USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=31 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= -0.491 K(o=-6.4,f=-7.1) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -5.93! C(o=-7.6!,f=-6.4!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.749 F(o=-15!,f=-2.3) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.52 F(o=-3.6!,f=-2.3) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -142:sc= 1.18 (180deg=-0.0522) USER MOD Set 3.2: B 23 ASN : amide:sc= -9.12! C(o=-7.9!,f=-18!) USER MOD Set 3.3: B 24 SER OG : rot -23:sc= 0.0619 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.54 F(o=-16!,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.59! C(o=-11!,f=-20!) USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -0.375 F(o=-8.1!,f=-2.6) USER MOD Set 5.2: A 55 GLN :FLIP amide:sc= -2.19! C(o=-6.4!,f=-2.6!) USER MOD Set 6.1: A 13 THR OG1 : rot 118:sc= -3.08 USER MOD Set 6.2: B 17 MET CE :methyl -128:sc= -12.5! (180deg=-12.6!) USER MOD Set 7.1: A 7 LYS NZ :NH3+ 177:sc= -2.61! (180deg=-2.73!) USER MOD Set 7.2: B 7 LYS NZ :NH3+ -151:sc= 0.0391 (180deg=-0.427) USER MOD Set 8.1: A 1 VAL N :NH3+ 173:sc= -0.849 (180deg=-0.867) USER MOD Set 8.2: A 3 ASN : amide:sc= -0.207 X(o=-1.1,f=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.322 (180deg=-0.545) USER MOD Single : A 6 ASN : amide:sc= -3.26 K(o=-3.3,f=-11!) USER MOD Single : A 18 ASN : amide:sc= -2.51 K(o=-2.5,f=-8.8!) USER MOD Single : A 23 ASN : amide:sc= -0.915 K(o=-0.91,f=-11!) USER MOD Single : A 33 SER OG : rot 75:sc= 0.811 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.372 K(o=-0.37,f=-2) USER MOD Single : A 41 SER OG : rot -90:sc= 0.283 USER MOD Single : A 43 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.0064) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= -1.29 (180deg=-1.35) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.436 (180deg=-0.705) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= -0.46 (180deg=-0.487) USER MOD Single : B 1 VAL N :NH3+ -142:sc= -0.106 (180deg=-0.717) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.147 F(o=-1.9,f=-0.15) USER MOD Single : B 4 LYS NZ :NH3+ -134:sc= 0.00194 (180deg=-2.23!) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.303 F(o=-6.6!,f=-0.3) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 33 SER OG : rot 88:sc= 0.013 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc=-0.00298 F(o=-0.67,f=-0.003) USER MOD Single : B 41 SER OG : rot 131:sc= -1.38 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 158:sc= -1.74 (180deg=-2.87!) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= 1.06 (180deg=1.01) USER MOD Single : B 58 LYS NZ :NH3+ -157:sc= 0.81 (180deg=0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.159 -16.968 2.214 1.00 0.00 N ATOM 2 CA VAL A 1 5.684 -17.026 3.629 1.00 0.00 C ATOM 3 C VAL A 1 4.799 -15.812 3.917 1.00 0.00 C ATOM 4 O VAL A 1 4.463 -15.049 3.008 1.00 0.00 O ATOM 5 CB VAL A 1 6.896 -17.051 4.583 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.702 -18.339 4.369 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.802 -15.835 4.322 1.00 0.00 C ATOM 0 H1 VAL A 1 6.853 -17.724 2.050 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.351 -17.094 1.571 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.604 -16.045 2.035 1.00 0.00 H new ATOM 0 HA VAL A 1 5.100 -17.933 3.785 1.00 0.00 H new ATOM 0 HB VAL A 1 6.532 -17.015 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.556 -18.350 5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.068 -19.203 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.055 -18.380 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.654 -15.864 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.158 -15.861 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.237 -14.918 4.487 1.00 0.00 H new ATOM 19 N ASP A 2 4.426 -15.642 5.187 1.00 0.00 N ATOM 20 CA ASP A 2 3.581 -14.520 5.596 1.00 0.00 C ATOM 21 C ASP A 2 4.237 -13.182 5.258 1.00 0.00 C ATOM 22 O ASP A 2 3.548 -12.236 4.867 1.00 0.00 O ATOM 23 CB ASP A 2 3.307 -14.597 7.102 1.00 0.00 C ATOM 24 CG ASP A 2 2.362 -15.761 7.398 1.00 0.00 C ATOM 25 OD1 ASP A 2 1.171 -15.607 7.171 1.00 0.00 O ATOM 26 OD2 ASP A 2 2.841 -16.790 7.846 1.00 0.00 O ATOM 0 H ASP A 2 4.695 -16.266 5.948 1.00 0.00 H new ATOM 0 HA ASP A 2 2.641 -14.586 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.243 -14.730 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.867 -13.662 7.449 1.00 0.00 H new ATOM 31 N ASN A 3 5.568 -13.113 5.413 1.00 0.00 N ATOM 32 CA ASN A 3 6.318 -11.886 5.123 1.00 0.00 C ATOM 33 C ASN A 3 5.723 -10.711 5.901 1.00 0.00 C ATOM 34 O ASN A 3 5.025 -9.872 5.337 1.00 0.00 O ATOM 35 CB ASN A 3 6.302 -11.597 3.611 1.00 0.00 C ATOM 36 CG ASN A 3 7.027 -12.706 2.854 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.427 -13.394 2.030 1.00 0.00 O ATOM 38 ND2 ASN A 3 8.293 -12.918 3.081 1.00 0.00 N ATOM 0 H ASN A 3 6.143 -13.891 5.736 1.00 0.00 H new ATOM 0 HA ASN A 3 7.353 -12.022 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.273 -11.519 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.780 -10.638 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.786 -13.654 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.791 -12.348 3.764 1.00 0.00 H new ATOM 45 N LYS A 4 5.978 -10.686 7.211 1.00 0.00 N ATOM 46 CA LYS A 4 5.434 -9.641 8.082 1.00 0.00 C ATOM 47 C LYS A 4 5.751 -8.234 7.571 1.00 0.00 C ATOM 48 O LYS A 4 4.877 -7.371 7.590 1.00 0.00 O ATOM 49 CB LYS A 4 5.979 -9.814 9.511 1.00 0.00 C ATOM 50 CG LYS A 4 5.403 -8.738 10.447 1.00 0.00 C ATOM 51 CD LYS A 4 3.934 -9.054 10.749 1.00 0.00 C ATOM 52 CE LYS A 4 3.365 -8.016 11.724 1.00 0.00 C ATOM 53 NZ LYS A 4 3.181 -6.715 11.017 1.00 0.00 N ATOM 0 H LYS A 4 6.556 -11.375 7.691 1.00 0.00 H new ATOM 0 HA LYS A 4 4.349 -9.750 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.722 -10.805 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.067 -9.749 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.976 -8.703 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.486 -7.755 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.356 -9.053 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.849 -10.053 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.412 -8.362 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.039 -7.889 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.557 -6.100 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.105 -6.253 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.753 -6.884 10.085 1.00 0.00 H new ATOM 67 N PHE A 5 6.987 -7.994 7.126 1.00 0.00 N ATOM 68 CA PHE A 5 7.352 -6.670 6.636 1.00 0.00 C ATOM 69 C PHE A 5 6.596 -6.343 5.349 1.00 0.00 C ATOM 70 O PHE A 5 6.126 -5.227 5.187 1.00 0.00 O ATOM 71 CB PHE A 5 8.872 -6.543 6.444 1.00 0.00 C ATOM 72 CG PHE A 5 9.309 -7.074 5.093 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.425 -8.455 4.887 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.615 -6.182 4.049 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.845 -8.945 3.647 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.032 -6.676 2.813 1.00 0.00 C ATOM 77 CZ PHE A 5 10.150 -8.056 2.610 1.00 0.00 C ATOM 0 H PHE A 5 7.736 -8.686 7.096 1.00 0.00 H new ATOM 0 HA PHE A 5 7.061 -5.939 7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.165 -5.497 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.386 -7.090 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.190 -9.141 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.527 -5.117 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.934 -10.010 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.264 -5.992 2.010 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.477 -8.435 1.653 1.00 0.00 H new ATOM 87 N ASN A 6 6.456 -7.328 4.452 1.00 0.00 N ATOM 88 CA ASN A 6 5.714 -7.126 3.210 1.00 0.00 C ATOM 89 C ASN A 6 4.251 -6.915 3.553 1.00 0.00 C ATOM 90 O ASN A 6 3.601 -6.005 3.055 1.00 0.00 O ATOM 91 CB ASN A 6 5.846 -8.374 2.336 1.00 0.00 C ATOM 92 CG ASN A 6 5.290 -8.147 0.929 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.733 -7.258 0.224 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.345 -8.923 0.474 1.00 0.00 N ATOM 0 H ASN A 6 6.845 -8.264 4.566 1.00 0.00 H new ATOM 0 HA ASN A 6 6.106 -6.261 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.895 -8.661 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.318 -9.204 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.980 -8.784 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.971 -9.669 1.061 1.00 0.00 H new ATOM 101 N LYS A 7 3.767 -7.769 4.446 1.00 0.00 N ATOM 102 CA LYS A 7 2.400 -7.718 4.909 1.00 0.00 C ATOM 103 C LYS A 7 2.153 -6.368 5.560 1.00 0.00 C ATOM 104 O LYS A 7 1.142 -5.717 5.311 1.00 0.00 O ATOM 105 CB LYS A 7 2.186 -8.865 5.916 1.00 0.00 C ATOM 106 CG LYS A 7 0.693 -9.112 6.147 1.00 0.00 C ATOM 107 CD LYS A 7 0.487 -10.461 6.852 1.00 0.00 C ATOM 108 CE LYS A 7 0.302 -11.565 5.806 1.00 0.00 C ATOM 109 NZ LYS A 7 0.556 -12.894 6.430 1.00 0.00 N ATOM 0 H LYS A 7 4.319 -8.516 4.867 1.00 0.00 H new ATOM 0 HA LYS A 7 1.700 -7.837 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.657 -9.775 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.670 -8.620 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.272 -8.308 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.163 -9.105 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.345 -10.686 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.386 -10.413 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.709 -11.530 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.985 -11.407 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.380 -13.645 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.544 -12.944 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.079 -13.023 7.244 1.00 0.00 H new ATOM 123 N GLU A 8 3.105 -5.947 6.381 1.00 0.00 N ATOM 124 CA GLU A 8 2.997 -4.666 7.055 1.00 0.00 C ATOM 125 C GLU A 8 3.224 -3.509 6.089 1.00 0.00 C ATOM 126 O GLU A 8 2.549 -2.491 6.167 1.00 0.00 O ATOM 127 CB GLU A 8 3.965 -4.595 8.238 1.00 0.00 C ATOM 128 CG GLU A 8 3.805 -3.249 8.968 1.00 0.00 C ATOM 129 CD GLU A 8 2.362 -3.065 9.453 1.00 0.00 C ATOM 130 OE1 GLU A 8 1.871 -3.941 10.150 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.770 -2.048 9.123 1.00 0.00 O ATOM 0 H GLU A 8 3.954 -6.471 6.594 1.00 0.00 H new ATOM 0 HA GLU A 8 1.982 -4.575 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.771 -5.417 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.991 -4.708 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.488 -3.206 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.076 -2.432 8.299 1.00 0.00 H new ATOM 138 N LEU A 9 4.145 -3.700 5.158 1.00 0.00 N ATOM 139 CA LEU A 9 4.431 -2.691 4.134 1.00 0.00 C ATOM 140 C LEU A 9 3.153 -2.439 3.376 1.00 0.00 C ATOM 141 O LEU A 9 2.823 -1.303 3.047 1.00 0.00 O ATOM 142 CB LEU A 9 5.533 -3.211 3.194 1.00 0.00 C ATOM 143 CG LEU A 9 5.685 -2.282 1.980 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.446 -1.009 2.327 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.446 -2.997 0.894 1.00 0.00 C ATOM 0 H LEU A 9 4.712 -4.545 5.085 1.00 0.00 H new ATOM 0 HA LEU A 9 4.784 -1.763 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.479 -3.274 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.289 -4.219 2.860 1.00 0.00 H new ATOM 0 HG LEU A 9 4.682 -2.012 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.530 -0.382 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.911 -0.466 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.443 -1.267 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.555 -2.339 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.433 -3.276 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.902 -3.894 0.599 1.00 0.00 H new ATOM 157 N GLY A 10 2.415 -3.508 3.146 1.00 0.00 N ATOM 158 CA GLY A 10 1.163 -3.397 2.478 1.00 0.00 C ATOM 159 C GLY A 10 0.125 -2.807 3.410 1.00 0.00 C ATOM 160 O GLY A 10 -0.693 -1.982 3.017 1.00 0.00 O ATOM 0 H GLY A 10 2.673 -4.457 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.268 -2.768 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.838 -4.379 2.134 1.00 0.00 H new ATOM 164 N TRP A 11 0.130 -3.268 4.651 1.00 0.00 N ATOM 165 CA TRP A 11 -0.853 -2.793 5.594 1.00 0.00 C ATOM 166 C TRP A 11 -0.677 -1.370 6.015 1.00 0.00 C ATOM 167 O TRP A 11 -1.642 -0.605 5.985 1.00 0.00 O ATOM 168 CB TRP A 11 -0.981 -3.700 6.796 1.00 0.00 C ATOM 169 CG TRP A 11 -2.442 -3.785 7.153 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.901 -3.887 8.403 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.636 -3.746 6.279 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.285 -3.950 8.374 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.781 -3.857 7.090 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.840 -3.638 4.877 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.067 -3.856 6.545 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.111 -3.633 4.330 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.236 -3.741 5.159 1.00 0.00 C ATOM 0 H TRP A 11 0.790 -3.954 5.017 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.790 -2.823 5.038 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.584 -4.690 6.572 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.405 -3.308 7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.291 -3.916 9.294 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.868 -4.053 9.204 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.984 -3.558 4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.929 -3.944 7.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.237 -3.546 3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.228 -3.736 4.732 1.00 0.00 H new ATOM 188 N ALA A 12 0.516 -0.999 6.409 1.00 0.00 N ATOM 189 CA ALA A 12 0.725 0.357 6.824 1.00 0.00 C ATOM 190 C ALA A 12 0.310 1.279 5.673 1.00 0.00 C ATOM 191 O ALA A 12 -0.337 2.295 5.887 1.00 0.00 O ATOM 192 CB ALA A 12 2.184 0.564 7.223 1.00 0.00 C ATOM 0 H ALA A 12 1.337 -1.604 6.450 1.00 0.00 H new ATOM 0 HA ALA A 12 0.120 0.591 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.332 1.597 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.434 -0.105 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.828 0.347 6.371 1.00 0.00 H new ATOM 198 N THR A 13 0.619 0.852 4.440 1.00 0.00 N ATOM 199 CA THR A 13 0.221 1.582 3.240 1.00 0.00 C ATOM 200 C THR A 13 -1.290 1.770 3.218 1.00 0.00 C ATOM 201 O THR A 13 -1.772 2.873 2.985 1.00 0.00 O ATOM 202 CB THR A 13 0.673 0.770 2.032 1.00 0.00 C ATOM 203 OG1 THR A 13 2.061 0.941 1.877 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.047 1.215 0.763 1.00 0.00 C ATOM 0 H THR A 13 1.147 -0.001 4.253 1.00 0.00 H new ATOM 0 HA THR A 13 0.681 2.570 3.224 1.00 0.00 H new ATOM 0 HB THR A 13 0.431 -0.280 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.511 0.076 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.298 0.616 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.121 1.080 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.167 2.267 0.573 1.00 0.00 H new ATOM 212 N TRP A 14 -2.015 0.686 3.485 1.00 0.00 N ATOM 213 CA TRP A 14 -3.477 0.713 3.512 1.00 0.00 C ATOM 214 C TRP A 14 -3.995 1.595 4.636 1.00 0.00 C ATOM 215 O TRP A 14 -4.911 2.383 4.445 1.00 0.00 O ATOM 216 CB TRP A 14 -3.990 -0.696 3.747 1.00 0.00 C ATOM 217 CG TRP A 14 -5.461 -0.780 3.487 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.414 -0.804 4.446 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.162 -0.879 2.215 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.647 -0.954 3.847 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.545 -0.998 2.475 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.742 -0.888 0.871 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.466 -1.131 1.444 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.663 -1.019 -0.153 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.014 -1.144 0.127 1.00 0.00 C ATOM 0 H TRP A 14 -1.611 -0.228 3.687 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.826 1.112 2.559 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.461 -1.393 3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.780 -0.997 4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.238 -0.719 5.508 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.527 -1.024 4.358 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.692 -0.792 0.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.520 -1.223 1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.326 -1.024 -1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.722 -1.252 -0.682 1.00 0.00 H new ATOM 236 N GLU A 15 -3.409 1.433 5.813 1.00 0.00 N ATOM 237 CA GLU A 15 -3.823 2.199 6.978 1.00 0.00 C ATOM 238 C GLU A 15 -3.621 3.693 6.712 1.00 0.00 C ATOM 239 O GLU A 15 -4.472 4.514 7.058 1.00 0.00 O ATOM 240 CB GLU A 15 -3.022 1.717 8.190 1.00 0.00 C ATOM 241 CG GLU A 15 -3.385 0.245 8.484 1.00 0.00 C ATOM 242 CD GLU A 15 -2.397 -0.353 9.485 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.588 -0.147 10.672 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.459 -1.003 9.047 1.00 0.00 O ATOM 0 H GLU A 15 -2.646 0.778 5.986 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.883 2.048 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.954 1.809 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.242 2.339 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.398 0.185 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.371 -0.332 7.559 1.00 0.00 H new ATOM 251 N ILE A 16 -2.521 4.019 6.026 1.00 0.00 N ATOM 252 CA ILE A 16 -2.235 5.402 5.630 1.00 0.00 C ATOM 253 C ILE A 16 -3.245 5.803 4.543 1.00 0.00 C ATOM 254 O ILE A 16 -3.724 6.937 4.494 1.00 0.00 O ATOM 255 CB ILE A 16 -0.792 5.493 5.070 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.233 5.158 6.169 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.496 6.900 4.535 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.626 4.943 5.549 1.00 0.00 C ATOM 0 H ILE A 16 -1.814 3.344 5.733 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.319 6.071 6.487 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.711 4.774 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.272 5.967 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.077 4.261 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.523 6.935 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.196 7.140 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.604 7.626 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.342 4.707 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.584 4.119 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.939 5.851 5.034 1.00 0.00 H new ATOM 270 N PHE A 17 -3.561 4.822 3.691 1.00 0.00 N ATOM 271 CA PHE A 17 -4.519 4.979 2.590 1.00 0.00 C ATOM 272 C PHE A 17 -5.913 5.267 3.147 1.00 0.00 C ATOM 273 O PHE A 17 -6.690 6.029 2.567 1.00 0.00 O ATOM 274 CB PHE A 17 -4.568 3.654 1.809 1.00 0.00 C ATOM 275 CG PHE A 17 -4.813 3.859 0.332 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.734 4.113 -0.524 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.105 3.734 -0.188 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.945 4.249 -1.896 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.321 3.860 -1.562 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.239 4.119 -2.417 1.00 0.00 C ATOM 0 H PHE A 17 -3.155 3.888 3.746 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.211 5.804 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.628 3.120 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.356 3.023 2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.736 4.204 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.936 3.540 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.114 4.454 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.318 3.758 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.404 4.218 -3.480 1.00 0.00 H new ATOM 290 N ASN A 18 -6.219 4.603 4.263 1.00 0.00 N ATOM 291 CA ASN A 18 -7.521 4.714 4.916 1.00 0.00 C ATOM 292 C ASN A 18 -7.573 5.837 5.953 1.00 0.00 C ATOM 293 O ASN A 18 -8.596 5.991 6.628 1.00 0.00 O ATOM 294 CB ASN A 18 -7.850 3.384 5.612 1.00 0.00 C ATOM 295 CG ASN A 18 -8.034 2.258 4.594 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.359 2.218 3.566 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.914 1.329 4.830 1.00 0.00 N ATOM 0 H ASN A 18 -5.571 3.974 4.738 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.250 4.949 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.049 3.125 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.759 3.495 6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.044 0.568 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.474 1.361 5.682 1.00 0.00 H new ATOM 304 N LEU A 19 -6.499 6.626 6.099 1.00 0.00 N ATOM 305 CA LEU A 19 -6.530 7.702 7.085 1.00 0.00 C ATOM 306 C LEU A 19 -7.503 8.787 6.617 1.00 0.00 C ATOM 307 O LEU A 19 -7.477 9.176 5.447 1.00 0.00 O ATOM 308 CB LEU A 19 -5.139 8.290 7.326 1.00 0.00 C ATOM 309 CG LEU A 19 -4.496 7.635 8.565 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.132 8.240 8.783 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.318 7.893 9.832 1.00 0.00 C ATOM 0 H LEU A 19 -5.632 6.542 5.568 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.871 7.291 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.510 8.127 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.211 9.368 7.471 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.443 6.561 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.667 7.784 9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.510 8.060 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.232 9.314 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.833 7.416 10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.387 8.966 10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.319 7.481 9.706 1.00 0.00 H new ATOM 323 N PRO A 20 -8.391 9.243 7.476 1.00 0.00 N ATOM 324 CA PRO A 20 -9.426 10.253 7.113 1.00 0.00 C ATOM 325 C PRO A 20 -8.953 11.712 7.101 1.00 0.00 C ATOM 326 O PRO A 20 -9.804 12.607 7.128 1.00 0.00 O ATOM 327 CB PRO A 20 -10.510 10.056 8.199 1.00 0.00 C ATOM 328 CG PRO A 20 -10.035 8.957 9.091 1.00 0.00 C ATOM 329 CD PRO A 20 -8.536 8.873 8.891 1.00 0.00 C ATOM 0 HA PRO A 20 -9.756 10.093 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.661 10.975 8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.468 9.799 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.278 9.168 10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.516 8.013 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.999 9.557 9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.154 7.872 9.091 1.00 0.00 H new ATOM 337 N ASN A 21 -7.635 11.988 7.077 1.00 0.00 N ATOM 338 CA ASN A 21 -7.217 13.408 7.091 1.00 0.00 C ATOM 339 C ASN A 21 -5.978 13.693 6.246 1.00 0.00 C ATOM 340 O ASN A 21 -5.588 14.854 6.100 1.00 0.00 O ATOM 341 CB ASN A 21 -6.982 13.874 8.532 1.00 0.00 C ATOM 342 CG ASN A 21 -8.276 13.797 9.336 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.464 12.806 10.161 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.143 14.660 9.203 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.883 11.300 7.050 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.035 13.969 6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.218 13.254 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.607 14.897 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.996 15.436 8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.009 14.600 9.739 1.00 0.00 H new ATOM 351 N LEU A 22 -5.372 12.661 5.680 1.00 0.00 N ATOM 352 CA LEU A 22 -4.188 12.858 4.842 1.00 0.00 C ATOM 353 C LEU A 22 -4.588 13.262 3.434 1.00 0.00 C ATOM 354 O LEU A 22 -5.648 12.861 2.947 1.00 0.00 O ATOM 355 CB LEU A 22 -3.369 11.575 4.774 1.00 0.00 C ATOM 356 CG LEU A 22 -2.953 11.144 6.178 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.152 9.857 6.084 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.078 12.215 6.826 1.00 0.00 C ATOM 0 H LEU A 22 -5.670 11.691 5.780 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.590 13.652 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.953 10.786 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.485 11.731 4.156 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.849 10.997 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.851 9.542 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 9.080 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.265 10.024 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.790 11.893 7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.184 12.368 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.636 13.149 6.892 1.00 0.00 H new ATOM 370 N ASN A 23 -3.723 14.034 2.770 1.00 0.00 N ATOM 371 CA ASN A 23 -4.000 14.452 1.401 1.00 0.00 C ATOM 372 C ASN A 23 -3.318 13.485 0.442 1.00 0.00 C ATOM 373 O ASN A 23 -2.450 12.706 0.850 1.00 0.00 O ATOM 374 CB ASN A 23 -3.547 15.906 1.159 1.00 0.00 C ATOM 375 CG ASN A 23 -2.025 16.036 1.126 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.317 15.272 1.771 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.479 16.975 0.406 1.00 0.00 N ATOM 0 H ASN A 23 -2.841 14.375 3.153 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.075 14.427 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.961 16.262 0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.948 16.546 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.464 17.073 0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.067 17.612 -0.132 1.00 0.00 H new ATOM 384 N GLY A 24 -3.733 13.518 -0.820 1.00 0.00 N ATOM 385 CA GLY A 24 -3.182 12.619 -1.830 1.00 0.00 C ATOM 386 C GLY A 24 -1.655 12.581 -1.800 1.00 0.00 C ATOM 387 O GLY A 24 -1.059 11.541 -2.063 1.00 0.00 O ATOM 0 H GLY A 24 -4.448 14.156 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.572 11.614 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.516 12.937 -2.818 1.00 0.00 H new ATOM 391 N VAL A 25 -1.032 13.716 -1.485 1.00 0.00 N ATOM 392 CA VAL A 25 0.428 13.796 -1.442 1.00 0.00 C ATOM 393 C VAL A 25 1.015 13.115 -0.210 1.00 0.00 C ATOM 394 O VAL A 25 1.958 12.338 -0.342 1.00 0.00 O ATOM 395 CB VAL A 25 0.869 15.258 -1.500 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.397 15.344 -1.377 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.434 15.843 -2.847 1.00 0.00 C ATOM 0 H VAL A 25 -1.511 14.587 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 25 0.809 13.261 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 25 0.415 15.816 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.707 16.388 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.711 14.910 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.860 14.795 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.741 16.887 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.901 15.281 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.650 15.778 -2.939 1.00 0.00 H new ATOM 407 N GLN A 26 0.483 13.404 0.982 1.00 0.00 N ATOM 408 CA GLN A 26 1.017 12.791 2.191 1.00 0.00 C ATOM 409 C GLN A 26 0.878 11.281 2.133 1.00 0.00 C ATOM 410 O GLN A 26 1.825 10.560 2.436 1.00 0.00 O ATOM 411 CB GLN A 26 0.328 13.350 3.433 1.00 0.00 C ATOM 412 CG GLN A 26 1.132 14.555 3.951 1.00 0.00 C ATOM 413 CD GLN A 26 0.194 15.597 4.525 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.418 15.333 5.629 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.014 16.670 3.952 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.298 14.043 1.130 1.00 0.00 H new ATOM 0 HA GLN A 26 2.078 13.034 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.692 13.652 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.261 12.583 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.838 14.230 4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.717 14.988 3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.502 16.870 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.624 17.360 4.350 1.00 0.00 H new ATOM 424 N VAL A 27 -0.288 10.805 1.700 1.00 0.00 N ATOM 425 CA VAL A 27 -0.503 9.364 1.580 1.00 0.00 C ATOM 426 C VAL A 27 0.483 8.797 0.564 1.00 0.00 C ATOM 427 O VAL A 27 1.141 7.787 0.811 1.00 0.00 O ATOM 428 CB VAL A 27 -1.943 9.063 1.136 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.148 7.546 1.057 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.934 9.650 2.148 1.00 0.00 C ATOM 0 H VAL A 27 -1.084 11.383 1.431 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.343 8.898 2.552 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.114 9.511 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.170 7.333 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.450 7.122 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.971 7.103 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.953 9.433 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.760 9.205 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.795 10.729 2.209 1.00 0.00 H new ATOM 440 N LYS A 28 0.590 9.491 -0.566 1.00 0.00 N ATOM 441 CA LYS A 28 1.509 9.109 -1.636 1.00 0.00 C ATOM 442 C LYS A 28 2.947 9.122 -1.126 1.00 0.00 C ATOM 443 O LYS A 28 3.763 8.295 -1.528 1.00 0.00 O ATOM 444 CB LYS A 28 1.338 10.091 -2.815 1.00 0.00 C ATOM 445 CG LYS A 28 2.214 9.695 -4.014 1.00 0.00 C ATOM 446 CD LYS A 28 2.116 10.796 -5.082 1.00 0.00 C ATOM 447 CE LYS A 28 2.967 10.433 -6.303 1.00 0.00 C ATOM 448 NZ LYS A 28 4.412 10.596 -5.970 1.00 0.00 N ATOM 0 H LYS A 28 0.045 10.330 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 28 1.283 8.098 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.292 10.115 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.598 11.098 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.249 9.566 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.884 8.741 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.077 10.929 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.452 11.746 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.767 9.405 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.703 11.071 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.916 10.984 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.511 11.247 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.817 9.671 -5.720 1.00 0.00 H new ATOM 462 N ALA A 29 3.240 10.073 -0.240 1.00 0.00 N ATOM 463 CA ALA A 29 4.569 10.213 0.332 1.00 0.00 C ATOM 464 C ALA A 29 4.861 9.094 1.294 1.00 0.00 C ATOM 465 O ALA A 29 5.949 8.524 1.280 1.00 0.00 O ATOM 466 CB ALA A 29 4.677 11.525 1.079 1.00 0.00 C ATOM 0 H ALA A 29 2.566 10.761 0.096 1.00 0.00 H new ATOM 0 HA ALA A 29 5.288 10.184 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.676 11.621 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.494 12.351 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.938 11.549 1.880 1.00 0.00 H new ATOM 472 N PHE A 30 3.879 8.781 2.127 1.00 0.00 N ATOM 473 CA PHE A 30 4.032 7.728 3.080 1.00 0.00 C ATOM 474 C PHE A 30 4.226 6.438 2.319 1.00 0.00 C ATOM 475 O PHE A 30 5.067 5.617 2.683 1.00 0.00 O ATOM 476 CB PHE A 30 2.815 7.662 4.002 1.00 0.00 C ATOM 477 CG PHE A 30 2.696 8.942 4.820 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.825 9.476 5.470 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.454 9.599 4.936 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.709 10.647 6.214 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.354 10.768 5.686 1.00 0.00 C ATOM 482 CZ PHE A 30 2.478 11.291 6.319 1.00 0.00 C ATOM 0 H PHE A 30 2.974 9.250 2.151 1.00 0.00 H new ATOM 0 HA PHE A 30 4.899 7.907 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.911 7.516 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.902 6.804 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.780 8.978 5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.581 9.196 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.576 11.057 6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.402 11.270 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.395 12.201 6.895 1.00 0.00 H new ATOM 492 N ILE A 31 3.486 6.300 1.211 1.00 0.00 N ATOM 493 CA ILE A 31 3.632 5.134 0.370 1.00 0.00 C ATOM 494 C ILE A 31 5.002 5.145 -0.266 1.00 0.00 C ATOM 495 O ILE A 31 5.683 4.135 -0.279 1.00 0.00 O ATOM 496 CB ILE A 31 2.536 5.082 -0.710 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.205 4.719 -0.033 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.880 4.033 -1.801 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.081 4.697 -1.065 1.00 0.00 C ATOM 0 H ILE A 31 2.794 6.977 0.890 1.00 0.00 H new ATOM 0 HA ILE A 31 3.524 4.242 0.988 1.00 0.00 H new ATOM 0 HB ILE A 31 2.461 6.055 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.287 3.744 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.977 5.443 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.090 4.016 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.825 4.298 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.967 3.047 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.858 4.439 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.009 5.681 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.306 3.956 -1.832 1.00 0.00 H new ATOM 511 N ASP A 32 5.396 6.300 -0.778 1.00 0.00 N ATOM 512 CA ASP A 32 6.696 6.437 -1.423 1.00 0.00 C ATOM 513 C ASP A 32 7.814 6.075 -0.450 1.00 0.00 C ATOM 514 O ASP A 32 8.766 5.377 -0.801 1.00 0.00 O ATOM 515 CB ASP A 32 6.883 7.868 -1.939 1.00 0.00 C ATOM 516 CG ASP A 32 8.106 7.939 -2.851 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.954 7.680 -4.035 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.177 8.243 -2.352 1.00 0.00 O ATOM 0 H ASP A 32 4.838 7.154 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 32 6.738 5.751 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.994 8.186 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.005 8.553 -1.100 1.00 0.00 H new ATOM 523 N SER A 33 7.651 6.537 0.778 1.00 0.00 N ATOM 524 CA SER A 33 8.603 6.262 1.850 1.00 0.00 C ATOM 525 C SER A 33 8.588 4.769 2.174 1.00 0.00 C ATOM 526 O SER A 33 9.625 4.158 2.417 1.00 0.00 O ATOM 527 CB SER A 33 8.224 7.080 3.082 1.00 0.00 C ATOM 528 OG SER A 33 8.343 8.464 2.779 1.00 0.00 O ATOM 0 H SER A 33 6.858 7.112 1.063 1.00 0.00 H new ATOM 0 HA SER A 33 9.609 6.541 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.203 6.849 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.873 6.822 3.919 1.00 0.00 H new ATOM 0 HG SER A 33 7.590 8.741 2.216 1.00 0.00 H new ATOM 534 N LEU A 34 7.385 4.201 2.130 1.00 0.00 N ATOM 535 CA LEU A 34 7.164 2.773 2.363 1.00 0.00 C ATOM 536 C LEU A 34 7.963 1.963 1.346 1.00 0.00 C ATOM 537 O LEU A 34 8.732 1.075 1.709 1.00 0.00 O ATOM 538 CB LEU A 34 5.667 2.508 2.185 1.00 0.00 C ATOM 539 CG LEU A 34 4.947 2.376 3.525 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.637 3.164 3.512 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.623 0.916 3.752 1.00 0.00 C ATOM 0 H LEU A 34 6.530 4.720 1.931 1.00 0.00 H new ATOM 0 HA LEU A 34 7.486 2.484 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.220 3.321 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.527 1.595 1.606 1.00 0.00 H new ATOM 0 HG LEU A 34 5.590 2.766 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.139 3.057 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.848 4.217 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.989 2.780 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.108 0.802 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.981 0.556 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.546 0.336 3.767 1.00 0.00 H new ATOM 553 N ARG A 35 7.780 2.294 0.070 1.00 0.00 N ATOM 554 CA ARG A 35 8.505 1.601 -1.015 1.00 0.00 C ATOM 555 C ARG A 35 10.014 1.759 -0.822 1.00 0.00 C ATOM 556 O ARG A 35 10.774 0.797 -0.942 1.00 0.00 O ATOM 557 CB ARG A 35 8.164 2.168 -2.413 1.00 0.00 C ATOM 558 CG ARG A 35 6.827 2.909 -2.405 1.00 0.00 C ATOM 559 CD ARG A 35 6.321 3.181 -3.827 1.00 0.00 C ATOM 560 NE ARG A 35 5.637 2.014 -4.361 1.00 0.00 N ATOM 561 CZ ARG A 35 6.300 1.050 -4.969 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.624 1.162 -6.220 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.632 0.001 -4.302 1.00 0.00 N ATOM 0 H ARG A 35 7.146 3.028 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 35 8.198 0.556 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.955 2.845 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.126 1.355 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.088 2.320 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.937 3.853 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.643 4.035 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.159 3.445 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 35 4.624 1.940 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.366 2.000 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.137 0.412 -6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.382 -0.077 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.145 -0.753 -4.759 1.00 0.00 H new ATOM 577 N ASP A 36 10.425 2.995 -0.527 1.00 0.00 N ATOM 578 CA ASP A 36 11.833 3.324 -0.317 1.00 0.00 C ATOM 579 C ASP A 36 12.384 2.578 0.887 1.00 0.00 C ATOM 580 O ASP A 36 13.538 2.147 0.894 1.00 0.00 O ATOM 581 CB ASP A 36 11.982 4.826 -0.106 1.00 0.00 C ATOM 582 CG ASP A 36 13.460 5.214 -0.061 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.032 5.420 -1.120 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.000 5.293 1.030 1.00 0.00 O ATOM 0 H ASP A 36 9.794 3.790 -0.428 1.00 0.00 H new ATOM 0 HA ASP A 36 12.397 3.022 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.483 5.364 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.494 5.119 0.824 1.00 0.00 H new ATOM 589 N ASP A 37 11.537 2.434 1.897 1.00 0.00 N ATOM 590 CA ASP A 37 11.914 1.740 3.119 1.00 0.00 C ATOM 591 C ASP A 37 10.692 1.092 3.751 1.00 0.00 C ATOM 592 O ASP A 37 9.922 1.743 4.465 1.00 0.00 O ATOM 593 CB ASP A 37 12.584 2.706 4.108 1.00 0.00 C ATOM 594 CG ASP A 37 13.296 1.920 5.213 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.626 1.187 5.926 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.502 2.059 5.330 1.00 0.00 O ATOM 0 H ASP A 37 10.581 2.790 1.893 1.00 0.00 H new ATOM 0 HA ASP A 37 12.633 0.960 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.300 3.338 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.836 3.367 4.546 1.00 0.00 H new ATOM 601 N PRO A 38 10.497 -0.177 3.490 1.00 0.00 N ATOM 602 CA PRO A 38 9.344 -0.932 4.029 1.00 0.00 C ATOM 603 C PRO A 38 9.434 -1.169 5.529 1.00 0.00 C ATOM 604 O PRO A 38 8.413 -1.253 6.210 1.00 0.00 O ATOM 605 CB PRO A 38 9.350 -2.250 3.266 1.00 0.00 C ATOM 606 CG PRO A 38 10.491 -2.218 2.301 1.00 0.00 C ATOM 607 CD PRO A 38 11.362 -1.024 2.654 1.00 0.00 C ATOM 0 HA PRO A 38 8.419 -0.371 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.456 -3.089 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.407 -2.389 2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.067 -3.142 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.124 -2.135 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.258 -1.331 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.693 -0.495 1.760 1.00 0.00 H new ATOM 615 N SER A 39 10.655 -1.260 6.043 1.00 0.00 N ATOM 616 CA SER A 39 10.854 -1.463 7.471 1.00 0.00 C ATOM 617 C SER A 39 10.264 -0.270 8.219 1.00 0.00 C ATOM 618 O SER A 39 9.809 -0.389 9.357 1.00 0.00 O ATOM 619 CB SER A 39 12.346 -1.593 7.790 1.00 0.00 C ATOM 620 OG SER A 39 12.928 -2.562 6.927 1.00 0.00 O ATOM 0 H SER A 39 11.514 -1.197 5.497 1.00 0.00 H new ATOM 0 HA SER A 39 10.358 -2.382 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.842 -0.631 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.483 -1.887 8.831 1.00 0.00 H new ATOM 0 HG SER A 39 13.884 -2.647 7.127 1.00 0.00 H new ATOM 626 N GLN A 40 10.282 0.879 7.539 1.00 0.00 N ATOM 627 CA GLN A 40 9.758 2.121 8.090 1.00 0.00 C ATOM 628 C GLN A 40 8.248 2.239 7.877 1.00 0.00 C ATOM 629 O GLN A 40 7.647 3.222 8.276 1.00 0.00 O ATOM 630 CB GLN A 40 10.453 3.317 7.414 1.00 0.00 C ATOM 631 CG GLN A 40 11.531 3.900 8.333 1.00 0.00 C ATOM 632 CD GLN A 40 12.733 2.958 8.415 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.624 1.852 8.944 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.878 3.333 7.918 1.00 0.00 N ATOM 0 H GLN A 40 10.659 0.970 6.596 1.00 0.00 H new ATOM 0 HA GLN A 40 9.955 2.120 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.902 3.000 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.717 4.085 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.849 4.873 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.119 4.061 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.968 4.250 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.684 2.710 7.967 1.00 0.00 H new ATOM 643 N SER A 41 7.638 1.254 7.236 1.00 0.00 N ATOM 644 CA SER A 41 6.201 1.304 6.953 1.00 0.00 C ATOM 645 C SER A 41 5.388 1.649 8.202 1.00 0.00 C ATOM 646 O SER A 41 4.407 2.389 8.127 1.00 0.00 O ATOM 647 CB SER A 41 5.750 -0.067 6.448 1.00 0.00 C ATOM 648 OG SER A 41 5.908 -1.029 7.483 1.00 0.00 O ATOM 0 H SER A 41 8.107 0.412 6.901 1.00 0.00 H new ATOM 0 HA SER A 41 6.031 2.079 6.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.708 -0.025 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.336 -0.356 5.576 1.00 0.00 H new ATOM 0 HG SER A 41 6.802 -1.426 7.426 1.00 0.00 H new ATOM 654 N ALA A 42 5.827 1.133 9.340 1.00 0.00 N ATOM 655 CA ALA A 42 5.169 1.400 10.611 1.00 0.00 C ATOM 656 C ALA A 42 5.337 2.859 10.983 1.00 0.00 C ATOM 657 O ALA A 42 4.427 3.503 11.499 1.00 0.00 O ATOM 658 CB ALA A 42 5.836 0.569 11.690 1.00 0.00 C ATOM 0 H ALA A 42 6.642 0.523 9.410 1.00 0.00 H new ATOM 0 HA ALA A 42 4.111 1.155 10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.352 0.760 12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.746 -0.489 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.890 0.838 11.756 1.00 0.00 H new ATOM 664 N ASN A 43 6.537 3.345 10.715 1.00 0.00 N ATOM 665 CA ASN A 43 6.916 4.707 11.004 1.00 0.00 C ATOM 666 C ASN A 43 6.152 5.689 10.125 1.00 0.00 C ATOM 667 O ASN A 43 5.811 6.786 10.539 1.00 0.00 O ATOM 668 CB ASN A 43 8.412 4.837 10.744 1.00 0.00 C ATOM 669 CG ASN A 43 9.206 4.394 11.970 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.164 5.051 13.009 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.930 3.311 11.909 1.00 0.00 N ATOM 0 H ASN A 43 7.280 2.794 10.286 1.00 0.00 H new ATOM 0 HA ASN A 43 6.678 4.941 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.692 4.230 9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.656 5.871 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.463 3.007 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.963 2.768 11.046 1.00 0.00 H new ATOM 678 N LEU A 44 5.909 5.260 8.907 1.00 0.00 N ATOM 679 CA LEU A 44 5.203 6.043 7.906 1.00 0.00 C ATOM 680 C LEU A 44 3.751 6.062 8.242 1.00 0.00 C ATOM 681 O LEU A 44 3.070 7.080 8.141 1.00 0.00 O ATOM 682 CB LEU A 44 5.491 5.389 6.569 1.00 0.00 C ATOM 683 CG LEU A 44 7.011 5.399 6.434 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.486 4.446 5.357 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.436 6.815 6.153 1.00 0.00 C ATOM 0 H LEU A 44 6.200 4.341 8.574 1.00 0.00 H new ATOM 0 HA LEU A 44 5.527 7.083 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.100 4.372 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.020 5.938 5.753 1.00 0.00 H new ATOM 0 HG LEU A 44 7.469 5.050 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.573 4.483 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.171 3.432 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.056 4.736 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.520 6.856 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.971 7.158 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.125 7.458 6.976 1.00 0.00 H new ATOM 697 N LEU A 45 3.328 4.927 8.726 1.00 0.00 N ATOM 698 CA LEU A 45 1.978 4.764 9.208 1.00 0.00 C ATOM 699 C LEU A 45 1.832 5.660 10.428 1.00 0.00 C ATOM 700 O LEU A 45 0.810 6.304 10.638 1.00 0.00 O ATOM 701 CB LEU A 45 1.739 3.293 9.567 1.00 0.00 C ATOM 702 CG LEU A 45 0.482 3.139 10.430 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.735 3.727 9.706 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.264 1.652 10.709 1.00 0.00 C ATOM 0 H LEU A 45 3.905 4.089 8.799 1.00 0.00 H new ATOM 0 HA LEU A 45 1.243 5.041 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.634 2.704 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.603 2.900 10.102 1.00 0.00 H new ATOM 0 HG LEU A 45 0.610 3.677 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.621 3.611 10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.565 4.786 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.885 3.203 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.628 1.524 11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.135 1.120 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.129 1.250 11.237 1.00 0.00 H new ATOM 716 N ALA A 46 2.906 5.711 11.201 1.00 0.00 N ATOM 717 CA ALA A 46 2.965 6.538 12.391 1.00 0.00 C ATOM 718 C ALA A 46 2.907 7.997 12.000 1.00 0.00 C ATOM 719 O ALA A 46 2.166 8.791 12.579 1.00 0.00 O ATOM 720 CB ALA A 46 4.277 6.297 13.129 1.00 0.00 C ATOM 0 H ALA A 46 3.758 5.181 11.020 1.00 0.00 H new ATOM 0 HA ALA A 46 2.122 6.282 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.313 6.922 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.345 5.248 13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.113 6.548 12.476 1.00 0.00 H new ATOM 726 N GLU A 47 3.700 8.318 10.990 1.00 0.00 N ATOM 727 CA GLU A 47 3.774 9.652 10.462 1.00 0.00 C ATOM 728 C GLU A 47 2.434 10.044 9.901 1.00 0.00 C ATOM 729 O GLU A 47 2.002 11.176 10.027 1.00 0.00 O ATOM 730 CB GLU A 47 4.786 9.670 9.329 1.00 0.00 C ATOM 731 CG GLU A 47 6.216 9.795 9.844 1.00 0.00 C ATOM 732 CD GLU A 47 6.379 11.043 10.720 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.047 12.124 10.253 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.825 10.898 11.845 1.00 0.00 O ATOM 0 H GLU A 47 4.310 7.650 10.518 1.00 0.00 H new ATOM 0 HA GLU A 47 4.065 10.343 11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.690 8.756 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.567 10.502 8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.478 8.907 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.906 9.845 9.002 1.00 0.00 H new ATOM 741 N ALA A 48 1.792 9.078 9.279 1.00 0.00 N ATOM 742 CA ALA A 48 0.508 9.290 8.688 1.00 0.00 C ATOM 743 C ALA A 48 -0.521 9.517 9.770 1.00 0.00 C ATOM 744 O ALA A 48 -1.304 10.451 9.692 1.00 0.00 O ATOM 745 CB ALA A 48 0.175 8.068 7.870 1.00 0.00 C ATOM 0 H ALA A 48 2.153 8.130 9.174 1.00 0.00 H new ATOM 0 HA ALA A 48 0.512 10.172 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.802 8.197 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.931 7.931 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.155 7.191 8.517 1.00 0.00 H new ATOM 751 N LYS A 49 -0.474 8.682 10.805 1.00 0.00 N ATOM 752 CA LYS A 49 -1.377 8.838 11.934 1.00 0.00 C ATOM 753 C LYS A 49 -1.129 10.196 12.563 1.00 0.00 C ATOM 754 O LYS A 49 -2.049 10.827 13.078 1.00 0.00 O ATOM 755 CB LYS A 49 -1.153 7.720 12.964 1.00 0.00 C ATOM 756 CG LYS A 49 -1.612 6.370 12.385 1.00 0.00 C ATOM 757 CD LYS A 49 -3.141 6.240 12.486 1.00 0.00 C ATOM 758 CE LYS A 49 -3.605 4.973 11.755 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.936 3.777 12.344 1.00 0.00 N ATOM 0 H LYS A 49 0.175 7.899 10.882 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.410 8.771 11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.098 7.669 13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.706 7.940 13.877 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.301 6.288 11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.134 5.553 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.443 6.198 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.619 7.118 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.687 4.872 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.369 5.047 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.279 2.918 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.907 3.857 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.155 3.721 13.359 1.00 0.00 H new ATOM 773 N LYS A 50 0.129 10.647 12.489 1.00 0.00 N ATOM 774 CA LYS A 50 0.504 11.932 13.021 1.00 0.00 C ATOM 775 C LYS A 50 0.010 13.047 12.123 1.00 0.00 C ATOM 776 O LYS A 50 -0.494 14.065 12.598 1.00 0.00 O ATOM 777 CB LYS A 50 2.019 11.984 13.169 1.00 0.00 C ATOM 778 CG LYS A 50 2.444 13.265 13.889 1.00 0.00 C ATOM 779 CD LYS A 50 3.930 13.167 14.239 1.00 0.00 C ATOM 780 CE LYS A 50 4.773 13.091 12.961 1.00 0.00 C ATOM 781 NZ LYS A 50 4.498 14.273 12.095 1.00 0.00 N ATOM 0 H LYS A 50 0.896 10.128 12.061 1.00 0.00 H new ATOM 0 HA LYS A 50 0.043 12.070 13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.366 11.114 13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.488 11.940 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.263 14.132 13.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.852 13.403 14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.229 14.033 14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.109 12.285 14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.832 13.056 13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.545 12.173 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.190 14.303 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.538 14.199 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.574 15.143 12.660 1.00 0.00 H new ATOM 795 N LEU A 51 0.157 12.836 10.822 1.00 0.00 N ATOM 796 CA LEU A 51 -0.276 13.816 9.845 1.00 0.00 C ATOM 797 C LEU A 51 -1.789 13.876 9.831 1.00 0.00 C ATOM 798 O LEU A 51 -2.385 14.952 9.803 1.00 0.00 O ATOM 799 CB LEU A 51 0.255 13.467 8.448 1.00 0.00 C ATOM 800 CG LEU A 51 1.567 14.213 8.152 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.383 15.723 8.357 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.693 13.692 9.060 1.00 0.00 C ATOM 0 H LEU A 51 0.573 11.995 10.423 1.00 0.00 H new ATOM 0 HA LEU A 51 0.124 14.791 10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.420 12.392 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.491 13.725 7.697 1.00 0.00 H new ATOM 0 HG LEU A 51 1.840 14.032 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.321 16.236 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.607 16.090 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.090 15.917 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.616 14.229 8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.421 13.850 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.841 12.627 8.881 1.00 0.00 H new ATOM 814 N ASN A 52 -2.395 12.698 9.882 1.00 0.00 N ATOM 815 CA ASN A 52 -3.830 12.575 9.911 1.00 0.00 C ATOM 816 C ASN A 52 -4.358 13.243 11.163 1.00 0.00 C ATOM 817 O ASN A 52 -5.322 14.001 11.117 1.00 0.00 O ATOM 818 CB ASN A 52 -4.205 11.099 9.930 1.00 0.00 C ATOM 819 CG ASN A 52 -5.712 10.937 9.973 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.350 10.893 8.933 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.320 10.850 11.123 1.00 0.00 N ATOM 0 H ASN A 52 -1.899 11.807 9.904 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.261 13.051 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.805 10.604 9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.756 10.614 10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.334 10.745 11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.782 10.887 11.989 1.00 0.00 H new ATOM 828 N ASP A 53 -3.693 12.952 12.282 1.00 0.00 N ATOM 829 CA ASP A 53 -4.075 13.528 13.558 1.00 0.00 C ATOM 830 C ASP A 53 -3.894 15.039 13.523 1.00 0.00 C ATOM 831 O ASP A 53 -4.735 15.789 14.016 1.00 0.00 O ATOM 832 CB ASP A 53 -3.247 12.923 14.693 1.00 0.00 C ATOM 833 CG ASP A 53 -3.621 13.568 16.027 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.636 13.184 16.586 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.891 14.442 16.466 1.00 0.00 O ATOM 0 H ASP A 53 -2.891 12.323 12.324 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.125 13.300 13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.416 11.847 14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.185 13.070 14.496 1.00 0.00 H new ATOM 840 N ALA A 54 -2.793 15.472 12.912 1.00 0.00 N ATOM 841 CA ALA A 54 -2.502 16.887 12.781 1.00 0.00 C ATOM 842 C ALA A 54 -3.578 17.544 11.923 1.00 0.00 C ATOM 843 O ALA A 54 -4.006 18.667 12.193 1.00 0.00 O ATOM 844 CB ALA A 54 -1.129 17.072 12.132 1.00 0.00 C ATOM 0 H ALA A 54 -2.090 14.857 12.501 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.492 17.353 13.766 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.913 18.136 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.367 16.602 12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.128 16.610 11.145 1.00 0.00 H new ATOM 850 N GLN A 55 -4.012 16.811 10.894 1.00 0.00 N ATOM 851 CA GLN A 55 -5.047 17.287 9.985 1.00 0.00 C ATOM 852 C GLN A 55 -6.443 16.906 10.493 1.00 0.00 C ATOM 853 O GLN A 55 -7.446 17.182 9.831 1.00 0.00 O ATOM 854 CB GLN A 55 -4.804 16.672 8.608 1.00 0.00 C ATOM 855 CG GLN A 55 -3.554 17.299 7.980 1.00 0.00 C ATOM 856 CD GLN A 55 -3.128 16.489 6.764 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.762 15.253 6.926 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.131 16.993 5.642 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.657 15.881 10.673 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.001 18.374 9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.677 15.593 8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.669 16.839 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.760 18.329 7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.745 17.330 8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.419 17.964 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.845 16.440 4.834 1.00 0.00 H new ATOM 867 N ALA A 56 -6.497 16.268 11.666 1.00 0.00 N ATOM 868 CA ALA A 56 -7.771 15.847 12.250 1.00 0.00 C ATOM 869 C ALA A 56 -8.541 17.042 12.801 1.00 0.00 C ATOM 870 O ALA A 56 -7.981 18.128 12.975 1.00 0.00 O ATOM 871 CB ALA A 56 -7.537 14.808 13.356 1.00 0.00 C ATOM 0 H ALA A 56 -5.677 16.033 12.226 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.369 15.391 11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.495 14.506 13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.035 13.937 12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.915 15.243 14.138 1.00 0.00 H new ATOM 877 N PRO A 57 -9.821 16.866 13.052 1.00 0.00 N ATOM 878 CA PRO A 57 -10.719 17.937 13.562 1.00 0.00 C ATOM 879 C PRO A 57 -10.598 18.119 15.075 1.00 0.00 C ATOM 880 O PRO A 57 -11.591 18.308 15.784 1.00 0.00 O ATOM 881 CB PRO A 57 -12.119 17.443 13.143 1.00 0.00 C ATOM 882 CG PRO A 57 -11.915 16.150 12.426 1.00 0.00 C ATOM 883 CD PRO A 57 -10.582 15.627 12.891 1.00 0.00 C ATOM 0 HA PRO A 57 -10.479 18.922 13.161 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.759 17.306 14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.610 18.171 12.498 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.714 15.445 12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.922 16.297 11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.663 15.071 13.825 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.127 14.958 12.161 1.00 0.00 H new ATOM 891 N LYS A 58 -9.361 18.061 15.543 1.00 0.00 N ATOM 892 CA LYS A 58 -9.055 18.218 16.967 1.00 0.00 C ATOM 893 C LYS A 58 -9.612 19.538 17.511 1.00 0.00 C ATOM 894 O LYS A 58 -10.205 19.515 18.576 1.00 0.00 O ATOM 895 CB LYS A 58 -7.546 18.178 17.181 1.00 0.00 C ATOM 896 CG LYS A 58 -6.979 16.844 16.677 1.00 0.00 C ATOM 897 CD LYS A 58 -5.504 16.711 17.078 1.00 0.00 C ATOM 898 CE LYS A 58 -4.657 17.759 16.339 1.00 0.00 C ATOM 899 NZ LYS A 58 -3.273 17.237 16.157 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.438 20.551 16.851 1.00 0.00 O ATOM 0 H LYS A 58 -8.542 17.905 14.956 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.526 17.396 17.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.074 19.006 16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.317 18.303 18.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.553 16.016 17.093 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.076 16.786 15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.399 16.842 18.155 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.144 15.710 16.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.102 17.986 15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.635 18.690 16.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.732 17.891 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.809 17.154 17.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.312 16.302 15.704 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -18.574 -7.197 5.086 1.00 0.00 N ATOM 916 CA VAL B 1 -18.688 -6.539 3.754 1.00 0.00 C ATOM 917 C VAL B 1 -17.457 -6.889 2.919 1.00 0.00 C ATOM 918 O VAL B 1 -17.580 -7.372 1.791 1.00 0.00 O ATOM 919 CB VAL B 1 -18.791 -5.013 3.940 1.00 0.00 C ATOM 920 CG1 VAL B 1 -18.980 -4.331 2.577 1.00 0.00 C ATOM 921 CG2 VAL B 1 -19.989 -4.681 4.843 1.00 0.00 C ATOM 0 H1 VAL B 1 -19.511 -7.532 5.389 1.00 0.00 H new ATOM 0 H2 VAL B 1 -17.922 -8.005 5.020 1.00 0.00 H new ATOM 0 H3 VAL B 1 -18.209 -6.514 5.780 1.00 0.00 H new ATOM 0 HA VAL B 1 -19.583 -6.890 3.240 1.00 0.00 H new ATOM 0 HB VAL B 1 -17.873 -4.650 4.402 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -19.052 -3.252 2.717 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -18.128 -4.558 1.935 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -19.894 -4.698 2.110 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -20.059 -3.601 4.972 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -20.905 -5.051 4.383 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -19.854 -5.155 5.815 1.00 0.00 H new ATOM 933 N ASP B 2 -16.274 -6.645 3.486 1.00 0.00 N ATOM 934 CA ASP B 2 -15.019 -6.937 2.798 1.00 0.00 C ATOM 935 C ASP B 2 -14.778 -8.443 2.722 1.00 0.00 C ATOM 936 O ASP B 2 -15.124 -9.185 3.643 1.00 0.00 O ATOM 937 CB ASP B 2 -13.849 -6.262 3.521 1.00 0.00 C ATOM 938 CG ASP B 2 -12.552 -6.478 2.738 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.403 -5.862 1.696 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.736 -7.268 3.182 1.00 0.00 O ATOM 0 H ASP B 2 -16.161 -6.247 4.418 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.090 -6.544 1.784 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -14.045 -5.195 3.629 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -13.748 -6.671 4.527 1.00 0.00 H new ATOM 945 N ASN B 3 -14.183 -8.877 1.610 1.00 0.00 N ATOM 946 CA ASN B 3 -13.888 -10.289 1.390 1.00 0.00 C ATOM 947 C ASN B 3 -12.877 -10.802 2.419 1.00 0.00 C ATOM 948 O ASN B 3 -12.278 -10.019 3.161 1.00 0.00 O ATOM 949 CB ASN B 3 -13.313 -10.480 -0.021 1.00 0.00 C ATOM 950 CG ASN B 3 -14.263 -9.900 -1.068 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.793 -9.110 -1.994 1.00 0.00 O flip ATOM 952 ND2 ASN B 3 -15.463 -10.169 -1.039 1.00 0.00 N flip ATOM 0 H ASN B 3 -13.896 -8.266 0.846 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.814 -10.854 1.497 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.341 -9.992 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.153 -11.541 -0.214 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.830 -10.787 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -16.091 -9.774 -1.739 1.00 0.00 H new ATOM 959 N LYS B 4 -12.676 -12.122 2.440 1.00 0.00 N ATOM 960 CA LYS B 4 -11.718 -12.736 3.365 1.00 0.00 C ATOM 961 C LYS B 4 -10.295 -12.277 3.045 1.00 0.00 C ATOM 962 O LYS B 4 -9.351 -12.571 3.780 1.00 0.00 O ATOM 963 CB LYS B 4 -11.801 -14.272 3.287 1.00 0.00 C ATOM 964 CG LYS B 4 -11.697 -14.745 1.821 1.00 0.00 C ATOM 965 CD LYS B 4 -10.529 -15.732 1.653 1.00 0.00 C ATOM 966 CE LYS B 4 -9.186 -14.984 1.667 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.241 -15.632 0.714 1.00 0.00 N ATOM 0 H LYS B 4 -13.160 -12.783 1.832 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.972 -12.420 4.377 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.999 -14.716 3.876 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.741 -14.614 3.720 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.630 -15.222 1.520 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.552 -13.886 1.165 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.550 -16.469 2.456 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.638 -16.278 0.716 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.337 -13.940 1.391 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.765 -14.991 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.313 -15.748 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.610 -16.564 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.139 -15.036 -0.132 1.00 0.00 H new ATOM 981 N PHE B 5 -10.163 -11.568 1.927 1.00 0.00 N ATOM 982 CA PHE B 5 -8.884 -11.067 1.464 1.00 0.00 C ATOM 983 C PHE B 5 -8.360 -9.922 2.314 1.00 0.00 C ATOM 984 O PHE B 5 -7.369 -9.329 1.963 1.00 0.00 O ATOM 985 CB PHE B 5 -9.014 -10.624 0.002 1.00 0.00 C ATOM 986 CG PHE B 5 -9.054 -11.857 -0.861 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.158 -12.711 -0.793 1.00 0.00 C ATOM 988 CD2 PHE B 5 -7.976 -12.164 -1.697 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.188 -13.873 -1.568 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.002 -13.329 -2.467 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.108 -14.182 -2.403 1.00 0.00 C ATOM 0 H PHE B 5 -10.946 -11.327 1.319 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.160 -11.878 1.551 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.919 -10.033 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.173 -9.990 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.987 -12.473 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.125 -11.501 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.043 -14.532 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.169 -13.571 -3.111 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.129 -15.082 -3.000 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.991 -9.622 3.444 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.477 -8.543 4.302 1.00 0.00 C ATOM 1003 C ASN B 6 -7.004 -8.807 4.617 1.00 0.00 C ATOM 1004 O ASN B 6 -6.190 -7.890 4.590 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.309 -8.423 5.595 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.269 -9.712 6.430 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.024 -10.862 5.865 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.474 -9.662 7.642 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.831 -10.088 3.785 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.562 -7.594 3.773 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.932 -7.593 6.192 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.343 -8.189 5.340 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.666 -8.766 8.090 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.452 -10.516 8.199 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.671 -10.077 4.850 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.294 -10.490 5.098 1.00 0.00 C ATOM 1017 C LYS B 7 -4.498 -10.478 3.790 1.00 0.00 C ATOM 1018 O LYS B 7 -3.385 -9.951 3.721 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.294 -11.910 5.689 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.855 -12.417 5.873 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.880 -13.871 6.364 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.450 -14.412 6.461 1.00 0.00 C ATOM 1023 NZ LYS B 7 -1.865 -14.523 5.093 1.00 0.00 N ATOM 0 H LYS B 7 -7.345 -10.842 4.872 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.829 -9.797 5.799 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.811 -11.911 6.648 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.842 -12.584 5.031 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.312 -12.350 4.930 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.327 -11.789 6.591 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.366 -13.927 7.338 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.465 -14.485 5.680 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.840 -13.750 7.076 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.451 -15.387 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.165 -15.292 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.620 -14.728 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.402 -13.627 4.840 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.090 -11.099 2.769 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.472 -11.224 1.446 1.00 0.00 C ATOM 1039 C GLU B 8 -4.277 -9.866 0.772 1.00 0.00 C ATOM 1040 O GLU B 8 -3.314 -9.659 0.030 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.374 -12.094 0.551 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.587 -13.484 1.181 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.254 -14.100 1.618 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.413 -14.320 0.760 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.088 -14.326 2.808 1.00 0.00 O ATOM 0 H GLU B 8 -6.012 -11.530 2.835 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.491 -11.680 1.579 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.336 -11.602 0.408 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.922 -12.201 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.252 -13.399 2.041 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.077 -14.141 0.463 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.215 -8.962 1.022 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.190 -7.631 0.436 1.00 0.00 C ATOM 1054 C ARG B 9 -3.936 -6.890 0.881 1.00 0.00 C ATOM 1055 O ARG B 9 -3.255 -6.278 0.065 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.427 -6.843 0.890 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.560 -5.539 0.089 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.023 -4.394 1.001 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.050 -4.844 1.939 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.243 -5.242 1.519 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.092 -4.374 1.050 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.560 -6.504 1.574 1.00 0.00 N ATOM 0 H ARG B 9 -6.012 -9.131 1.635 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.191 -7.724 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.322 -7.451 0.757 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.351 -6.617 1.954 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.603 -5.285 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.273 -5.676 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.171 -3.999 1.554 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.415 -3.578 0.394 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.844 -4.852 2.938 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.840 -3.387 1.005 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.010 -4.681 0.727 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.891 -7.182 1.939 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.477 -6.814 1.252 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.627 -6.963 2.183 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.438 -6.294 2.702 1.00 0.00 C ATOM 1078 C VAL B 10 -1.191 -6.881 2.048 1.00 0.00 C ATOM 1079 O VAL B 10 -0.259 -6.153 1.756 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.354 -6.294 4.260 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.696 -6.676 4.911 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.259 -7.230 4.768 1.00 0.00 C ATOM 0 H VAL B 10 -4.174 -7.469 2.879 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.509 -5.240 2.434 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.107 -5.272 4.549 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.591 -6.663 5.996 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.462 -5.961 4.612 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.986 -7.675 4.587 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.233 -7.202 5.857 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.467 -8.247 4.436 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.295 -6.910 4.373 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.179 -8.193 1.802 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.020 -8.810 1.157 1.00 0.00 C ATOM 1094 C ILE B 11 0.157 -8.235 -0.246 1.00 0.00 C ATOM 1095 O ILE B 11 1.284 -7.983 -0.672 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.143 -10.343 1.100 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.317 -10.887 2.539 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.132 -10.926 0.449 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.292 -12.289 2.688 1.00 0.00 C ATOM 0 H ILE B 11 -1.938 -8.834 2.033 1.00 0.00 H new ATOM 0 HA ILE B 11 0.861 -8.580 1.757 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.008 -10.635 0.505 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.157 -10.206 3.246 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.377 -10.921 2.791 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.054 -12.012 0.404 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.240 -10.528 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.003 -10.649 1.043 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.152 -12.640 3.710 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.200 -12.975 1.998 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.357 -12.249 2.461 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.960 -7.999 -0.953 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.891 -7.420 -2.288 1.00 0.00 C ATOM 1113 C ALA B 12 -0.338 -6.032 -2.189 1.00 0.00 C ATOM 1114 O ALA B 12 0.620 -5.716 -2.866 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.287 -7.364 -2.899 1.00 0.00 C ATOM 0 H ALA B 12 -1.904 -8.199 -0.622 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.248 -8.034 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.230 -6.930 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.696 -8.372 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.934 -6.750 -2.273 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.895 -5.244 -1.276 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.411 -3.889 -1.047 1.00 0.00 C ATOM 1123 C ILE B 13 1.056 -4.005 -0.698 1.00 0.00 C ATOM 1124 O ILE B 13 1.884 -3.246 -1.161 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.230 -3.260 0.102 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.696 -3.292 -0.294 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.857 -1.795 0.332 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.600 -3.071 0.909 1.00 0.00 C ATOM 0 H ILE B 13 -1.679 -5.519 -0.685 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.526 -3.248 -1.921 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.026 -3.824 1.012 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.889 -2.524 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.929 -4.252 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.456 -1.391 1.148 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.200 -1.725 0.588 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.049 -1.224 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.642 -3.100 0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.424 -3.855 1.646 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.383 -2.100 1.354 1.00 0.00 H new ATOM 1140 N GLY B 14 1.363 -5.023 0.073 1.00 0.00 N ATOM 1141 CA GLY B 14 2.727 -5.303 0.459 1.00 0.00 C ATOM 1142 C GLY B 14 3.610 -5.590 -0.744 1.00 0.00 C ATOM 1143 O GLY B 14 4.740 -5.127 -0.811 1.00 0.00 O ATOM 0 H GLY B 14 0.677 -5.678 0.449 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.130 -4.453 1.010 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.745 -6.158 1.134 1.00 0.00 H new ATOM 1147 N GLU B 15 3.092 -6.361 -1.693 1.00 0.00 N ATOM 1148 CA GLU B 15 3.859 -6.711 -2.871 1.00 0.00 C ATOM 1149 C GLU B 15 4.033 -5.502 -3.763 1.00 0.00 C ATOM 1150 O GLU B 15 5.128 -5.238 -4.253 1.00 0.00 O ATOM 1151 CB GLU B 15 3.131 -7.832 -3.616 1.00 0.00 C ATOM 1152 CG GLU B 15 4.026 -8.489 -4.685 1.00 0.00 C ATOM 1153 CD GLU B 15 5.459 -8.679 -4.178 1.00 0.00 C ATOM 1154 OE1 GLU B 15 5.673 -9.596 -3.401 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.317 -7.903 -4.569 1.00 0.00 O ATOM 0 H GLU B 15 2.150 -6.751 -1.666 1.00 0.00 H new ATOM 0 HA GLU B 15 4.851 -7.055 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.803 -8.588 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.235 -7.431 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.608 -9.455 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.036 -7.871 -5.583 1.00 0.00 H new ATOM 1162 N ILE B 16 2.942 -4.768 -3.959 1.00 0.00 N ATOM 1163 CA ILE B 16 2.989 -3.565 -4.812 1.00 0.00 C ATOM 1164 C ILE B 16 3.989 -2.574 -4.244 1.00 0.00 C ATOM 1165 O ILE B 16 4.900 -2.110 -4.932 1.00 0.00 O ATOM 1166 CB ILE B 16 1.617 -2.876 -4.853 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.519 -3.956 -4.803 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.513 -1.993 -6.111 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.538 -3.757 -5.843 1.00 0.00 C ATOM 0 H ILE B 16 2.029 -4.971 -3.553 1.00 0.00 H new ATOM 0 HA ILE B 16 3.278 -3.875 -5.816 1.00 0.00 H new ATOM 0 HB ILE B 16 1.488 -2.221 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.974 -4.937 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.056 -3.952 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.538 -1.507 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.296 -1.235 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.632 -2.612 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.284 -4.547 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.017 -2.789 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.084 -3.790 -6.834 1.00 0.00 H new ATOM 1181 N MET B 17 3.803 -2.291 -2.965 1.00 0.00 N ATOM 1182 CA MET B 17 4.669 -1.388 -2.223 1.00 0.00 C ATOM 1183 C MET B 17 6.115 -1.896 -2.246 1.00 0.00 C ATOM 1184 O MET B 17 7.054 -1.115 -2.091 1.00 0.00 O ATOM 1185 CB MET B 17 4.148 -1.263 -0.802 1.00 0.00 C ATOM 1186 CG MET B 17 2.727 -0.674 -0.829 1.00 0.00 C ATOM 1187 SD MET B 17 2.783 1.033 -1.375 1.00 0.00 S ATOM 1188 CE MET B 17 3.881 1.614 -0.084 1.00 0.00 C ATOM 0 H MET B 17 3.043 -2.683 -2.409 1.00 0.00 H new ATOM 0 HA MET B 17 4.663 -0.402 -2.688 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.140 -2.240 -0.319 1.00 0.00 H new ATOM 0 HB3 MET B 17 4.808 -0.623 -0.216 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.095 -1.258 -1.498 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.281 -0.733 0.164 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.442 2.486 0.402 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.027 0.824 0.652 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.842 1.887 -0.519 1.00 0.00 H new ATOM 1198 N ARG B 18 6.288 -3.204 -2.453 1.00 0.00 N ATOM 1199 CA ARG B 18 7.614 -3.797 -2.527 1.00 0.00 C ATOM 1200 C ARG B 18 8.200 -3.675 -3.935 1.00 0.00 C ATOM 1201 O ARG B 18 9.416 -3.542 -4.087 1.00 0.00 O ATOM 1202 CB ARG B 18 7.548 -5.250 -2.108 1.00 0.00 C ATOM 1203 CG ARG B 18 7.967 -5.350 -0.635 1.00 0.00 C ATOM 1204 CD ARG B 18 9.008 -6.438 -0.471 1.00 0.00 C ATOM 1205 NE ARG B 18 8.425 -7.575 0.224 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.229 -8.739 -0.386 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.597 -8.779 -1.524 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.660 -9.840 0.159 1.00 0.00 N ATOM 0 H ARG B 18 5.523 -3.868 -2.572 1.00 0.00 H new ATOM 0 HA ARG B 18 8.271 -3.255 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.538 -5.638 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.207 -5.855 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.369 -4.395 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.098 -5.569 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.380 -6.748 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.862 -6.056 0.089 1.00 0.00 H new ATOM 0 HE ARG B 18 8.160 -7.476 1.204 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.253 -7.917 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.446 -9.672 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.148 -9.809 1.054 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.510 -10.734 -0.309 1.00 0.00 H new ATOM 1222 N LEU B 19 7.333 -3.718 -4.961 1.00 0.00 N ATOM 1223 CA LEU B 19 7.794 -3.608 -6.352 1.00 0.00 C ATOM 1224 C LEU B 19 8.593 -2.318 -6.534 1.00 0.00 C ATOM 1225 O LEU B 19 8.035 -1.224 -6.444 1.00 0.00 O ATOM 1226 CB LEU B 19 6.613 -3.594 -7.335 1.00 0.00 C ATOM 1227 CG LEU B 19 5.899 -4.951 -7.394 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.589 -4.790 -8.164 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.765 -5.973 -8.117 1.00 0.00 C ATOM 0 H LEU B 19 6.324 -3.827 -4.855 1.00 0.00 H new ATOM 0 HA LEU B 19 8.418 -4.477 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.902 -2.823 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.972 -3.330 -8.330 1.00 0.00 H new ATOM 0 HG LEU B 19 5.708 -5.295 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.074 -5.750 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.955 -4.063 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.802 -4.442 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.246 -6.931 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.961 -5.630 -9.133 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.709 -6.091 -7.585 1.00 0.00 H new ATOM 1241 N PRO B 20 9.881 -2.423 -6.775 1.00 0.00 N ATOM 1242 CA PRO B 20 10.762 -1.240 -6.955 1.00 0.00 C ATOM 1243 C PRO B 20 10.634 -0.582 -8.332 1.00 0.00 C ATOM 1244 O PRO B 20 11.303 0.419 -8.598 1.00 0.00 O ATOM 1245 CB PRO B 20 12.180 -1.801 -6.751 1.00 0.00 C ATOM 1246 CG PRO B 20 12.045 -3.258 -6.457 1.00 0.00 C ATOM 1247 CD PRO B 20 10.656 -3.668 -6.907 1.00 0.00 C ATOM 0 HA PRO B 20 10.496 -0.448 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.787 -1.644 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.681 -1.288 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.807 -3.831 -6.985 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.180 -3.452 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.657 -4.035 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.249 -4.464 -6.284 1.00 0.00 H new ATOM 1255 N ASN B 21 9.791 -1.142 -9.210 1.00 0.00 N ATOM 1256 CA ASN B 21 9.622 -0.581 -10.548 1.00 0.00 C ATOM 1257 C ASN B 21 8.340 0.242 -10.643 1.00 0.00 C ATOM 1258 O ASN B 21 8.211 1.091 -11.527 1.00 0.00 O ATOM 1259 CB ASN B 21 9.605 -1.711 -11.578 1.00 0.00 C ATOM 1260 CG ASN B 21 10.920 -2.489 -11.559 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.954 -1.968 -11.139 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.939 -3.717 -11.994 1.00 0.00 N ATOM 0 H ASN B 21 9.226 -1.969 -9.018 1.00 0.00 H new ATOM 0 HA ASN B 21 10.460 0.085 -10.753 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.776 -2.386 -11.368 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.437 -1.299 -12.573 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.810 -4.247 -11.987 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.083 -4.148 -12.342 1.00 0.00 H new ATOM 1269 N LEU B 22 7.395 -0.004 -9.728 1.00 0.00 N ATOM 1270 CA LEU B 22 6.133 0.736 -9.731 1.00 0.00 C ATOM 1271 C LEU B 22 6.313 2.154 -9.213 1.00 0.00 C ATOM 1272 O LEU B 22 7.228 2.447 -8.442 1.00 0.00 O ATOM 1273 CB LEU B 22 5.070 0.049 -8.856 1.00 0.00 C ATOM 1274 CG LEU B 22 4.700 -1.331 -9.388 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.430 -1.822 -8.689 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.438 -1.238 -10.870 1.00 0.00 C ATOM 0 H LEU B 22 7.480 -0.700 -8.987 1.00 0.00 H new ATOM 0 HA LEU B 22 5.802 0.758 -10.769 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.444 -0.043 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.177 0.673 -8.813 1.00 0.00 H new ATOM 0 HG LEU B 22 5.518 -2.026 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.164 -2.809 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.606 -1.881 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.614 -1.126 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.173 -2.223 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.617 -0.544 -11.052 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.334 -0.880 -11.376 1.00 0.00 H new ATOM 1288 N ASN B 23 5.388 3.011 -9.623 1.00 0.00 N ATOM 1289 CA ASN B 23 5.364 4.398 -9.190 1.00 0.00 C ATOM 1290 C ASN B 23 4.520 4.461 -7.913 1.00 0.00 C ATOM 1291 O ASN B 23 3.647 3.618 -7.716 1.00 0.00 O ATOM 1292 CB ASN B 23 4.766 5.231 -10.361 1.00 0.00 C ATOM 1293 CG ASN B 23 3.782 6.315 -9.931 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.963 6.969 -8.923 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.740 6.553 -10.677 1.00 0.00 N ATOM 0 H ASN B 23 4.635 2.763 -10.264 1.00 0.00 H new ATOM 0 HA ASN B 23 6.349 4.803 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.583 5.698 -10.912 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.262 4.554 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.081 7.286 -10.414 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.584 6.007 -11.524 1.00 0.00 H new ATOM 1302 N SER B 24 4.763 5.456 -7.054 1.00 0.00 N ATOM 1303 CA SER B 24 3.989 5.575 -5.815 1.00 0.00 C ATOM 1304 C SER B 24 2.516 5.763 -6.156 1.00 0.00 C ATOM 1305 O SER B 24 1.641 5.149 -5.548 1.00 0.00 O ATOM 1306 CB SER B 24 4.503 6.748 -4.977 1.00 0.00 C ATOM 1307 OG SER B 24 4.449 7.938 -5.748 1.00 0.00 O ATOM 0 H SER B 24 5.473 6.176 -7.189 1.00 0.00 H new ATOM 0 HA SER B 24 4.105 4.664 -5.228 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.899 6.858 -4.076 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.526 6.557 -4.654 1.00 0.00 H new ATOM 0 HG SER B 24 4.454 7.711 -6.701 1.00 0.00 H new ATOM 1313 N LEU B 25 2.270 6.582 -7.175 1.00 0.00 N ATOM 1314 CA LEU B 25 0.925 6.825 -7.661 1.00 0.00 C ATOM 1315 C LEU B 25 0.391 5.578 -8.361 1.00 0.00 C ATOM 1316 O LEU B 25 -0.794 5.261 -8.250 1.00 0.00 O ATOM 1317 CB LEU B 25 0.904 8.025 -8.619 1.00 0.00 C ATOM 1318 CG LEU B 25 0.114 9.167 -8.006 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.144 10.386 -8.936 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.321 8.700 -7.792 1.00 0.00 C ATOM 0 H LEU B 25 2.995 7.090 -7.681 1.00 0.00 H new ATOM 0 HA LEU B 25 0.284 7.056 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.923 8.349 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.458 7.733 -9.570 1.00 0.00 H new ATOM 0 HG LEU B 25 0.554 9.456 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.426 11.200 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.176 10.704 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.297 10.121 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.905 9.508 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.758 8.417 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.328 7.841 -7.122 1.00 0.00 H new ATOM 1332 N GLN B 26 1.278 4.852 -9.060 1.00 0.00 N ATOM 1333 CA GLN B 26 0.859 3.615 -9.737 1.00 0.00 C ATOM 1334 C GLN B 26 0.418 2.612 -8.688 1.00 0.00 C ATOM 1335 O GLN B 26 -0.564 1.892 -8.853 1.00 0.00 O ATOM 1336 CB GLN B 26 2.022 2.990 -10.510 1.00 0.00 C ATOM 1337 CG GLN B 26 1.972 3.353 -12.000 1.00 0.00 C ATOM 1338 CD GLN B 26 3.184 2.758 -12.711 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.010 1.997 -12.046 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.377 2.983 -13.904 1.00 0.00 N flip ATOM 0 H GLN B 26 2.263 5.091 -9.170 1.00 0.00 H new ATOM 0 HA GLN B 26 0.053 3.860 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.966 3.329 -10.084 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.993 1.906 -10.398 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.053 2.974 -12.447 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.962 4.436 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.730 3.578 -14.422 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.184 2.575 -14.376 1.00 0.00 H new ATOM 1349 N VAL B 27 1.171 2.599 -7.602 1.00 0.00 N ATOM 1350 CA VAL B 27 0.911 1.725 -6.483 1.00 0.00 C ATOM 1351 C VAL B 27 -0.424 2.091 -5.870 1.00 0.00 C ATOM 1352 O VAL B 27 -1.234 1.217 -5.594 1.00 0.00 O ATOM 1353 CB VAL B 27 2.086 1.826 -5.503 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.764 1.139 -4.177 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.301 1.142 -6.151 1.00 0.00 C ATOM 0 H VAL B 27 1.985 3.201 -7.476 1.00 0.00 H new ATOM 0 HA VAL B 27 0.837 0.682 -6.790 1.00 0.00 H new ATOM 0 HB VAL B 27 2.290 2.876 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.617 1.228 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.893 1.613 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.552 0.085 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.154 1.199 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.066 0.097 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.546 1.645 -7.087 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.679 3.389 -5.739 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.954 3.861 -5.240 1.00 0.00 C ATOM 1367 C VAL B 28 -3.055 3.397 -6.197 1.00 0.00 C ATOM 1368 O VAL B 28 -4.161 3.075 -5.774 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.953 5.393 -5.139 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.328 5.870 -4.657 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.866 5.855 -4.152 1.00 0.00 C ATOM 0 H VAL B 28 -0.016 4.128 -5.973 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.132 3.455 -4.244 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.742 5.819 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.331 6.958 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.093 5.552 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.540 5.440 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.873 6.943 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.065 5.431 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.110 5.518 -4.502 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.724 3.350 -7.492 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.665 2.912 -8.515 1.00 0.00 C ATOM 1383 C ALA B 29 -4.116 1.497 -8.202 1.00 0.00 C ATOM 1384 O ALA B 29 -5.306 1.172 -8.252 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.968 2.937 -9.887 1.00 0.00 C ATOM 0 H ALA B 29 -1.806 3.612 -7.852 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.529 3.576 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.667 2.610 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.634 3.951 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.108 2.268 -9.870 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.137 0.671 -7.856 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.380 -0.698 -7.515 1.00 0.00 C ATOM 1393 C PHE B 30 -4.038 -0.801 -6.139 1.00 0.00 C ATOM 1394 O PHE B 30 -5.003 -1.536 -5.981 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.044 -1.453 -7.562 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.502 -1.444 -8.989 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.277 -1.943 -10.056 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.229 -0.902 -9.257 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.782 -1.892 -11.357 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.253 -0.864 -10.561 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.523 -1.355 -11.611 1.00 0.00 C ATOM 0 H PHE B 30 -2.156 0.945 -7.808 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.070 -1.147 -8.229 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.327 -0.986 -6.887 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.182 -2.479 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.253 -2.364 -9.865 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.373 -0.515 -8.448 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.378 -2.271 -12.174 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.231 -0.453 -10.761 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.146 -1.318 -12.623 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.543 -0.034 -5.157 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.123 -0.061 -3.810 1.00 0.00 C ATOM 1413 C ILE B 31 -5.597 0.316 -3.882 1.00 0.00 C ATOM 1414 O ILE B 31 -6.457 -0.373 -3.334 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.378 0.916 -2.879 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.917 0.466 -2.697 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.061 0.935 -1.506 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.093 1.613 -2.092 1.00 0.00 C ATOM 0 H ILE B 31 -2.754 0.603 -5.268 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.023 -1.068 -3.405 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.400 1.910 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.874 -0.408 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.495 0.170 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.535 1.626 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.096 1.259 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.039 -0.066 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.060 1.291 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.125 2.475 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.509 1.888 -1.123 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.871 1.399 -4.589 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.229 1.871 -4.774 1.00 0.00 C ATOM 1432 C ASN B 32 -8.092 0.804 -5.452 1.00 0.00 C ATOM 1433 O ASN B 32 -9.298 0.742 -5.216 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.209 3.140 -5.626 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.573 3.819 -5.636 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.398 3.607 -4.745 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.851 4.635 -6.604 1.00 0.00 N ATOM 0 H ASN B 32 -5.162 1.971 -5.048 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.661 2.087 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.459 3.830 -5.238 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.916 2.892 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.756 5.105 -6.631 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.165 4.807 -7.339 1.00 0.00 H new ATOM 1444 N SER B 33 -7.470 -0.041 -6.288 1.00 0.00 N ATOM 1445 CA SER B 33 -8.194 -1.086 -6.970 1.00 0.00 C ATOM 1446 C SER B 33 -8.504 -2.216 -5.998 1.00 0.00 C ATOM 1447 O SER B 33 -9.527 -2.877 -6.130 1.00 0.00 O ATOM 1448 CB SER B 33 -7.425 -1.549 -8.193 1.00 0.00 C ATOM 1449 OG SER B 33 -7.717 -0.685 -9.285 1.00 0.00 O ATOM 0 H SER B 33 -6.472 -0.009 -6.497 1.00 0.00 H new ATOM 0 HA SER B 33 -9.148 -0.703 -7.332 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.355 -1.545 -7.987 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.698 -2.574 -8.442 1.00 0.00 H new ATOM 0 HG SER B 33 -7.101 0.077 -9.273 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.645 -2.400 -4.980 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.917 -3.417 -3.958 1.00 0.00 C ATOM 1457 C LEU B 34 -9.198 -2.976 -3.267 1.00 0.00 C ATOM 1458 O LEU B 34 -10.120 -3.759 -3.041 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.795 -3.491 -2.911 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.421 -3.470 -3.583 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.336 -3.561 -2.543 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.270 -4.644 -4.510 1.00 0.00 C ATOM 0 H LEU B 34 -6.782 -1.873 -4.847 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.994 -4.401 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.880 -2.652 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.902 -4.401 -2.321 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.337 -2.538 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.362 -3.545 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.414 -2.714 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.446 -4.489 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.287 -4.613 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.373 -5.570 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.041 -4.601 -5.280 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.232 -1.669 -2.997 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.396 -1.014 -2.394 1.00 0.00 C ATOM 1476 C ARG B 35 -11.617 -1.264 -3.275 1.00 0.00 C ATOM 1477 O ARG B 35 -12.695 -1.617 -2.793 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.130 0.507 -2.335 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.166 1.041 -0.893 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.873 1.811 -0.589 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.611 1.819 0.846 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.412 2.459 1.690 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.220 3.723 1.938 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.385 1.819 2.272 1.00 0.00 N ATOM 0 H ARG B 35 -8.456 -1.036 -3.189 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.571 -1.408 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.158 0.723 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.876 1.029 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.028 1.694 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.280 0.214 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.036 1.351 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.957 2.834 -0.955 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.797 1.323 1.208 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.454 4.221 1.484 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.835 4.215 2.586 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.531 0.828 2.079 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.001 2.309 2.921 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.409 -1.074 -4.576 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.449 -1.265 -5.578 1.00 0.00 C ATOM 1500 C ASP B 36 -12.865 -2.734 -5.672 1.00 0.00 C ATOM 1501 O ASP B 36 -14.044 -3.046 -5.853 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.914 -0.789 -6.940 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.609 0.719 -6.927 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.181 1.431 -6.113 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.796 1.140 -7.734 1.00 0.00 O ATOM 0 H ASP B 36 -10.512 -0.783 -4.963 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.327 -0.687 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.009 -1.343 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.647 -1.007 -7.717 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.878 -3.625 -5.559 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.118 -5.069 -5.646 1.00 0.00 C ATOM 1512 C ASP B 37 -11.117 -5.823 -4.776 1.00 0.00 C ATOM 1513 O ASP B 37 -9.990 -6.104 -5.200 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.021 -5.559 -7.108 1.00 0.00 C ATOM 1515 CG ASP B 37 -12.160 -4.398 -8.096 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -11.149 -3.788 -8.409 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.272 -4.135 -8.522 1.00 0.00 O ATOM 0 H ASP B 37 -10.902 -3.372 -5.407 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.127 -5.267 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.065 -6.059 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.801 -6.297 -7.299 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.504 -6.149 -3.567 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.627 -6.882 -2.623 1.00 0.00 C ATOM 1524 C PRO B 38 -10.398 -8.330 -3.046 1.00 0.00 C ATOM 1525 O PRO B 38 -9.335 -8.902 -2.790 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.350 -6.818 -1.283 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.613 -6.040 -1.480 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.820 -5.858 -2.977 1.00 0.00 C ATOM 0 HA PRO B 38 -9.634 -6.435 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.572 -7.822 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.721 -6.340 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.459 -6.567 -1.039 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.547 -5.072 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.585 -6.535 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.146 -4.845 -3.213 1.00 0.00 H new ATOM 1536 N SER B 39 -11.401 -8.913 -3.705 1.00 0.00 N ATOM 1537 CA SER B 39 -11.304 -10.287 -4.174 1.00 0.00 C ATOM 1538 C SER B 39 -10.242 -10.376 -5.256 1.00 0.00 C ATOM 1539 O SER B 39 -9.529 -11.376 -5.362 1.00 0.00 O ATOM 1540 CB SER B 39 -12.654 -10.753 -4.727 1.00 0.00 C ATOM 1541 OG SER B 39 -13.018 -9.941 -5.838 1.00 0.00 O ATOM 0 H SER B 39 -12.285 -8.453 -3.923 1.00 0.00 H new ATOM 0 HA SER B 39 -11.028 -10.932 -3.340 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.593 -11.798 -5.031 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.418 -10.691 -3.952 1.00 0.00 H new ATOM 0 HG SER B 39 -13.881 -10.240 -6.193 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.142 -9.306 -6.051 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.166 -9.243 -7.121 1.00 0.00 C ATOM 1549 C GLN B 40 -7.958 -8.425 -6.704 1.00 0.00 C ATOM 1550 O GLN B 40 -7.217 -7.948 -7.557 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.771 -8.669 -8.414 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.308 -8.688 -8.375 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.867 -7.968 -9.597 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.380 -6.806 -9.928 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.763 -8.478 -10.268 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.729 -8.476 -5.966 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.848 -10.266 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.422 -7.646 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.421 -9.248 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.667 -9.717 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.663 -8.206 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.142 -9.388 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.127 -7.991 -11.087 1.00 0.00 H new ATOM 1564 N SER B 41 -7.733 -8.273 -5.391 1.00 0.00 N ATOM 1565 CA SER B 41 -6.575 -7.524 -4.932 1.00 0.00 C ATOM 1566 C SER B 41 -5.319 -8.105 -5.564 1.00 0.00 C ATOM 1567 O SER B 41 -4.362 -7.394 -5.856 1.00 0.00 O ATOM 1568 CB SER B 41 -6.470 -7.617 -3.407 1.00 0.00 C ATOM 1569 OG SER B 41 -7.470 -6.806 -2.815 1.00 0.00 O ATOM 0 H SER B 41 -8.326 -8.651 -4.652 1.00 0.00 H new ATOM 0 HA SER B 41 -6.681 -6.478 -5.221 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.589 -8.652 -3.086 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.482 -7.293 -3.079 1.00 0.00 H new ATOM 0 HG SER B 41 -7.947 -7.322 -2.132 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.375 -9.409 -5.786 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.297 -10.155 -6.408 1.00 0.00 C ATOM 1577 C ALA B 42 -4.215 -9.859 -7.909 1.00 0.00 C ATOM 1578 O ALA B 42 -3.158 -10.007 -8.515 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.568 -11.645 -6.216 1.00 0.00 C ATOM 0 H ALA B 42 -6.180 -9.984 -5.536 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.354 -9.863 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.767 -12.223 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.612 -11.872 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.518 -11.905 -6.682 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.361 -9.484 -8.490 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.474 -9.208 -9.920 1.00 0.00 C ATOM 1587 C ASN B 43 -4.763 -7.938 -10.328 1.00 0.00 C ATOM 1588 O ASN B 43 -3.934 -7.945 -11.233 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.933 -9.058 -10.261 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.137 -9.050 -11.774 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.368 -7.995 -12.364 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.062 -10.168 -12.441 1.00 0.00 N ATOM 0 H ASN B 43 -6.235 -9.364 -7.978 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.009 -10.037 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.501 -9.876 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.318 -8.133 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.195 -10.168 -13.452 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.870 -11.042 -11.951 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.088 -6.844 -9.655 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.456 -5.593 -9.957 1.00 0.00 C ATOM 1601 C LEU B 44 -3.048 -5.639 -9.389 1.00 0.00 C ATOM 1602 O LEU B 44 -2.129 -5.029 -9.918 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.322 -4.375 -9.554 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.491 -4.181 -8.060 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.407 -5.244 -7.499 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.161 -4.146 -7.342 1.00 0.00 C ATOM 0 H LEU B 44 -5.780 -6.808 -8.906 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.363 -5.445 -11.033 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.875 -3.474 -9.975 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.308 -4.483 -10.006 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.954 -3.209 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.522 -5.096 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.382 -5.175 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.979 -6.229 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.328 -4.005 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.634 -5.086 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.561 -3.321 -7.727 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.871 -6.457 -8.345 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.551 -6.680 -7.792 1.00 0.00 C ATOM 1620 C LEU B 45 -0.774 -7.354 -8.901 1.00 0.00 C ATOM 1621 O LEU B 45 0.407 -7.101 -9.122 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.626 -7.608 -6.570 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.309 -8.387 -6.394 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.842 -7.409 -6.159 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.429 -9.354 -5.210 1.00 0.00 C ATOM 0 H LEU B 45 -3.622 -6.965 -7.878 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.088 -5.751 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.829 -7.021 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.454 -8.307 -6.688 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.108 -8.961 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.772 -7.964 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.931 -6.739 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.645 -6.825 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.506 -9.902 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.638 -8.791 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.241 -10.058 -5.396 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.508 -8.195 -9.621 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.956 -8.900 -10.755 1.00 0.00 C ATOM 1639 C ALA B 46 -0.564 -7.855 -11.785 1.00 0.00 C ATOM 1640 O ALA B 46 0.532 -7.883 -12.337 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.999 -9.866 -11.341 1.00 0.00 C ATOM 0 H ALA B 46 -2.489 -8.401 -9.433 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.090 -9.491 -10.459 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.570 -10.391 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.292 -10.590 -10.581 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.875 -9.303 -11.664 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.473 -6.897 -11.977 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.250 -5.786 -12.884 1.00 0.00 C ATOM 1649 C GLU B 47 -0.039 -4.985 -12.424 1.00 0.00 C ATOM 1650 O GLU B 47 0.679 -4.411 -13.237 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.465 -4.840 -12.898 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.710 -5.518 -13.467 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.453 -6.083 -14.867 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.963 -5.348 -15.710 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.754 -7.247 -15.073 1.00 0.00 O ATOM 0 H GLU B 47 -2.378 -6.876 -11.507 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.090 -6.194 -13.882 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.670 -4.498 -11.884 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.230 -3.956 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.024 -6.322 -12.801 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.529 -4.800 -13.508 1.00 0.00 H new ATOM 1662 N ALA B 48 0.149 -4.931 -11.104 1.00 0.00 N ATOM 1663 CA ALA B 48 1.236 -4.178 -10.513 1.00 0.00 C ATOM 1664 C ALA B 48 2.557 -4.860 -10.727 1.00 0.00 C ATOM 1665 O ALA B 48 3.510 -4.253 -11.178 1.00 0.00 O ATOM 1666 CB ALA B 48 0.988 -4.115 -9.024 1.00 0.00 C ATOM 0 H ALA B 48 -0.447 -5.407 -10.427 1.00 0.00 H new ATOM 0 HA ALA B 48 1.273 -3.191 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.790 -3.553 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.035 -3.621 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.960 -5.126 -8.617 1.00 0.00 H new ATOM 1672 N LYS B 49 2.585 -6.136 -10.419 1.00 0.00 N ATOM 1673 CA LYS B 49 3.784 -6.927 -10.605 1.00 0.00 C ATOM 1674 C LYS B 49 4.134 -6.912 -12.089 1.00 0.00 C ATOM 1675 O LYS B 49 5.303 -6.863 -12.465 1.00 0.00 O ATOM 1676 CB LYS B 49 3.530 -8.335 -10.074 1.00 0.00 C ATOM 1677 CG LYS B 49 3.594 -8.335 -8.543 1.00 0.00 C ATOM 1678 CD LYS B 49 3.574 -9.782 -8.026 1.00 0.00 C ATOM 1679 CE LYS B 49 2.179 -10.398 -8.212 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.672 -10.880 -6.896 1.00 0.00 N ATOM 0 H LYS B 49 1.791 -6.651 -10.038 1.00 0.00 H new ATOM 0 HA LYS B 49 4.632 -6.520 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.553 -8.687 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.272 -9.024 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.500 -7.831 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.750 -7.780 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.315 -10.376 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.850 -9.802 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.495 -9.659 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.226 -11.224 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.635 -10.947 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.074 -11.817 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.953 -10.212 -6.150 1.00 0.00 H new ATOM 1694 N LYS B 50 3.087 -6.877 -12.915 1.00 0.00 N ATOM 1695 CA LYS B 50 3.244 -6.778 -14.362 1.00 0.00 C ATOM 1696 C LYS B 50 3.729 -5.387 -14.741 1.00 0.00 C ATOM 1697 O LYS B 50 4.564 -5.242 -15.623 1.00 0.00 O ATOM 1698 CB LYS B 50 1.929 -7.065 -15.077 1.00 0.00 C ATOM 1699 CG LYS B 50 1.671 -8.581 -15.106 1.00 0.00 C ATOM 1700 CD LYS B 50 0.522 -8.901 -16.074 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.803 -8.355 -15.529 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.935 -8.989 -16.262 1.00 0.00 N ATOM 0 H LYS B 50 2.117 -6.916 -12.602 1.00 0.00 H new ATOM 0 HA LYS B 50 3.979 -7.521 -14.671 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.110 -6.557 -14.568 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.964 -6.673 -16.094 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.575 -9.106 -15.415 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.423 -8.935 -14.105 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.729 -8.464 -17.051 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.447 -9.979 -16.216 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.884 -8.563 -14.462 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.839 -7.272 -15.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.826 -8.525 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.787 -8.885 -17.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.983 -9.999 -16.020 1.00 0.00 H new ATOM 1716 N LEU B 51 3.202 -4.366 -14.061 1.00 0.00 N ATOM 1717 CA LEU B 51 3.610 -2.988 -14.332 1.00 0.00 C ATOM 1718 C LEU B 51 5.040 -2.815 -13.915 1.00 0.00 C ATOM 1719 O LEU B 51 5.844 -2.189 -14.604 1.00 0.00 O ATOM 1720 CB LEU B 51 2.724 -1.998 -13.572 1.00 0.00 C ATOM 1721 CG LEU B 51 1.826 -1.258 -14.555 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.688 -0.288 -15.376 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.109 -2.271 -15.472 1.00 0.00 C ATOM 0 H LEU B 51 2.500 -4.466 -13.328 1.00 0.00 H new ATOM 0 HA LEU B 51 3.504 -2.788 -15.398 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.117 -2.527 -12.837 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.342 -1.288 -13.023 1.00 0.00 H new ATOM 0 HG LEU B 51 1.065 -0.692 -14.019 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.057 0.249 -16.084 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.171 0.425 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.449 -0.848 -15.920 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.468 -1.737 -16.173 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.850 -2.849 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.502 -2.944 -14.866 1.00 0.00 H new ATOM 1735 N ASN B 52 5.348 -3.438 -12.798 1.00 0.00 N ATOM 1736 CA ASN B 52 6.683 -3.443 -12.276 1.00 0.00 C ATOM 1737 C ASN B 52 7.555 -4.075 -13.331 1.00 0.00 C ATOM 1738 O ASN B 52 8.633 -3.587 -13.670 1.00 0.00 O ATOM 1739 CB ASN B 52 6.689 -4.282 -11.002 1.00 0.00 C ATOM 1740 CG ASN B 52 8.063 -4.865 -10.735 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.822 -4.271 -9.889 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.442 -5.888 -11.305 1.00 0.00 N flip ATOM 0 H ASN B 52 4.674 -3.953 -12.231 1.00 0.00 H new ATOM 0 HA ASN B 52 7.045 -2.442 -12.039 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.382 -3.666 -10.157 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.960 -5.088 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.831 -6.354 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.367 -6.270 -11.106 1.00 0.00 H new ATOM 1749 N ASP B 53 7.017 -5.158 -13.862 1.00 0.00 N ATOM 1750 CA ASP B 53 7.678 -5.896 -14.929 1.00 0.00 C ATOM 1751 C ASP B 53 7.774 -5.017 -16.178 1.00 0.00 C ATOM 1752 O ASP B 53 8.750 -5.080 -16.927 1.00 0.00 O ATOM 1753 CB ASP B 53 6.901 -7.175 -15.263 1.00 0.00 C ATOM 1754 CG ASP B 53 7.825 -8.186 -15.939 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.044 -8.057 -17.133 1.00 0.00 O ATOM 1756 OD2 ASP B 53 8.307 -9.070 -15.250 1.00 0.00 O ATOM 0 H ASP B 53 6.121 -5.549 -13.572 1.00 0.00 H new ATOM 0 HA ASP B 53 8.678 -6.171 -14.594 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.483 -7.604 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.063 -6.940 -15.919 1.00 0.00 H new ATOM 1761 N ALA B 54 6.734 -4.203 -16.383 1.00 0.00 N ATOM 1762 CA ALA B 54 6.660 -3.305 -17.529 1.00 0.00 C ATOM 1763 C ALA B 54 7.727 -2.220 -17.440 1.00 0.00 C ATOM 1764 O ALA B 54 8.331 -1.848 -18.449 1.00 0.00 O ATOM 1765 CB ALA B 54 5.271 -2.664 -17.578 1.00 0.00 C ATOM 0 H ALA B 54 5.927 -4.151 -15.761 1.00 0.00 H new ATOM 0 HA ALA B 54 6.835 -3.881 -18.438 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.211 -1.991 -18.434 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.514 -3.443 -17.674 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.098 -2.101 -16.661 1.00 0.00 H new ATOM 1771 N GLN B 55 7.956 -1.721 -16.224 1.00 0.00 N ATOM 1772 CA GLN B 55 8.955 -0.681 -16.000 1.00 0.00 C ATOM 1773 C GLN B 55 10.330 -1.284 -15.726 1.00 0.00 C ATOM 1774 O GLN B 55 11.327 -0.563 -15.646 1.00 0.00 O ATOM 1775 CB GLN B 55 8.517 0.171 -14.827 1.00 0.00 C ATOM 1776 CG GLN B 55 7.245 0.934 -15.195 1.00 0.00 C ATOM 1777 CD GLN B 55 6.431 1.194 -13.942 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.983 0.178 -13.261 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.204 2.343 -13.567 1.00 0.00 N flip ATOM 0 H GLN B 55 7.463 -2.021 -15.383 1.00 0.00 H new ATOM 0 HA GLN B 55 9.037 -0.069 -16.898 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.337 -0.458 -13.955 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.308 0.871 -14.557 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.501 1.877 -15.678 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.657 0.359 -15.911 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.558 3.134 -14.105 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.662 2.505 -12.718 1.00 0.00 H new ATOM 1788 N ALA B 56 10.373 -2.611 -15.587 1.00 0.00 N ATOM 1789 CA ALA B 56 11.632 -3.313 -15.327 1.00 0.00 C ATOM 1790 C ALA B 56 12.572 -3.208 -16.521 1.00 0.00 C ATOM 1791 O ALA B 56 12.187 -2.728 -17.590 1.00 0.00 O ATOM 1792 CB ALA B 56 11.372 -4.787 -15.004 1.00 0.00 C ATOM 0 H ALA B 56 9.556 -3.218 -15.650 1.00 0.00 H new ATOM 0 HA ALA B 56 12.104 -2.838 -14.467 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.320 -5.291 -14.814 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.739 -4.860 -14.120 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.872 -5.262 -15.848 1.00 0.00 H new ATOM 1798 N PRO B 57 13.803 -3.626 -16.345 1.00 0.00 N ATOM 1799 CA PRO B 57 14.843 -3.561 -17.403 1.00 0.00 C ATOM 1800 C PRO B 57 14.714 -4.686 -18.428 1.00 0.00 C ATOM 1801 O PRO B 57 15.704 -5.271 -18.873 1.00 0.00 O ATOM 1802 CB PRO B 57 16.165 -3.641 -16.619 1.00 0.00 C ATOM 1803 CG PRO B 57 15.802 -3.766 -15.174 1.00 0.00 C ATOM 1804 CD PRO B 57 14.355 -4.209 -15.119 1.00 0.00 C ATOM 0 HA PRO B 57 14.762 -2.655 -18.003 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.757 -4.497 -16.945 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.771 -2.751 -16.790 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.446 -4.490 -14.676 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.934 -2.814 -14.659 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.262 -5.295 -15.108 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.849 -3.837 -14.228 1.00 0.00 H new ATOM 1812 N LYS B 58 13.476 -4.964 -18.796 1.00 0.00 N ATOM 1813 CA LYS B 58 13.177 -6.006 -19.771 1.00 0.00 C ATOM 1814 C LYS B 58 13.583 -5.565 -21.180 1.00 0.00 C ATOM 1815 O LYS B 58 14.101 -6.393 -21.912 1.00 0.00 O ATOM 1816 CB LYS B 58 11.687 -6.337 -19.747 1.00 0.00 C ATOM 1817 CG LYS B 58 11.180 -6.492 -18.303 1.00 0.00 C ATOM 1818 CD LYS B 58 12.100 -7.437 -17.512 1.00 0.00 C ATOM 1819 CE LYS B 58 11.344 -8.022 -16.313 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.679 -9.290 -16.723 1.00 0.00 N ATOM 1821 OXT LYS B 58 13.370 -4.407 -21.506 1.00 0.00 O ATOM 0 H LYS B 58 12.654 -4.481 -18.433 1.00 0.00 H new ATOM 0 HA LYS B 58 13.749 -6.895 -19.504 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.127 -5.548 -20.250 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.507 -7.259 -20.300 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.144 -5.517 -17.817 1.00 0.00 H new ATOM 0 HG3 LYS B 58 10.163 -6.884 -18.308 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.452 -8.241 -18.158 1.00 0.00 H new ATOM 0 HD3 LYS B 58 12.982 -6.896 -17.168 1.00 0.00 H new ATOM 0 HE2 LYS B 58 12.033 -8.209 -15.490 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.603 -7.309 -15.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 9.881 -9.485 -16.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 10.329 -9.199 -17.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 11.362 -10.073 -16.672 1.00 0.00 H new TER 1835 LYS B 58