USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=20 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= -1.53 K(o=-6.6,f=-4.4) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.04! C(o=-6.6!,f=-12!) USER MOD Set 2.1: B 39 SER OG : rot 180:sc=-0.00313 USER MOD Set 2.2: B 40 GLN : amide:sc= -0.887 K(o=-0.89,f=-0.3) USER MOD Set 3.1: B 26 GLN : amide:sc= -9.06! K(o=-16!,f=-1.5) USER MOD Set 3.2: B 55 GLN : amide:sc= -6.88! K(o=-16!,f=-1.5) USER MOD Set 4.1: B 23 ASN : amide:sc= -9.09! C(o=-9.5!,f=-19!) USER MOD Set 4.2: B 24 SER OG : rot -130:sc= -0.431 USER MOD Set 5.1: A 23 ASN : amide:sc= -3.77 K(o=-19,f=-17!) USER MOD Set 5.2: A 26 GLN : amide:sc= -6.46! K(o=-19!,f=-8.2) USER MOD Set 5.3: A 55 GLN : amide:sc= -8.58! C(o=-19!,f=-8.2!) USER MOD Set 6.1: A 21 ASN : amide:sc= -3.38 K(o=-11,f=-23!) USER MOD Set 6.2: A 52 ASN : amide:sc= -7.76! C(o=-11!,f=-18!) USER MOD Set 7.1: A 13 THR OG1 : rot 109:sc= -4.02 USER MOD Set 7.2: B 17 MET CE :methyl -125:sc= -11.6! (180deg=-13.2!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0962 (180deg=-0.699) USER MOD Single : A 3 ASN : amide:sc= -2.04 K(o=-2,f=-0.079) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 0.927 (180deg=-0.318) USER MOD Single : A 6 ASN : amide:sc= -5.17! C(o=-5.2!,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.0188 (180deg=-0.275) USER MOD Single : A 18 ASN : amide:sc= -5.5! K(o=-5.5!,f=-2.9) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.741 (180deg=-1.17) USER MOD Single : A 33 SER OG : rot 75:sc= 0.977 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.69 K(o=-1.7,f=0) USER MOD Single : A 41 SER OG : rot -92:sc= 0.666 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.867 (180deg=0.44) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= 1.17 (180deg=-0.449) USER MOD Single : B 1 VAL N :NH3+ -131:sc= -0.667 (180deg=-0.939) USER MOD Single : B 3 ASN : amide:sc= -1.91 K(o=-1.9,f=-1) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.03) USER MOD Single : B 6 ASN : amide:sc= -0.885! X(o=-0.88!,f=-0.9) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 33 SER OG : rot 89:sc= 0.0912 USER MOD Single : B 41 SER OG : rot -92:sc= -3.56! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 142:sc= 1.05 (180deg=-1.28!) USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.979) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc=-0.00216 (180deg=-0.197) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.774 -14.722 5.303 1.00 0.00 N ATOM 2 CA VAL A 1 13.193 -13.730 6.252 1.00 0.00 C ATOM 3 C VAL A 1 11.668 -13.805 6.188 1.00 0.00 C ATOM 4 O VAL A 1 11.096 -14.148 5.150 1.00 0.00 O ATOM 5 CB VAL A 1 13.672 -12.315 5.874 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.124 -11.286 6.877 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.208 -12.269 5.891 1.00 0.00 C ATOM 0 H1 VAL A 1 14.753 -14.935 5.580 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.210 -15.595 5.325 1.00 0.00 H new ATOM 0 H3 VAL A 1 13.765 -14.328 4.340 1.00 0.00 H new ATOM 0 HA VAL A 1 13.520 -13.954 7.267 1.00 0.00 H new ATOM 0 HB VAL A 1 13.307 -12.074 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.468 -10.289 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.034 -11.310 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.480 -11.528 7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.545 -11.268 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.568 -12.519 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 1 15.602 -12.988 5.173 1.00 0.00 H new ATOM 19 N ASP A 2 11.021 -13.475 7.305 1.00 0.00 N ATOM 20 CA ASP A 2 9.559 -13.494 7.386 1.00 0.00 C ATOM 21 C ASP A 2 8.948 -12.459 6.440 1.00 0.00 C ATOM 22 O ASP A 2 9.576 -11.449 6.123 1.00 0.00 O ATOM 23 CB ASP A 2 9.101 -13.214 8.830 1.00 0.00 C ATOM 24 CG ASP A 2 9.970 -12.133 9.495 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.295 -11.155 8.837 1.00 0.00 O ATOM 26 OD2 ASP A 2 10.294 -12.301 10.658 1.00 0.00 O ATOM 0 H ASP A 2 11.486 -13.191 8.168 1.00 0.00 H new ATOM 0 HA ASP A 2 9.216 -14.484 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.059 -12.894 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.151 -14.133 9.414 1.00 0.00 H new ATOM 31 N ASN A 3 7.721 -12.727 5.996 1.00 0.00 N ATOM 32 CA ASN A 3 7.016 -11.822 5.084 1.00 0.00 C ATOM 33 C ASN A 3 6.166 -10.815 5.864 1.00 0.00 C ATOM 34 O ASN A 3 5.362 -10.087 5.277 1.00 0.00 O ATOM 35 CB ASN A 3 6.121 -12.631 4.133 1.00 0.00 C ATOM 36 CG ASN A 3 6.959 -13.555 3.240 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.406 -14.274 2.410 1.00 0.00 O ATOM 38 ND2 ASN A 3 8.261 -13.579 3.354 1.00 0.00 N ATOM 0 H ASN A 3 7.193 -13.562 6.251 1.00 0.00 H new ATOM 0 HA ASN A 3 7.758 -11.272 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.412 -13.224 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.537 -11.952 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.814 -14.193 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.724 -12.984 4.041 1.00 0.00 H new ATOM 45 N LYS A 4 6.343 -10.780 7.189 1.00 0.00 N ATOM 46 CA LYS A 4 5.578 -9.859 8.033 1.00 0.00 C ATOM 47 C LYS A 4 5.799 -8.412 7.594 1.00 0.00 C ATOM 48 O LYS A 4 4.849 -7.639 7.506 1.00 0.00 O ATOM 49 CB LYS A 4 5.971 -10.033 9.509 1.00 0.00 C ATOM 50 CG LYS A 4 7.439 -9.636 9.729 1.00 0.00 C ATOM 51 CD LYS A 4 7.879 -10.055 11.138 1.00 0.00 C ATOM 52 CE LYS A 4 7.239 -9.138 12.190 1.00 0.00 C ATOM 53 NZ LYS A 4 7.649 -7.725 11.946 1.00 0.00 N ATOM 0 H LYS A 4 7.002 -11.372 7.695 1.00 0.00 H new ATOM 0 HA LYS A 4 4.519 -10.094 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.325 -9.420 10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.820 -11.069 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.072 -10.115 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.558 -8.560 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.591 -11.090 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.965 -10.008 11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.153 -9.224 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.545 -9.447 13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.575 -7.184 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.632 -7.702 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.026 -7.302 11.229 1.00 0.00 H new ATOM 67 N PHE A 5 7.057 -8.063 7.309 1.00 0.00 N ATOM 68 CA PHE A 5 7.399 -6.715 6.873 1.00 0.00 C ATOM 69 C PHE A 5 6.605 -6.352 5.621 1.00 0.00 C ATOM 70 O PHE A 5 6.147 -5.227 5.484 1.00 0.00 O ATOM 71 CB PHE A 5 8.914 -6.606 6.604 1.00 0.00 C ATOM 72 CG PHE A 5 9.244 -7.114 5.213 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.364 -8.488 4.980 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.415 -6.208 4.157 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.655 -8.959 3.694 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.707 -6.677 2.872 1.00 0.00 C ATOM 77 CZ PHE A 5 9.828 -8.053 2.640 1.00 0.00 C ATOM 0 H PHE A 5 7.852 -8.699 7.374 1.00 0.00 H new ATOM 0 HA PHE A 5 7.140 -6.013 7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.234 -5.569 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.464 -7.182 7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.232 -9.186 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.321 -5.147 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.746 -10.020 3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.839 -5.978 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.055 -8.415 1.648 1.00 0.00 H new ATOM 87 N ASN A 6 6.448 -7.324 4.713 1.00 0.00 N ATOM 88 CA ASN A 6 5.700 -7.106 3.483 1.00 0.00 C ATOM 89 C ASN A 6 4.236 -6.866 3.793 1.00 0.00 C ATOM 90 O ASN A 6 3.621 -5.946 3.261 1.00 0.00 O ATOM 91 CB ASN A 6 5.819 -8.337 2.590 1.00 0.00 C ATOM 92 CG ASN A 6 5.073 -8.132 1.281 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.916 -7.009 0.826 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.589 -9.166 0.654 1.00 0.00 N ATOM 0 H ASN A 6 6.831 -8.264 4.813 1.00 0.00 H new ATOM 0 HA ASN A 6 6.109 -6.233 2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.870 -8.543 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.418 -9.208 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.077 -9.039 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.722 -10.102 1.036 1.00 0.00 H new ATOM 101 N LYS A 7 3.690 -7.695 4.680 1.00 0.00 N ATOM 102 CA LYS A 7 2.305 -7.560 5.073 1.00 0.00 C ATOM 103 C LYS A 7 2.140 -6.213 5.749 1.00 0.00 C ATOM 104 O LYS A 7 1.176 -5.505 5.516 1.00 0.00 O ATOM 105 CB LYS A 7 1.912 -8.701 6.023 1.00 0.00 C ATOM 106 CG LYS A 7 0.384 -8.774 6.158 1.00 0.00 C ATOM 107 CD LYS A 7 -0.018 -10.066 6.886 1.00 0.00 C ATOM 108 CE LYS A 7 -0.451 -11.126 5.868 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.957 -12.328 6.587 1.00 0.00 N ATOM 0 H LYS A 7 4.189 -8.461 5.133 1.00 0.00 H new ATOM 0 HA LYS A 7 1.653 -7.617 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.297 -9.648 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.364 -8.541 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.017 -7.908 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.078 -8.744 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.820 -10.437 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.832 -9.863 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.228 -10.725 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.390 -11.398 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.420 -12.968 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.162 -12.821 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.643 -12.036 7.312 1.00 0.00 H new ATOM 123 N GLU A 8 3.125 -5.861 6.568 1.00 0.00 N ATOM 124 CA GLU A 8 3.107 -4.587 7.267 1.00 0.00 C ATOM 125 C GLU A 8 3.322 -3.432 6.291 1.00 0.00 C ATOM 126 O GLU A 8 2.659 -2.406 6.377 1.00 0.00 O ATOM 127 CB GLU A 8 4.178 -4.579 8.356 1.00 0.00 C ATOM 128 CG GLU A 8 3.787 -5.550 9.480 1.00 0.00 C ATOM 129 CD GLU A 8 4.979 -5.783 10.411 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.830 -6.588 10.063 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.026 -5.156 11.456 1.00 0.00 O ATOM 0 H GLU A 8 3.942 -6.440 6.762 1.00 0.00 H new ATOM 0 HA GLU A 8 2.130 -4.455 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.141 -4.867 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.294 -3.572 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.948 -5.145 10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.457 -6.498 9.054 1.00 0.00 H new ATOM 138 N LEU A 9 4.217 -3.644 5.334 1.00 0.00 N ATOM 139 CA LEU A 9 4.491 -2.657 4.283 1.00 0.00 C ATOM 140 C LEU A 9 3.205 -2.423 3.524 1.00 0.00 C ATOM 141 O LEU A 9 2.854 -1.292 3.201 1.00 0.00 O ATOM 142 CB LEU A 9 5.588 -3.196 3.346 1.00 0.00 C ATOM 143 CG LEU A 9 5.750 -2.280 2.119 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.561 -1.028 2.444 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.461 -3.032 1.014 1.00 0.00 C ATOM 0 H LEU A 9 4.772 -4.496 5.260 1.00 0.00 H new ATOM 0 HA LEU A 9 4.843 -1.718 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.533 -3.263 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.334 -4.205 3.022 1.00 0.00 H new ATOM 0 HG LEU A 9 4.751 -1.977 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.651 -0.410 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.058 -0.462 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.555 -1.317 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.575 -2.382 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.444 -3.347 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.876 -3.909 0.736 1.00 0.00 H new ATOM 157 N GLY A 10 2.483 -3.503 3.286 1.00 0.00 N ATOM 158 CA GLY A 10 1.231 -3.414 2.612 1.00 0.00 C ATOM 159 C GLY A 10 0.185 -2.838 3.540 1.00 0.00 C ATOM 160 O GLY A 10 -0.666 -2.054 3.131 1.00 0.00 O ATOM 0 H GLY A 10 2.756 -4.448 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.329 -2.786 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.922 -4.402 2.270 1.00 0.00 H new ATOM 164 N TRP A 11 0.222 -3.258 4.798 1.00 0.00 N ATOM 165 CA TRP A 11 -0.770 -2.783 5.730 1.00 0.00 C ATOM 166 C TRP A 11 -0.622 -1.337 6.079 1.00 0.00 C ATOM 167 O TRP A 11 -1.592 -0.587 6.005 1.00 0.00 O ATOM 168 CB TRP A 11 -0.866 -3.621 6.990 1.00 0.00 C ATOM 169 CG TRP A 11 -2.328 -3.701 7.356 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.800 -3.702 8.613 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.519 -3.749 6.473 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.182 -3.787 8.573 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.668 -3.806 7.282 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.712 -3.757 5.065 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.953 -3.865 6.728 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.982 -3.809 4.508 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.111 -3.862 5.335 1.00 0.00 C ATOM 0 H TRP A 11 0.909 -3.907 5.181 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.709 -2.893 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.455 -4.617 6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.290 -3.170 7.798 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.200 -3.646 9.509 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.773 -3.831 9.403 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.851 -3.722 4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.819 -3.913 7.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.100 -3.809 3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.099 -3.900 4.901 1.00 0.00 H new ATOM 188 N ALA A 12 0.568 -0.938 6.464 1.00 0.00 N ATOM 189 CA ALA A 12 0.773 0.437 6.820 1.00 0.00 C ATOM 190 C ALA A 12 0.372 1.309 5.634 1.00 0.00 C ATOM 191 O ALA A 12 -0.276 2.334 5.803 1.00 0.00 O ATOM 192 CB ALA A 12 2.226 0.663 7.214 1.00 0.00 C ATOM 0 H ALA A 12 1.391 -1.536 6.536 1.00 0.00 H new ATOM 0 HA ALA A 12 0.158 0.704 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.372 1.709 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.474 0.032 8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.874 0.410 6.375 1.00 0.00 H new ATOM 198 N THR A 13 0.693 0.837 4.425 1.00 0.00 N ATOM 199 CA THR A 13 0.306 1.529 3.204 1.00 0.00 C ATOM 200 C THR A 13 -1.202 1.721 3.189 1.00 0.00 C ATOM 201 O THR A 13 -1.681 2.816 2.931 1.00 0.00 O ATOM 202 CB THR A 13 0.747 0.676 2.019 1.00 0.00 C ATOM 203 OG1 THR A 13 2.134 0.845 1.841 1.00 0.00 O ATOM 204 CG2 THR A 13 0.008 1.076 0.746 1.00 0.00 C ATOM 0 H THR A 13 1.220 -0.023 4.272 1.00 0.00 H new ATOM 0 HA THR A 13 0.778 2.510 3.148 1.00 0.00 H new ATOM 0 HB THR A 13 0.513 -0.369 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.600 0.025 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.344 0.451 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.064 0.942 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.216 2.121 0.518 1.00 0.00 H new ATOM 212 N TRP A 14 -1.924 0.645 3.496 1.00 0.00 N ATOM 213 CA TRP A 14 -3.385 0.670 3.538 1.00 0.00 C ATOM 214 C TRP A 14 -3.901 1.575 4.645 1.00 0.00 C ATOM 215 O TRP A 14 -4.815 2.359 4.440 1.00 0.00 O ATOM 216 CB TRP A 14 -3.881 -0.736 3.823 1.00 0.00 C ATOM 217 CG TRP A 14 -5.348 -0.846 3.560 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.303 -0.880 4.519 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.044 -0.960 2.287 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.533 -1.039 3.919 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.427 -1.094 2.548 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.624 -0.973 0.940 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.346 -1.242 1.520 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.546 -1.122 -0.081 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.896 -1.261 0.203 1.00 0.00 C ATOM 0 H TRP A 14 -1.517 -0.263 3.721 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.745 1.046 2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.341 -1.450 3.201 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.673 -0.996 4.861 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.129 -0.796 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.414 -1.108 4.428 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.576 -0.866 0.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.399 -1.341 1.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.211 -1.130 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.604 -1.385 -0.604 1.00 0.00 H new ATOM 236 N GLU A 15 -3.316 1.433 5.824 1.00 0.00 N ATOM 237 CA GLU A 15 -3.731 2.216 6.976 1.00 0.00 C ATOM 238 C GLU A 15 -3.528 3.704 6.694 1.00 0.00 C ATOM 239 O GLU A 15 -4.382 4.529 7.022 1.00 0.00 O ATOM 240 CB GLU A 15 -2.942 1.742 8.197 1.00 0.00 C ATOM 241 CG GLU A 15 -3.322 0.278 8.501 1.00 0.00 C ATOM 242 CD GLU A 15 -2.368 -0.313 9.536 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.641 -0.173 10.716 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.377 -0.901 9.131 1.00 0.00 O ATOM 0 H GLU A 15 -2.552 0.782 6.008 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.792 2.074 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.871 1.822 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.162 2.375 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.346 0.230 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.286 -0.312 7.585 1.00 0.00 H new ATOM 251 N ILE A 16 -2.424 4.023 6.014 1.00 0.00 N ATOM 252 CA ILE A 16 -2.138 5.401 5.605 1.00 0.00 C ATOM 253 C ILE A 16 -3.143 5.790 4.509 1.00 0.00 C ATOM 254 O ILE A 16 -3.627 6.923 4.451 1.00 0.00 O ATOM 255 CB ILE A 16 -0.690 5.483 5.059 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.318 5.147 6.172 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.385 6.890 4.521 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.713 4.891 5.574 1.00 0.00 C ATOM 0 H ILE A 16 -1.714 3.346 5.735 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.230 6.083 6.450 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.599 4.762 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.367 5.968 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.017 4.267 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.637 6.922 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.077 7.129 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.498 7.619 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.414 4.655 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.662 4.054 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.052 5.783 5.046 1.00 0.00 H new ATOM 270 N PHE A 17 -3.450 4.806 3.660 1.00 0.00 N ATOM 271 CA PHE A 17 -4.403 4.955 2.553 1.00 0.00 C ATOM 272 C PHE A 17 -5.810 5.224 3.095 1.00 0.00 C ATOM 273 O PHE A 17 -6.587 5.978 2.508 1.00 0.00 O ATOM 274 CB PHE A 17 -4.423 3.633 1.766 1.00 0.00 C ATOM 275 CG PHE A 17 -4.685 3.836 0.295 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.622 4.116 -0.577 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.978 3.678 -0.206 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.857 4.244 -1.945 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.216 3.795 -1.575 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.156 4.079 -2.445 1.00 0.00 C ATOM 0 H PHE A 17 -3.041 3.874 3.721 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.103 5.789 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.468 3.124 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.190 2.979 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.621 4.232 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.795 3.465 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.042 4.469 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.216 3.667 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.340 4.171 -3.505 1.00 0.00 H new ATOM 290 N ASN A 18 -6.127 4.552 4.206 1.00 0.00 N ATOM 291 CA ASN A 18 -7.442 4.650 4.842 1.00 0.00 C ATOM 292 C ASN A 18 -7.518 5.770 5.885 1.00 0.00 C ATOM 293 O ASN A 18 -8.539 5.893 6.568 1.00 0.00 O ATOM 294 CB ASN A 18 -7.778 3.312 5.525 1.00 0.00 C ATOM 295 CG ASN A 18 -8.059 2.221 4.490 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.100 1.568 4.546 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.192 1.978 3.549 1.00 0.00 N ATOM 0 H ASN A 18 -5.481 3.927 4.688 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.160 4.884 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.948 3.007 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.647 3.438 6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.377 1.248 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.328 2.518 3.500 1.00 0.00 H new ATOM 304 N LEU A 19 -6.469 6.593 6.020 1.00 0.00 N ATOM 305 CA LEU A 19 -6.520 7.670 7.006 1.00 0.00 C ATOM 306 C LEU A 19 -7.508 8.743 6.538 1.00 0.00 C ATOM 307 O LEU A 19 -7.590 9.026 5.341 1.00 0.00 O ATOM 308 CB LEU A 19 -5.138 8.278 7.248 1.00 0.00 C ATOM 309 CG LEU A 19 -4.471 7.614 8.472 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.104 8.225 8.689 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.286 7.850 9.743 1.00 0.00 C ATOM 0 H LEU A 19 -5.606 6.536 5.479 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.859 7.254 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.513 8.142 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.229 9.352 7.412 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.404 6.544 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.630 7.759 9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.488 8.062 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.208 9.295 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.791 7.370 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.366 8.921 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.283 7.427 9.620 1.00 0.00 H new ATOM 323 N PRO A 20 -8.292 9.305 7.435 1.00 0.00 N ATOM 324 CA PRO A 20 -9.334 10.313 7.090 1.00 0.00 C ATOM 325 C PRO A 20 -8.846 11.762 6.957 1.00 0.00 C ATOM 326 O PRO A 20 -9.691 12.664 6.942 1.00 0.00 O ATOM 327 CB PRO A 20 -10.325 10.209 8.273 1.00 0.00 C ATOM 328 CG PRO A 20 -9.786 9.164 9.195 1.00 0.00 C ATOM 329 CD PRO A 20 -8.307 9.066 8.882 1.00 0.00 C ATOM 0 HA PRO A 20 -9.742 10.095 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.418 11.167 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.320 9.938 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.948 9.440 10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.284 8.207 9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.724 9.809 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.898 8.089 9.140 1.00 0.00 H new ATOM 337 N ASN A 21 -7.526 12.035 6.882 1.00 0.00 N ATOM 338 CA ASN A 21 -7.122 13.462 6.784 1.00 0.00 C ATOM 339 C ASN A 21 -5.860 13.691 5.962 1.00 0.00 C ATOM 340 O ASN A 21 -5.447 14.840 5.781 1.00 0.00 O ATOM 341 CB ASN A 21 -6.921 14.075 8.179 1.00 0.00 C ATOM 342 CG ASN A 21 -7.741 13.345 9.234 1.00 0.00 C ATOM 343 OD1 ASN A 21 -7.467 12.195 9.551 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.731 13.953 9.803 1.00 0.00 N ATOM 0 H ASN A 21 -6.770 11.350 6.886 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.945 13.954 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.865 14.035 8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.206 15.127 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.282 13.474 10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.960 14.911 9.540 1.00 0.00 H new ATOM 351 N LEU A 22 -5.245 12.629 5.467 1.00 0.00 N ATOM 352 CA LEU A 22 -4.026 12.781 4.675 1.00 0.00 C ATOM 353 C LEU A 22 -4.338 13.214 3.255 1.00 0.00 C ATOM 354 O LEU A 22 -5.373 12.846 2.694 1.00 0.00 O ATOM 355 CB LEU A 22 -3.251 11.473 4.651 1.00 0.00 C ATOM 356 CG LEU A 22 -2.896 11.062 6.080 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.083 9.783 6.045 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.059 12.147 6.750 1.00 0.00 C ATOM 0 H LEU A 22 -5.559 11.667 5.594 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.420 13.557 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.847 10.694 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.343 11.587 4.058 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.819 10.914 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.828 9.486 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.667 8.993 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.169 9.948 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.813 11.841 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.140 12.298 6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.625 13.078 6.778 1.00 0.00 H new ATOM 370 N ASN A 23 -3.423 13.993 2.675 1.00 0.00 N ATOM 371 CA ASN A 23 -3.593 14.470 1.311 1.00 0.00 C ATOM 372 C ASN A 23 -2.937 13.479 0.350 1.00 0.00 C ATOM 373 O ASN A 23 -2.115 12.660 0.766 1.00 0.00 O ATOM 374 CB ASN A 23 -3.003 15.888 1.170 1.00 0.00 C ATOM 375 CG ASN A 23 -1.531 15.851 0.772 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.221 15.724 -0.402 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.604 15.964 1.675 1.00 0.00 N ATOM 0 H ASN A 23 -2.564 14.303 3.129 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.652 14.535 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.568 16.444 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.111 16.422 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.379 15.946 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.859 16.070 2.657 1.00 0.00 H new ATOM 384 N GLY A 24 -3.322 13.545 -0.924 1.00 0.00 N ATOM 385 CA GLY A 24 -2.786 12.630 -1.934 1.00 0.00 C ATOM 386 C GLY A 24 -1.263 12.523 -1.865 1.00 0.00 C ATOM 387 O GLY A 24 -0.714 11.431 -1.983 1.00 0.00 O ATOM 0 H GLY A 24 -4.000 14.219 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.225 11.642 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.080 12.974 -2.926 1.00 0.00 H new ATOM 391 N VAL A 25 -0.595 13.658 -1.670 1.00 0.00 N ATOM 392 CA VAL A 25 0.865 13.687 -1.587 1.00 0.00 C ATOM 393 C VAL A 25 1.372 13.054 -0.302 1.00 0.00 C ATOM 394 O VAL A 25 2.319 12.275 -0.347 1.00 0.00 O ATOM 395 CB VAL A 25 1.378 15.126 -1.674 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.912 15.137 -1.631 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.893 15.743 -2.984 1.00 0.00 C ATOM 0 H VAL A 25 -1.041 14.570 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 25 1.244 13.107 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 25 1.000 15.703 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.270 16.165 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.253 14.690 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.304 14.564 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.252 16.769 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.277 15.163 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.197 15.738 -3.007 1.00 0.00 H new ATOM 407 N GLN A 26 0.768 13.389 0.845 1.00 0.00 N ATOM 408 CA GLN A 26 1.234 12.814 2.099 1.00 0.00 C ATOM 409 C GLN A 26 1.073 11.304 2.083 1.00 0.00 C ATOM 410 O GLN A 26 1.999 10.581 2.440 1.00 0.00 O ATOM 411 CB GLN A 26 0.500 13.433 3.289 1.00 0.00 C ATOM 412 CG GLN A 26 1.408 14.491 3.938 1.00 0.00 C ATOM 413 CD GLN A 26 0.564 15.554 4.616 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.622 16.729 4.256 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.224 15.199 5.575 1.00 0.00 N ATOM 0 H GLN A 26 -0.018 14.034 0.925 1.00 0.00 H new ATOM 0 HA GLN A 26 2.294 13.042 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.434 13.888 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.241 12.662 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.067 14.019 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.045 14.949 3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.265 14.222 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.806 15.895 6.041 1.00 0.00 H new ATOM 424 N VAL A 27 -0.082 10.830 1.619 1.00 0.00 N ATOM 425 CA VAL A 27 -0.311 9.389 1.530 1.00 0.00 C ATOM 426 C VAL A 27 0.709 8.788 0.568 1.00 0.00 C ATOM 427 O VAL A 27 1.330 7.766 0.856 1.00 0.00 O ATOM 428 CB VAL A 27 -1.734 9.089 1.031 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.940 7.571 0.950 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.760 9.682 2.002 1.00 0.00 C ATOM 0 H VAL A 27 -0.860 11.410 1.304 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.200 8.949 2.521 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.866 9.533 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.949 7.359 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.215 7.142 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.802 7.132 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.767 9.467 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.624 9.241 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.620 10.761 2.065 1.00 0.00 H new ATOM 440 N LYS A 28 0.886 9.467 -0.563 1.00 0.00 N ATOM 441 CA LYS A 28 1.838 9.054 -1.584 1.00 0.00 C ATOM 442 C LYS A 28 3.259 9.043 -1.020 1.00 0.00 C ATOM 443 O LYS A 28 4.063 8.184 -1.367 1.00 0.00 O ATOM 444 CB LYS A 28 1.735 10.035 -2.765 1.00 0.00 C ATOM 445 CG LYS A 28 2.612 9.588 -3.938 1.00 0.00 C ATOM 446 CD LYS A 28 2.921 10.800 -4.826 1.00 0.00 C ATOM 447 CE LYS A 28 1.677 11.198 -5.634 1.00 0.00 C ATOM 448 NZ LYS A 28 0.886 12.205 -4.867 1.00 0.00 N ATOM 0 H LYS A 28 0.373 10.318 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 28 1.607 8.043 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.697 10.107 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.037 11.031 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.538 9.147 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.101 8.818 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.246 11.638 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.743 10.564 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.973 11.611 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.066 10.319 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.333 12.788 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.242 11.716 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.532 12.814 -4.325 1.00 0.00 H new ATOM 462 N ALA A 29 3.543 10.005 -0.146 1.00 0.00 N ATOM 463 CA ALA A 29 4.847 10.130 0.476 1.00 0.00 C ATOM 464 C ALA A 29 5.082 9.006 1.442 1.00 0.00 C ATOM 465 O ALA A 29 6.160 8.423 1.476 1.00 0.00 O ATOM 466 CB ALA A 29 4.938 11.441 1.233 1.00 0.00 C ATOM 0 H ALA A 29 2.873 10.716 0.147 1.00 0.00 H new ATOM 0 HA ALA A 29 5.600 10.098 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.921 11.526 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.790 12.271 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.169 11.470 2.005 1.00 0.00 H new ATOM 472 N PHE A 30 4.056 8.700 2.223 1.00 0.00 N ATOM 473 CA PHE A 30 4.152 7.638 3.170 1.00 0.00 C ATOM 474 C PHE A 30 4.348 6.348 2.400 1.00 0.00 C ATOM 475 O PHE A 30 5.162 5.511 2.788 1.00 0.00 O ATOM 476 CB PHE A 30 2.904 7.599 4.052 1.00 0.00 C ATOM 477 CG PHE A 30 2.793 8.886 4.860 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.908 9.377 5.565 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.575 9.596 4.909 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.805 10.557 6.297 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.486 10.775 5.645 1.00 0.00 C ATOM 482 CZ PHE A 30 2.599 11.253 6.335 1.00 0.00 C ATOM 0 H PHE A 30 3.156 9.180 2.208 1.00 0.00 H new ATOM 0 HA PHE A 30 5.000 7.787 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.016 7.471 3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.951 6.742 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.844 8.838 5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.712 9.225 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.662 10.933 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.554 11.319 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.526 12.169 6.903 1.00 0.00 H new ATOM 492 N ILE A 31 3.651 6.234 1.256 1.00 0.00 N ATOM 493 CA ILE A 31 3.817 5.071 0.401 1.00 0.00 C ATOM 494 C ILE A 31 5.232 5.063 -0.150 1.00 0.00 C ATOM 495 O ILE A 31 5.886 4.035 -0.170 1.00 0.00 O ATOM 496 CB ILE A 31 2.784 5.053 -0.754 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.386 4.740 -0.181 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.161 3.988 -1.819 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.334 4.743 -1.295 1.00 0.00 C ATOM 0 H ILE A 31 2.982 6.925 0.916 1.00 0.00 H new ATOM 0 HA ILE A 31 3.644 4.174 0.996 1.00 0.00 H new ATOM 0 HB ILE A 31 2.780 6.031 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.398 3.768 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.124 5.479 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.421 3.995 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.143 4.218 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.184 3.002 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.645 4.520 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.309 5.724 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.588 3.987 -2.038 1.00 0.00 H new ATOM 511 N ASP A 32 5.691 6.225 -0.580 1.00 0.00 N ATOM 512 CA ASP A 32 7.036 6.359 -1.132 1.00 0.00 C ATOM 513 C ASP A 32 8.099 6.013 -0.092 1.00 0.00 C ATOM 514 O ASP A 32 9.094 5.351 -0.395 1.00 0.00 O ATOM 515 CB ASP A 32 7.229 7.792 -1.660 1.00 0.00 C ATOM 516 CG ASP A 32 6.369 8.045 -2.910 1.00 0.00 C ATOM 517 OD1 ASP A 32 5.956 7.085 -3.548 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.135 9.204 -3.212 1.00 0.00 O ATOM 0 H ASP A 32 5.155 7.093 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 32 7.151 5.654 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.964 8.508 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.280 7.956 -1.899 1.00 0.00 H new ATOM 523 N SER A 33 7.855 6.447 1.131 1.00 0.00 N ATOM 524 CA SER A 33 8.756 6.179 2.249 1.00 0.00 C ATOM 525 C SER A 33 8.712 4.693 2.605 1.00 0.00 C ATOM 526 O SER A 33 9.723 4.089 2.963 1.00 0.00 O ATOM 527 CB SER A 33 8.332 7.023 3.449 1.00 0.00 C ATOM 528 OG SER A 33 8.420 8.400 3.107 1.00 0.00 O ATOM 0 H SER A 33 7.031 6.994 1.382 1.00 0.00 H new ATOM 0 HA SER A 33 9.777 6.440 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.312 6.773 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.972 6.807 4.305 1.00 0.00 H new ATOM 0 HG SER A 33 7.674 8.639 2.519 1.00 0.00 H new ATOM 534 N LEU A 34 7.517 4.126 2.466 1.00 0.00 N ATOM 535 CA LEU A 34 7.261 2.707 2.723 1.00 0.00 C ATOM 536 C LEU A 34 8.146 1.842 1.833 1.00 0.00 C ATOM 537 O LEU A 34 8.859 0.970 2.312 1.00 0.00 O ATOM 538 CB LEU A 34 5.786 2.460 2.390 1.00 0.00 C ATOM 539 CG LEU A 34 4.941 2.321 3.654 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.625 3.084 3.505 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.624 0.856 3.862 1.00 0.00 C ATOM 0 H LEU A 34 6.689 4.642 2.169 1.00 0.00 H new ATOM 0 HA LEU A 34 7.481 2.452 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.406 3.284 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.694 1.555 1.789 1.00 0.00 H new ATOM 0 HG LEU A 34 5.496 2.727 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.036 2.974 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.834 4.140 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.066 2.683 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.020 0.739 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.071 0.478 3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.552 0.295 3.972 1.00 0.00 H new ATOM 553 N ARG A 35 8.098 2.107 0.544 1.00 0.00 N ATOM 554 CA ARG A 35 8.920 1.352 -0.423 1.00 0.00 C ATOM 555 C ARG A 35 10.408 1.571 -0.142 1.00 0.00 C ATOM 556 O ARG A 35 11.195 0.623 -0.136 1.00 0.00 O ATOM 557 CB ARG A 35 8.644 1.790 -1.871 1.00 0.00 C ATOM 558 CG ARG A 35 7.457 2.741 -1.925 1.00 0.00 C ATOM 559 CD ARG A 35 7.198 3.201 -3.348 1.00 0.00 C ATOM 560 NE ARG A 35 6.822 2.093 -4.192 1.00 0.00 N ATOM 561 CZ ARG A 35 5.977 2.301 -5.168 1.00 0.00 C ATOM 562 NH1 ARG A 35 4.873 2.948 -4.907 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.246 1.879 -6.369 1.00 0.00 N ATOM 0 H ARG A 35 7.510 2.829 0.129 1.00 0.00 H new ATOM 0 HA ARG A 35 8.655 0.301 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.527 2.278 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.445 0.915 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.570 2.245 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.648 3.605 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.407 3.951 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.092 3.679 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 35 7.209 1.163 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.687 3.278 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.197 3.124 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.119 1.384 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.584 2.043 -7.127 1.00 0.00 H new ATOM 577 N ASP A 36 10.770 2.836 0.091 1.00 0.00 N ATOM 578 CA ASP A 36 12.153 3.208 0.377 1.00 0.00 C ATOM 579 C ASP A 36 12.633 2.505 1.634 1.00 0.00 C ATOM 580 O ASP A 36 13.800 2.126 1.748 1.00 0.00 O ATOM 581 CB ASP A 36 12.252 4.719 0.557 1.00 0.00 C ATOM 582 CG ASP A 36 13.713 5.143 0.711 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.366 5.330 -0.302 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.156 5.272 1.841 1.00 0.00 O ATOM 0 H ASP A 36 10.119 3.621 0.086 1.00 0.00 H new ATOM 0 HA ASP A 36 12.783 2.904 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.809 5.224 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.683 5.025 1.435 1.00 0.00 H new ATOM 589 N ASP A 37 11.704 2.331 2.564 1.00 0.00 N ATOM 590 CA ASP A 37 11.992 1.665 3.822 1.00 0.00 C ATOM 591 C ASP A 37 10.735 0.986 4.344 1.00 0.00 C ATOM 592 O ASP A 37 9.930 1.591 5.058 1.00 0.00 O ATOM 593 CB ASP A 37 12.540 2.665 4.853 1.00 0.00 C ATOM 594 CG ASP A 37 13.219 1.932 6.020 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.718 0.892 6.431 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.226 2.429 6.495 1.00 0.00 O ATOM 0 H ASP A 37 10.738 2.645 2.467 1.00 0.00 H new ATOM 0 HA ASP A 37 12.757 0.907 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.255 3.333 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.728 3.285 5.231 1.00 0.00 H new ATOM 601 N PRO A 38 10.551 -0.259 3.985 1.00 0.00 N ATOM 602 CA PRO A 38 9.367 -1.041 4.407 1.00 0.00 C ATOM 603 C PRO A 38 9.376 -1.360 5.890 1.00 0.00 C ATOM 604 O PRO A 38 8.326 -1.441 6.521 1.00 0.00 O ATOM 605 CB PRO A 38 9.416 -2.307 3.565 1.00 0.00 C ATOM 606 CG PRO A 38 10.610 -2.220 2.670 1.00 0.00 C ATOM 607 CD PRO A 38 11.460 -1.052 3.142 1.00 0.00 C ATOM 0 HA PRO A 38 8.447 -0.476 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.482 -3.187 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.505 -2.408 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.182 -3.147 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.302 -2.074 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.328 -1.394 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.835 -0.468 2.302 1.00 0.00 H new ATOM 615 N SER A 39 10.567 -1.510 6.447 1.00 0.00 N ATOM 616 CA SER A 39 10.695 -1.776 7.871 1.00 0.00 C ATOM 617 C SER A 39 10.142 -0.571 8.627 1.00 0.00 C ATOM 618 O SER A 39 9.609 -0.690 9.731 1.00 0.00 O ATOM 619 CB SER A 39 12.163 -2.004 8.244 1.00 0.00 C ATOM 620 OG SER A 39 12.708 -3.013 7.406 1.00 0.00 O ATOM 0 H SER A 39 11.451 -1.453 5.941 1.00 0.00 H new ATOM 0 HA SER A 39 10.140 -2.676 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.727 -1.078 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.243 -2.301 9.290 1.00 0.00 H new ATOM 0 HG SER A 39 13.648 -3.161 7.641 1.00 0.00 H new ATOM 626 N GLN A 40 10.281 0.592 7.983 1.00 0.00 N ATOM 627 CA GLN A 40 9.812 1.859 8.526 1.00 0.00 C ATOM 628 C GLN A 40 8.322 2.074 8.221 1.00 0.00 C ATOM 629 O GLN A 40 7.751 3.075 8.612 1.00 0.00 O ATOM 630 CB GLN A 40 10.643 2.996 7.906 1.00 0.00 C ATOM 631 CG GLN A 40 10.499 4.298 8.711 1.00 0.00 C ATOM 632 CD GLN A 40 11.380 5.401 8.118 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.256 6.562 8.508 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.267 5.115 7.201 1.00 0.00 N ATOM 0 H GLN A 40 10.724 0.675 7.068 1.00 0.00 H new ATOM 0 HA GLN A 40 9.932 1.849 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.692 2.703 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.322 3.164 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.457 4.618 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.778 4.122 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.372 4.154 6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.854 5.853 6.811 1.00 0.00 H new ATOM 643 N SER A 41 7.699 1.136 7.511 1.00 0.00 N ATOM 644 CA SER A 41 6.286 1.267 7.140 1.00 0.00 C ATOM 645 C SER A 41 5.406 1.622 8.341 1.00 0.00 C ATOM 646 O SER A 41 4.469 2.413 8.220 1.00 0.00 O ATOM 647 CB SER A 41 5.806 -0.068 6.575 1.00 0.00 C ATOM 648 OG SER A 41 5.845 -1.061 7.595 1.00 0.00 O ATOM 0 H SER A 41 8.145 0.280 7.181 1.00 0.00 H new ATOM 0 HA SER A 41 6.205 2.070 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.791 0.032 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.436 -0.368 5.738 1.00 0.00 H new ATOM 0 HG SER A 41 6.708 -1.525 7.567 1.00 0.00 H new ATOM 654 N ALA A 42 5.732 1.053 9.495 1.00 0.00 N ATOM 655 CA ALA A 42 4.993 1.317 10.723 1.00 0.00 C ATOM 656 C ALA A 42 5.169 2.765 11.136 1.00 0.00 C ATOM 657 O ALA A 42 4.248 3.411 11.635 1.00 0.00 O ATOM 658 CB ALA A 42 5.553 0.440 11.831 1.00 0.00 C ATOM 0 H ALA A 42 6.509 0.401 9.606 1.00 0.00 H new ATOM 0 HA ALA A 42 3.937 1.107 10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.007 0.629 12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.446 -0.609 11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.608 0.670 11.979 1.00 0.00 H new ATOM 664 N ASN A 43 6.382 3.244 10.920 1.00 0.00 N ATOM 665 CA ASN A 43 6.762 4.598 11.252 1.00 0.00 C ATOM 666 C ASN A 43 6.058 5.600 10.348 1.00 0.00 C ATOM 667 O ASN A 43 5.713 6.698 10.758 1.00 0.00 O ATOM 668 CB ASN A 43 8.272 4.714 11.078 1.00 0.00 C ATOM 669 CG ASN A 43 8.981 4.548 12.420 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.833 5.384 13.311 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.747 3.511 12.617 1.00 0.00 N ATOM 0 H ASN A 43 7.135 2.695 10.505 1.00 0.00 H new ATOM 0 HA ASN A 43 6.472 4.820 12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.622 3.955 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.521 5.684 10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.224 3.392 13.510 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.869 2.819 11.878 1.00 0.00 H new ATOM 678 N LEU A 44 5.871 5.190 9.111 1.00 0.00 N ATOM 679 CA LEU A 44 5.225 5.997 8.087 1.00 0.00 C ATOM 680 C LEU A 44 3.761 6.037 8.362 1.00 0.00 C ATOM 681 O LEU A 44 3.100 7.063 8.230 1.00 0.00 O ATOM 682 CB LEU A 44 5.561 5.354 6.753 1.00 0.00 C ATOM 683 CG LEU A 44 7.086 5.284 6.715 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.574 4.356 5.627 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.618 6.687 6.543 1.00 0.00 C ATOM 0 H LEU A 44 6.167 4.272 8.779 1.00 0.00 H new ATOM 0 HA LEU A 44 5.570 7.031 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.119 4.361 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.173 5.944 5.923 1.00 0.00 H new ATOM 0 HG LEU A 44 7.460 4.867 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.664 4.332 5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.188 3.352 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.222 4.713 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.707 6.662 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.239 7.108 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.292 7.305 7.380 1.00 0.00 H new ATOM 697 N LEU A 45 3.305 4.910 8.837 1.00 0.00 N ATOM 698 CA LEU A 45 1.937 4.769 9.270 1.00 0.00 C ATOM 699 C LEU A 45 1.765 5.662 10.492 1.00 0.00 C ATOM 700 O LEU A 45 0.743 6.313 10.677 1.00 0.00 O ATOM 701 CB LEU A 45 1.656 3.302 9.612 1.00 0.00 C ATOM 702 CG LEU A 45 0.383 3.178 10.454 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.809 3.784 9.701 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.131 1.699 10.742 1.00 0.00 C ATOM 0 H LEU A 45 3.867 4.065 8.936 1.00 0.00 H new ATOM 0 HA LEU A 45 1.235 5.063 8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.549 2.723 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.501 2.882 10.157 1.00 0.00 H new ATOM 0 HG LEU A 45 0.504 3.720 11.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.709 3.690 10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.615 4.838 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.951 3.255 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.773 1.594 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.008 1.161 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.979 1.285 11.288 1.00 0.00 H new ATOM 716 N ALA A 46 2.815 5.696 11.301 1.00 0.00 N ATOM 717 CA ALA A 46 2.842 6.518 12.498 1.00 0.00 C ATOM 718 C ALA A 46 2.801 7.980 12.112 1.00 0.00 C ATOM 719 O ALA A 46 2.031 8.770 12.657 1.00 0.00 O ATOM 720 CB ALA A 46 4.134 6.268 13.268 1.00 0.00 C ATOM 0 H ALA A 46 3.667 5.157 11.145 1.00 0.00 H new ATOM 0 HA ALA A 46 1.980 6.264 13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.149 6.887 14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.191 5.217 13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.987 6.521 12.639 1.00 0.00 H new ATOM 726 N GLU A 47 3.632 8.304 11.134 1.00 0.00 N ATOM 727 CA GLU A 47 3.726 9.636 10.606 1.00 0.00 C ATOM 728 C GLU A 47 2.400 10.025 10.014 1.00 0.00 C ATOM 729 O GLU A 47 1.949 11.149 10.153 1.00 0.00 O ATOM 730 CB GLU A 47 4.758 9.643 9.490 1.00 0.00 C ATOM 731 CG GLU A 47 6.189 9.731 10.018 1.00 0.00 C ATOM 732 CD GLU A 47 6.374 10.931 10.955 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.907 12.009 10.620 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.990 10.752 11.992 1.00 0.00 O ATOM 0 H GLU A 47 4.261 7.637 10.687 1.00 0.00 H new ATOM 0 HA GLU A 47 4.006 10.329 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.649 8.737 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.566 10.487 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.438 8.812 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.882 9.813 9.180 1.00 0.00 H new ATOM 741 N ALA A 48 1.790 9.061 9.353 1.00 0.00 N ATOM 742 CA ALA A 48 0.521 9.260 8.729 1.00 0.00 C ATOM 743 C ALA A 48 -0.531 9.506 9.788 1.00 0.00 C ATOM 744 O ALA A 48 -1.299 10.454 9.689 1.00 0.00 O ATOM 745 CB ALA A 48 0.210 8.025 7.917 1.00 0.00 C ATOM 0 H ALA A 48 2.170 8.121 9.240 1.00 0.00 H new ATOM 0 HA ALA A 48 0.535 10.130 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.756 8.146 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.984 7.880 7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.177 7.156 8.574 1.00 0.00 H new ATOM 751 N LYS A 49 -0.521 8.677 10.834 1.00 0.00 N ATOM 752 CA LYS A 49 -1.448 8.856 11.938 1.00 0.00 C ATOM 753 C LYS A 49 -1.219 10.224 12.556 1.00 0.00 C ATOM 754 O LYS A 49 -2.144 10.864 13.048 1.00 0.00 O ATOM 755 CB LYS A 49 -1.275 7.754 12.987 1.00 0.00 C ATOM 756 CG LYS A 49 -1.887 6.456 12.452 1.00 0.00 C ATOM 757 CD LYS A 49 -1.814 5.360 13.518 1.00 0.00 C ATOM 758 CE LYS A 49 -2.374 4.059 12.940 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.728 3.131 14.050 1.00 0.00 N ATOM 0 H LYS A 49 0.114 7.885 10.934 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.469 8.790 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.218 7.608 13.209 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.760 8.042 13.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.925 6.626 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.356 6.137 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.782 5.215 13.838 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.383 5.655 14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.255 4.268 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.638 3.594 12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.109 2.247 13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.878 2.922 14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.445 3.575 14.659 1.00 0.00 H new ATOM 773 N LYS A 50 0.029 10.679 12.498 1.00 0.00 N ATOM 774 CA LYS A 50 0.366 11.980 13.018 1.00 0.00 C ATOM 775 C LYS A 50 -0.103 13.070 12.074 1.00 0.00 C ATOM 776 O LYS A 50 -0.607 14.106 12.507 1.00 0.00 O ATOM 777 CB LYS A 50 1.874 12.072 13.279 1.00 0.00 C ATOM 778 CG LYS A 50 2.210 11.337 14.586 1.00 0.00 C ATOM 779 CD LYS A 50 3.665 11.611 14.987 1.00 0.00 C ATOM 780 CE LYS A 50 4.622 10.936 13.999 1.00 0.00 C ATOM 781 NZ LYS A 50 5.978 10.839 14.609 1.00 0.00 N ATOM 0 H LYS A 50 0.812 10.163 12.097 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.148 12.125 13.968 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.426 11.631 12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.180 13.116 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.538 11.665 15.379 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.055 10.265 14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.849 12.685 15.006 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.849 11.238 15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.255 9.942 13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.668 11.508 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.693 10.775 13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.159 11.684 15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.029 9.991 15.208 1.00 0.00 H new ATOM 795 N LEU A 51 0.065 12.822 10.782 1.00 0.00 N ATOM 796 CA LEU A 51 -0.342 13.778 9.769 1.00 0.00 C ATOM 797 C LEU A 51 -1.854 13.859 9.683 1.00 0.00 C ATOM 798 O LEU A 51 -2.420 14.947 9.584 1.00 0.00 O ATOM 799 CB LEU A 51 0.236 13.404 8.397 1.00 0.00 C ATOM 800 CG LEU A 51 1.554 14.146 8.134 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.366 15.660 8.316 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.648 13.633 9.082 1.00 0.00 C ATOM 0 H LEU A 51 0.480 11.966 10.414 1.00 0.00 H new ATOM 0 HA LEU A 51 0.049 14.753 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.405 12.328 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.485 13.648 7.616 1.00 0.00 H new ATOM 0 HG LEU A 51 1.859 13.955 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.311 16.169 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.612 16.020 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.042 15.866 9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.578 14.166 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.343 13.802 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.800 12.566 8.919 1.00 0.00 H new ATOM 814 N ASN A 52 -2.502 12.697 9.729 1.00 0.00 N ATOM 815 CA ASN A 52 -3.947 12.640 9.664 1.00 0.00 C ATOM 816 C ASN A 52 -4.510 13.330 10.888 1.00 0.00 C ATOM 817 O ASN A 52 -5.432 14.129 10.788 1.00 0.00 O ATOM 818 CB ASN A 52 -4.433 11.183 9.570 1.00 0.00 C ATOM 819 CG ASN A 52 -4.933 10.658 10.916 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.154 10.210 11.739 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.197 10.687 11.187 1.00 0.00 N ATOM 0 H ASN A 52 -2.044 11.789 9.811 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.298 13.151 8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.234 11.115 8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.619 10.551 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.535 10.337 12.084 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.857 11.060 10.504 1.00 0.00 H new ATOM 828 N ASP A 53 -3.921 13.023 12.046 1.00 0.00 N ATOM 829 CA ASP A 53 -4.360 13.633 13.285 1.00 0.00 C ATOM 830 C ASP A 53 -4.112 15.137 13.238 1.00 0.00 C ATOM 831 O ASP A 53 -4.957 15.931 13.654 1.00 0.00 O ATOM 832 CB ASP A 53 -3.636 13.012 14.482 1.00 0.00 C ATOM 833 CG ASP A 53 -3.991 13.761 15.768 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.146 13.720 16.160 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.103 14.374 16.338 1.00 0.00 O ATOM 0 H ASP A 53 -3.149 12.363 12.143 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.428 13.451 13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.912 11.962 14.577 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.559 13.045 14.320 1.00 0.00 H new ATOM 840 N ALA A 54 -2.951 15.513 12.705 1.00 0.00 N ATOM 841 CA ALA A 54 -2.592 16.915 12.576 1.00 0.00 C ATOM 842 C ALA A 54 -3.587 17.613 11.656 1.00 0.00 C ATOM 843 O ALA A 54 -3.982 18.754 11.900 1.00 0.00 O ATOM 844 CB ALA A 54 -1.179 17.033 12.000 1.00 0.00 C ATOM 0 H ALA A 54 -2.246 14.863 12.357 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.618 17.388 13.557 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.912 18.085 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.472 16.538 12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.145 16.559 11.019 1.00 0.00 H new ATOM 850 N GLN A 55 -3.998 16.896 10.608 1.00 0.00 N ATOM 851 CA GLN A 55 -4.964 17.418 9.647 1.00 0.00 C ATOM 852 C GLN A 55 -6.396 17.174 10.127 1.00 0.00 C ATOM 853 O GLN A 55 -7.353 17.660 9.521 1.00 0.00 O ATOM 854 CB GLN A 55 -4.734 16.740 8.297 1.00 0.00 C ATOM 855 CG GLN A 55 -3.456 17.298 7.660 1.00 0.00 C ATOM 856 CD GLN A 55 -3.033 16.422 6.490 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.076 16.848 5.336 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.626 15.210 6.724 1.00 0.00 N ATOM 0 H GLN A 55 -3.674 15.950 10.405 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.826 18.495 9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.647 15.662 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.587 16.913 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.626 18.319 7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.658 17.339 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.591 14.860 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.341 14.609 5.950 1.00 0.00 H new ATOM 867 N ALA A 56 -6.531 16.424 11.223 1.00 0.00 N ATOM 868 CA ALA A 56 -7.844 16.120 11.787 1.00 0.00 C ATOM 869 C ALA A 56 -8.315 17.269 12.669 1.00 0.00 C ATOM 870 O ALA A 56 -7.534 17.800 13.459 1.00 0.00 O ATOM 871 CB ALA A 56 -7.789 14.826 12.614 1.00 0.00 C ATOM 0 H ALA A 56 -5.748 16.018 11.735 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.547 15.985 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.776 14.615 13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.478 13.999 11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.074 14.944 13.428 1.00 0.00 H new ATOM 877 N PRO A 57 -9.565 17.668 12.537 1.00 0.00 N ATOM 878 CA PRO A 57 -10.164 18.775 13.317 1.00 0.00 C ATOM 879 C PRO A 57 -9.798 18.726 14.790 1.00 0.00 C ATOM 880 O PRO A 57 -9.800 17.669 15.427 1.00 0.00 O ATOM 881 CB PRO A 57 -11.673 18.583 13.153 1.00 0.00 C ATOM 882 CG PRO A 57 -11.858 17.356 12.348 1.00 0.00 C ATOM 883 CD PRO A 57 -10.561 17.138 11.610 1.00 0.00 C ATOM 0 HA PRO A 57 -9.801 19.739 12.959 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.159 18.486 14.124 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.121 19.443 12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.091 16.503 12.986 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.688 17.469 11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.391 16.083 11.394 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.546 17.665 10.656 1.00 0.00 H new ATOM 891 N LYS A 58 -9.499 19.898 15.291 1.00 0.00 N ATOM 892 CA LYS A 58 -9.121 20.095 16.692 1.00 0.00 C ATOM 893 C LYS A 58 -9.625 21.447 17.202 1.00 0.00 C ATOM 894 O LYS A 58 -10.121 21.491 18.316 1.00 0.00 O ATOM 895 CB LYS A 58 -7.603 20.025 16.837 1.00 0.00 C ATOM 896 CG LYS A 58 -7.129 18.573 16.696 1.00 0.00 C ATOM 897 CD LYS A 58 -5.603 18.519 16.799 1.00 0.00 C ATOM 898 CE LYS A 58 -5.120 17.074 16.616 1.00 0.00 C ATOM 899 NZ LYS A 58 -3.826 17.072 15.880 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.507 22.419 16.472 1.00 0.00 O ATOM 0 H LYS A 58 -9.507 20.758 14.743 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.579 19.304 17.286 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.128 20.647 16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.303 20.421 17.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.578 17.956 17.474 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.454 18.165 15.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.155 19.161 16.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.281 18.900 17.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.999 16.594 17.587 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.864 16.498 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.267 16.242 16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.009 17.035 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.297 17.938 16.106 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -18.329 -3.800 3.156 1.00 0.00 N ATOM 916 CA VAL B 1 -17.065 -4.326 3.752 1.00 0.00 C ATOM 917 C VAL B 1 -16.168 -4.872 2.642 1.00 0.00 C ATOM 918 O VAL B 1 -16.500 -4.772 1.458 1.00 0.00 O ATOM 919 CB VAL B 1 -17.391 -5.439 4.770 1.00 0.00 C ATOM 920 CG1 VAL B 1 -18.378 -4.913 5.823 1.00 0.00 C ATOM 921 CG2 VAL B 1 -18.008 -6.650 4.051 1.00 0.00 C ATOM 0 H1 VAL B 1 -18.518 -2.848 3.528 1.00 0.00 H new ATOM 0 H2 VAL B 1 -18.232 -3.754 2.122 1.00 0.00 H new ATOM 0 H3 VAL B 1 -19.118 -4.431 3.402 1.00 0.00 H new ATOM 0 HA VAL B 1 -16.543 -3.521 4.269 1.00 0.00 H new ATOM 0 HB VAL B 1 -16.467 -5.745 5.260 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.603 -5.704 6.538 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -17.934 -4.066 6.347 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -19.298 -4.595 5.333 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -18.234 -7.429 4.779 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -18.926 -6.346 3.548 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -17.302 -7.035 3.315 1.00 0.00 H new ATOM 933 N ASP B 2 -15.036 -5.455 3.040 1.00 0.00 N ATOM 934 CA ASP B 2 -14.089 -6.027 2.086 1.00 0.00 C ATOM 935 C ASP B 2 -14.176 -7.552 2.086 1.00 0.00 C ATOM 936 O ASP B 2 -14.631 -8.160 3.058 1.00 0.00 O ATOM 937 CB ASP B 2 -12.662 -5.591 2.443 1.00 0.00 C ATOM 938 CG ASP B 2 -12.560 -4.064 2.431 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.779 -3.482 1.380 1.00 0.00 O ATOM 940 OD2 ASP B 2 -12.262 -3.500 3.470 1.00 0.00 O ATOM 0 H ASP B 2 -14.754 -5.543 4.016 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.342 -5.664 1.090 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -12.392 -5.974 3.427 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -11.955 -6.016 1.731 1.00 0.00 H new ATOM 945 N ASN B 3 -13.731 -8.158 0.983 1.00 0.00 N ATOM 946 CA ASN B 3 -13.747 -9.609 0.834 1.00 0.00 C ATOM 947 C ASN B 3 -12.851 -10.267 1.885 1.00 0.00 C ATOM 948 O ASN B 3 -12.034 -9.597 2.524 1.00 0.00 O ATOM 949 CB ASN B 3 -13.259 -9.981 -0.575 1.00 0.00 C ATOM 950 CG ASN B 3 -13.506 -11.460 -0.860 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.632 -11.940 -0.736 1.00 0.00 O ATOM 952 ND2 ASN B 3 -12.514 -12.217 -1.238 1.00 0.00 N ATOM 0 H ASN B 3 -13.354 -7.660 0.177 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.766 -9.969 0.976 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.776 -9.372 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.195 -9.761 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -12.672 -13.206 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -11.580 -11.820 -1.341 1.00 0.00 H new ATOM 959 N LYS B 4 -13.002 -11.586 2.052 1.00 0.00 N ATOM 960 CA LYS B 4 -12.194 -12.327 3.024 1.00 0.00 C ATOM 961 C LYS B 4 -10.707 -12.241 2.674 1.00 0.00 C ATOM 962 O LYS B 4 -9.847 -12.608 3.478 1.00 0.00 O ATOM 963 CB LYS B 4 -12.657 -13.790 3.111 1.00 0.00 C ATOM 964 CG LYS B 4 -12.707 -14.426 1.713 1.00 0.00 C ATOM 965 CD LYS B 4 -11.956 -15.767 1.715 1.00 0.00 C ATOM 966 CE LYS B 4 -10.466 -15.560 2.039 1.00 0.00 C ATOM 967 NZ LYS B 4 -9.654 -16.596 1.340 1.00 0.00 N ATOM 0 H LYS B 4 -13.669 -12.156 1.532 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.334 -11.870 4.004 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.977 -14.355 3.749 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.643 -13.838 3.574 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.743 -14.581 1.413 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.261 -13.752 0.982 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.402 -16.438 2.449 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.058 -16.247 0.742 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.150 -14.564 1.727 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.305 -15.623 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -8.683 -16.586 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.076 -17.533 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -9.635 -16.392 0.320 1.00 0.00 H new ATOM 981 N PHE B 5 -10.421 -11.733 1.475 1.00 0.00 N ATOM 982 CA PHE B 5 -9.059 -11.567 1.009 1.00 0.00 C ATOM 983 C PHE B 5 -8.400 -10.351 1.647 1.00 0.00 C ATOM 984 O PHE B 5 -7.389 -9.885 1.158 1.00 0.00 O ATOM 985 CB PHE B 5 -9.049 -11.427 -0.522 1.00 0.00 C ATOM 986 CG PHE B 5 -8.981 -12.799 -1.140 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.926 -13.761 -0.781 1.00 0.00 C ATOM 988 CD2 PHE B 5 -7.975 -13.109 -2.059 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.867 -15.039 -1.340 1.00 0.00 C ATOM 990 CE2 PHE B 5 -7.915 -14.386 -2.621 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.861 -15.353 -2.261 1.00 0.00 C ATOM 0 H PHE B 5 -11.129 -11.428 0.807 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.489 -12.449 1.300 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.946 -10.907 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.195 -10.828 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.703 -13.517 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.245 -12.362 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.597 -15.785 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.139 -14.627 -3.333 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.815 -16.341 -2.694 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.965 -9.843 2.745 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.367 -8.686 3.420 1.00 0.00 C ATOM 1003 C ASN B 6 -6.932 -9.021 3.805 1.00 0.00 C ATOM 1004 O ASN B 6 -6.020 -8.243 3.539 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.176 -8.309 4.667 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.744 -6.931 5.170 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.551 -6.004 5.216 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.506 -6.738 5.536 1.00 0.00 N ATOM 0 H ASN B 6 -9.815 -10.203 3.178 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.375 -7.832 2.742 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.240 -8.303 4.433 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.026 -9.054 5.448 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.208 -5.818 5.860 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.837 -7.507 5.498 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.738 -10.206 4.386 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.399 -10.658 4.754 1.00 0.00 C ATOM 1017 C LYS B 7 -4.547 -10.765 3.492 1.00 0.00 C ATOM 1018 O LYS B 7 -3.392 -10.335 3.464 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.486 -12.023 5.452 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.085 -12.493 5.875 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.185 -13.832 6.623 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.584 -14.950 5.650 1.00 0.00 C ATOM 1023 NZ LYS B 7 -4.361 -16.274 6.298 1.00 0.00 N ATOM 0 H LYS B 7 -7.485 -10.864 4.610 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.943 -9.944 5.440 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.133 -11.952 6.326 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.936 -12.755 4.781 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.449 -12.604 4.997 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.618 -11.744 6.514 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.229 -14.069 7.090 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.921 -13.756 7.424 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -5.631 -14.844 5.366 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.997 -14.877 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -4.631 -17.033 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.356 -16.374 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -4.940 -16.341 7.159 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.156 -11.328 2.449 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.499 -11.493 1.155 1.00 0.00 C ATOM 1039 C GLU B 8 -4.221 -10.134 0.512 1.00 0.00 C ATOM 1040 O GLU B 8 -3.225 -9.957 -0.195 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.409 -12.320 0.221 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.411 -13.799 0.646 1.00 0.00 C ATOM 1043 CD GLU B 8 -6.650 -14.116 1.483 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -6.697 -13.698 2.629 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -7.538 -14.773 0.965 1.00 0.00 O ATOM 0 H GLU B 8 -6.113 -11.680 2.477 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.551 -12.009 1.309 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.425 -11.925 0.249 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.061 -12.231 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.389 -14.437 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.511 -14.019 1.220 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.123 -9.189 0.763 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.021 -7.850 0.224 1.00 0.00 C ATOM 1054 C ARG B 9 -3.837 -7.118 0.837 1.00 0.00 C ATOM 1055 O ARG B 9 -3.116 -6.406 0.149 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.321 -7.084 0.508 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.162 -5.606 0.131 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.528 -4.919 0.144 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.103 -4.956 1.488 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.193 -4.260 1.796 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.991 -3.834 0.856 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.463 -4.002 3.043 1.00 0.00 N ATOM 0 H ARG B 9 -5.945 -9.338 1.348 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.865 -7.911 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.142 -7.524 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.579 -7.171 1.563 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.490 -5.112 0.833 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.711 -5.520 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.426 -3.885 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.198 -5.414 -0.559 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.658 -5.529 2.205 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.780 -4.034 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.826 -3.300 1.099 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.839 -4.333 3.779 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.298 -3.468 3.284 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.652 -7.304 2.144 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.562 -6.648 2.859 1.00 0.00 C ATOM 1078 C VAL B 10 -1.225 -7.030 2.235 1.00 0.00 C ATOM 1079 O VAL B 10 -0.342 -6.193 2.084 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.575 -7.057 4.339 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.530 -6.247 5.111 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.984 -6.858 4.943 1.00 0.00 C ATOM 0 H VAL B 10 -4.241 -7.901 2.725 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.698 -5.569 2.787 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.323 -8.114 4.418 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.544 -6.541 6.160 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.541 -6.437 4.694 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.760 -5.185 5.029 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.975 -7.153 5.992 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.269 -5.809 4.863 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.703 -7.472 4.400 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.097 -8.299 1.860 1.00 0.00 N ATOM 1093 CA ILE B 11 0.127 -8.783 1.235 1.00 0.00 C ATOM 1094 C ILE B 11 0.268 -8.197 -0.167 1.00 0.00 C ATOM 1095 O ILE B 11 1.370 -7.834 -0.577 1.00 0.00 O ATOM 1096 CB ILE B 11 0.137 -10.315 1.192 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.141 -10.846 2.618 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.510 -10.803 0.690 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.554 -12.195 2.855 1.00 0.00 C ATOM 0 H ILE B 11 -1.822 -9.007 1.978 1.00 0.00 H new ATOM 0 HA ILE B 11 0.980 -8.457 1.831 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.630 -10.685 0.512 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.207 -10.121 3.353 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.215 -10.957 2.764 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.520 -11.893 0.659 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.693 -10.409 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.290 -10.453 1.366 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.340 -12.542 3.866 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.186 -12.926 2.135 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.631 -12.076 2.733 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.856 -8.087 -0.892 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.836 -7.519 -2.232 1.00 0.00 C ATOM 1113 C ALA B 12 -0.373 -6.101 -2.162 1.00 0.00 C ATOM 1114 O ALA B 12 0.498 -5.715 -2.923 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.229 -7.568 -2.850 1.00 0.00 C ATOM 0 H ALA B 12 -1.777 -8.383 -0.570 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.155 -8.101 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.198 -7.140 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.565 -8.603 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.921 -6.996 -2.232 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.917 -5.354 -1.205 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.512 -3.975 -1.014 1.00 0.00 C ATOM 1123 C ILE B 13 0.981 -3.987 -0.775 1.00 0.00 C ATOM 1124 O ILE B 13 1.723 -3.285 -1.436 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.275 -3.378 0.188 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.763 -3.417 -0.119 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.895 -1.916 0.429 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.583 -3.200 1.142 1.00 0.00 C ATOM 0 H ILE B 13 -1.633 -5.682 -0.557 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.743 -3.358 -1.882 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.021 -3.962 1.073 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.007 -2.649 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.021 -4.378 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.453 -1.531 1.283 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.174 -1.847 0.632 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.135 -1.327 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.644 -3.232 0.896 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.354 -3.984 1.864 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.340 -2.228 1.572 1.00 0.00 H new ATOM 1140 N GLY B 14 1.413 -4.864 0.119 1.00 0.00 N ATOM 1141 CA GLY B 14 2.832 -5.023 0.409 1.00 0.00 C ATOM 1142 C GLY B 14 3.616 -5.340 -0.856 1.00 0.00 C ATOM 1143 O GLY B 14 4.732 -4.857 -1.041 1.00 0.00 O ATOM 0 H GLY B 14 0.801 -5.478 0.657 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.219 -4.110 0.861 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.971 -5.823 1.137 1.00 0.00 H new ATOM 1147 N GLU B 15 3.025 -6.146 -1.732 1.00 0.00 N ATOM 1148 CA GLU B 15 3.681 -6.511 -2.970 1.00 0.00 C ATOM 1149 C GLU B 15 3.783 -5.291 -3.857 1.00 0.00 C ATOM 1150 O GLU B 15 4.838 -5.042 -4.432 1.00 0.00 O ATOM 1151 CB GLU B 15 2.906 -7.624 -3.667 1.00 0.00 C ATOM 1152 CG GLU B 15 3.836 -8.429 -4.595 1.00 0.00 C ATOM 1153 CD GLU B 15 3.601 -9.928 -4.403 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.499 -10.378 -4.666 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.530 -10.605 -3.991 1.00 0.00 O ATOM 0 H GLU B 15 2.099 -6.554 -1.604 1.00 0.00 H new ATOM 0 HA GLU B 15 4.684 -6.880 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.462 -8.286 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.086 -7.198 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.652 -8.154 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.877 -8.186 -4.380 1.00 0.00 H new ATOM 1162 N ILE B 16 2.692 -4.510 -3.949 1.00 0.00 N ATOM 1163 CA ILE B 16 2.747 -3.293 -4.789 1.00 0.00 C ATOM 1164 C ILE B 16 3.882 -2.399 -4.284 1.00 0.00 C ATOM 1165 O ILE B 16 4.724 -1.933 -5.051 1.00 0.00 O ATOM 1166 CB ILE B 16 1.472 -2.402 -4.719 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.166 -3.196 -4.626 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.414 -1.511 -5.962 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.102 -3.934 -5.924 1.00 0.00 C ATOM 0 H ILE B 16 1.803 -4.683 -3.480 1.00 0.00 H new ATOM 0 HA ILE B 16 2.871 -3.655 -5.810 1.00 0.00 H new ATOM 0 HB ILE B 16 1.555 -1.817 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.224 -3.907 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.662 -2.521 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.523 -0.884 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.301 -0.879 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.376 -2.135 -6.855 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.034 -4.493 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.182 -3.217 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.717 -4.624 -6.126 1.00 0.00 H new ATOM 1181 N MET B 17 3.860 -2.169 -2.976 1.00 0.00 N ATOM 1182 CA MET B 17 4.844 -1.330 -2.299 1.00 0.00 C ATOM 1183 C MET B 17 6.266 -1.854 -2.516 1.00 0.00 C ATOM 1184 O MET B 17 7.198 -1.062 -2.657 1.00 0.00 O ATOM 1185 CB MET B 17 4.492 -1.276 -0.820 1.00 0.00 C ATOM 1186 CG MET B 17 3.051 -0.773 -0.663 1.00 0.00 C ATOM 1187 SD MET B 17 2.927 0.905 -1.277 1.00 0.00 S ATOM 1188 CE MET B 17 3.966 1.629 -0.010 1.00 0.00 C ATOM 0 H MET B 17 3.155 -2.561 -2.351 1.00 0.00 H new ATOM 0 HA MET B 17 4.817 -0.324 -2.717 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.596 -2.265 -0.373 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.180 -0.614 -0.294 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.367 -1.422 -1.210 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.755 -0.810 0.385 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.426 2.434 0.487 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.234 0.866 0.721 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.872 2.028 -0.466 1.00 0.00 H new ATOM 1198 N ARG B 18 6.425 -3.182 -2.585 1.00 0.00 N ATOM 1199 CA ARG B 18 7.748 -3.767 -2.836 1.00 0.00 C ATOM 1200 C ARG B 18 8.225 -3.415 -4.241 1.00 0.00 C ATOM 1201 O ARG B 18 9.408 -3.140 -4.444 1.00 0.00 O ATOM 1202 CB ARG B 18 7.737 -5.293 -2.698 1.00 0.00 C ATOM 1203 CG ARG B 18 8.465 -5.716 -1.412 1.00 0.00 C ATOM 1204 CD ARG B 18 7.469 -6.255 -0.391 1.00 0.00 C ATOM 1205 NE ARG B 18 6.681 -7.343 -0.974 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.203 -8.543 -1.202 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.872 -9.154 -0.265 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.036 -9.112 -2.361 1.00 0.00 N ATOM 0 H ARG B 18 5.671 -3.860 -2.473 1.00 0.00 H new ATOM 0 HA ARG B 18 8.423 -3.352 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.709 -5.656 -2.679 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.219 -5.747 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG B 18 9.209 -6.479 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG B 18 9.001 -4.864 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.000 -6.614 0.491 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.807 -5.454 -0.061 1.00 0.00 H new ATOM 0 HE ARG B 18 5.704 -7.175 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.995 -8.711 0.645 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.272 -10.075 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.506 -8.636 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.436 -10.033 -2.539 1.00 0.00 H new ATOM 1222 N LEU B 19 7.298 -3.438 -5.206 1.00 0.00 N ATOM 1223 CA LEU B 19 7.634 -3.132 -6.598 1.00 0.00 C ATOM 1224 C LEU B 19 8.250 -1.739 -6.715 1.00 0.00 C ATOM 1225 O LEU B 19 7.556 -0.732 -6.548 1.00 0.00 O ATOM 1226 CB LEU B 19 6.388 -3.196 -7.489 1.00 0.00 C ATOM 1227 CG LEU B 19 5.744 -4.587 -7.482 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.430 -4.532 -8.254 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.657 -5.595 -8.158 1.00 0.00 C ATOM 0 H LEU B 19 6.316 -3.664 -5.048 1.00 0.00 H new ATOM 0 HA LEU B 19 8.356 -3.879 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.661 -2.459 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.659 -2.928 -8.510 1.00 0.00 H new ATOM 0 HG LEU B 19 5.572 -4.889 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.966 -5.518 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.759 -3.815 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.624 -4.223 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.186 -6.578 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.834 -5.291 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.607 -5.641 -7.625 1.00 0.00 H new ATOM 1241 N PRO B 20 9.536 -1.660 -6.992 1.00 0.00 N ATOM 1242 CA PRO B 20 10.252 -0.367 -7.128 1.00 0.00 C ATOM 1243 C PRO B 20 10.056 0.294 -8.496 1.00 0.00 C ATOM 1244 O PRO B 20 10.380 1.471 -8.664 1.00 0.00 O ATOM 1245 CB PRO B 20 11.730 -0.745 -6.923 1.00 0.00 C ATOM 1246 CG PRO B 20 11.777 -2.219 -6.686 1.00 0.00 C ATOM 1247 CD PRO B 20 10.468 -2.780 -7.206 1.00 0.00 C ATOM 0 HA PRO B 20 9.878 0.366 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.321 -0.476 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.152 -0.205 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.625 -2.668 -7.203 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.899 -2.438 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.535 -3.058 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.163 -3.672 -6.659 1.00 0.00 H new ATOM 1255 N ASN B 21 9.544 -0.463 -9.476 1.00 0.00 N ATOM 1256 CA ASN B 21 9.346 0.081 -10.817 1.00 0.00 C ATOM 1257 C ASN B 21 7.990 0.773 -10.934 1.00 0.00 C ATOM 1258 O ASN B 21 7.803 1.621 -11.809 1.00 0.00 O ATOM 1259 CB ASN B 21 9.472 -1.026 -11.867 1.00 0.00 C ATOM 1260 CG ASN B 21 10.816 -1.743 -11.738 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.824 -1.128 -11.388 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.893 -3.015 -12.010 1.00 0.00 N ATOM 0 H ASN B 21 9.265 -1.438 -9.364 1.00 0.00 H new ATOM 0 HA ASN B 21 10.122 0.825 -10.997 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.659 -1.742 -11.747 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.376 -0.600 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.787 -3.500 -11.933 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.059 -3.526 -12.300 1.00 0.00 H new ATOM 1269 N LEU B 22 7.044 0.419 -10.050 1.00 0.00 N ATOM 1270 CA LEU B 22 5.721 1.041 -10.091 1.00 0.00 C ATOM 1271 C LEU B 22 5.788 2.506 -9.690 1.00 0.00 C ATOM 1272 O LEU B 22 6.560 2.894 -8.813 1.00 0.00 O ATOM 1273 CB LEU B 22 4.731 0.342 -9.140 1.00 0.00 C ATOM 1274 CG LEU B 22 4.505 -1.119 -9.522 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.254 -1.655 -8.815 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.309 -1.222 -11.012 1.00 0.00 C ATOM 0 H LEU B 22 7.170 -0.278 -9.316 1.00 0.00 H new ATOM 0 HA LEU B 22 5.375 0.945 -11.120 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.110 0.395 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.779 0.872 -9.155 1.00 0.00 H new ATOM 0 HG LEU B 22 5.373 -1.705 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.098 -2.698 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.387 -1.582 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.387 -1.067 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.148 -2.264 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.442 -0.631 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.195 -0.846 -11.522 1.00 0.00 H new ATOM 1288 N ASN B 23 4.927 3.297 -10.318 1.00 0.00 N ATOM 1289 CA ASN B 23 4.823 4.714 -10.014 1.00 0.00 C ATOM 1290 C ASN B 23 4.119 4.841 -8.660 1.00 0.00 C ATOM 1291 O ASN B 23 3.367 3.948 -8.272 1.00 0.00 O ATOM 1292 CB ASN B 23 4.039 5.383 -11.180 1.00 0.00 C ATOM 1293 CG ASN B 23 2.987 6.397 -10.740 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.198 7.172 -9.826 1.00 0.00 O ATOM 1295 ND2 ASN B 23 1.850 6.440 -11.377 1.00 0.00 N ATOM 0 H ASN B 23 4.288 2.976 -11.045 1.00 0.00 H new ATOM 0 HA ASN B 23 5.788 5.214 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.750 5.880 -11.840 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.551 4.604 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.141 7.122 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.670 5.792 -12.144 1.00 0.00 H new ATOM 1302 N SER B 24 4.355 5.941 -7.945 1.00 0.00 N ATOM 1303 CA SER B 24 3.721 6.130 -6.640 1.00 0.00 C ATOM 1304 C SER B 24 2.208 6.098 -6.806 1.00 0.00 C ATOM 1305 O SER B 24 1.495 5.433 -6.056 1.00 0.00 O ATOM 1306 CB SER B 24 4.158 7.467 -6.042 1.00 0.00 C ATOM 1307 OG SER B 24 3.637 8.532 -6.830 1.00 0.00 O ATOM 0 H SER B 24 4.968 6.701 -8.239 1.00 0.00 H new ATOM 0 HA SER B 24 4.025 5.329 -5.966 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.802 7.552 -5.015 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.246 7.524 -6.008 1.00 0.00 H new ATOM 0 HG SER B 24 4.357 9.160 -7.048 1.00 0.00 H new ATOM 1313 N LEU B 25 1.750 6.793 -7.839 1.00 0.00 N ATOM 1314 CA LEU B 25 0.345 6.840 -8.185 1.00 0.00 C ATOM 1315 C LEU B 25 -0.117 5.503 -8.746 1.00 0.00 C ATOM 1316 O LEU B 25 -1.255 5.099 -8.523 1.00 0.00 O ATOM 1317 CB LEU B 25 0.081 7.969 -9.197 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.372 9.222 -8.472 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.705 10.326 -9.484 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.602 8.875 -7.645 1.00 0.00 C ATOM 0 H LEU B 25 2.348 7.340 -8.459 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.225 7.044 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 25 0.987 8.176 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.681 7.657 -9.911 1.00 0.00 H new ATOM 0 HG LEU B 25 0.423 9.588 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.029 11.221 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.181 10.556 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.504 9.986 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.946 9.763 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.394 8.516 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.349 8.097 -6.925 1.00 0.00 H new ATOM 1332 N GLN B 26 0.780 4.809 -9.455 1.00 0.00 N ATOM 1333 CA GLN B 26 0.436 3.493 -10.012 1.00 0.00 C ATOM 1334 C GLN B 26 0.165 2.537 -8.868 1.00 0.00 C ATOM 1335 O GLN B 26 -0.762 1.733 -8.904 1.00 0.00 O ATOM 1336 CB GLN B 26 1.595 2.913 -10.825 1.00 0.00 C ATOM 1337 CG GLN B 26 1.366 3.077 -12.334 1.00 0.00 C ATOM 1338 CD GLN B 26 2.569 2.530 -13.089 1.00 0.00 C ATOM 1339 OE1 GLN B 26 2.692 2.733 -14.295 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.467 1.836 -12.447 1.00 0.00 N ATOM 0 H GLN B 26 1.729 5.126 -9.655 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.434 3.616 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.523 3.409 -10.541 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.713 1.856 -10.587 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.462 2.548 -12.636 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.217 4.129 -12.578 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.363 1.669 -11.446 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.274 1.460 -12.946 1.00 0.00 H new ATOM 1349 N VAL B 27 0.997 2.660 -7.849 1.00 0.00 N ATOM 1350 CA VAL B 27 0.892 1.844 -6.661 1.00 0.00 C ATOM 1351 C VAL B 27 -0.413 2.149 -5.973 1.00 0.00 C ATOM 1352 O VAL B 27 -1.160 1.242 -5.616 1.00 0.00 O ATOM 1353 CB VAL B 27 2.131 2.103 -5.799 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.963 1.593 -4.361 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.300 1.380 -6.476 1.00 0.00 C ATOM 0 H VAL B 27 1.765 3.331 -7.826 1.00 0.00 H new ATOM 0 HA VAL B 27 0.874 0.778 -6.886 1.00 0.00 H new ATOM 0 HB VAL B 27 2.303 3.177 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.869 1.802 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.117 2.097 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.783 0.518 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.209 1.536 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.084 0.313 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.439 1.776 -7.482 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.719 3.429 -5.878 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.976 3.859 -5.327 1.00 0.00 C ATOM 1367 C VAL B 28 -3.099 3.316 -6.221 1.00 0.00 C ATOM 1368 O VAL B 28 -4.171 2.973 -5.740 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.021 5.391 -5.263 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.387 5.827 -4.732 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.902 5.908 -4.334 1.00 0.00 C ATOM 0 H VAL B 28 -0.107 4.187 -6.179 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.100 3.479 -4.313 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.868 5.807 -6.259 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.428 6.915 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.169 5.464 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.539 5.413 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.938 6.997 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.043 5.501 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.067 5.592 -4.721 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.825 3.234 -7.529 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.795 2.725 -8.492 1.00 0.00 C ATOM 1383 C ALA B 29 -4.170 1.300 -8.130 1.00 0.00 C ATOM 1384 O ALA B 29 -5.350 0.937 -8.135 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.195 2.745 -9.909 1.00 0.00 C ATOM 0 H ALA B 29 -1.935 3.516 -7.940 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.682 3.359 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.928 2.363 -10.620 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.928 3.767 -10.177 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.303 2.119 -9.935 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.155 0.500 -7.806 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.371 -0.863 -7.435 1.00 0.00 C ATOM 1393 C PHE B 30 -3.997 -0.936 -6.045 1.00 0.00 C ATOM 1394 O PHE B 30 -4.967 -1.658 -5.848 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.033 -1.613 -7.507 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.527 -1.604 -8.949 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.312 -2.134 -10.000 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.282 -1.021 -9.251 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.849 -2.070 -11.312 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.168 -0.972 -10.565 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.614 -1.491 -11.596 1.00 0.00 C ATOM 0 H PHE B 30 -2.177 0.791 -7.799 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.069 -1.339 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.302 -1.141 -6.850 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.158 -2.639 -7.160 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.268 -2.587 -9.785 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.326 -0.610 -8.459 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.451 -2.472 -12.114 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.128 -0.530 -10.788 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.262 -1.444 -12.616 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.474 -0.149 -5.093 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.025 -0.140 -3.732 1.00 0.00 C ATOM 1413 C ILE B 31 -5.504 0.244 -3.775 1.00 0.00 C ATOM 1414 O ILE B 31 -6.354 -0.430 -3.194 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.257 0.867 -2.856 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.786 0.437 -2.715 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.889 0.925 -1.458 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.973 1.596 -2.124 1.00 0.00 C ATOM 0 H ILE B 31 -2.683 0.479 -5.237 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.921 -1.137 -3.304 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.307 1.847 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.712 -0.440 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.383 0.154 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.343 1.639 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.929 1.239 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.844 -0.062 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.070 1.295 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.038 2.460 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.372 1.858 -1.144 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.794 1.317 -4.491 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.157 1.798 -4.646 1.00 0.00 C ATOM 1432 C ASN B 32 -8.042 0.743 -5.310 1.00 0.00 C ATOM 1433 O ASN B 32 -9.246 0.699 -5.060 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.153 3.068 -5.497 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.521 3.736 -5.484 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.281 3.613 -4.522 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.872 4.447 -6.509 1.00 0.00 N ATOM 0 H ASN B 32 -5.095 1.877 -4.979 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.561 2.011 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.402 3.761 -5.119 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.873 2.823 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.782 4.908 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.239 4.545 -7.302 1.00 0.00 H new ATOM 1444 N SER B 33 -7.445 -0.109 -6.154 1.00 0.00 N ATOM 1445 CA SER B 33 -8.196 -1.137 -6.826 1.00 0.00 C ATOM 1446 C SER B 33 -8.491 -2.268 -5.857 1.00 0.00 C ATOM 1447 O SER B 33 -9.526 -2.915 -5.966 1.00 0.00 O ATOM 1448 CB SER B 33 -7.463 -1.599 -8.070 1.00 0.00 C ATOM 1449 OG SER B 33 -7.763 -0.717 -9.144 1.00 0.00 O ATOM 0 H SER B 33 -6.450 -0.094 -6.376 1.00 0.00 H new ATOM 0 HA SER B 33 -9.154 -0.741 -7.162 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.388 -1.617 -7.888 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.760 -2.616 -8.325 1.00 0.00 H new ATOM 0 HG SER B 33 -7.116 0.019 -9.153 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.607 -2.472 -4.865 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.872 -3.492 -3.850 1.00 0.00 C ATOM 1457 C LEU B 34 -9.127 -3.026 -3.124 1.00 0.00 C ATOM 1458 O LEU B 34 -10.045 -3.798 -2.862 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.721 -3.632 -2.841 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.355 -3.503 -3.529 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.242 -3.795 -2.546 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.238 -4.474 -4.677 1.00 0.00 C ATOM 0 H LEU B 34 -6.732 -1.960 -4.749 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.985 -4.469 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.816 -2.867 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.789 -4.598 -2.341 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.270 -2.482 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.279 -3.700 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.292 -3.087 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.352 -4.809 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.262 -4.364 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.348 -5.493 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.020 -4.269 -5.408 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.157 -1.713 -2.867 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.309 -1.059 -2.242 1.00 0.00 C ATOM 1476 C ARG B 35 -11.548 -1.317 -3.095 1.00 0.00 C ATOM 1477 O ARG B 35 -12.608 -1.693 -2.591 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.051 0.461 -2.196 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.045 0.994 -0.756 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.740 1.748 -0.490 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.524 1.892 0.943 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.307 2.673 1.680 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.436 2.215 2.138 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -8.944 3.895 1.946 1.00 0.00 N ATOM 0 H ARG B 35 -8.388 -1.079 -3.085 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.459 -1.449 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.094 0.682 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.819 0.978 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.897 1.656 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.149 0.168 -0.052 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.904 1.212 -0.939 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.777 2.731 -0.960 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.759 1.385 1.388 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.719 1.257 1.931 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.037 2.814 2.704 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.058 4.253 1.589 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.545 4.494 2.512 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.375 -1.106 -4.399 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.438 -1.300 -5.379 1.00 0.00 C ATOM 1500 C ASP B 36 -12.858 -2.769 -5.451 1.00 0.00 C ATOM 1501 O ASP B 36 -14.043 -3.082 -5.585 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.926 -0.835 -6.753 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.607 0.670 -6.751 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.159 1.390 -5.931 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.804 1.082 -7.574 1.00 0.00 O ATOM 0 H ASP B 36 -10.492 -0.795 -4.804 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.310 -0.718 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.032 -1.398 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.676 -1.049 -7.514 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.868 -3.656 -5.362 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.104 -5.097 -5.420 1.00 0.00 C ATOM 1512 C ASP B 37 -11.038 -5.841 -4.630 1.00 0.00 C ATOM 1513 O ASP B 37 -9.988 -6.215 -5.165 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.111 -5.581 -6.880 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.546 -5.764 -7.369 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.074 -6.851 -7.195 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.095 -4.817 -7.908 1.00 0.00 O ATOM 0 H ASP B 37 -10.888 -3.399 -5.249 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.078 -5.304 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.593 -4.860 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.569 -6.523 -6.961 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.298 -6.071 -3.368 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.360 -6.801 -2.482 1.00 0.00 C ATOM 1524 C PRO B 38 -10.270 -8.275 -2.858 1.00 0.00 C ATOM 1525 O PRO B 38 -9.268 -8.937 -2.580 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.924 -6.612 -1.074 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.143 -5.750 -1.186 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.519 -5.664 -2.657 1.00 0.00 C ATOM 0 HA PRO B 38 -9.342 -6.422 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.176 -7.575 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.183 -6.145 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.964 -6.172 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.946 -4.756 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.355 -6.322 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.821 -4.654 -2.932 1.00 0.00 H new ATOM 1536 N SER B 39 -11.319 -8.768 -3.519 1.00 0.00 N ATOM 1537 CA SER B 39 -11.354 -10.151 -3.968 1.00 0.00 C ATOM 1538 C SER B 39 -10.301 -10.340 -5.049 1.00 0.00 C ATOM 1539 O SER B 39 -9.587 -11.345 -5.068 1.00 0.00 O ATOM 1540 CB SER B 39 -12.743 -10.491 -4.512 1.00 0.00 C ATOM 1541 OG SER B 39 -12.775 -11.859 -4.904 1.00 0.00 O ATOM 0 H SER B 39 -12.152 -8.227 -3.752 1.00 0.00 H new ATOM 0 HA SER B 39 -11.143 -10.818 -3.132 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.500 -10.301 -3.751 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.979 -9.852 -5.363 1.00 0.00 H new ATOM 0 HG SER B 39 -13.665 -12.079 -5.252 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.201 -9.340 -5.933 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.226 -9.365 -7.005 1.00 0.00 C ATOM 1549 C GLN B 40 -8.031 -8.504 -6.645 1.00 0.00 C ATOM 1550 O GLN B 40 -7.320 -8.031 -7.526 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.823 -8.897 -8.344 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.354 -9.041 -8.349 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.759 -10.515 -8.297 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.077 -11.374 -8.856 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.844 -10.859 -7.661 1.00 0.00 N ATOM 0 H GLN B 40 -10.789 -8.507 -5.918 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.909 -10.400 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.552 -7.856 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.397 -9.482 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.777 -8.512 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.765 -8.577 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.410 -10.149 -7.197 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.126 -11.839 -7.627 1.00 0.00 H new ATOM 1564 N SER B 41 -7.792 -8.310 -5.342 1.00 0.00 N ATOM 1565 CA SER B 41 -6.654 -7.518 -4.913 1.00 0.00 C ATOM 1566 C SER B 41 -5.384 -8.085 -5.535 1.00 0.00 C ATOM 1567 O SER B 41 -4.439 -7.362 -5.846 1.00 0.00 O ATOM 1568 CB SER B 41 -6.551 -7.572 -3.383 1.00 0.00 C ATOM 1569 OG SER B 41 -5.311 -7.023 -2.956 1.00 0.00 O ATOM 0 H SER B 41 -8.364 -8.686 -4.586 1.00 0.00 H new ATOM 0 HA SER B 41 -6.781 -6.483 -5.231 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.376 -7.018 -2.936 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.638 -8.603 -3.041 1.00 0.00 H new ATOM 0 HG SER B 41 -4.645 -7.738 -2.881 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.413 -9.390 -5.717 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.323 -10.138 -6.318 1.00 0.00 C ATOM 1577 C ALA B 42 -4.251 -9.895 -7.829 1.00 0.00 C ATOM 1578 O ALA B 42 -3.195 -10.052 -8.437 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.566 -11.622 -6.064 1.00 0.00 C ATOM 0 H ALA B 42 -6.207 -9.971 -5.448 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.382 -9.812 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.758 -12.204 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.599 -11.807 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.515 -11.917 -6.513 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.403 -9.556 -8.418 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.529 -9.332 -9.855 1.00 0.00 C ATOM 1587 C ASN B 43 -4.836 -8.070 -10.314 1.00 0.00 C ATOM 1588 O ASN B 43 -4.018 -8.097 -11.229 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.990 -9.214 -10.191 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.205 -9.269 -11.702 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.431 -8.237 -12.335 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.147 -10.415 -12.319 1.00 0.00 N ATOM 0 H ASN B 43 -6.276 -9.430 -7.905 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.057 -10.174 -10.361 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.545 -10.020 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.384 -8.277 -9.797 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.289 -10.459 -13.328 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.960 -11.269 -11.793 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.165 -6.959 -9.673 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.553 -5.714 -10.021 1.00 0.00 C ATOM 1601 C LEU B 44 -3.136 -5.735 -9.474 1.00 0.00 C ATOM 1602 O LEU B 44 -2.229 -5.138 -10.029 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.422 -4.501 -9.616 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.545 -4.274 -8.118 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.445 -5.328 -7.494 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.191 -4.223 -7.437 1.00 0.00 C ATOM 0 H LEU B 44 -5.848 -6.907 -8.917 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.482 -5.589 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.003 -3.604 -10.072 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.421 -4.633 -10.032 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.005 -3.298 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.523 -5.151 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.436 -5.272 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.022 -6.317 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.327 -4.059 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.668 -5.166 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.603 -3.407 -7.857 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.943 -6.512 -8.407 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.619 -6.705 -7.860 1.00 0.00 C ATOM 1620 C LEU B 45 -0.843 -7.405 -8.955 1.00 0.00 C ATOM 1621 O LEU B 45 0.331 -7.142 -9.200 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.688 -7.592 -6.610 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.380 -8.377 -6.425 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.774 -7.400 -6.224 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.497 -9.315 -5.216 1.00 0.00 C ATOM 0 H LEU B 45 -3.685 -7.009 -7.915 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.154 -5.765 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.875 -6.975 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.524 -8.285 -6.696 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.190 -8.978 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.702 -7.956 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.859 -6.753 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.586 -6.792 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.435 -9.867 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.693 -8.729 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.316 -10.016 -5.377 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.571 -8.275 -9.641 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.023 -9.006 -10.761 1.00 0.00 C ATOM 1639 C ALA B 46 -0.625 -7.982 -11.810 1.00 0.00 C ATOM 1640 O ALA B 46 0.470 -8.028 -12.365 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.072 -9.976 -11.327 1.00 0.00 C ATOM 0 H ALA B 46 -2.547 -8.488 -9.435 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.160 -9.598 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.647 -10.520 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.370 -10.682 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.944 -9.414 -11.661 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.526 -7.019 -12.015 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.295 -5.924 -12.937 1.00 0.00 C ATOM 1649 C GLU B 47 -0.089 -5.115 -12.477 1.00 0.00 C ATOM 1650 O GLU B 47 0.643 -4.563 -13.290 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.515 -4.985 -12.983 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.752 -5.688 -13.530 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.488 -6.295 -14.911 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.022 -5.576 -15.782 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.758 -7.474 -15.075 1.00 0.00 O ATOM 0 H GLU B 47 -2.430 -6.983 -11.545 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.121 -6.345 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.723 -4.611 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.284 -4.120 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.061 -6.473 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.576 -4.978 -13.595 1.00 0.00 H new ATOM 1662 N ALA B 48 0.078 -5.034 -11.154 1.00 0.00 N ATOM 1663 CA ALA B 48 1.156 -4.275 -10.551 1.00 0.00 C ATOM 1664 C ALA B 48 2.492 -4.941 -10.752 1.00 0.00 C ATOM 1665 O ALA B 48 3.444 -4.316 -11.185 1.00 0.00 O ATOM 1666 CB ALA B 48 0.897 -4.217 -9.059 1.00 0.00 C ATOM 0 H ALA B 48 -0.533 -5.495 -10.480 1.00 0.00 H new ATOM 0 HA ALA B 48 1.185 -3.289 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.692 -3.651 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.060 -3.729 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.873 -5.229 -8.654 1.00 0.00 H new ATOM 1672 N LYS B 49 2.539 -6.224 -10.455 1.00 0.00 N ATOM 1673 CA LYS B 49 3.756 -6.986 -10.620 1.00 0.00 C ATOM 1674 C LYS B 49 4.128 -6.964 -12.096 1.00 0.00 C ATOM 1675 O LYS B 49 5.300 -6.868 -12.458 1.00 0.00 O ATOM 1676 CB LYS B 49 3.528 -8.397 -10.082 1.00 0.00 C ATOM 1677 CG LYS B 49 3.502 -8.379 -8.551 1.00 0.00 C ATOM 1678 CD LYS B 49 3.418 -9.821 -8.026 1.00 0.00 C ATOM 1679 CE LYS B 49 2.048 -10.429 -8.363 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.501 -11.125 -7.165 1.00 0.00 N ATOM 0 H LYS B 49 1.747 -6.759 -10.098 1.00 0.00 H new ATOM 0 HA LYS B 49 4.588 -6.560 -10.059 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.587 -8.793 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.319 -9.060 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.398 -7.892 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.648 -7.801 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.211 -10.424 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.574 -9.833 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.361 -9.647 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.144 -11.131 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.474 -10.972 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.696 -12.144 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.951 -10.746 -6.308 1.00 0.00 H new ATOM 1694 N LYS B 50 3.090 -6.978 -12.931 1.00 0.00 N ATOM 1695 CA LYS B 50 3.250 -6.884 -14.376 1.00 0.00 C ATOM 1696 C LYS B 50 3.682 -5.481 -14.775 1.00 0.00 C ATOM 1697 O LYS B 50 4.494 -5.316 -15.675 1.00 0.00 O ATOM 1698 CB LYS B 50 1.943 -7.212 -15.084 1.00 0.00 C ATOM 1699 CG LYS B 50 1.713 -8.733 -15.092 1.00 0.00 C ATOM 1700 CD LYS B 50 0.570 -9.090 -16.055 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.763 -8.549 -15.526 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.885 -9.181 -16.273 1.00 0.00 N ATOM 0 H LYS B 50 2.120 -7.055 -12.624 1.00 0.00 H new ATOM 0 HA LYS B 50 4.015 -7.602 -14.672 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.114 -6.714 -14.582 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.970 -6.835 -16.106 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.627 -9.245 -15.394 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.472 -9.077 -14.086 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.773 -8.673 -17.041 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.510 -10.172 -16.173 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.857 -8.760 -14.461 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.800 -7.466 -15.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.782 -8.730 -16.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.734 -9.059 -17.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.925 -10.195 -16.047 1.00 0.00 H new ATOM 1716 N LEU B 51 3.122 -4.474 -14.106 1.00 0.00 N ATOM 1717 CA LEU B 51 3.465 -3.087 -14.411 1.00 0.00 C ATOM 1718 C LEU B 51 4.883 -2.823 -14.001 1.00 0.00 C ATOM 1719 O LEU B 51 5.654 -2.198 -14.728 1.00 0.00 O ATOM 1720 CB LEU B 51 2.527 -2.117 -13.683 1.00 0.00 C ATOM 1721 CG LEU B 51 1.581 -1.463 -14.687 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.389 -0.539 -15.614 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.844 -2.545 -15.503 1.00 0.00 C ATOM 0 H LEU B 51 2.438 -4.590 -13.359 1.00 0.00 H new ATOM 0 HA LEU B 51 3.354 -2.929 -15.484 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.955 -2.650 -12.924 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.108 -1.353 -13.166 1.00 0.00 H new ATOM 0 HG LEU B 51 0.835 -0.871 -14.157 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.719 -0.069 -16.334 1.00 0.00 H new ATOM 0 HD12 LEU B 51 2.882 0.231 -15.021 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.140 -1.123 -16.146 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.172 -2.068 -16.216 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.571 -3.153 -16.041 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.268 -3.179 -14.829 1.00 0.00 H new ATOM 1735 N ASN B 52 5.226 -3.356 -12.849 1.00 0.00 N ATOM 1736 CA ASN B 52 6.576 -3.240 -12.350 1.00 0.00 C ATOM 1737 C ASN B 52 7.475 -3.916 -13.352 1.00 0.00 C ATOM 1738 O ASN B 52 8.552 -3.426 -13.683 1.00 0.00 O ATOM 1739 CB ASN B 52 6.696 -3.912 -10.988 1.00 0.00 C ATOM 1740 CG ASN B 52 8.144 -3.888 -10.511 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.542 -3.014 -9.746 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.958 -4.804 -10.935 1.00 0.00 N ATOM 0 H ASN B 52 4.589 -3.873 -12.242 1.00 0.00 H new ATOM 0 HA ASN B 52 6.856 -2.194 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.060 -3.401 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.344 -4.942 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.932 -4.800 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.624 -5.529 -11.570 1.00 0.00 H new ATOM 1749 N ASP B 53 6.969 -5.034 -13.863 1.00 0.00 N ATOM 1750 CA ASP B 53 7.684 -5.786 -14.883 1.00 0.00 C ATOM 1751 C ASP B 53 7.739 -4.962 -16.170 1.00 0.00 C ATOM 1752 O ASP B 53 8.726 -4.994 -16.907 1.00 0.00 O ATOM 1753 CB ASP B 53 6.989 -7.123 -15.157 1.00 0.00 C ATOM 1754 CG ASP B 53 7.877 -8.005 -16.034 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.735 -8.679 -15.487 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.691 -7.988 -17.240 1.00 0.00 O ATOM 0 H ASP B 53 6.072 -5.436 -13.588 1.00 0.00 H new ATOM 0 HA ASP B 53 8.694 -5.989 -14.528 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.775 -7.630 -14.216 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.033 -6.950 -15.651 1.00 0.00 H new ATOM 1761 N ALA B 54 6.651 -4.228 -16.419 1.00 0.00 N ATOM 1762 CA ALA B 54 6.530 -3.386 -17.602 1.00 0.00 C ATOM 1763 C ALA B 54 7.541 -2.246 -17.557 1.00 0.00 C ATOM 1764 O ALA B 54 8.126 -1.880 -18.579 1.00 0.00 O ATOM 1765 CB ALA B 54 5.109 -2.821 -17.673 1.00 0.00 C ATOM 0 H ALA B 54 5.836 -4.204 -15.807 1.00 0.00 H new ATOM 0 HA ALA B 54 6.733 -3.987 -18.488 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.012 -2.190 -18.556 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.394 -3.641 -17.733 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.908 -2.229 -16.780 1.00 0.00 H new ATOM 1771 N GLN B 55 7.740 -1.695 -16.359 1.00 0.00 N ATOM 1772 CA GLN B 55 8.680 -0.597 -16.163 1.00 0.00 C ATOM 1773 C GLN B 55 10.066 -1.114 -15.779 1.00 0.00 C ATOM 1774 O GLN B 55 11.008 -0.331 -15.635 1.00 0.00 O ATOM 1775 CB GLN B 55 8.151 0.305 -15.067 1.00 0.00 C ATOM 1776 CG GLN B 55 6.842 0.957 -15.508 1.00 0.00 C ATOM 1777 CD GLN B 55 5.977 1.218 -14.288 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.607 2.360 -14.013 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.636 0.213 -13.530 1.00 0.00 N ATOM 0 H GLN B 55 7.260 -1.994 -15.510 1.00 0.00 H new ATOM 0 HA GLN B 55 8.777 -0.046 -17.098 1.00 0.00 H new ATOM 0 HB2 GLN B 55 7.990 -0.272 -14.157 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.887 1.073 -14.831 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.046 1.892 -16.031 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.317 0.308 -16.209 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.946 -0.730 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.059 0.370 -12.703 1.00 0.00 H new ATOM 1788 N ALA B 56 10.181 -2.433 -15.607 1.00 0.00 N ATOM 1789 CA ALA B 56 11.458 -3.044 -15.230 1.00 0.00 C ATOM 1790 C ALA B 56 12.482 -2.909 -16.344 1.00 0.00 C ATOM 1791 O ALA B 56 12.134 -2.611 -17.490 1.00 0.00 O ATOM 1792 CB ALA B 56 11.276 -4.525 -14.902 1.00 0.00 C ATOM 0 H ALA B 56 9.412 -3.094 -15.722 1.00 0.00 H new ATOM 0 HA ALA B 56 11.818 -2.517 -14.347 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.238 -4.957 -14.625 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.578 -4.631 -14.072 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.882 -5.045 -15.775 1.00 0.00 H new ATOM 1798 N PRO B 57 13.738 -3.117 -16.025 1.00 0.00 N ATOM 1799 CA PRO B 57 14.843 -3.012 -17.000 1.00 0.00 C ATOM 1800 C PRO B 57 14.989 -4.285 -17.835 1.00 0.00 C ATOM 1801 O PRO B 57 14.201 -5.224 -17.700 1.00 0.00 O ATOM 1802 CB PRO B 57 16.085 -2.774 -16.120 1.00 0.00 C ATOM 1803 CG PRO B 57 15.610 -2.779 -14.700 1.00 0.00 C ATOM 1804 CD PRO B 57 14.265 -3.477 -14.706 1.00 0.00 C ATOM 0 HA PRO B 57 14.680 -2.217 -17.727 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.830 -3.553 -16.282 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.559 -1.824 -16.367 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.317 -3.301 -14.055 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.519 -1.763 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.365 -4.556 -14.588 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.620 -3.127 -13.900 1.00 0.00 H new ATOM 1812 N LYS B 58 16.004 -4.296 -18.694 1.00 0.00 N ATOM 1813 CA LYS B 58 16.273 -5.445 -19.561 1.00 0.00 C ATOM 1814 C LYS B 58 17.426 -6.281 -19.004 1.00 0.00 C ATOM 1815 O LYS B 58 17.329 -7.497 -19.053 1.00 0.00 O ATOM 1816 CB LYS B 58 16.615 -4.958 -20.973 1.00 0.00 C ATOM 1817 CG LYS B 58 15.382 -5.067 -21.884 1.00 0.00 C ATOM 1818 CD LYS B 58 14.364 -3.973 -21.522 1.00 0.00 C ATOM 1819 CE LYS B 58 13.162 -4.043 -22.470 1.00 0.00 C ATOM 1820 NZ LYS B 58 13.568 -3.576 -23.826 1.00 0.00 N ATOM 1821 OXT LYS B 58 18.391 -5.695 -18.537 1.00 0.00 O ATOM 0 H LYS B 58 16.657 -3.521 -18.810 1.00 0.00 H new ATOM 0 HA LYS B 58 15.381 -6.070 -19.600 1.00 0.00 H new ATOM 0 HB2 LYS B 58 16.959 -3.924 -20.936 1.00 0.00 H new ATOM 0 HB3 LYS B 58 17.433 -5.551 -21.382 1.00 0.00 H new ATOM 0 HG2 LYS B 58 15.680 -4.967 -22.928 1.00 0.00 H new ATOM 0 HG3 LYS B 58 14.925 -6.051 -21.776 1.00 0.00 H new ATOM 0 HD2 LYS B 58 14.033 -4.099 -20.491 1.00 0.00 H new ATOM 0 HD3 LYS B 58 14.833 -2.991 -21.588 1.00 0.00 H new ATOM 0 HE2 LYS B 58 12.787 -5.065 -22.523 1.00 0.00 H new ATOM 0 HE3 LYS B 58 12.349 -3.425 -22.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 12.719 -3.365 -24.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 14.148 -2.717 -23.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 14.120 -4.320 -24.298 1.00 0.00 H new TER 1835 LYS B 58