 16 -1.801 3.356 5.745 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.302 6.095 6.449 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.684 4.747 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.238 5.968 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.075 4.256 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.561 6.893 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.154 7.102 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.567 7.618 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.343 4.746 6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.641 4.147 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.959 5.886 5.090 1.00 0.00 H new ATOM 270 N PHE A 17 -3.561 4.820 3.681 1.00 0.00 N ATOM 271 CA PHE A 17 -4.521 4.987 2.586 1.00 0.00 C ATOM 272 C PHE A 17 -5.922 5.257 3.144 1.00 0.00 C ATOM 273 O PHE A 17 -6.686 6.048 2.588 1.00 0.00 O ATOM 274 CB PHE A 17 -4.558 3.678 1.773 1.00 0.00 C ATOM 275 CG PHE A 17 -4.755 3.928 0.297 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.652 4.210 -0.520 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.032 3.822 -0.264 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.826 4.385 -1.892 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.207 4.007 -1.638 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.106 4.285 -2.449 1.00 0.00 C ATOM 0 H PHE A 17 -3.172 3.879 3.744 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.218 5.828 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.628 3.131 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.364 3.045 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.666 4.292 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.882 3.597 0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.976 4.597 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.193 3.935 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.242 4.424 -3.511 1.00 0.00 H new ATOM 290 N ASN A 18 -6.245 4.550 4.229 1.00 0.00 N ATOM 291 CA ASN A 18 -7.553 4.646 4.875 1.00 0.00 C ATOM 292 C ASN A 18 -7.611 5.744 5.944 1.00 0.00 C ATOM 293 O ASN A 18 -8.627 5.865 6.635 1.00 0.00 O ATOM 294 CB ASN A 18 -7.900 3.293 5.522 1.00 0.00 C ATOM 295 CG ASN A 18 -8.184 2.230 4.456 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.224 1.576 4.495 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.318 2.009 3.507 1.00 0.00 N ATOM 0 H ASN A 18 -5.607 3.896 4.683 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.276 4.908 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.075 2.967 6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.771 3.407 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.505 1.296 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.453 2.549 3.470 1.00 0.00 H new ATOM 304 N LEU A 19 -6.551 6.553 6.089 1.00 0.00 N ATOM 305 CA LEU A 19 -6.580 7.614 7.094 1.00 0.00 C ATOM 306 C LEU A 19 -7.583 8.688 6.663 1.00 0.00 C ATOM 307 O LEU A 19 -7.618 9.064 5.489 1.00 0.00 O ATOM 308 CB LEU A 19 -5.196 8.230 7.304 1.00 0.00 C ATOM 309 CG LEU A 19 -4.504 7.576 8.515 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.120 8.158 8.654 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.264 7.866 9.811 1.00 0.00 C ATOM 0 H LEU A 19 -5.692 6.494 5.541 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.889 7.181 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.588 8.092 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.288 9.304 7.464 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.474 6.499 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.618 7.704 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.548 7.957 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.192 9.235 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.751 7.391 10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.306 8.943 9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.277 7.471 9.735 1.00 0.00 H new ATOM 323 N PRO A 20 -8.422 9.155 7.562 1.00 0.00 N ATOM 324 CA PRO A 20 -9.474 10.160 7.242 1.00 0.00 C ATOM 325 C PRO A 20 -9.007 11.619 7.112 1.00 0.00 C ATOM 326 O PRO A 20 -9.866 12.503 7.068 1.00 0.00 O ATOM 327 CB PRO A 20 -10.474 10.024 8.411 1.00 0.00 C ATOM 328 CG PRO A 20 -9.960 8.946 9.305 1.00 0.00 C ATOM 329 CD PRO A 20 -8.487 8.793 8.987 1.00 0.00 C ATOM 0 HA PRO A 20 -9.879 9.952 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.562 10.965 8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.468 9.775 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.106 9.208 10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.494 8.011 9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.870 9.450 9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.139 7.775 9.162 1.00 0.00 H new ATOM 337 N ASN A 21 -7.689 11.913 7.053 1.00 0.00 N ATOM 338 CA ASN A 21 -7.294 13.338 6.940 1.00 0.00 C ATOM 339 C ASN A 21 -6.038 13.572 6.101 1.00 0.00 C ATOM 340 O ASN A 21 -5.632 14.723 5.917 1.00 0.00 O ATOM 341 CB ASN A 21 -7.092 13.957 8.332 1.00 0.00 C ATOM 342 CG ASN A 21 -8.383 13.904 9.146 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.342 14.613 8.841 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.465 13.107 10.175 1.00 0.00 N ATOM 0 H ASN A 21 -6.926 11.237 7.079 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.119 13.824 6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.302 13.423 8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.764 14.992 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.323 13.072 10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.671 12.519 10.429 1.00 0.00 H new ATOM 351 N LEU A 22 -5.426 12.512 5.588 1.00 0.00 N ATOM 352 CA LEU A 22 -4.221 12.676 4.771 1.00 0.00 C ATOM 353 C LEU A 22 -4.562 13.083 3.349 1.00 0.00 C ATOM 354 O LEU A 22 -5.618 12.720 2.826 1.00 0.00 O ATOM 355 CB LEU A 22 -3.417 11.384 4.751 1.00 0.00 C ATOM 356 CG LEU A 22 -3.007 11.024 6.176 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.235 9.721 6.166 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.114 12.117 6.760 1.00 0.00 C ATOM 0 H LEU A 22 -5.732 11.548 5.716 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.626 13.471 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.010 10.579 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.533 11.502 4.125 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.906 10.925 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.942 9.464 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.863 8.929 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.343 9.831 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.828 11.849 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.219 12.222 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.657 13.062 6.773 1.00 0.00 H new ATOM 370 N ASN A 23 -3.648 13.831 2.727 1.00 0.00 N ATOM 371 CA ASN A 23 -3.845 14.279 1.355 1.00 0.00 C ATOM 372 C ASN A 23 -3.179 13.286 0.404 1.00 0.00 C ATOM 373 O ASN A 23 -2.312 12.513 0.818 1.00 0.00 O ATOM 374 CB ASN A 23 -3.292 15.709 1.182 1.00 0.00 C ATOM 375 CG ASN A 23 -1.834 15.699 0.730 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.564 15.558 -0.452 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.879 15.851 1.597 1.00 0.00 N ATOM 0 H ASN A 23 -2.772 14.135 3.151 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.908 14.314 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.896 16.247 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.377 16.249 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.094 15.852 1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.102 15.969 2.585 1.00 0.00 H new ATOM 384 N GLY A 24 -3.602 13.299 -0.860 1.00 0.00 N ATOM 385 CA GLY A 24 -3.061 12.376 -1.860 1.00 0.00 C ATOM 386 C GLY A 24 -1.533 12.327 -1.835 1.00 0.00 C ATOM 387 O GLY A 24 -0.947 11.250 -1.919 1.00 0.00 O ATOM 0 H GLY A 24 -4.315 13.936 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.458 11.377 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.397 12.680 -2.851 1.00 0.00 H new ATOM 391 N VAL A 25 -0.902 13.494 -1.715 1.00 0.00 N ATOM 392 CA VAL A 25 0.558 13.577 -1.680 1.00 0.00 C ATOM 393 C VAL A 25 1.122 12.974 -0.406 1.00 0.00 C ATOM 394 O VAL A 25 2.092 12.225 -0.467 1.00 0.00 O ATOM 395 CB VAL A 25 1.016 15.033 -1.795 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.550 15.098 -1.796 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.474 15.620 -3.098 1.00 0.00 C ATOM 0 H VAL A 25 -1.377 14.393 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 25 0.934 13.006 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 25 0.640 15.605 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.870 16.137 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.933 14.673 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.938 14.531 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.794 16.658 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.856 15.046 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.615 15.576 -3.092 1.00 0.00 H new ATOM 407 N GLN A 26 0.533 13.301 0.752 1.00 0.00 N ATOM 408 CA GLN A 26 1.043 12.754 2.001 1.00 0.00 C ATOM 409 C GLN A 26 0.927 11.240 2.000 1.00 0.00 C ATOM 410 O GLN A 26 1.883 10.546 2.336 1.00 0.00 O ATOM 411 CB GLN A 26 0.311 13.363 3.197 1.00 0.00 C ATOM 412 CG GLN A 26 1.190 14.469 3.809 1.00 0.00 C ATOM 413 CD GLN A 26 0.321 15.496 4.508 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.327 16.673 4.152 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.432 15.109 5.482 1.00 0.00 N ATOM 0 H GLN A 26 -0.271 13.922 0.844 1.00 0.00 H new ATOM 0 HA GLN A 26 2.098 13.014 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.648 13.775 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.100 12.595 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.895 14.034 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.779 14.950 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.430 14.131 5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.029 15.782 5.964 1.00 0.00 H new ATOM 424 N VAL A 27 -0.227 10.730 1.572 1.00 0.00 N ATOM 425 CA VAL A 27 -0.423 9.283 1.496 1.00 0.00 C ATOM 426 C VAL A 27 0.581 8.698 0.505 1.00 0.00 C ATOM 427 O VAL A 27 1.215 7.675 0.769 1.00 0.00 O ATOM 428 CB VAL A 27 -1.857 8.953 1.054 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.035 7.432 0.974 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.856 9.521 2.070 1.00 0.00 C ATOM 0 H VAL A 27 -1.029 11.287 1.277 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.265 8.846 2.482 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.038 9.397 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.053 7.201 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.330 7.021 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.848 6.992 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.872 9.285 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.670 9.080 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.737 10.603 2.131 1.00 0.00 H new ATOM 440 N LYS A 28 0.728 9.389 -0.625 1.00 0.00 N ATOM 441 CA LYS A 28 1.667 8.991 -1.671 1.00 0.00 C ATOM 442 C LYS A 28 3.096 9.015 -1.130 1.00 0.00 C ATOM 443 O LYS A 28 3.921 8.184 -1.496 1.00 0.00 O ATOM 444 CB LYS A 28 1.531 9.954 -2.871 1.00 0.00 C ATOM 445 CG LYS A 28 2.399 9.492 -4.048 1.00 0.00 C ATOM 446 CD LYS A 28 2.387 10.571 -5.140 1.00 0.00 C ATOM 447 CE LYS A 28 3.200 10.103 -6.353 1.00 0.00 C ATOM 448 NZ LYS A 28 4.655 10.180 -6.036 1.00 0.00 N ATOM 0 H LYS A 28 0.202 10.236 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 28 1.440 7.976 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.488 10.007 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.825 10.959 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.420 9.309 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.021 8.551 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.361 10.784 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.804 11.499 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.927 9.080 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.972 10.725 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.163 9.437 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.022 11.112 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.795 10.045 -5.014 1.00 0.00 H new ATOM 462 N ALA A 29 3.370 9.982 -0.258 1.00 0.00 N ATOM 463 CA ALA A 29 4.685 10.134 0.338 1.00 0.00 C ATOM 464 C ALA A 29 4.953 9.031 1.320 1.00 0.00 C ATOM 465 O ALA A 29 6.038 8.461 1.339 1.00 0.00 O ATOM 466 CB ALA A 29 4.778 11.460 1.064 1.00 0.00 C ATOM 0 H ALA A 29 2.689 10.676 0.051 1.00 0.00 H new ATOM 0 HA ALA A 29 5.423 10.094 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.768 11.563 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.609 12.274 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.023 11.498 1.849 1.00 0.00 H new ATOM 472 N PHE A 30 3.948 8.728 2.132 1.00 0.00 N ATOM 473 CA PHE A 30 4.079 7.683 3.098 1.00 0.00 C ATOM 474 C PHE A 30 4.295 6.387 2.348 1.00 0.00 C ATOM 475 O PHE A 30 5.119 5.565 2.745 1.00 0.00 O ATOM 476 CB PHE A 30 2.842 7.629 3.994 1.00 0.00 C ATOM 477 CG PHE A 30 2.705 8.929 4.779 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.815 9.471 5.454 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.467 9.600 4.833 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.685 10.663 6.163 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.351 10.790 5.546 1.00 0.00 C ATOM 482 CZ PHE A 30 2.456 11.320 6.206 1.00 0.00 C ATOM 0 H PHE A 30 3.043 9.198 2.129 1.00 0.00 H new ATOM 0 HA PHE A 30 4.930 7.863 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.951 7.466 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.918 6.787 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.767 8.963 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.608 9.191 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.537 11.079 6.680 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.402 11.303 5.587 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.361 12.245 6.755 1.00 0.00 H new ATOM 492 N ILE A 31 3.600 6.251 1.208 1.00 0.00 N ATOM 493 CA ILE A 31 3.776 5.084 0.365 1.00 0.00 C ATOM 494 C ILE A 31 5.177 5.092 -0.203 1.00 0.00 C ATOM 495 O ILE A 31 5.869 4.099 -0.165 1.00 0.00 O ATOM 496 CB ILE A 31 2.737 5.051 -0.775 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.403 4.530 -0.207 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.223 4.139 -1.934 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.296 4.643 -1.256 1.00 0.00 C ATOM 0 H ILE A 31 2.923 6.931 0.862 1.00 0.00 H new ATOM 0 HA ILE A 31 3.626 4.190 0.970 1.00 0.00 H new ATOM 0 HB ILE A 31 2.603 6.056 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.514 3.491 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.131 5.101 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.476 4.130 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.165 4.521 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.370 3.125 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.640 4.271 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.174 5.687 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.563 4.052 -2.132 1.00 0.00 H new ATOM 511 N ASP A 32 5.586 6.226 -0.727 1.00 0.00 N ATOM 512 CA ASP A 32 6.911 6.335 -1.313 1.00 0.00 C ATOM 513 C ASP A 32 7.990 6.032 -0.276 1.00 0.00 C ATOM 514 O ASP A 32 8.977 5.358 -0.567 1.00 0.00 O ATOM 515 CB ASP A 32 7.105 7.734 -1.906 1.00 0.00 C ATOM 516 CG ASP A 32 8.350 7.761 -2.790 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.229 7.435 -3.960 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.408 8.100 -2.282 1.00 0.00 O ATOM 0 H ASP A 32 5.030 7.080 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 32 7.001 5.599 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.229 8.015 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.202 8.467 -1.105 1.00 0.00 H new ATOM 523 N SER A 33 7.760 6.507 0.936 1.00 0.00 N ATOM 524 CA SER A 33 8.676 6.267 2.048 1.00 0.00 C ATOM 525 C SER A 33 8.660 4.779 2.389 1.00 0.00 C ATOM 526 O SER A 33 9.693 4.173 2.658 1.00 0.00 O ATOM 527 CB SER A 33 8.244 7.099 3.252 1.00 0.00 C ATOM 528 OG SER A 33 8.302 8.478 2.916 1.00 0.00 O ATOM 0 H SER A 33 6.942 7.065 1.180 1.00 0.00 H new ATOM 0 HA SER A 33 9.689 6.559 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.231 6.828 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.893 6.893 4.103 1.00 0.00 H new ATOM 0 HG SER A 33 7.551 8.703 2.328 1.00 0.00 H new ATOM 534 N LEU A 34 7.460 4.208 2.312 1.00 0.00 N ATOM 535 CA LEU A 34 7.225 2.781 2.537 1.00 0.00 C ATOM 536 C LEU A 34 8.032 1.983 1.517 1.00 0.00 C ATOM 537 O LEU A 34 8.792 1.081 1.860 1.00 0.00 O ATOM 538 CB LEU A 34 5.728 2.538 2.323 1.00 0.00 C ATOM 539 CG LEU A 34 4.987 2.384 3.648 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.714 3.231 3.662 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.603 0.931 3.809 1.00 0.00 C ATOM 0 H LEU A 34 6.612 4.729 2.089 1.00 0.00 H new ATOM 0 HA LEU A 34 7.525 2.475 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.301 3.369 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.587 1.640 1.721 1.00 0.00 H new ATOM 0 HG LEU A 34 5.635 2.714 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.203 3.104 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.974 4.281 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.056 2.912 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.071 0.797 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.958 0.631 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.502 0.315 3.809 1.00 0.00 H new ATOM 553 N ARG A 35 7.859 2.363 0.262 1.00 0.00 N ATOM 554 CA ARG A 35 8.564 1.740 -0.862 1.00 0.00 C ATOM 555 C ARG A 35 10.075 1.865 -0.680 1.00 0.00 C ATOM 556 O ARG A 35 10.821 0.905 -0.876 1.00 0.00 O ATOM 557 CB ARG A 35 8.166 2.450 -2.156 1.00 0.00 C ATOM 558 CG ARG A 35 6.672 2.261 -2.405 1.00 0.00 C ATOM 559 CD ARG A 35 6.227 3.085 -3.609 1.00 0.00 C ATOM 560 NE ARG A 35 6.834 2.578 -4.827 1.00 0.00 N ATOM 561 CZ ARG A 35 6.590 1.354 -5.282 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.736 0.585 -4.672 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.206 0.928 -6.342 1.00 0.00 N ATOM 0 H ARG A 35 7.226 3.113 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 35 8.294 0.685 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.402 3.512 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.738 2.050 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.456 1.207 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.108 2.562 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.141 3.053 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.505 4.129 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 35 7.468 3.181 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.250 0.921 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.552 -0.354 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.874 1.532 -6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.023 -0.011 -6.696 1.00 0.00 H new ATOM 577 N ASP A 36 10.503 3.068 -0.296 1.00 0.00 N ATOM 578 CA ASP A 36 11.916 3.358 -0.071 1.00 0.00 C ATOM 579 C ASP A 36 12.438 2.586 1.133 1.00 0.00 C ATOM 580 O ASP A 36 13.564 2.085 1.128 1.00 0.00 O ATOM 581 CB ASP A 36 12.100 4.854 0.157 1.00 0.00 C ATOM 582 CG ASP A 36 13.587 5.205 0.219 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.174 5.409 -0.831 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.117 5.259 1.318 1.00 0.00 O ATOM 0 H ASP A 36 9.884 3.862 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 36 12.480 3.049 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.621 5.412 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.611 5.150 1.085 1.00 0.00 H new ATOM 589 N ASP A 37 11.597 2.503 2.159 1.00 0.00 N ATOM 590 CA ASP A 37 11.943 1.800 3.387 1.00 0.00 C ATOM 591 C ASP A 37 10.710 1.115 3.960 1.00 0.00 C ATOM 592 O ASP A 37 9.910 1.733 4.670 1.00 0.00 O ATOM 593 CB ASP A 37 12.542 2.775 4.414 1.00 0.00 C ATOM 594 CG ASP A 37 13.254 2.011 5.538 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.688 1.050 6.041 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.353 2.404 5.888 1.00 0.00 O ATOM 0 H ASP A 37 10.665 2.917 2.163 1.00 0.00 H new ATOM 0 HA ASP A 37 12.691 1.041 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.246 3.444 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.753 3.398 4.835 1.00 0.00 H new ATOM 601 N PRO A 38 10.539 -0.146 3.651 1.00 0.00 N ATOM 602 CA PRO A 38 9.380 -0.932 4.131 1.00 0.00 C ATOM 603 C PRO A 38 9.432 -1.217 5.625 1.00 0.00 C ATOM 604 O PRO A 38 8.398 -1.285 6.285 1.00 0.00 O ATOM 605 CB PRO A 38 9.420 -2.219 3.318 1.00 0.00 C ATOM 606 CG PRO A 38 10.587 -2.140 2.387 1.00 0.00 C ATOM 607 CD PRO A 38 11.439 -0.955 2.815 1.00 0.00 C ATOM 0 HA PRO A 38 8.450 -0.379 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.515 -3.083 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.493 -2.345 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.168 -3.062 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.248 -2.016 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.318 -1.278 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.797 -0.391 1.954 1.00 0.00 H new ATOM 615 N SER A 39 10.638 -1.360 6.159 1.00 0.00 N ATOM 616 CA SER A 39 10.802 -1.602 7.588 1.00 0.00 C ATOM 617 C SER A 39 10.262 -0.395 8.349 1.00 0.00 C ATOM 618 O SER A 39 9.776 -0.508 9.475 1.00 0.00 O ATOM 619 CB SER A 39 12.281 -1.817 7.926 1.00 0.00 C ATOM 620 OG SER A 39 12.397 -2.231 9.282 1.00 0.00 O ATOM 0 H SER A 39 11.510 -1.313 5.631 1.00 0.00 H new ATOM 0 HA SER A 39 10.254 -2.500 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.711 -2.570 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.840 -0.895 7.766 1.00 0.00 H new ATOM 0 HG SER A 39 13.342 -2.371 9.502 1.00 0.00 H new ATOM 626 N GLN A 40 10.358 0.761 7.691 1.00 0.00 N ATOM 627 CA GLN A 40 9.893 2.024 8.246 1.00 0.00 C ATOM 628 C GLN A 40 8.387 2.210 8.011 1.00 0.00 C ATOM 629 O GLN A 40 7.816 3.205 8.418 1.00 0.00 O ATOM 630 CB GLN A 40 10.675 3.169 7.576 1.00 0.00 C ATOM 631 CG GLN A 40 10.544 4.475 8.375 1.00 0.00 C ATOM 632 CD GLN A 40 11.353 5.597 7.716 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.213 6.758 8.094 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.197 5.322 6.755 1.00 0.00 N ATOM 0 H GLN A 40 10.761 0.844 6.758 1.00 0.00 H new ATOM 0 HA GLN A 40 10.064 2.027 9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.727 2.895 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.304 3.321 6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.495 4.765 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.893 4.319 9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.315 4.359 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.737 6.070 6.321 1.00 0.00 H new ATOM 643 N SER A 41 7.749 1.257 7.336 1.00 0.00 N ATOM 644 CA SER A 41 6.319 1.360 7.023 1.00 0.00 C ATOM 645 C SER A 41 5.473 1.715 8.247 1.00 0.00 C ATOM 646 O SER A 41 4.516 2.484 8.143 1.00 0.00 O ATOM 647 CB SER A 41 5.839 0.013 6.485 1.00 0.00 C ATOM 648 OG SER A 41 5.948 -0.973 7.505 1.00 0.00 O ATOM 0 H SER A 41 8.195 0.405 6.994 1.00 0.00 H new ATOM 0 HA SER A 41 6.200 2.158 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.805 0.091 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.434 -0.277 5.619 1.00 0.00 H new ATOM 0 HG SER A 41 6.812 -1.429 7.428 1.00 0.00 H new ATOM 654 N ALA A 42 5.841 1.168 9.396 1.00 0.00 N ATOM 655 CA ALA A 42 5.129 1.436 10.639 1.00 0.00 C ATOM 656 C ALA A 42 5.297 2.890 11.031 1.00 0.00 C ATOM 657 O ALA A 42 4.381 3.530 11.547 1.00 0.00 O ATOM 658 CB ALA A 42 5.725 0.580 11.742 1.00 0.00 C ATOM 0 H ALA A 42 6.633 0.532 9.494 1.00 0.00 H new ATOM 0 HA ALA A 42 4.072 1.210 10.498 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.199 0.773 12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.624 -0.473 11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.780 0.825 11.862 1.00 0.00 H new ATOM 664 N ASN A 43 6.498 3.380 10.781 1.00 0.00 N ATOM 665 CA ASN A 43 6.872 4.740 11.091 1.00 0.00 C ATOM 666 C ASN A 43 6.137 5.726 10.196 1.00 0.00 C ATOM 667 O ASN A 43 5.782 6.822 10.604 1.00 0.00 O ATOM 668 CB ASN A 43 8.374 4.869 10.874 1.00 0.00 C ATOM 669 CG ASN A 43 9.123 4.697 12.193 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.875 5.580 12.601 1.00 0.00 O ATOM 671 ND2 ASN A 43 8.962 3.602 12.885 1.00 0.00 N ATOM 0 H ASN A 43 7.246 2.835 10.352 1.00 0.00 H new ATOM 0 HA ASN A 43 6.606 4.968 12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.709 4.118 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.603 5.844 10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.461 3.478 13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.338 2.871 12.545 1.00 0.00 H new ATOM 678 N LEU A 44 5.936 5.304 8.967 1.00 0.00 N ATOM 679 CA LEU A 44 5.265 6.095 7.953 1.00 0.00 C ATOM 680 C LEU A 44 3.811 6.126 8.261 1.00 0.00 C ATOM 681 O LEU A 44 3.156 7.156 8.170 1.00 0.00 O ATOM 682 CB LEU A 44 5.570 5.444 6.616 1.00 0.00 C ATOM 683 CG LEU A 44 7.093 5.389 6.536 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.560 4.461 5.438 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.604 6.797 6.340 1.00 0.00 C ATOM 0 H LEU A 44 6.238 4.387 8.637 1.00 0.00 H new ATOM 0 HA LEU A 44 5.606 7.130 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.136 4.446 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.153 6.023 5.792 1.00 0.00 H new ATOM 0 HG LEU A 44 7.497 4.981 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.650 4.448 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.190 3.454 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.178 4.811 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.692 6.784 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.194 7.208 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.295 7.417 7.182 1.00 0.00 H new ATOM 697 N LEU A 45 3.359 4.988 8.719 1.00 0.00 N ATOM 698 CA LEU A 45 1.995 4.838 9.173 1.00 0.00 C ATOM 699 C LEU A 45 1.826 5.745 10.382 1.00 0.00 C ATOM 700 O LEU A 45 0.801 6.393 10.561 1.00 0.00 O ATOM 701 CB LEU A 45 1.740 3.372 9.546 1.00 0.00 C ATOM 702 CG LEU A 45 0.478 3.239 10.409 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.735 3.806 9.663 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.254 1.761 10.729 1.00 0.00 C ATOM 0 H LEU A 45 3.921 4.140 8.789 1.00 0.00 H new ATOM 0 HA LEU A 45 1.281 5.112 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.631 2.776 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.599 2.975 10.087 1.00 0.00 H new ATOM 0 HG LEU A 45 0.605 3.801 11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.624 3.706 10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.565 4.859 9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.880 3.257 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.641 1.653 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.127 1.203 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.115 1.372 11.272 1.00 0.00 H new ATOM 716 N ALA A 46 2.882 5.794 11.182 1.00 0.00 N ATOM 717 CA ALA A 46 2.920 6.626 12.369 1.00 0.00 C ATOM 718 C ALA A 46 2.854 8.080 11.972 1.00 0.00 C ATOM 719 O ALA A 46 2.096 8.871 12.535 1.00 0.00 O ATOM 720 CB ALA A 46 4.227 6.396 13.123 1.00 0.00 C ATOM 0 H ALA A 46 3.735 5.257 11.024 1.00 0.00 H new ATOM 0 HA ALA A 46 2.072 6.368 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.249 7.024 14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.299 5.349 13.416 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.068 6.651 12.479 1.00 0.00 H new ATOM 726 N GLU A 47 3.659 8.400 10.974 1.00 0.00 N ATOM 727 CA GLU A 47 3.729 9.731 10.436 1.00 0.00 C ATOM 728 C GLU A 47 2.396 10.108 9.853 1.00 0.00 C ATOM 729 O GLU A 47 1.951 11.239 9.962 1.00 0.00 O ATOM 730 CB GLU A 47 4.761 9.743 9.320 1.00 0.00 C ATOM 731 CG GLU A 47 6.181 9.871 9.862 1.00 0.00 C ATOM 732 CD GLU A 47 6.315 11.106 10.760 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.038 12.198 10.285 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.697 10.943 11.907 1.00 0.00 O ATOM 0 H GLU A 47 4.282 7.734 10.517 1.00 0.00 H new ATOM 0 HA GLU A 47 3.999 10.434 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.676 8.826 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.554 10.572 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.441 8.976 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.886 9.941 9.033 1.00 0.00 H new ATOM 741 N ALA A 48 1.769 9.132 9.232 1.00 0.00 N ATOM 742 CA ALA A 48 0.489 9.328 8.619 1.00 0.00 C ATOM 743 C ALA A 48 -0.554 9.577 9.680 1.00 0.00 C ATOM 744 O ALA A 48 -1.323 10.524 9.588 1.00 0.00 O ATOM 745 CB ALA A 48 0.158 8.086 7.827 1.00 0.00 C ATOM 0 H ALA A 48 2.138 8.185 9.142 1.00 0.00 H new ATOM 0 HA ALA A 48 0.508 10.194 7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.814 8.208 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.921 7.927 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.128 7.226 8.495 1.00 0.00 H new ATOM 751 N LYS A 49 -0.541 8.741 10.713 1.00 0.00 N ATOM 752 CA LYS A 49 -1.462 8.906 11.821 1.00 0.00 C ATOM 753 C LYS A 49 -1.227 10.273 12.439 1.00 0.00 C ATOM 754 O LYS A 49 -2.153 10.904 12.938 1.00 0.00 O ATOM 755 CB LYS A 49 -1.246 7.802 12.869 1.00 0.00 C ATOM 756 CG LYS A 49 -1.662 6.437 12.294 1.00 0.00 C ATOM 757 CD LYS A 49 -3.184 6.258 12.401 1.00 0.00 C ATOM 758 CE LYS A 49 -3.614 4.988 11.654 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.937 3.799 12.252 1.00 0.00 N ATOM 0 H LYS A 49 0.095 7.948 10.802 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.489 8.831 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.198 7.775 13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.828 8.021 13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.352 6.364 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.156 5.637 12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.478 6.192 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.692 7.127 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.696 4.870 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.358 5.071 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.269 2.935 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.908 3.888 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.162 3.745 13.266 1.00 0.00 H new ATOM 773 N LYS A 50 0.032 10.727 12.373 1.00 0.00 N ATOM 774 CA LYS A 50 0.398 12.020 12.899 1.00 0.00 C ATOM 775 C LYS A 50 -0.095 13.122 11.982 1.00 0.00 C ATOM 776 O LYS A 50 -0.604 14.145 12.440 1.00 0.00 O ATOM 777 CB LYS A 50 1.919 12.091 13.062 1.00 0.00 C ATOM 778 CG LYS A 50 2.322 13.367 13.809 1.00 0.00 C ATOM 779 CD LYS A 50 3.842 13.377 14.009 1.00 0.00 C ATOM 780 CE LYS A 50 4.541 13.794 12.708 1.00 0.00 C ATOM 781 NZ LYS A 50 6.011 13.595 12.851 1.00 0.00 N ATOM 0 H LYS A 50 0.805 10.207 11.957 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.070 12.159 13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.273 11.216 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.397 12.070 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.012 14.246 13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.816 13.413 14.773 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.107 14.066 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.183 12.388 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.162 13.204 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.324 14.839 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.503 14.060 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.331 14.008 13.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.226 12.578 12.842 1.00 0.00 H new ATOM 795 N LEU A 51 0.062 12.895 10.685 1.00 0.00 N ATOM 796 CA LEU A 51 -0.366 13.862 9.692 1.00 0.00 C ATOM 797 C LEU A 51 -1.880 13.922 9.663 1.00 0.00 C ATOM 798 O LEU A 51 -2.470 14.999 9.622 1.00 0.00 O ATOM 799 CB LEU A 51 0.177 13.496 8.302 1.00 0.00 C ATOM 800 CG LEU A 51 1.488 14.244 8.007 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.301 15.754 8.202 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.610 13.729 8.922 1.00 0.00 C ATOM 0 H LEU A 51 0.483 12.050 10.299 1.00 0.00 H new ATOM 0 HA LEU A 51 0.031 14.841 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.347 12.421 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.565 13.741 7.542 1.00 0.00 H new ATOM 0 HG LEU A 51 1.765 14.059 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.239 16.267 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.527 16.115 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.004 15.954 9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.533 14.266 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.333 13.891 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.761 12.663 8.749 1.00 0.00 H new ATOM 814 N ASN A 52 -2.490 12.746 9.714 1.00 0.00 N ATOM 815 CA ASN A 52 -3.932 12.635 9.730 1.00 0.00 C ATOM 816 C ASN A 52 -4.457 13.302 10.980 1.00 0.00 C ATOM 817 O ASN A 52 -5.412 14.067 10.931 1.00 0.00 O ATOM 818 CB ASN A 52 -4.336 11.162 9.719 1.00 0.00 C ATOM 819 CG ASN A 52 -5.791 10.992 10.127 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.684 11.248 9.334 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.083 10.569 11.324 1.00 0.00 N ATOM 0 H ASN A 52 -1.999 11.852 9.745 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.351 13.121 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.183 10.747 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.696 10.601 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.058 10.451 11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.337 10.355 11.986 1.00 0.00 H new ATOM 828 N ASP A 53 -3.802 13.001 12.101 1.00 0.00 N ATOM 829 CA ASP A 53 -4.194 13.582 13.372 1.00 0.00 C ATOM 830 C ASP A 53 -4.021 15.094 13.325 1.00 0.00 C ATOM 831 O ASP A 53 -4.875 15.845 13.797 1.00 0.00 O ATOM 832 CB ASP A 53 -3.368 12.989 14.517 1.00 0.00 C ATOM 833 CG ASP A 53 -3.656 13.725 15.828 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.805 13.735 16.244 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.726 14.275 16.392 1.00 0.00 O ATOM 0 H ASP A 53 -3.007 12.364 12.149 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.243 13.348 13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.601 11.930 14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.306 13.059 14.280 1.00 0.00 H new ATOM 840 N ALA A 54 -2.913 15.528 12.729 1.00 0.00 N ATOM 841 CA ALA A 54 -2.627 16.943 12.589 1.00 0.00 C ATOM 842 C ALA A 54 -3.687 17.590 11.702 1.00 0.00 C ATOM 843 O ALA A 54 -4.125 18.713 11.956 1.00 0.00 O ATOM 844 CB ALA A 54 -1.242 17.129 11.969 1.00 0.00 C ATOM 0 H ALA A 54 -2.200 14.913 12.336 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.643 17.417 13.570 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.030 18.193 11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.491 16.670 12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.216 16.656 10.987 1.00 0.00 H new ATOM 850 N GLN A 55 -4.098 16.852 10.669 1.00 0.00 N ATOM 851 CA GLN A 55 -5.117 17.324 9.737 1.00 0.00 C ATOM 852 C GLN A 55 -6.523 16.977 10.240 1.00 0.00 C ATOM 853 O GLN A 55 -7.520 17.312 9.596 1.00 0.00 O ATOM 854 CB GLN A 55 -4.871 16.676 8.373 1.00 0.00 C ATOM 855 CG GLN A 55 -3.604 17.271 7.745 1.00 0.00 C ATOM 856 CD GLN A 55 -3.177 16.432 6.549 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.162 16.914 5.417 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.830 15.194 6.737 1.00 0.00 N ATOM 0 H GLN A 55 -3.737 15.921 10.458 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.052 18.409 9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.762 15.597 8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.727 16.843 7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.791 18.298 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.802 17.303 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.844 14.798 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.544 14.619 5.945 1.00 0.00 H new ATOM 867 N ALA A 56 -6.591 16.301 11.392 1.00 0.00 N ATOM 868 CA ALA A 56 -7.873 15.908 11.976 1.00 0.00 C ATOM 869 C ALA A 56 -8.576 17.113 12.586 1.00 0.00 C ATOM 870 O ALA A 56 -7.922 18.014 13.113 1.00 0.00 O ATOM 871 CB ALA A 56 -7.662 14.830 13.050 1.00 0.00 C ATOM 0 H ALA A 56 -5.776 16.017 11.935 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.499 15.502 11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.625 14.547 13.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.193 13.955 12.600 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.018 15.222 13.837 1.00 0.00 H new ATOM 877 N PRO A 57 -9.891 17.140 12.509 1.00 0.00 N ATOM 878 CA PRO A 57 -10.734 18.240 13.045 1.00 0.00 C ATOM 879 C PRO A 57 -10.269 18.702 14.417 1.00 0.00 C ATOM 880 O PRO A 57 -10.442 18.020 15.430 1.00 0.00 O ATOM 881 CB PRO A 57 -12.133 17.627 13.134 1.00 0.00 C ATOM 882 CG PRO A 57 -11.994 16.214 12.718 1.00 0.00 C ATOM 883 CD PRO A 57 -10.744 16.137 11.879 1.00 0.00 C ATOM 0 HA PRO A 57 -10.690 19.125 12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.524 17.697 14.149 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.831 18.156 12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.920 15.559 13.586 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.865 15.890 12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.295 15.144 11.907 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.941 16.369 10.832 1.00 0.00 H new ATOM 891 N LYS A 58 -9.672 19.867 14.402 1.00 0.00 N ATOM 892 CA LYS A 58 -9.139 20.505 15.607 1.00 0.00 C ATOM 893 C LYS A 58 -9.378 22.016 15.569 1.00 0.00 C ATOM 894 O LYS A 58 -9.174 22.606 14.518 1.00 0.00 O ATOM 895 CB LYS A 58 -7.643 20.225 15.724 1.00 0.00 C ATOM 896 CG LYS A 58 -7.408 18.770 16.153 1.00 0.00 C ATOM 897 CD LYS A 58 -5.902 18.498 16.231 1.00 0.00 C ATOM 898 CE LYS A 58 -5.656 17.026 16.577 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.215 16.706 16.374 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.762 22.562 16.590 1.00 0.00 O ATOM 0 H LYS A 58 -9.535 20.414 13.552 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.655 20.091 16.473 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.155 20.413 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.194 20.903 16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.872 18.586 17.122 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.875 18.090 15.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.430 18.741 15.279 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.446 19.139 16.986 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.941 16.831 17.611 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.275 16.385 15.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.938 15.932 17.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.060 16.414 15.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.640 17.548 16.581 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -11.834 -7.646 6.906 1.00 0.00 N ATOM 916 CA VAL B 1 -13.264 -7.287 7.130 1.00 0.00 C ATOM 917 C VAL B 1 -14.027 -7.403 5.811 1.00 0.00 C ATOM 918 O VAL B 1 -15.170 -7.862 5.786 1.00 0.00 O ATOM 919 CB VAL B 1 -13.369 -5.853 7.689 1.00 0.00 C ATOM 920 CG1 VAL B 1 -12.792 -5.808 9.110 1.00 0.00 C ATOM 921 CG2 VAL B 1 -12.595 -4.867 6.796 1.00 0.00 C ATOM 0 H1 VAL B 1 -11.323 -7.617 7.811 1.00 0.00 H new ATOM 0 H2 VAL B 1 -11.775 -8.604 6.505 1.00 0.00 H new ATOM 0 H3 VAL B 1 -11.405 -6.967 6.245 1.00 0.00 H new ATOM 0 HA VAL B 1 -13.701 -7.971 7.857 1.00 0.00 H new ATOM 0 HB VAL B 1 -14.420 -5.565 7.707 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.868 -4.794 9.502 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -13.352 -6.488 9.752 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.745 -6.111 9.087 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.680 -3.861 7.206 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.545 -5.156 6.760 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -13.011 -4.885 5.789 1.00 0.00 H new ATOM 933 N ASP B 2 -13.379 -6.987 4.721 1.00 0.00 N ATOM 934 CA ASP B 2 -13.987 -7.047 3.390 1.00 0.00 C ATOM 935 C ASP B 2 -14.315 -8.491 3.008 1.00 0.00 C ATOM 936 O ASP B 2 -15.374 -8.774 2.444 1.00 0.00 O ATOM 937 CB ASP B 2 -13.016 -6.445 2.362 1.00 0.00 C ATOM 938 CG ASP B 2 -11.637 -7.115 2.466 1.00 0.00 C ATOM 939 OD1 ASP B 2 -10.826 -6.637 3.243 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.417 -8.096 1.775 1.00 0.00 O ATOM 0 H ASP B 2 -12.433 -6.605 4.734 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.916 -6.476 3.401 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.415 -6.576 1.356 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.919 -5.372 2.530 1.00 0.00 H new ATOM 945 N ASN B 3 -13.387 -9.387 3.336 1.00 0.00 N ATOM 946 CA ASN B 3 -13.514 -10.814 3.057 1.00 0.00 C ATOM 947 C ASN B 3 -12.264 -11.513 3.586 1.00 0.00 C ATOM 948 O ASN B 3 -11.415 -10.868 4.209 1.00 0.00 O ATOM 949 CB ASN B 3 -13.645 -11.062 1.540 1.00 0.00 C ATOM 950 CG ASN B 3 -14.280 -12.425 1.278 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.595 -13.366 0.884 1.00 0.00 O ATOM 952 ND2 ASN B 3 -15.559 -12.585 1.477 1.00 0.00 N ATOM 0 H ASN B 3 -12.517 -9.139 3.808 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.408 -11.205 3.542 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.252 -10.278 1.088 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.662 -11.015 1.071 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.992 -13.492 1.306 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -16.126 -11.803 1.804 1.00 0.00 H new ATOM 959 N LYS B 4 -12.126 -12.813 3.317 1.00 0.00 N ATOM 960 CA LYS B 4 -10.933 -13.529 3.764 1.00 0.00 C ATOM 961 C LYS B 4 -9.709 -12.976 3.036 1.00 0.00 C ATOM 962 O LYS B 4 -8.566 -13.247 3.414 1.00 0.00 O ATOM 963 CB LYS B 4 -11.069 -15.049 3.545 1.00 0.00 C ATOM 964 CG LYS B 4 -11.381 -15.362 2.073 1.00 0.00 C ATOM 965 CD LYS B 4 -10.333 -16.332 1.497 1.00 0.00 C ATOM 966 CE LYS B 4 -8.977 -15.623 1.335 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.222 -16.237 0.206 1.00 0.00 N ATOM 0 H LYS B 4 -12.805 -13.377 2.806 1.00 0.00 H new ATOM 0 HA LYS B 4 -10.813 -13.374 4.836 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.146 -15.548 3.840 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -11.861 -15.443 4.181 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.376 -15.800 1.991 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.390 -14.440 1.492 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.224 -17.193 2.157 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.670 -16.710 0.532 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.131 -14.560 1.147 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.401 -15.703 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.201 -16.129 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.457 -17.248 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.480 -15.763 -0.683 1.00 0.00 H new ATOM 981 N PHE B 5 -9.975 -12.184 1.994 1.00 0.00 N ATOM 982 CA PHE B 5 -8.934 -11.565 1.205 1.00 0.00 C ATOM 983 C PHE B 5 -8.353 -10.351 1.897 1.00 0.00 C ATOM 984 O PHE B 5 -7.416 -9.773 1.389 1.00 0.00 O ATOM 985 CB PHE B 5 -9.478 -11.175 -0.171 1.00 0.00 C ATOM 986 CG PHE B 5 -9.566 -12.424 -0.996 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.547 -13.370 -0.703 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.643 -12.658 -2.021 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.616 -14.554 -1.441 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.705 -13.842 -2.755 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.691 -14.790 -2.467 1.00 0.00 C ATOM 0 H PHE B 5 -10.920 -11.961 1.683 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.132 -12.294 1.085 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.459 -10.709 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.823 -10.446 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.253 -13.188 0.094 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.884 -11.923 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.380 -15.285 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.992 -14.026 -3.545 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.740 -15.706 -3.036 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.881 -9.974 3.064 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.311 -8.832 3.777 1.00 0.00 C ATOM 1003 C ASN B 6 -6.842 -9.139 4.035 1.00 0.00 C ATOM 1004 O ASN B 6 -5.971 -8.320 3.762 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.047 -8.586 5.101 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.694 -7.202 5.648 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.582 -6.411 5.953 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.442 -6.859 5.785 1.00 0.00 N ATOM 0 H ASN B 6 -9.674 -10.425 3.521 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.416 -7.927 3.178 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.123 -8.661 4.947 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.774 -9.353 5.826 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.203 -5.935 6.145 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.703 -7.515 5.532 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.589 -10.365 4.497 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.229 -10.839 4.734 1.00 0.00 C ATOM 1017 C LYS B 7 -4.459 -10.846 3.416 1.00 0.00 C ATOM 1018 O LYS B 7 -3.318 -10.386 3.341 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.292 -12.267 5.305 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.882 -12.861 5.454 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.988 -14.325 5.910 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.595 -14.969 5.956 1.00 0.00 C ATOM 1023 NZ LYS B 7 -1.929 -14.634 7.247 1.00 0.00 N ATOM 0 H LYS B 7 -7.314 -11.049 4.715 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.723 -10.182 5.442 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.790 -12.254 6.275 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.890 -12.899 4.649 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.349 -12.802 4.505 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.307 -12.284 6.179 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.452 -14.374 6.895 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.631 -14.880 5.227 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.680 -16.050 5.849 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.991 -14.613 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.905 -14.534 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.313 -13.740 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.103 -15.394 7.935 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.116 -11.377 2.388 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.538 -11.476 1.050 1.00 0.00 C ATOM 1039 C GLU B 8 -4.291 -10.089 0.451 1.00 0.00 C ATOM 1040 O GLU B 8 -3.334 -9.881 -0.299 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.515 -12.247 0.135 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.790 -13.657 0.689 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.482 -14.402 0.967 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.719 -14.595 0.033 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.256 -14.756 2.114 1.00 0.00 O ATOM 0 H GLU B 8 -6.063 -11.750 2.458 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.584 -11.998 1.125 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.452 -11.696 0.050 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.097 -12.321 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.373 -13.584 1.607 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.390 -14.222 -0.025 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.180 -9.160 0.785 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.115 -7.799 0.296 1.00 0.00 C ATOM 1054 C ARG B 9 -3.892 -7.097 0.867 1.00 0.00 C ATOM 1055 O ARG B 9 -3.175 -6.401 0.157 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.380 -7.052 0.734 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.423 -5.659 0.100 1.00 0.00 C ATOM 1058 CD ARG B 9 -6.974 -4.655 1.112 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.338 -5.009 1.498 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.396 -4.517 0.858 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.317 -4.206 -0.406 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.519 -4.350 1.496 1.00 0.00 N ATOM 0 H ARG B 9 -5.969 -9.337 1.407 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.043 -7.808 -0.792 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.264 -7.619 0.442 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.401 -6.965 1.820 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.424 -5.361 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.049 -5.673 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.335 -4.632 1.995 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.960 -3.653 0.683 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.483 -5.650 2.278 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -8.440 -4.339 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.132 -3.829 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.586 -4.596 2.484 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.332 -3.973 1.008 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.670 -7.295 2.167 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.543 -6.675 2.858 1.00 0.00 C ATOM 1078 C VAL B 10 -1.234 -7.090 2.196 1.00 0.00 C ATOM 1079 O VAL B 10 -0.318 -6.282 2.052 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.521 -7.088 4.337 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.456 -6.279 5.075 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.906 -6.884 4.986 1.00 0.00 C ATOM 0 H VAL B 10 -4.257 -7.880 2.761 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.656 -5.593 2.796 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.276 -8.148 4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.440 -6.571 6.125 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.480 -6.471 4.630 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.688 -5.217 4.998 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.865 -7.184 6.033 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.188 -5.833 4.920 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.645 -7.491 4.464 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.164 -8.353 1.784 1.00 0.00 N ATOM 1093 CA ILE B 11 0.028 -8.869 1.124 1.00 0.00 C ATOM 1094 C ILE B 11 0.179 -8.242 -0.258 1.00 0.00 C ATOM 1095 O ILE B 11 1.293 -7.926 -0.665 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.016 -10.400 1.037 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.239 -10.965 2.464 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.311 -10.912 0.439 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.665 -12.182 2.748 1.00 0.00 C ATOM 0 H ILE B 11 -1.915 -9.034 1.895 1.00 0.00 H new ATOM 0 HA ILE B 11 0.900 -8.598 1.719 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.831 -10.730 0.393 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.039 -10.185 3.199 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.284 -11.253 2.581 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.285 -12.000 0.375 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.447 -10.493 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.140 -10.606 1.077 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.477 -12.547 3.758 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.447 -12.973 2.030 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.711 -11.888 2.657 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.943 -8.040 -0.970 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.887 -7.420 -2.286 1.00 0.00 C ATOM 1113 C ALA B 12 -0.372 -6.022 -2.135 1.00 0.00 C ATOM 1114 O ALA B 12 0.572 -5.648 -2.805 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.281 -7.379 -2.901 1.00 0.00 C ATOM 0 H ALA B 12 -1.879 -8.295 -0.656 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.229 -7.997 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.231 -6.914 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.666 -8.394 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.945 -6.800 -2.259 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.948 -5.289 -1.191 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.505 -3.935 -0.915 1.00 0.00 C ATOM 1123 C ILE B 13 0.970 -4.004 -0.574 1.00 0.00 C ATOM 1124 O ILE B 13 1.752 -3.160 -0.967 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.320 -3.364 0.260 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.801 -3.426 -0.083 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.981 -1.896 0.506 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.635 -3.323 1.183 1.00 0.00 C ATOM 0 H ILE B 13 -1.720 -5.611 -0.607 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.654 -3.281 -1.774 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.082 -3.953 1.146 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.059 -2.615 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.024 -4.360 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.572 -1.521 1.341 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.079 -1.802 0.741 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.208 -1.315 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.693 -3.368 0.926 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.388 -4.149 1.850 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.423 -2.378 1.682 1.00 0.00 H new ATOM 1140 N GLY B 14 1.338 -5.063 0.125 1.00 0.00 N ATOM 1141 CA GLY B 14 2.724 -5.289 0.493 1.00 0.00 C ATOM 1142 C GLY B 14 3.600 -5.574 -0.726 1.00 0.00 C ATOM 1143 O GLY B 14 4.731 -5.112 -0.797 1.00 0.00 O ATOM 0 H GLY B 14 0.693 -5.783 0.450 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.107 -4.414 1.018 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.783 -6.128 1.186 1.00 0.00 H new ATOM 1147 N GLU B 15 3.073 -6.341 -1.678 1.00 0.00 N ATOM 1148 CA GLU B 15 3.827 -6.691 -2.873 1.00 0.00 C ATOM 1149 C GLU B 15 3.988 -5.478 -3.773 1.00 0.00 C ATOM 1150 O GLU B 15 5.067 -5.235 -4.308 1.00 0.00 O ATOM 1151 CB GLU B 15 3.103 -7.815 -3.624 1.00 0.00 C ATOM 1152 CG GLU B 15 4.107 -8.688 -4.397 1.00 0.00 C ATOM 1153 CD GLU B 15 4.821 -7.871 -5.478 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.152 -7.431 -6.400 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.023 -7.696 -5.366 1.00 0.00 O ATOM 0 H GLU B 15 2.130 -6.729 -1.643 1.00 0.00 H new ATOM 0 HA GLU B 15 4.819 -7.034 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.546 -8.431 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.377 -7.388 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU B 15 4.840 -9.105 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.587 -9.529 -4.855 1.00 0.00 H new ATOM 1162 N ILE B 16 2.903 -4.728 -3.948 1.00 0.00 N ATOM 1163 CA ILE B 16 2.944 -3.543 -4.824 1.00 0.00 C ATOM 1164 C ILE B 16 3.999 -2.570 -4.328 1.00 0.00 C ATOM 1165 O ILE B 16 4.885 -2.147 -5.073 1.00 0.00 O ATOM 1166 CB ILE B 16 1.588 -2.827 -4.820 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.470 -3.884 -4.738 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.461 -1.943 -6.077 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.574 -3.698 -5.794 1.00 0.00 C ATOM 0 H ILE B 16 2.000 -4.907 -3.509 1.00 0.00 H new ATOM 0 HA ILE B 16 3.182 -3.875 -5.834 1.00 0.00 H new ATOM 0 HB ILE B 16 1.502 -2.171 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.907 -4.878 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.001 -3.836 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.496 -1.436 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.260 -1.202 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.537 -2.565 -6.969 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.338 -4.469 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.033 -2.716 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.113 -3.774 -6.779 1.00 0.00 H new ATOM 1181 N MET B 17 3.895 -2.261 -3.049 1.00 0.00 N ATOM 1182 CA MET B 17 4.836 -1.373 -2.379 1.00 0.00 C ATOM 1183 C MET B 17 6.259 -1.935 -2.508 1.00 0.00 C ATOM 1184 O MET B 17 7.224 -1.179 -2.624 1.00 0.00 O ATOM 1185 CB MET B 17 4.407 -1.238 -0.927 1.00 0.00 C ATOM 1186 CG MET B 17 2.966 -0.700 -0.889 1.00 0.00 C ATOM 1187 SD MET B 17 2.949 1.026 -1.378 1.00 0.00 S ATOM 1188 CE MET B 17 3.886 1.619 0.031 1.00 0.00 C ATOM 0 H MET B 17 3.157 -2.617 -2.442 1.00 0.00 H new ATOM 0 HA MET B 17 4.837 -0.384 -2.838 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.464 -2.204 -0.424 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.077 -0.562 -0.396 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.333 -1.283 -1.557 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.554 -0.807 0.115 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.340 2.428 0.516 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.033 0.804 0.740 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.856 1.986 -0.305 1.00 0.00 H new ATOM 1198 N ARG B 18 6.365 -3.271 -2.517 1.00 0.00 N ATOM 1199 CA ARG B 18 7.649 -3.952 -2.665 1.00 0.00 C ATOM 1200 C ARG B 18 8.205 -3.842 -4.088 1.00 0.00 C ATOM 1201 O ARG B 18 9.419 -3.710 -4.261 1.00 0.00 O ATOM 1202 CB ARG B 18 7.492 -5.418 -2.293 1.00 0.00 C ATOM 1203 CG ARG B 18 7.742 -5.599 -0.792 1.00 0.00 C ATOM 1204 CD ARG B 18 8.721 -6.741 -0.589 1.00 0.00 C ATOM 1205 NE ARG B 18 8.105 -8.017 -0.948 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.540 -9.164 -0.437 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.764 -9.555 -0.657 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.744 -9.899 0.284 1.00 0.00 N ATOM 0 H ARG B 18 5.568 -3.901 -2.423 1.00 0.00 H new ATOM 0 HA ARG B 18 8.358 -3.464 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.490 -5.763 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.194 -6.025 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.141 -4.680 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.805 -5.810 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.611 -6.577 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.046 -6.768 0.451 1.00 0.00 H new ATOM 0 HE ARG B 18 7.325 -8.027 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.389 -8.980 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.096 -10.436 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.786 -9.595 0.457 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.078 -10.779 0.676 1.00 0.00 H new ATOM 1222 N LEU B 19 7.326 -3.908 -5.107 1.00 0.00 N ATOM 1223 CA LEU B 19 7.777 -3.819 -6.505 1.00 0.00 C ATOM 1224 C LEU B 19 8.657 -2.582 -6.680 1.00 0.00 C ATOM 1225 O LEU B 19 8.189 -1.460 -6.494 1.00 0.00 O ATOM 1226 CB LEU B 19 6.591 -3.712 -7.472 1.00 0.00 C ATOM 1227 CG LEU B 19 5.732 -4.982 -7.493 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.429 -4.666 -8.212 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.434 -6.104 -8.255 1.00 0.00 C ATOM 0 H LEU B 19 6.319 -4.020 -4.990 1.00 0.00 H new ATOM 0 HA LEU B 19 8.336 -4.727 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.970 -2.862 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.963 -3.513 -8.477 1.00 0.00 H new ATOM 0 HG LEU B 19 5.557 -5.305 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.802 -5.557 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.905 -3.870 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.644 -4.344 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.804 -6.993 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.616 -5.788 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.384 -6.333 -7.772 1.00 0.00 H new ATOM 1241 N PRO B 20 9.920 -2.760 -6.999 1.00 0.00 N ATOM 1242 CA PRO B 20 10.875 -1.629 -7.159 1.00 0.00 C ATOM 1243 C PRO B 20 10.723 -0.831 -8.463 1.00 0.00 C ATOM 1244 O PRO B 20 11.442 0.154 -8.652 1.00 0.00 O ATOM 1245 CB PRO B 20 12.258 -2.300 -7.095 1.00 0.00 C ATOM 1246 CG PRO B 20 12.038 -3.760 -6.887 1.00 0.00 C ATOM 1247 CD PRO B 20 10.593 -4.046 -7.245 1.00 0.00 C ATOM 0 HA PRO B 20 10.700 -0.881 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.813 -2.123 -8.016 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.850 -1.882 -6.281 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.713 -4.345 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.241 -4.037 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.491 -4.361 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.176 -4.842 -6.628 1.00 0.00 H new ATOM 1255 N ASN B 21 9.821 -1.244 -9.364 1.00 0.00 N ATOM 1256 CA ASN B 21 9.657 -0.524 -10.633 1.00 0.00 C ATOM 1257 C ASN B 21 8.348 0.267 -10.682 1.00 0.00 C ATOM 1258 O ASN B 21 8.175 1.110 -11.567 1.00 0.00 O ATOM 1259 CB ASN B 21 9.718 -1.504 -11.810 1.00 0.00 C ATOM 1260 CG ASN B 21 11.000 -2.333 -11.758 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.061 -1.828 -11.389 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.965 -3.585 -12.119 1.00 0.00 N ATOM 0 H ASN B 21 9.209 -2.051 -9.243 1.00 0.00 H new ATOM 0 HA ASN B 21 10.477 0.190 -10.708 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.851 -2.164 -11.785 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.673 -0.954 -12.750 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.816 -4.146 -12.096 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.086 -4.003 -12.425 1.00 0.00 H new ATOM 1269 N LEU B 22 7.429 0.015 -9.739 1.00 0.00 N ATOM 1270 CA LEU B 22 6.160 0.750 -9.728 1.00 0.00 C ATOM 1271 C LEU B 22 6.342 2.176 -9.236 1.00 0.00 C ATOM 1272 O LEU B 22 7.273 2.487 -8.491 1.00 0.00 O ATOM 1273 CB LEU B 22 5.107 0.086 -8.819 1.00 0.00 C ATOM 1274 CG LEU B 22 4.666 -1.277 -9.340 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.377 -1.698 -8.630 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.400 -1.193 -10.827 1.00 0.00 C ATOM 0 H LEU B 22 7.536 -0.673 -8.994 1.00 0.00 H new ATOM 0 HA LEU B 22 5.815 0.743 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.517 -0.027 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.238 0.739 -8.737 1.00 0.00 H new ATOM 0 HG LEU B 22 5.453 -2.006 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.059 -2.673 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.556 -1.759 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.597 -0.963 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.085 -2.169 -11.196 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.613 -0.463 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.310 -0.887 -11.343 1.00 0.00 H new ATOM 1288 N ASN B 23 5.399 3.019 -9.636 1.00 0.00 N ATOM 1289 CA ASN B 23 5.377 4.411 -9.222 1.00 0.00 C ATOM 1290 C ASN B 23 4.564 4.487 -7.926 1.00 0.00 C ATOM 1291 O ASN B 23 3.704 3.638 -7.690 1.00 0.00 O ATOM 1292 CB ASN B 23 4.750 5.230 -10.388 1.00 0.00 C ATOM 1293 CG ASN B 23 3.782 6.327 -9.947 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.989 6.988 -8.948 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.729 6.571 -10.674 1.00 0.00 N ATOM 0 H ASN B 23 4.632 2.756 -10.254 1.00 0.00 H new ATOM 0 HA ASN B 23 6.366 4.823 -9.020 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.553 5.684 -10.968 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.224 4.545 -11.053 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.084 7.313 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.550 6.020 -11.513 1.00 0.00 H new ATOM 1302 N SER B 24 4.823 5.499 -7.097 1.00 0.00 N ATOM 1303 CA SER B 24 4.085 5.643 -5.842 1.00 0.00 C ATOM 1304 C SER B 24 2.602 5.811 -6.151 1.00 0.00 C ATOM 1305 O SER B 24 1.746 5.188 -5.525 1.00 0.00 O ATOM 1306 CB SER B 24 4.605 6.845 -5.056 1.00 0.00 C ATOM 1307 OG SER B 24 4.003 6.862 -3.770 1.00 0.00 O ATOM 0 H SER B 24 5.525 6.219 -7.267 1.00 0.00 H new ATOM 0 HA SER B 24 4.228 4.751 -5.232 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.690 6.790 -4.962 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.377 7.768 -5.589 1.00 0.00 H new ATOM 0 HG SER B 24 4.423 7.557 -3.222 1.00 0.00 H new ATOM 1313 N LEU B 25 2.327 6.633 -7.160 1.00 0.00 N ATOM 1314 CA LEU B 25 0.971 6.875 -7.617 1.00 0.00 C ATOM 1315 C LEU B 25 0.420 5.631 -8.308 1.00 0.00 C ATOM 1316 O LEU B 25 -0.769 5.331 -8.189 1.00 0.00 O ATOM 1317 CB LEU B 25 0.932 8.072 -8.575 1.00 0.00 C ATOM 1318 CG LEU B 25 0.143 9.210 -7.954 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.145 10.425 -8.890 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.284 8.732 -7.711 1.00 0.00 C ATOM 0 H LEU B 25 3.039 7.147 -7.679 1.00 0.00 H new ATOM 0 HA LEU B 25 0.349 7.104 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.946 8.402 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.477 7.777 -9.520 1.00 0.00 H new ATOM 0 HG LEU B 25 0.599 9.508 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.424 11.236 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.171 10.752 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.311 10.152 -9.842 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.867 9.538 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.736 8.440 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.271 7.876 -7.036 1.00 0.00 H new ATOM 1332 N GLN B 26 1.291 4.891 -9.009 1.00 0.00 N ATOM 1333 CA GLN B 26 0.847 3.663 -9.679 1.00 0.00 C ATOM 1334 C GLN B 26 0.391 2.669 -8.629 1.00 0.00 C ATOM 1335 O GLN B 26 -0.606 1.969 -8.796 1.00 0.00 O ATOM 1336 CB GLN B 26 1.990 3.018 -10.463 1.00 0.00 C ATOM 1337 CG GLN B 26 1.933 3.396 -11.949 1.00 0.00 C ATOM 1338 CD GLN B 26 3.128 2.791 -12.675 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.309 3.015 -13.871 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.956 2.022 -12.022 1.00 0.00 N ATOM 0 H GLN B 26 2.280 5.113 -9.125 1.00 0.00 H new ATOM 0 HA GLN B 26 0.040 3.922 -10.364 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.945 3.333 -10.042 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.938 1.934 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.005 3.035 -12.391 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.938 4.480 -12.060 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.806 1.837 -11.030 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.754 1.606 -12.503 1.00 0.00 H new ATOM 1349 N VAL B 27 1.140 2.636 -7.539 1.00 0.00 N ATOM 1350 CA VAL B 27 0.841 1.756 -6.429 1.00 0.00 C ATOM 1351 C VAL B 27 -0.479 2.163 -5.821 1.00 0.00 C ATOM 1352 O VAL B 27 -1.309 1.317 -5.528 1.00 0.00 O ATOM 1353 CB VAL B 27 1.986 1.790 -5.413 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.616 0.980 -4.160 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.230 1.182 -6.075 1.00 0.00 C ATOM 0 H VAL B 27 1.967 3.216 -7.402 1.00 0.00 H new ATOM 0 HA VAL B 27 0.750 0.725 -6.772 1.00 0.00 H new ATOM 0 HB VAL B 27 2.180 2.819 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.441 1.014 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.723 1.406 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.422 -0.055 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.061 1.195 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.020 0.154 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.494 1.765 -6.957 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.689 3.469 -5.696 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.945 3.979 -5.187 1.00 0.00 C ATOM 1367 C VAL B 28 -3.068 3.519 -6.120 1.00 0.00 C ATOM 1368 O VAL B 28 -4.170 3.209 -5.678 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.908 5.516 -5.120 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.266 6.037 -4.643 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.808 5.977 -4.148 1.00 0.00 C ATOM 0 H VAL B 28 -0.006 4.186 -5.940 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.118 3.599 -4.180 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.692 5.912 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.242 7.126 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.042 5.722 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.483 5.635 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.791 7.066 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.012 5.581 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.159 5.611 -4.493 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.751 3.456 -7.415 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.704 3.018 -8.424 1.00 0.00 C ATOM 1383 C ALA B 29 -4.161 1.607 -8.099 1.00 0.00 C ATOM 1384 O ALA B 29 -5.354 1.287 -8.142 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.019 3.033 -9.803 1.00 0.00 C ATOM 0 H ALA B 29 -1.834 3.706 -7.786 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.566 3.685 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.727 2.706 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.682 4.044 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.162 2.359 -9.791 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.185 0.775 -7.759 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.438 -0.593 -7.416 1.00 0.00 C ATOM 1393 C PHE B 30 -4.085 -0.701 -6.029 1.00 0.00 C ATOM 1394 O PHE B 30 -5.046 -1.445 -5.858 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.110 -1.364 -7.489 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.590 -1.361 -8.928 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.379 -1.861 -9.989 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.321 -0.816 -9.216 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.896 -1.814 -11.296 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.141 -0.772 -10.525 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.644 -1.268 -11.566 1.00 0.00 C ATOM 0 H PHE B 30 -2.201 1.042 -7.717 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.145 -1.030 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.376 -0.906 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.254 -2.389 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.354 -2.279 -9.787 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.294 -0.432 -8.415 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.497 -2.204 -12.104 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.113 -0.352 -10.738 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.280 -1.228 -12.582 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.585 0.067 -5.050 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.153 0.041 -3.697 1.00 0.00 C ATOM 1413 C ILE B 31 -5.625 0.427 -3.750 1.00 0.00 C ATOM 1414 O ILE B 31 -6.485 -0.254 -3.186 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.387 1.007 -2.778 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.932 0.535 -2.616 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.053 1.041 -1.396 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.092 1.671 -2.028 1.00 0.00 C ATOM 0 H ILE B 31 -2.799 0.706 -5.168 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.062 -0.968 -3.294 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.402 2.002 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.891 -0.337 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.527 0.230 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.508 1.726 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.084 1.379 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.040 0.042 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.060 1.338 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.123 2.531 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.493 1.954 -1.055 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.899 1.516 -4.453 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.258 2.004 -4.618 1.00 0.00 C ATOM 1432 C ASN B 32 -8.129 0.945 -5.304 1.00 0.00 C ATOM 1433 O ASN B 32 -9.338 0.890 -5.076 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.244 3.286 -5.460 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.538 4.079 -5.289 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.501 3.605 -4.682 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.611 5.276 -5.790 1.00 0.00 N ATOM 0 H ASN B 32 -5.191 2.082 -4.921 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.677 2.216 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.395 3.905 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.108 3.031 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.465 5.823 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.814 5.668 -6.292 1.00 0.00 H new ATOM 1444 N SER B 33 -7.509 0.101 -6.142 1.00 0.00 N ATOM 1445 CA SER B 33 -8.241 -0.933 -6.833 1.00 0.00 C ATOM 1446 C SER B 33 -8.545 -2.083 -5.883 1.00 0.00 C ATOM 1447 O SER B 33 -9.570 -2.742 -6.029 1.00 0.00 O ATOM 1448 CB SER B 33 -7.477 -1.383 -8.064 1.00 0.00 C ATOM 1449 OG SER B 33 -7.754 -0.494 -9.139 1.00 0.00 O ATOM 0 H SER B 33 -6.510 0.125 -6.347 1.00 0.00 H new ATOM 0 HA SER B 33 -9.197 -0.538 -7.176 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.407 -1.399 -7.857 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.765 -2.399 -8.334 1.00 0.00 H new ATOM 0 HG SER B 33 -7.111 0.245 -9.126 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.679 -2.300 -4.876 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.956 -3.352 -3.896 1.00 0.00 C ATOM 1457 C LEU B 34 -9.234 -2.937 -3.179 1.00 0.00 C ATOM 1458 O LEU B 34 -10.154 -3.734 -3.006 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.829 -3.523 -2.862 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.451 -3.333 -3.508 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.352 -3.594 -2.499 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.271 -4.289 -4.660 1.00 0.00 C ATOM 0 H LEU B 34 -6.814 -1.780 -4.726 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.046 -4.309 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.959 -2.801 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.890 -4.515 -2.414 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.392 -2.305 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.381 -3.455 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.451 -2.899 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.432 -4.617 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.288 -4.140 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.354 -5.314 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.041 -4.105 -5.409 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.290 -1.644 -2.817 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.489 -1.082 -2.176 1.00 0.00 C ATOM 1476 C ARG B 35 -11.692 -1.312 -3.087 1.00 0.00 C ATOM 1477 O ARG B 35 -12.770 -1.696 -2.630 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.334 0.436 -1.946 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.357 0.704 -0.801 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.346 2.182 -0.423 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.924 2.335 0.975 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.428 3.299 1.738 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.890 4.485 1.735 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.466 3.060 2.487 1.00 0.00 N ATOM 0 H ARG B 35 -8.530 -0.977 -2.955 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.628 -1.574 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.976 0.914 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.304 0.876 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.636 0.106 0.066 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.354 0.393 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.669 2.729 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.339 2.610 -0.562 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.235 1.693 1.366 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.080 4.676 1.146 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.279 5.223 2.322 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.892 2.133 2.488 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.853 3.800 3.073 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.473 -1.089 -4.385 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.511 -1.283 -5.392 1.00 0.00 C ATOM 1500 C ASP B 36 -12.888 -2.761 -5.498 1.00 0.00 C ATOM 1501 O ASP B 36 -14.050 -3.099 -5.732 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.005 -0.779 -6.752 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.114 -0.879 -7.800 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.916 0.036 -7.877 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.147 -1.876 -8.505 1.00 0.00 O ATOM 0 H ASP B 36 -10.580 -0.772 -4.762 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.396 -0.719 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.671 0.255 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.143 -1.366 -7.068 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.887 -3.627 -5.336 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.093 -5.071 -5.428 1.00 0.00 C ATOM 1512 C ASP B 37 -11.043 -5.830 -4.624 1.00 0.00 C ATOM 1513 O ASP B 37 -9.951 -6.123 -5.121 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.034 -5.515 -6.897 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.443 -5.686 -7.461 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.014 -6.746 -7.260 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.925 -4.760 -8.091 1.00 0.00 O ATOM 0 H ASP B 37 -10.924 -3.352 -5.140 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.075 -5.299 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.488 -4.777 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.487 -6.454 -6.977 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.367 -6.170 -3.401 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.450 -6.935 -2.522 1.00 0.00 C ATOM 1524 C PRO B 38 -10.287 -8.373 -3.002 1.00 0.00 C ATOM 1525 O PRO B 38 -9.256 -9.006 -2.764 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.108 -6.899 -1.143 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.365 -6.098 -1.256 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.641 -5.863 -2.736 1.00 0.00 C ATOM 0 HA PRO B 38 -9.448 -6.506 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.329 -7.909 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.435 -6.453 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.197 -6.627 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.260 -5.148 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.443 -6.507 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.949 -4.834 -2.924 1.00 0.00 H new ATOM 1536 N SER B 39 -11.314 -8.871 -3.694 1.00 0.00 N ATOM 1537 CA SER B 39 -11.291 -10.225 -4.229 1.00 0.00 C ATOM 1538 C SER B 39 -10.226 -10.313 -5.304 1.00 0.00 C ATOM 1539 O SER B 39 -9.490 -11.298 -5.392 1.00 0.00 O ATOM 1540 CB SER B 39 -12.657 -10.584 -4.816 1.00 0.00 C ATOM 1541 OG SER B 39 -13.659 -10.403 -3.823 1.00 0.00 O ATOM 0 H SER B 39 -12.170 -8.353 -3.895 1.00 0.00 H new ATOM 0 HA SER B 39 -11.063 -10.928 -3.428 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.870 -9.957 -5.682 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.656 -11.617 -5.164 1.00 0.00 H new ATOM 0 HG SER B 39 -14.536 -10.631 -4.197 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.147 -9.250 -6.108 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.172 -9.171 -7.173 1.00 0.00 C ATOM 1549 C GLN B 40 -7.997 -8.306 -6.748 1.00 0.00 C ATOM 1550 O GLN B 40 -7.264 -7.805 -7.595 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.790 -8.633 -8.477 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.329 -8.730 -8.460 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.918 -7.875 -9.577 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.763 -8.339 -10.341 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.512 -6.645 -9.718 1.00 0.00 N ATOM 0 H GLN B 40 -10.754 -8.434 -6.033 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.818 -10.183 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.492 -7.594 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.399 -9.196 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.638 -9.768 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.712 -8.397 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.811 -6.263 -9.083 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.895 -6.064 -10.464 1.00 0.00 H new ATOM 1564 N SER B 41 -7.797 -8.148 -5.432 1.00 0.00 N ATOM 1565 CA SER B 41 -6.677 -7.361 -4.945 1.00 0.00 C ATOM 1566 C SER B 41 -5.391 -7.924 -5.536 1.00 0.00 C ATOM 1567 O SER B 41 -4.444 -7.200 -5.836 1.00 0.00 O ATOM 1568 CB SER B 41 -6.630 -7.437 -3.412 1.00 0.00 C ATOM 1569 OG SER B 41 -5.431 -6.846 -2.925 1.00 0.00 O ATOM 0 H SER B 41 -8.389 -8.550 -4.705 1.00 0.00 H new ATOM 0 HA SER B 41 -6.790 -6.319 -5.243 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.494 -6.924 -2.989 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.687 -8.477 -3.091 1.00 0.00 H new ATOM 0 HG SER B 41 -4.755 -7.542 -2.789 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.414 -9.233 -5.711 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.314 -9.983 -6.291 1.00 0.00 C ATOM 1577 C ALA B 42 -4.227 -9.742 -7.802 1.00 0.00 C ATOM 1578 O ALA B 42 -3.164 -9.888 -8.400 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.556 -11.469 -6.041 1.00 0.00 C ATOM 0 H ALA B 42 -6.210 -9.814 -5.450 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.381 -9.657 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.738 -12.048 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.607 -11.654 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.496 -11.768 -6.506 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.377 -9.409 -8.400 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.496 -9.181 -9.838 1.00 0.00 C ATOM 1587 C ASN B 43 -4.806 -7.913 -10.280 1.00 0.00 C ATOM 1588 O ASN B 43 -3.981 -7.928 -11.187 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.956 -9.066 -10.183 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.175 -9.293 -11.676 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.705 -10.328 -12.076 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.784 -8.387 -12.528 1.00 0.00 N ATOM 0 H ASN B 43 -6.254 -9.290 -7.893 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.020 -10.019 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.529 -9.796 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.325 -8.080 -9.902 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.918 -8.536 -13.528 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.345 -7.529 -12.194 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.144 -6.808 -9.634 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.526 -5.562 -9.974 1.00 0.00 C ATOM 1601 C LEU B 44 -3.114 -5.584 -9.408 1.00 0.00 C ATOM 1602 O LEU B 44 -2.201 -4.979 -9.947 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.400 -4.340 -9.610 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.538 -4.068 -8.124 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.444 -5.102 -7.484 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.191 -4.006 -7.431 1.00 0.00 C ATOM 0 H LEU B 44 -5.834 -6.760 -8.884 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.438 -5.442 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.978 -3.456 -10.088 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.395 -4.486 -10.031 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.995 -3.086 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.535 -4.896 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.430 -5.059 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.019 -6.096 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.337 -3.809 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.673 -4.957 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.593 -3.207 -7.869 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.926 -6.376 -8.348 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.600 -6.573 -7.802 1.00 0.00 C ATOM 1620 C LEU B 45 -0.819 -7.247 -8.914 1.00 0.00 C ATOM 1621 O LEU B 45 0.355 -6.973 -9.152 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.657 -7.483 -6.563 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.365 -8.310 -6.428 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.821 -7.377 -6.192 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.492 -9.302 -5.263 1.00 0.00 C ATOM 0 H LEU B 45 -3.669 -6.880 -7.864 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.143 -5.636 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.801 -6.877 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.515 -8.151 -6.637 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.203 -8.870 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.734 -7.965 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.918 -6.691 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.659 -6.808 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.427 -9.881 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.664 -8.755 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.329 -9.975 -5.448 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.550 -8.104 -9.622 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.011 -8.819 -10.764 1.00 0.00 C ATOM 1639 C ALA B 46 -0.645 -7.784 -11.819 1.00 0.00 C ATOM 1640 O ALA B 46 0.410 -7.850 -12.443 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.056 -9.801 -11.316 1.00 0.00 C ATOM 0 H ALA B 46 -2.526 -8.318 -9.418 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.132 -9.397 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.640 -10.332 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.326 -10.518 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.944 -9.251 -11.627 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.529 -6.797 -11.950 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.332 -5.684 -12.857 1.00 0.00 C ATOM 1649 C GLU B 47 -0.133 -4.861 -12.406 1.00 0.00 C ATOM 1650 O GLU B 47 0.533 -4.226 -13.218 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.562 -4.755 -12.871 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.782 -5.440 -13.472 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.524 -5.837 -14.927 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.245 -4.956 -15.724 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.616 -7.018 -15.224 1.00 0.00 O ATOM 0 H GLU B 47 -2.403 -6.753 -11.425 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.172 -6.094 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.789 -4.437 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.332 -3.856 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.031 -6.326 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.642 -4.772 -13.420 1.00 0.00 H new ATOM 1662 N ALA B 48 0.089 -4.834 -11.087 1.00 0.00 N ATOM 1663 CA ALA B 48 1.148 -4.046 -10.505 1.00 0.00 C ATOM 1664 C ALA B 48 2.484 -4.682 -10.726 1.00 0.00 C ATOM 1665 O ALA B 48 3.411 -4.042 -11.188 1.00 0.00 O ATOM 1666 CB ALA B 48 0.893 -3.964 -9.016 1.00 0.00 C ATOM 0 H ALA B 48 -0.463 -5.358 -10.409 1.00 0.00 H new ATOM 0 HA ALA B 48 1.158 -3.060 -10.970 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.678 -3.373 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.073 -3.492 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.890 -4.968 -8.592 1.00 0.00 H new ATOM 1672 N LYS B 49 2.568 -5.955 -10.421 1.00 0.00 N ATOM 1673 CA LYS B 49 3.808 -6.670 -10.628 1.00 0.00 C ATOM 1674 C LYS B 49 4.084 -6.697 -12.125 1.00 0.00 C ATOM 1675 O LYS B 49 5.225 -6.609 -12.551 1.00 0.00 O ATOM 1676 CB LYS B 49 3.720 -8.053 -9.989 1.00 0.00 C ATOM 1677 CG LYS B 49 2.636 -8.864 -10.666 1.00 0.00 C ATOM 1678 CD LYS B 49 2.518 -10.248 -10.008 1.00 0.00 C ATOM 1679 CE LYS B 49 1.934 -10.118 -8.590 1.00 0.00 C ATOM 1680 NZ LYS B 49 0.683 -10.923 -8.487 1.00 0.00 N ATOM 0 H LYS B 49 1.806 -6.512 -10.034 1.00 0.00 H new ATOM 0 HA LYS B 49 4.651 -6.177 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.678 -8.565 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.505 -7.959 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.683 -8.339 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.864 -8.976 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS B 49 1.881 -10.893 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.499 -10.721 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.661 -10.461 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.724 -9.072 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.566 -11.259 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -0.132 -10.333 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 0.741 -11.739 -9.129 1.00 0.00 H new ATOM 1694 N LYS B 50 2.998 -6.725 -12.906 1.00 0.00 N ATOM 1695 CA LYS B 50 3.077 -6.661 -14.356 1.00 0.00 C ATOM 1696 C LYS B 50 3.558 -5.281 -14.771 1.00 0.00 C ATOM 1697 O LYS B 50 4.344 -5.144 -15.698 1.00 0.00 O ATOM 1698 CB LYS B 50 1.703 -6.916 -14.949 1.00 0.00 C ATOM 1699 CG LYS B 50 1.784 -7.026 -16.477 1.00 0.00 C ATOM 1700 CD LYS B 50 0.413 -7.431 -17.033 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.535 -6.224 -17.037 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.867 -6.645 -17.554 1.00 0.00 N ATOM 0 H LYS B 50 2.046 -6.793 -12.545 1.00 0.00 H new ATOM 0 HA LYS B 50 3.774 -7.416 -14.718 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.287 -7.835 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.026 -6.107 -14.673 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.095 -6.073 -16.905 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.535 -7.763 -16.760 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.523 -7.819 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.010 -8.233 -16.428 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.634 -5.822 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.126 -5.428 -17.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.583 -5.942 -17.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.830 -6.718 -18.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.119 -7.570 -17.151 1.00 0.00 H new ATOM 1716 N LEU B 51 3.077 -4.258 -14.062 1.00 0.00 N ATOM 1717 CA LEU B 51 3.480 -2.886 -14.349 1.00 0.00 C ATOM 1718 C LEU B 51 4.922 -2.717 -13.969 1.00 0.00 C ATOM 1719 O LEU B 51 5.711 -2.118 -14.696 1.00 0.00 O ATOM 1720 CB LEU B 51 2.618 -1.890 -13.568 1.00 0.00 C ATOM 1721 CG LEU B 51 1.725 -1.122 -14.532 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.598 -0.169 -15.359 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.970 -2.112 -15.446 1.00 0.00 C ATOM 0 H LEU B 51 2.414 -4.355 -13.293 1.00 0.00 H new ATOM 0 HA LEU B 51 3.345 -2.689 -15.413 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.009 -2.418 -12.834 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.254 -1.198 -13.016 1.00 0.00 H new ATOM 0 HG LEU B 51 0.986 -0.541 -13.981 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.970 0.388 -16.055 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.108 0.527 -14.693 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.336 -0.744 -15.918 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.332 -1.558 -16.134 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.688 -2.703 -16.014 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.356 -2.775 -14.836 1.00 0.00 H new ATOM 1735 N ASN B 52 5.260 -3.306 -12.842 1.00 0.00 N ATOM 1736 CA ASN B 52 6.624 -3.292 -12.372 1.00 0.00 C ATOM 1737 C ASN B 52 7.446 -4.009 -13.413 1.00 0.00 C ATOM 1738 O ASN B 52 8.540 -3.579 -13.777 1.00 0.00 O ATOM 1739 CB ASN B 52 6.719 -4.001 -11.025 1.00 0.00 C ATOM 1740 CG ASN B 52 8.171 -4.308 -10.679 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.777 -3.636 -9.848 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.759 -5.293 -11.279 1.00 0.00 N ATOM 0 H ASN B 52 4.606 -3.801 -12.235 1.00 0.00 H new ATOM 0 HA ASN B 52 6.986 -2.274 -12.229 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.279 -3.376 -10.248 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.143 -4.926 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.731 -5.515 -11.063 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.250 -5.847 -11.968 1.00 0.00 H new ATOM 1749 N ASP B 53 6.858 -5.089 -13.919 1.00 0.00 N ATOM 1750 CA ASP B 53 7.496 -5.863 -14.977 1.00 0.00 C ATOM 1751 C ASP B 53 7.585 -5.003 -16.234 1.00 0.00 C ATOM 1752 O ASP B 53 8.548 -5.086 -16.994 1.00 0.00 O ATOM 1753 CB ASP B 53 6.709 -7.150 -15.275 1.00 0.00 C ATOM 1754 CG ASP B 53 6.783 -8.143 -14.104 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.696 -8.037 -13.296 1.00 0.00 O ATOM 1756 OD2 ASP B 53 5.915 -8.996 -14.030 1.00 0.00 O ATOM 0 H ASP B 53 5.951 -5.445 -13.617 1.00 0.00 H new ATOM 0 HA ASP B 53 8.495 -6.152 -14.650 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.667 -6.901 -15.477 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.105 -7.619 -16.176 1.00 0.00 H new ATOM 1761 N ALA B 54 6.558 -4.176 -16.428 1.00 0.00 N ATOM 1762 CA ALA B 54 6.484 -3.281 -17.574 1.00 0.00 C ATOM 1763 C ALA B 54 7.568 -2.208 -17.488 1.00 0.00 C ATOM 1764 O ALA B 54 8.168 -1.840 -18.499 1.00 0.00 O ATOM 1765 CB ALA B 54 5.101 -2.627 -17.612 1.00 0.00 C ATOM 0 H ALA B 54 5.760 -4.110 -15.797 1.00 0.00 H new ATOM 0 HA ALA B 54 6.644 -3.855 -18.487 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.040 -1.955 -18.468 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.336 -3.398 -17.700 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.941 -2.061 -16.695 1.00 0.00 H new ATOM 1771 N GLN B 55 7.811 -1.717 -16.270 1.00 0.00 N ATOM 1772 CA GLN B 55 8.824 -0.689 -16.043 1.00 0.00 C ATOM 1773 C GLN B 55 10.188 -1.309 -15.738 1.00 0.00 C ATOM 1774 O GLN B 55 11.181 -0.594 -15.589 1.00 0.00 O ATOM 1775 CB GLN B 55 8.392 0.174 -14.877 1.00 0.00 C ATOM 1776 CG GLN B 55 7.122 0.943 -15.238 1.00 0.00 C ATOM 1777 CD GLN B 55 6.321 1.208 -13.976 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.079 2.360 -13.618 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.907 0.195 -13.269 1.00 0.00 N ATOM 0 H GLN B 55 7.319 -2.016 -15.428 1.00 0.00 H new ATOM 0 HA GLN B 55 8.920 -0.090 -16.948 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.213 -0.448 -14.000 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.188 0.872 -14.616 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.379 1.884 -15.724 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.525 0.370 -15.948 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.112 -0.757 -13.573 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.378 0.354 -12.412 1.00 0.00 H new ATOM 1788 N ALA B 56 10.222 -2.637 -15.635 1.00 0.00 N ATOM 1789 CA ALA B 56 11.467 -3.350 -15.333 1.00 0.00 C ATOM 1790 C ALA B 56 12.507 -3.141 -16.425 1.00 0.00 C ATOM 1791 O ALA B 56 12.193 -2.667 -17.517 1.00 0.00 O ATOM 1792 CB ALA B 56 11.199 -4.846 -15.170 1.00 0.00 C ATOM 0 H ALA B 56 9.408 -3.240 -15.755 1.00 0.00 H new ATOM 0 HA ALA B 56 11.857 -2.944 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.133 -5.361 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.494 -5.002 -14.354 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.778 -5.243 -16.094 1.00 0.00 H new ATOM 1798 N PRO B 57 13.746 -3.474 -16.138 1.00 0.00 N ATOM 1799 CA PRO B 57 14.871 -3.315 -17.092 1.00 0.00 C ATOM 1800 C PRO B 57 14.951 -4.477 -18.083 1.00 0.00 C ATOM 1801 O PRO B 57 16.033 -4.975 -18.405 1.00 0.00 O ATOM 1802 CB PRO B 57 16.109 -3.255 -16.177 1.00 0.00 C ATOM 1803 CG PRO B 57 15.611 -3.411 -14.774 1.00 0.00 C ATOM 1804 CD PRO B 57 14.233 -4.032 -14.875 1.00 0.00 C ATOM 0 HA PRO B 57 14.767 -2.431 -17.721 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.815 -4.047 -16.428 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.635 -2.308 -16.298 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.281 -4.045 -14.193 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.566 -2.446 -14.268 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.276 -5.121 -14.898 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.597 -3.756 -14.034 1.00 0.00 H new ATOM 1812 N LYS B 58 13.783 -4.893 -18.557 1.00 0.00 N ATOM 1813 CA LYS B 58 13.682 -5.998 -19.516 1.00 0.00 C ATOM 1814 C LYS B 58 14.557 -5.734 -20.747 1.00 0.00 C ATOM 1815 O LYS B 58 15.263 -6.641 -21.154 1.00 0.00 O ATOM 1816 CB LYS B 58 12.231 -6.213 -19.971 1.00 0.00 C ATOM 1817 CG LYS B 58 11.227 -5.831 -18.866 1.00 0.00 C ATOM 1818 CD LYS B 58 10.600 -4.462 -19.179 1.00 0.00 C ATOM 1819 CE LYS B 58 9.410 -4.637 -20.130 1.00 0.00 C ATOM 1820 NZ LYS B 58 9.020 -3.310 -20.682 1.00 0.00 N ATOM 1821 OXT LYS B 58 14.509 -4.627 -21.260 1.00 0.00 O ATOM 0 H LYS B 58 12.887 -4.483 -18.295 1.00 0.00 H new ATOM 0 HA LYS B 58 14.031 -6.896 -19.007 1.00 0.00 H new ATOM 0 HB2 LYS B 58 12.036 -5.616 -20.862 1.00 0.00 H new ATOM 0 HB3 LYS B 58 12.087 -7.257 -20.249 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.448 -6.589 -18.793 1.00 0.00 H new ATOM 0 HG3 LYS B 58 11.731 -5.798 -17.900 1.00 0.00 H new ATOM 0 HD2 LYS B 58 10.272 -3.983 -18.256 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.344 -3.806 -19.631 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.674 -5.317 -20.940 1.00 0.00 H new ATOM 0 HE3 LYS B 58 8.569 -5.084 -19.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 8.439 -3.446 -21.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 8.473 -2.785 -19.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 9.875 -2.772 -20.928 1.00 0.00 H new TER 1835 LYS B 58