USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1114 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 23 MET CE :methyl 148:sc= -2.4 (180deg=-4.65!) USER MOD Set 1.2: B 42 HIS : no HD1:sc= -0.535 K(o=-2.9,f=-6.2!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= -0.187 USER MOD Set 2.2: B 4 LYS NZ :NH3+ -113:sc= 0.623 (180deg=-1.28) USER MOD Set 3.1: A 55 MET CE :methyl -170:sc= -0.241 (180deg=-0.26) USER MOD Set 3.2: B 44 CYS SG : rot 84:sc= 0.341 USER MOD Set 4.1: A 44 CYS SG : rot 78:sc= 0.151 USER MOD Set 4.2: B 55 MET CE :methyl -166:sc= -0.62 (180deg=-0.949) USER MOD Set 5.1: A 23 MET CE :methyl 160:sc= -2.87 (180deg=-3.11!) USER MOD Set 5.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 42 HIS : no HD1:sc= -1.12 X(o=-4,f=-4) USER MOD Set 6.1: A 4 LYS NZ :NH3+ 140:sc= 1.08 (180deg=-0.889) USER MOD Set 6.2: B 26 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 3 SER OG : rot 27:sc= 0.141 USER MOD Single : A 9 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.24) USER MOD Single : A 16 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.02) USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.37 USER MOD Single : A 25 MET CE :methyl -165:sc= -0.433 (180deg=-0.605) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0521 K(o=-0.052,f=-7.3!) USER MOD Single : A 33 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.8!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc=-0.00388 (180deg=-0.15) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 12:sc= 0.173 USER MOD Single : A 57 THR OG1 : rot 57:sc= 0.708 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 9 GLN : amide:sc= -1.29! X(o=-1.3!,f=-1.4) USER MOD Single : B 16 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : B 25 MET CE :methyl -133:sc= -0.126 (180deg=-1.28) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 32 ASN : amide:sc= -0.726 X(o=-0.73,f=-1.2) USER MOD Single : B 33 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : B 40 ASN : amide:sc= -0.121 K(o=-0.12,f=-1) USER MOD Single : B 46 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.7!) USER MOD Single : B 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.012) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -14:sc= 0.629 USER MOD Single : B 57 THR OG1 : rot 63:sc= 0.552 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.06) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 145:sc= 2.09 (180deg=-0.0481) USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 3 -16.624 -10.423 2.552 1.00 0.51 N ATOM 52 CA SER A 3 -17.420 -9.296 2.085 1.00 0.45 C ATOM 53 C SER A 3 -16.551 -8.058 1.872 1.00 0.34 C ATOM 54 O SER A 3 -15.381 -8.051 2.251 1.00 0.30 O ATOM 55 CB SER A 3 -18.531 -8.987 3.093 1.00 0.50 C ATOM 56 OG SER A 3 -19.302 -10.147 3.371 1.00 0.72 O ATOM 0 HA SER A 3 -17.865 -9.568 1.128 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.094 -8.606 4.016 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.177 -8.202 2.699 1.00 0.50 H new ATOM 0 HG SER A 3 -18.754 -10.946 3.227 1.00 0.72 H new ATOM 62 N LYS A 4 -17.123 -7.017 1.280 1.00 0.32 N ATOM 63 CA LYS A 4 -16.380 -5.789 0.984 1.00 0.28 C ATOM 64 C LYS A 4 -15.696 -5.246 2.236 1.00 0.22 C ATOM 65 O LYS A 4 -14.556 -4.793 2.183 1.00 0.22 O ATOM 66 CB LYS A 4 -17.310 -4.707 0.427 1.00 0.36 C ATOM 67 CG LYS A 4 -18.517 -5.237 -0.326 1.00 0.88 C ATOM 68 CD LYS A 4 -19.375 -4.103 -0.852 1.00 0.88 C ATOM 69 CE LYS A 4 -19.080 -3.821 -2.308 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.496 -4.962 -3.168 1.00 1.69 N ATOM 0 H LYS A 4 -18.102 -6.995 0.993 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.626 -6.043 0.239 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -17.657 -4.085 1.252 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.737 -4.062 -0.239 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -18.186 -5.861 -1.156 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -19.111 -5.871 0.333 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -20.429 -4.357 -0.735 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.196 -3.204 -0.262 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -19.603 -2.917 -2.620 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -18.014 -3.634 -2.437 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.927 -4.599 -4.042 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -18.664 -5.539 -3.406 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.189 -5.547 -2.658 1.00 1.69 H new ATOM 84 N LEU A 5 -16.399 -5.305 3.360 1.00 0.22 N ATOM 85 CA LEU A 5 -15.874 -4.786 4.613 1.00 0.22 C ATOM 86 C LEU A 5 -14.741 -5.657 5.129 1.00 0.22 C ATOM 87 O LEU A 5 -13.774 -5.155 5.698 1.00 0.24 O ATOM 88 CB LEU A 5 -16.996 -4.637 5.642 1.00 0.25 C ATOM 89 CG LEU A 5 -16.579 -4.185 7.038 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.639 -3.271 7.625 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.368 -5.378 7.957 1.00 0.34 C ATOM 0 H LEU A 5 -17.334 -5.707 3.428 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.459 -3.794 4.434 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.723 -3.923 5.254 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.507 -5.595 5.732 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.637 -3.644 6.952 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.334 -2.953 8.622 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.760 -2.396 6.986 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.586 -3.807 7.689 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.071 -5.028 8.946 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.296 -5.945 8.036 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.586 -6.018 7.549 1.00 0.34 H new ATOM 103 N ALA A 6 -14.861 -6.959 4.936 1.00 0.23 N ATOM 104 CA ALA A 6 -13.747 -7.853 5.195 1.00 0.24 C ATOM 105 C ALA A 6 -12.520 -7.393 4.413 1.00 0.22 C ATOM 106 O ALA A 6 -11.410 -7.388 4.943 1.00 0.24 O ATOM 107 CB ALA A 6 -14.107 -9.290 4.843 1.00 0.28 C ATOM 0 H ALA A 6 -15.710 -7.417 4.604 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.516 -7.822 6.260 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.255 -9.939 5.046 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.958 -9.610 5.444 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.366 -9.352 3.786 1.00 0.28 H new ATOM 113 N LEU A 7 -12.735 -6.966 3.165 1.00 0.20 N ATOM 114 CA LEU A 7 -11.647 -6.463 2.327 1.00 0.19 C ATOM 115 C LEU A 7 -11.107 -5.124 2.833 1.00 0.18 C ATOM 116 O LEU A 7 -9.910 -4.987 3.055 1.00 0.18 O ATOM 117 CB LEU A 7 -12.126 -6.271 0.883 1.00 0.20 C ATOM 118 CG LEU A 7 -12.039 -7.492 -0.036 1.00 0.23 C ATOM 119 CD1 LEU A 7 -12.878 -8.644 0.492 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.484 -7.106 -1.436 1.00 0.25 C ATOM 0 H LEU A 7 -13.651 -6.959 2.715 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.851 -7.206 2.370 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.164 -5.938 0.910 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.544 -5.465 0.435 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.003 -7.830 -0.066 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -12.794 -9.495 -0.184 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.522 -8.930 1.482 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -13.921 -8.334 0.558 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.422 -7.976 -2.090 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.513 -6.748 -1.405 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -11.837 -6.317 -1.819 1.00 0.25 H new ATOM 132 N ILE A 8 -11.991 -4.149 3.038 1.00 0.17 N ATOM 133 CA ILE A 8 -11.565 -2.823 3.496 1.00 0.17 C ATOM 134 C ILE A 8 -10.851 -2.892 4.848 1.00 0.18 C ATOM 135 O ILE A 8 -9.903 -2.154 5.089 1.00 0.20 O ATOM 136 CB ILE A 8 -12.730 -1.786 3.525 1.00 0.18 C ATOM 137 CG1 ILE A 8 -13.958 -2.330 4.238 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.083 -1.330 2.121 1.00 0.19 C ATOM 139 CD1 ILE A 8 -13.990 -1.981 5.709 1.00 0.24 C ATOM 0 H ILE A 8 -12.996 -4.248 2.897 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.849 -2.466 2.756 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.380 -0.924 4.092 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.854 -1.937 3.757 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -13.986 -3.414 4.127 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.898 -0.607 2.167 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.212 -0.865 1.659 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.393 -2.189 1.527 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -14.890 -2.397 6.162 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.111 -2.397 6.201 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -13.993 -0.897 5.826 1.00 0.24 H new ATOM 151 N GLN A 9 -11.288 -3.798 5.715 1.00 0.19 N ATOM 152 CA GLN A 9 -10.655 -3.964 7.018 1.00 0.21 C ATOM 153 C GLN A 9 -9.305 -4.670 6.914 1.00 0.22 C ATOM 154 O GLN A 9 -8.395 -4.383 7.695 1.00 0.24 O ATOM 155 CB GLN A 9 -11.573 -4.717 7.981 1.00 0.22 C ATOM 156 CG GLN A 9 -12.647 -3.838 8.600 1.00 0.29 C ATOM 157 CD GLN A 9 -12.075 -2.754 9.504 1.00 0.90 C ATOM 158 OE1 GLN A 9 -12.644 -1.670 9.630 1.00 1.82 O ATOM 159 NE2 GLN A 9 -10.954 -3.042 10.148 1.00 1.37 N ATOM 0 H GLN A 9 -12.073 -4.425 5.541 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.476 -2.964 7.413 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -12.049 -5.540 7.449 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -10.971 -5.157 8.776 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.230 -3.372 7.806 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.332 -4.460 9.176 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -10.511 -3.951 10.019 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -10.534 -2.354 10.773 1.00 1.37 H new ATOM 168 N GLU A 10 -9.178 -5.620 5.992 1.00 0.21 N ATOM 169 CA GLU A 10 -7.916 -6.341 5.823 1.00 0.23 C ATOM 170 C GLU A 10 -6.884 -5.531 5.066 1.00 0.21 C ATOM 171 O GLU A 10 -5.700 -5.803 5.191 1.00 0.22 O ATOM 172 CB GLU A 10 -8.110 -7.696 5.134 1.00 0.25 C ATOM 173 CG GLU A 10 -8.505 -7.583 3.674 1.00 0.24 C ATOM 174 CD GLU A 10 -8.294 -8.865 2.902 1.00 0.39 C ATOM 175 OE1 GLU A 10 -8.979 -9.870 3.193 1.00 1.15 O ATOM 176 OE2 GLU A 10 -7.433 -8.878 1.998 1.00 1.11 O ATOM 0 H GLU A 10 -9.922 -5.908 5.357 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.543 -6.515 6.833 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.185 -8.268 5.208 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.876 -8.259 5.667 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.554 -7.295 3.609 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.926 -6.786 3.208 1.00 0.24 H new ATOM 183 N LEU A 11 -7.321 -4.561 4.273 1.00 0.18 N ATOM 184 CA LEU A 11 -6.397 -3.735 3.492 1.00 0.18 C ATOM 185 C LEU A 11 -5.232 -3.206 4.345 1.00 0.18 C ATOM 186 O LEU A 11 -4.084 -3.282 3.914 1.00 0.17 O ATOM 187 CB LEU A 11 -7.130 -2.578 2.811 1.00 0.19 C ATOM 188 CG LEU A 11 -8.221 -2.998 1.828 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.783 -1.792 1.106 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.688 -4.013 0.830 1.00 0.25 C ATOM 0 H LEU A 11 -8.306 -4.324 4.151 1.00 0.18 H new ATOM 0 HA LEU A 11 -5.974 -4.379 2.721 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.577 -1.947 3.580 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.400 -1.966 2.281 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.025 -3.466 2.396 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.559 -2.113 0.411 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.210 -1.100 1.832 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -7.985 -1.293 0.555 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.483 -4.297 0.140 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.862 -3.574 0.271 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.336 -4.897 1.362 1.00 0.25 H new ATOM 202 N PRO A 12 -5.494 -2.659 5.556 1.00 0.21 N ATOM 203 CA PRO A 12 -4.425 -2.277 6.483 1.00 0.25 C ATOM 204 C PRO A 12 -3.419 -3.398 6.762 1.00 0.26 C ATOM 205 O PRO A 12 -2.208 -3.168 6.778 1.00 0.28 O ATOM 206 CB PRO A 12 -5.174 -1.895 7.759 1.00 0.30 C ATOM 207 CG PRO A 12 -6.507 -1.442 7.282 1.00 0.27 C ATOM 208 CD PRO A 12 -6.824 -2.293 6.085 1.00 0.22 C ATOM 0 HA PRO A 12 -3.816 -1.474 6.067 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.262 -2.743 8.438 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.656 -1.104 8.302 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.262 -1.563 8.059 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.489 -0.385 7.017 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.402 -3.175 6.362 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.412 -1.745 5.348 1.00 0.22 H new ATOM 216 N ASP A 13 -3.916 -4.610 6.964 1.00 0.26 N ATOM 217 CA ASP A 13 -3.050 -5.754 7.244 1.00 0.29 C ATOM 218 C ASP A 13 -2.303 -6.167 5.982 1.00 0.25 C ATOM 219 O ASP A 13 -1.100 -6.410 6.003 1.00 0.26 O ATOM 220 CB ASP A 13 -3.867 -6.945 7.764 1.00 0.36 C ATOM 221 CG ASP A 13 -4.440 -6.724 9.152 1.00 0.98 C ATOM 222 OD1 ASP A 13 -5.576 -6.215 9.257 1.00 1.86 O ATOM 223 OD2 ASP A 13 -3.769 -7.082 10.142 1.00 1.40 O ATOM 0 H ASP A 13 -4.912 -4.830 6.940 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.335 -5.456 8.011 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.683 -7.147 7.070 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.234 -7.832 7.778 1.00 0.36 H new ATOM 228 N ARG A 14 -3.043 -6.236 4.889 1.00 0.22 N ATOM 229 CA ARG A 14 -2.506 -6.630 3.596 1.00 0.22 C ATOM 230 C ARG A 14 -1.418 -5.661 3.132 1.00 0.20 C ATOM 231 O ARG A 14 -0.421 -6.076 2.552 1.00 0.22 O ATOM 232 CB ARG A 14 -3.642 -6.702 2.573 1.00 0.28 C ATOM 233 CG ARG A 14 -3.374 -7.662 1.427 1.00 0.53 C ATOM 234 CD ARG A 14 -4.583 -7.793 0.512 1.00 0.50 C ATOM 235 NE ARG A 14 -4.398 -8.840 -0.490 1.00 0.95 N ATOM 236 CZ ARG A 14 -5.395 -9.518 -1.060 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.640 -9.380 -0.623 1.00 1.08 N ATOM 238 NH2 ARG A 14 -5.133 -10.386 -2.031 1.00 1.15 N ATOM 0 H ARG A 14 -4.040 -6.019 4.873 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.047 -7.614 3.691 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.558 -7.004 3.081 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.817 -5.706 2.167 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -2.517 -7.312 0.851 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -3.111 -8.642 1.826 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -5.468 -8.014 1.109 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.765 -6.841 0.013 1.00 0.50 H new ATOM 0 HE ARG A 14 -3.444 -9.067 -0.772 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -6.841 -8.751 0.155 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -7.396 -9.902 -1.065 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -4.172 -10.532 -2.339 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -5.893 -10.906 -2.469 1.00 1.15 H new ATOM 252 N ILE A 15 -1.607 -4.375 3.403 1.00 0.19 N ATOM 253 CA ILE A 15 -0.611 -3.359 3.079 1.00 0.20 C ATOM 254 C ILE A 15 0.544 -3.421 4.069 1.00 0.21 C ATOM 255 O ILE A 15 1.693 -3.148 3.719 1.00 0.21 O ATOM 256 CB ILE A 15 -1.253 -1.946 3.044 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.802 -1.178 1.793 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.945 -1.150 4.306 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.639 -0.705 1.836 1.00 0.25 C ATOM 0 H ILE A 15 -2.447 -4.008 3.850 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.216 -3.562 2.084 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.334 -2.080 3.001 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.936 -1.817 0.920 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.452 -0.313 1.658 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.413 -0.168 4.240 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.335 -1.680 5.175 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.134 -1.032 4.407 1.00 0.25 H new ATOM 0 HD11 ILE A 15 0.875 -0.172 0.915 1.00 0.25 H new ATOM 0 HD12 ILE A 15 0.778 -0.038 2.687 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.301 -1.565 1.938 1.00 0.25 H new ATOM 271 N GLN A 16 0.243 -3.803 5.301 1.00 0.23 N ATOM 272 CA GLN A 16 1.284 -4.047 6.276 1.00 0.26 C ATOM 273 C GLN A 16 2.154 -5.200 5.794 1.00 0.25 C ATOM 274 O GLN A 16 3.361 -5.182 5.970 1.00 0.29 O ATOM 275 CB GLN A 16 0.689 -4.354 7.650 1.00 0.33 C ATOM 276 CG GLN A 16 1.739 -4.614 8.722 1.00 0.78 C ATOM 277 CD GLN A 16 1.136 -4.842 10.092 1.00 1.16 C ATOM 278 OE1 GLN A 16 1.696 -5.563 10.918 1.00 1.70 O ATOM 279 NE2 GLN A 16 -0.005 -4.227 10.344 1.00 1.91 N ATOM 0 H GLN A 16 -0.707 -3.949 5.643 1.00 0.23 H new ATOM 0 HA GLN A 16 1.895 -3.150 6.380 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.063 -3.518 7.961 1.00 0.33 H new ATOM 0 HB3 GLN A 16 0.040 -5.226 7.570 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.330 -5.485 8.441 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.423 -3.766 8.768 1.00 0.78 H new ATOM 0 HE21 GLN A 16 -0.435 -3.638 9.631 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.456 -4.341 11.252 1.00 1.91 H new ATOM 288 N THR A 17 1.523 -6.182 5.158 1.00 0.23 N ATOM 289 CA THR A 17 2.233 -7.306 4.561 1.00 0.25 C ATOM 290 C THR A 17 2.931 -6.885 3.270 1.00 0.22 C ATOM 291 O THR A 17 3.996 -7.402 2.924 1.00 0.27 O ATOM 292 CB THR A 17 1.271 -8.471 4.258 1.00 0.30 C ATOM 293 OG1 THR A 17 0.588 -8.868 5.453 1.00 0.38 O ATOM 294 CG2 THR A 17 2.016 -9.667 3.679 1.00 0.32 C ATOM 0 H THR A 17 0.510 -6.221 5.043 1.00 0.23 H new ATOM 0 HA THR A 17 2.979 -7.638 5.283 1.00 0.25 H new ATOM 0 HB THR A 17 0.549 -8.123 3.519 1.00 0.30 H new ATOM 0 HG1 THR A 17 -0.005 -8.145 5.747 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.310 -10.472 3.476 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.509 -9.375 2.752 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.763 -10.011 4.394 1.00 0.32 H new ATOM 302 N ALA A 18 2.317 -5.949 2.562 1.00 0.22 N ATOM 303 CA ALA A 18 2.882 -5.415 1.333 1.00 0.23 C ATOM 304 C ALA A 18 4.230 -4.766 1.600 1.00 0.24 C ATOM 305 O ALA A 18 5.110 -4.763 0.745 1.00 0.29 O ATOM 306 CB ALA A 18 1.927 -4.410 0.703 1.00 0.26 C ATOM 0 H ALA A 18 1.419 -5.541 2.821 1.00 0.22 H new ATOM 0 HA ALA A 18 3.030 -6.241 0.637 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.364 -4.019 -0.216 1.00 0.26 H new ATOM 0 HB2 ALA A 18 0.981 -4.901 0.475 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.751 -3.589 1.399 1.00 0.26 H new ATOM 312 N VAL A 19 4.389 -4.224 2.798 1.00 0.24 N ATOM 313 CA VAL A 19 5.596 -3.486 3.110 1.00 0.29 C ATOM 314 C VAL A 19 6.360 -4.021 4.338 1.00 0.23 C ATOM 315 O VAL A 19 7.381 -3.453 4.715 1.00 0.27 O ATOM 316 CB VAL A 19 5.252 -1.997 3.305 1.00 0.49 C ATOM 317 CG1 VAL A 19 4.851 -1.700 4.736 1.00 1.09 C ATOM 318 CG2 VAL A 19 6.398 -1.118 2.862 1.00 1.77 C ATOM 0 H VAL A 19 3.709 -4.281 3.556 1.00 0.24 H new ATOM 0 HA VAL A 19 6.268 -3.618 2.262 1.00 0.29 H new ATOM 0 HB VAL A 19 4.391 -1.771 2.676 1.00 0.49 H new ATOM 0 HG11 VAL A 19 4.616 -0.640 4.835 1.00 1.09 H new ATOM 0 HG12 VAL A 19 3.975 -2.293 4.999 1.00 1.09 H new ATOM 0 HG13 VAL A 19 5.674 -1.953 5.404 1.00 1.09 H new ATOM 0 HG21 VAL A 19 6.132 -0.071 3.009 1.00 1.77 H new ATOM 0 HG22 VAL A 19 7.285 -1.353 3.450 1.00 1.77 H new ATOM 0 HG23 VAL A 19 6.605 -1.295 1.807 1.00 1.77 H new ATOM 328 N GLU A 20 5.903 -5.111 4.948 1.00 0.22 N ATOM 329 CA GLU A 20 6.562 -5.617 6.159 1.00 0.25 C ATOM 330 C GLU A 20 7.968 -6.116 5.847 1.00 0.26 C ATOM 331 O GLU A 20 8.906 -5.871 6.606 1.00 0.30 O ATOM 332 CB GLU A 20 5.718 -6.701 6.860 1.00 0.28 C ATOM 333 CG GLU A 20 5.216 -7.829 5.965 1.00 0.30 C ATOM 334 CD GLU A 20 6.231 -8.930 5.749 1.00 0.96 C ATOM 335 OE1 GLU A 20 6.733 -9.485 6.747 1.00 1.93 O ATOM 336 OE2 GLU A 20 6.530 -9.243 4.580 1.00 1.32 O ATOM 0 H GLU A 20 5.098 -5.654 4.637 1.00 0.22 H new ATOM 0 HA GLU A 20 6.651 -4.784 6.857 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.313 -7.136 7.663 1.00 0.28 H new ATOM 0 HB3 GLU A 20 4.857 -6.221 7.326 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.316 -8.258 6.406 1.00 0.30 H new ATOM 0 HG3 GLU A 20 4.931 -7.415 4.998 1.00 0.30 H new ATOM 343 N ALA A 21 8.104 -6.800 4.725 1.00 0.28 N ATOM 344 CA ALA A 21 9.406 -7.225 4.238 1.00 0.32 C ATOM 345 C ALA A 21 10.339 -6.024 4.067 1.00 0.30 C ATOM 346 O ALA A 21 11.521 -6.087 4.408 1.00 0.31 O ATOM 347 CB ALA A 21 9.249 -7.976 2.926 1.00 0.40 C ATOM 0 H ALA A 21 7.323 -7.075 4.129 1.00 0.28 H new ATOM 0 HA ALA A 21 9.853 -7.894 4.973 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.229 -8.291 2.568 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.620 -8.853 3.082 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.785 -7.323 2.187 1.00 0.40 H new ATOM 353 N ALA A 22 9.795 -4.932 3.539 1.00 0.28 N ATOM 354 CA ALA A 22 10.556 -3.703 3.345 1.00 0.29 C ATOM 355 C ALA A 22 10.813 -2.974 4.666 1.00 0.31 C ATOM 356 O ALA A 22 11.833 -2.301 4.829 1.00 0.35 O ATOM 357 CB ALA A 22 9.841 -2.800 2.359 1.00 0.30 C ATOM 0 H ALA A 22 8.823 -4.874 3.236 1.00 0.28 H new ATOM 0 HA ALA A 22 11.530 -3.973 2.937 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.417 -1.885 2.220 1.00 0.30 H new ATOM 0 HB2 ALA A 22 9.740 -3.313 1.403 1.00 0.30 H new ATOM 0 HB3 ALA A 22 8.852 -2.552 2.744 1.00 0.30 H new ATOM 363 N MET A 23 9.876 -3.074 5.598 1.00 0.30 N ATOM 364 CA MET A 23 10.061 -2.479 6.917 1.00 0.35 C ATOM 365 C MET A 23 11.127 -3.238 7.688 1.00 0.40 C ATOM 366 O MET A 23 11.940 -2.644 8.393 1.00 0.46 O ATOM 367 CB MET A 23 8.756 -2.458 7.714 1.00 0.33 C ATOM 368 CG MET A 23 7.730 -1.460 7.202 1.00 0.38 C ATOM 369 SD MET A 23 8.360 0.229 7.126 1.00 0.72 S ATOM 370 CE MET A 23 8.674 0.380 5.372 1.00 0.53 C ATOM 0 H MET A 23 8.987 -3.557 5.469 1.00 0.30 H new ATOM 0 HA MET A 23 10.382 -1.447 6.773 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.317 -3.455 7.697 1.00 0.33 H new ATOM 0 HB3 MET A 23 8.983 -2.228 8.755 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.401 -1.764 6.208 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.853 -1.485 7.849 1.00 0.38 H new ATOM 0 HE1 MET A 23 8.723 1.435 5.101 1.00 0.53 H new ATOM 0 HE2 MET A 23 9.621 -0.101 5.129 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.870 -0.101 4.816 1.00 0.53 H new ATOM 380 N GLY A 24 11.125 -4.553 7.537 1.00 0.40 N ATOM 381 CA GLY A 24 12.152 -5.377 8.137 1.00 0.48 C ATOM 382 C GLY A 24 13.419 -5.414 7.306 1.00 0.46 C ATOM 383 O GLY A 24 14.248 -6.309 7.467 1.00 0.57 O ATOM 0 H GLY A 24 10.424 -5.068 7.005 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.384 -4.997 9.132 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.773 -6.391 8.263 1.00 0.48 H new ATOM 387 N MET A 25 13.563 -4.443 6.408 1.00 0.44 N ATOM 388 CA MET A 25 14.758 -4.322 5.585 1.00 0.46 C ATOM 389 C MET A 25 15.988 -4.190 6.467 1.00 0.48 C ATOM 390 O MET A 25 16.036 -3.346 7.358 1.00 0.57 O ATOM 391 CB MET A 25 14.661 -3.105 4.673 1.00 0.56 C ATOM 392 CG MET A 25 15.772 -3.034 3.644 1.00 0.53 C ATOM 393 SD MET A 25 15.689 -4.351 2.428 1.00 1.04 S ATOM 394 CE MET A 25 14.695 -3.538 1.186 1.00 0.76 C ATOM 0 H MET A 25 12.860 -3.725 6.233 1.00 0.44 H new ATOM 0 HA MET A 25 14.842 -5.220 4.973 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.700 -3.121 4.159 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.681 -2.201 5.282 1.00 0.56 H new ATOM 0 HG2 MET A 25 15.725 -2.072 3.133 1.00 0.53 H new ATOM 0 HG3 MET A 25 16.735 -3.078 4.153 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.316 -4.278 0.481 1.00 0.76 H new ATOM 0 HE2 MET A 25 13.857 -3.031 1.665 1.00 0.76 H new ATOM 0 HE3 MET A 25 15.304 -2.808 0.653 1.00 0.76 H new ATOM 404 N SER A 26 16.972 -5.032 6.237 1.00 0.54 N ATOM 405 CA SER A 26 18.230 -4.932 6.947 1.00 0.65 C ATOM 406 C SER A 26 19.165 -3.967 6.231 1.00 0.79 C ATOM 407 O SER A 26 20.262 -4.320 5.809 1.00 1.68 O ATOM 408 CB SER A 26 18.846 -6.310 7.070 1.00 0.79 C ATOM 409 OG SER A 26 18.781 -7.007 5.833 1.00 1.67 O ATOM 0 H SER A 26 16.926 -5.796 5.562 1.00 0.54 H new ATOM 0 HA SER A 26 18.057 -4.539 7.949 1.00 0.65 H new ATOM 0 HB2 SER A 26 19.885 -6.221 7.388 1.00 0.79 H new ATOM 0 HB3 SER A 26 18.325 -6.878 7.840 1.00 0.79 H new ATOM 0 HG SER A 26 19.186 -7.894 5.935 1.00 1.67 H new ATOM 415 N TYR A 27 18.704 -2.740 6.096 1.00 0.54 N ATOM 416 CA TYR A 27 19.424 -1.709 5.368 1.00 0.44 C ATOM 417 C TYR A 27 20.432 -1.019 6.284 1.00 0.43 C ATOM 418 O TYR A 27 21.096 -0.072 5.883 1.00 0.40 O ATOM 419 CB TYR A 27 18.421 -0.687 4.823 1.00 0.40 C ATOM 420 CG TYR A 27 17.628 -0.028 5.923 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.530 -0.650 6.488 1.00 1.19 C ATOM 422 CD2 TYR A 27 18.026 1.187 6.435 1.00 1.31 C ATOM 423 CE1 TYR A 27 15.851 -0.078 7.532 1.00 1.24 C ATOM 424 CE2 TYR A 27 17.350 1.786 7.475 1.00 1.32 C ATOM 425 CZ TYR A 27 16.259 1.143 8.030 1.00 0.50 C ATOM 426 OH TYR A 27 15.580 1.709 9.084 1.00 0.61 O ATOM 0 H TYR A 27 17.816 -2.426 6.489 1.00 0.54 H new ATOM 0 HA TYR A 27 19.968 -2.164 4.540 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.954 0.075 4.254 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.739 -1.182 4.132 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.202 -1.603 6.100 1.00 1.19 H new ATOM 0 HD2 TYR A 27 18.888 1.681 6.011 1.00 1.31 H new ATOM 0 HE1 TYR A 27 14.999 -0.581 7.964 1.00 1.24 H new ATOM 0 HE2 TYR A 27 17.668 2.747 7.852 1.00 1.32 H new ATOM 0 HH TYR A 27 15.993 2.567 9.316 1.00 0.61 H new ATOM 436 N GLN A 28 20.542 -1.513 7.513 1.00 0.55 N ATOM 437 CA GLN A 28 21.388 -0.881 8.523 1.00 0.63 C ATOM 438 C GLN A 28 22.852 -0.957 8.138 1.00 0.66 C ATOM 439 O GLN A 28 23.628 -0.055 8.452 1.00 0.77 O ATOM 440 CB GLN A 28 21.190 -1.541 9.886 1.00 0.74 C ATOM 441 CG GLN A 28 19.739 -1.629 10.300 1.00 1.35 C ATOM 442 CD GLN A 28 19.564 -2.099 11.730 1.00 1.68 C ATOM 443 OE1 GLN A 28 19.574 -1.294 12.662 1.00 2.31 O ATOM 444 NE2 GLN A 28 19.384 -3.395 11.916 1.00 1.92 N ATOM 0 H GLN A 28 20.056 -2.350 7.835 1.00 0.55 H new ATOM 0 HA GLN A 28 21.093 0.167 8.583 1.00 0.63 H new ATOM 0 HB2 GLN A 28 21.616 -2.544 9.862 1.00 0.74 H new ATOM 0 HB3 GLN A 28 21.742 -0.978 10.639 1.00 0.74 H new ATOM 0 HG2 GLN A 28 19.273 -0.650 10.184 1.00 1.35 H new ATOM 0 HG3 GLN A 28 19.216 -2.312 9.631 1.00 1.35 H new ATOM 0 HE21 GLN A 28 19.382 -4.029 11.117 1.00 1.92 H new ATOM 0 HE22 GLN A 28 19.247 -3.761 12.858 1.00 1.92 H new ATOM 453 N ASP A 29 23.224 -2.029 7.449 1.00 0.68 N ATOM 454 CA ASP A 29 24.610 -2.226 7.065 1.00 0.81 C ATOM 455 C ASP A 29 24.987 -1.212 5.995 1.00 0.70 C ATOM 456 O ASP A 29 26.124 -0.740 5.925 1.00 0.86 O ATOM 457 CB ASP A 29 24.838 -3.651 6.550 1.00 0.95 C ATOM 458 CG ASP A 29 26.305 -3.950 6.288 1.00 1.66 C ATOM 459 OD1 ASP A 29 27.004 -4.375 7.231 1.00 2.34 O ATOM 460 OD2 ASP A 29 26.765 -3.772 5.138 1.00 2.31 O ATOM 0 H ASP A 29 22.589 -2.768 7.148 1.00 0.68 H new ATOM 0 HA ASP A 29 25.242 -2.081 7.942 1.00 0.81 H new ATOM 0 HB2 ASP A 29 24.450 -4.363 7.279 1.00 0.95 H new ATOM 0 HB3 ASP A 29 24.272 -3.796 5.630 1.00 0.95 H new ATOM 465 N ALA A 30 23.993 -0.868 5.185 1.00 0.55 N ATOM 466 CA ALA A 30 24.139 0.133 4.146 1.00 0.48 C ATOM 467 C ALA A 30 24.481 1.482 4.778 1.00 0.44 C ATOM 468 O ALA A 30 23.973 1.805 5.851 1.00 0.47 O ATOM 469 CB ALA A 30 22.849 0.210 3.333 1.00 0.47 C ATOM 0 H ALA A 30 23.061 -1.280 5.234 1.00 0.55 H new ATOM 0 HA ALA A 30 24.952 -0.140 3.473 1.00 0.48 H new ATOM 0 HB1 ALA A 30 22.956 0.962 2.551 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.647 -0.760 2.879 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.022 0.483 3.988 1.00 0.47 H new ATOM 475 N PRO A 31 25.382 2.264 4.144 1.00 0.45 N ATOM 476 CA PRO A 31 25.813 3.567 4.650 1.00 0.48 C ATOM 477 C PRO A 31 24.668 4.440 5.114 1.00 0.41 C ATOM 478 O PRO A 31 23.565 4.349 4.575 1.00 0.34 O ATOM 479 CB PRO A 31 26.472 4.241 3.459 1.00 0.57 C ATOM 480 CG PRO A 31 26.875 3.144 2.537 1.00 0.56 C ATOM 481 CD PRO A 31 26.067 1.918 2.891 1.00 0.50 C ATOM 0 HA PRO A 31 26.462 3.430 5.515 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.783 4.929 2.969 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.337 4.826 3.771 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.697 3.432 1.501 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.941 2.938 2.632 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.353 1.675 2.104 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.708 1.046 3.019 1.00 0.50 H new ATOM 489 N ASN A 32 24.934 5.296 6.083 1.00 0.45 N ATOM 490 CA ASN A 32 23.900 6.152 6.648 1.00 0.41 C ATOM 491 C ASN A 32 23.057 6.833 5.579 1.00 0.38 C ATOM 492 O ASN A 32 21.849 6.741 5.628 1.00 0.37 O ATOM 493 CB ASN A 32 24.493 7.192 7.594 1.00 0.50 C ATOM 494 CG ASN A 32 25.809 7.787 7.112 1.00 1.48 C ATOM 495 OD1 ASN A 32 26.021 7.995 5.916 1.00 2.40 O ATOM 496 ND2 ASN A 32 26.713 8.034 8.044 1.00 1.87 N ATOM 0 H ASN A 32 25.858 5.419 6.498 1.00 0.45 H new ATOM 0 HA ASN A 32 23.241 5.497 7.217 1.00 0.41 H new ATOM 0 HB2 ASN A 32 23.771 7.997 7.732 1.00 0.50 H new ATOM 0 HB3 ASN A 32 24.649 6.733 8.570 1.00 0.50 H new ATOM 0 HD21 ASN A 32 27.624 8.410 7.783 1.00 1.87 H new ATOM 0 HD22 ASN A 32 26.499 7.848 9.024 1.00 1.87 H new ATOM 503 N ASN A 33 23.670 7.460 4.588 1.00 0.42 N ATOM 504 CA ASN A 33 22.906 8.203 3.588 1.00 0.45 C ATOM 505 C ASN A 33 21.974 7.291 2.791 1.00 0.41 C ATOM 506 O ASN A 33 20.809 7.621 2.598 1.00 0.40 O ATOM 507 CB ASN A 33 23.846 8.969 2.660 1.00 0.58 C ATOM 508 CG ASN A 33 23.149 9.620 1.471 1.00 1.43 C ATOM 509 OD1 ASN A 33 23.718 9.702 0.382 1.00 2.14 O ATOM 510 ND2 ASN A 33 21.941 10.126 1.669 1.00 2.17 N ATOM 0 H ASN A 33 24.681 7.473 4.451 1.00 0.42 H new ATOM 0 HA ASN A 33 22.278 8.920 4.117 1.00 0.45 H new ATOM 0 HB2 ASN A 33 24.358 9.741 3.235 1.00 0.58 H new ATOM 0 HB3 ASN A 33 24.611 8.286 2.290 1.00 0.58 H new ATOM 0 HD21 ASN A 33 21.455 10.600 0.907 1.00 2.17 H new ATOM 0 HD22 ASN A 33 21.496 10.042 2.583 1.00 2.17 H new ATOM 517 N VAL A 34 22.463 6.129 2.365 1.00 0.42 N ATOM 518 CA VAL A 34 21.621 5.220 1.592 1.00 0.46 C ATOM 519 C VAL A 34 20.573 4.589 2.493 1.00 0.39 C ATOM 520 O VAL A 34 19.430 4.431 2.098 1.00 0.39 O ATOM 521 CB VAL A 34 22.418 4.142 0.823 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.391 4.790 -0.147 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.148 3.213 1.762 1.00 0.61 C ATOM 0 H VAL A 34 23.413 5.800 2.536 1.00 0.42 H new ATOM 0 HA VAL A 34 21.128 5.820 0.827 1.00 0.46 H new ATOM 0 HB VAL A 34 21.703 3.544 0.258 1.00 0.60 H new ATOM 0 HG11 VAL A 34 23.944 4.016 -0.680 1.00 1.39 H new ATOM 0 HG12 VAL A 34 22.840 5.400 -0.863 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.089 5.420 0.404 1.00 1.39 H new ATOM 0 HG21 VAL A 34 23.697 2.469 1.184 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.846 3.787 2.371 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.429 2.711 2.410 1.00 0.61 H new ATOM 533 N ARG A 35 20.954 4.275 3.726 1.00 0.37 N ATOM 534 CA ARG A 35 20.010 3.735 4.685 1.00 0.37 C ATOM 535 C ARG A 35 19.002 4.802 5.098 1.00 0.32 C ATOM 536 O ARG A 35 17.892 4.477 5.463 1.00 0.36 O ATOM 537 CB ARG A 35 20.701 3.087 5.891 1.00 0.42 C ATOM 538 CG ARG A 35 21.418 4.017 6.845 1.00 0.40 C ATOM 539 CD ARG A 35 22.103 3.207 7.933 1.00 0.50 C ATOM 540 NE ARG A 35 22.523 4.014 9.074 1.00 1.03 N ATOM 541 CZ ARG A 35 23.362 3.582 10.017 1.00 1.33 C ATOM 542 NH1 ARG A 35 23.937 2.388 9.907 1.00 1.61 N ATOM 543 NH2 ARG A 35 23.626 4.349 11.067 1.00 2.14 N ATOM 0 H ARG A 35 21.904 4.386 4.079 1.00 0.37 H new ATOM 0 HA ARG A 35 19.464 2.930 4.194 1.00 0.37 H new ATOM 0 HB2 ARG A 35 19.951 2.533 6.455 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.422 2.359 5.519 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.154 4.612 6.304 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.709 4.715 7.290 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.424 2.427 8.278 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.974 2.707 7.510 1.00 0.50 H new ATOM 0 HE ARG A 35 22.154 4.962 9.155 1.00 1.03 H new ATOM 0 HH11 ARG A 35 23.737 1.798 9.099 1.00 1.61 H new ATOM 0 HH12 ARG A 35 24.578 2.062 10.630 1.00 1.61 H new ATOM 0 HH21 ARG A 35 23.188 5.266 11.152 1.00 2.14 H new ATOM 0 HH22 ARG A 35 24.267 4.021 11.790 1.00 2.14 H new ATOM 557 N ARG A 36 19.433 6.059 5.122 1.00 0.29 N ATOM 558 CA ARG A 36 18.529 7.210 5.247 1.00 0.29 C ATOM 559 C ARG A 36 17.608 7.345 4.042 1.00 0.28 C ATOM 560 O ARG A 36 16.480 7.816 4.162 1.00 0.29 O ATOM 561 CB ARG A 36 19.320 8.489 5.459 1.00 0.33 C ATOM 562 CG ARG A 36 20.000 8.509 6.809 1.00 0.45 C ATOM 563 CD ARG A 36 19.158 9.124 7.899 1.00 0.75 C ATOM 564 NE ARG A 36 17.777 9.396 7.498 1.00 1.43 N ATOM 565 CZ ARG A 36 17.341 10.586 7.078 1.00 2.20 C ATOM 566 NH1 ARG A 36 18.176 11.613 6.977 1.00 2.57 N ATOM 567 NH2 ARG A 36 16.064 10.746 6.775 1.00 3.03 N ATOM 0 H ARG A 36 20.418 6.315 5.056 1.00 0.29 H new ATOM 0 HA ARG A 36 17.900 7.036 6.120 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.069 8.588 4.673 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.653 9.347 5.375 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.257 7.488 7.092 1.00 0.45 H new ATOM 0 HG3 ARG A 36 20.935 9.063 6.727 1.00 0.45 H new ATOM 0 HD2 ARG A 36 19.151 8.456 8.760 1.00 0.75 H new ATOM 0 HD3 ARG A 36 19.623 10.056 8.222 1.00 0.75 H new ATOM 0 HE ARG A 36 17.106 8.629 7.542 1.00 1.43 H new ATOM 0 HH11 ARG A 36 19.159 11.497 7.221 1.00 2.57 H new ATOM 0 HH12 ARG A 36 17.834 12.519 6.655 1.00 2.57 H new ATOM 0 HH21 ARG A 36 15.417 9.962 6.863 1.00 3.03 H new ATOM 0 HH22 ARG A 36 15.726 11.653 6.454 1.00 3.03 H new ATOM 581 N ASP A 37 18.104 7.007 2.874 1.00 0.30 N ATOM 582 CA ASP A 37 17.233 6.883 1.710 1.00 0.30 C ATOM 583 C ASP A 37 16.208 5.779 1.959 1.00 0.25 C ATOM 584 O ASP A 37 15.029 5.919 1.631 1.00 0.24 O ATOM 585 CB ASP A 37 18.037 6.608 0.442 1.00 0.37 C ATOM 586 CG ASP A 37 18.495 7.884 -0.237 1.00 0.67 C ATOM 587 OD1 ASP A 37 19.232 8.670 0.392 1.00 1.19 O ATOM 588 OD2 ASP A 37 18.107 8.114 -1.399 1.00 1.31 O ATOM 0 H ASP A 37 19.090 6.814 2.697 1.00 0.30 H new ATOM 0 HA ASP A 37 16.711 7.828 1.560 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.906 5.999 0.691 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.429 6.028 -0.252 1.00 0.37 H new ATOM 593 N LEU A 38 16.660 4.689 2.575 1.00 0.24 N ATOM 594 CA LEU A 38 15.754 3.661 3.083 1.00 0.22 C ATOM 595 C LEU A 38 14.917 4.217 4.235 1.00 0.23 C ATOM 596 O LEU A 38 13.835 3.721 4.518 1.00 0.24 O ATOM 597 CB LEU A 38 16.511 2.420 3.579 1.00 0.29 C ATOM 598 CG LEU A 38 16.956 1.401 2.523 1.00 0.30 C ATOM 599 CD1 LEU A 38 15.795 0.980 1.662 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.059 1.942 1.657 1.00 0.47 C ATOM 0 H LEU A 38 17.649 4.495 2.735 1.00 0.24 H new ATOM 0 HA LEU A 38 15.111 3.366 2.254 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.397 2.758 4.117 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.877 1.904 4.300 1.00 0.29 H new ATOM 0 HG LEU A 38 17.338 0.532 3.059 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.135 0.257 0.921 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.026 0.525 2.286 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.383 1.853 1.155 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.346 1.190 0.922 1.00 0.47 H new ATOM 0 HD22 LEU A 38 17.712 2.838 1.143 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.920 2.190 2.277 1.00 0.47 H new ATOM 612 N ASP A 39 15.459 5.215 4.923 1.00 0.25 N ATOM 613 CA ASP A 39 14.764 5.888 6.011 1.00 0.28 C ATOM 614 C ASP A 39 13.559 6.638 5.461 1.00 0.28 C ATOM 615 O ASP A 39 12.485 6.630 6.052 1.00 0.32 O ATOM 616 CB ASP A 39 15.697 6.844 6.746 1.00 0.32 C ATOM 617 CG ASP A 39 15.023 7.567 7.888 1.00 0.71 C ATOM 618 OD1 ASP A 39 14.959 6.999 8.994 1.00 1.59 O ATOM 619 OD2 ASP A 39 14.597 8.722 7.692 1.00 1.33 O ATOM 0 H ASP A 39 16.394 5.580 4.741 1.00 0.25 H new ATOM 0 HA ASP A 39 14.425 5.138 6.726 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.551 6.286 7.130 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.087 7.577 6.040 1.00 0.32 H new ATOM 624 N ASN A 40 13.756 7.277 4.309 1.00 0.26 N ATOM 625 CA ASN A 40 12.659 7.886 3.566 1.00 0.26 C ATOM 626 C ASN A 40 11.706 6.817 3.060 1.00 0.23 C ATOM 627 O ASN A 40 10.494 6.982 3.134 1.00 0.25 O ATOM 628 CB ASN A 40 13.179 8.719 2.392 1.00 0.28 C ATOM 629 CG ASN A 40 13.541 10.134 2.797 1.00 0.68 C ATOM 630 OD1 ASN A 40 12.968 10.690 3.734 1.00 1.13 O ATOM 631 ND2 ASN A 40 14.482 10.732 2.088 1.00 1.22 N ATOM 0 H ASN A 40 14.670 7.386 3.870 1.00 0.26 H new ATOM 0 HA ASN A 40 12.125 8.550 4.245 1.00 0.26 H new ATOM 0 HB2 ASN A 40 14.056 8.232 1.965 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.420 8.752 1.610 1.00 0.28 H new ATOM 0 HD21 ASN A 40 14.757 11.689 2.310 1.00 1.22 H new ATOM 0 HD22 ASN A 40 14.933 10.237 1.319 1.00 1.22 H new ATOM 638 N LEU A 41 12.254 5.713 2.557 1.00 0.21 N ATOM 639 CA LEU A 41 11.430 4.582 2.148 1.00 0.21 C ATOM 640 C LEU A 41 10.588 4.112 3.328 1.00 0.22 C ATOM 641 O LEU A 41 9.430 3.752 3.175 1.00 0.24 O ATOM 642 CB LEU A 41 12.287 3.426 1.628 1.00 0.21 C ATOM 643 CG LEU A 41 11.492 2.223 1.108 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.628 2.626 -0.078 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.427 1.089 0.725 1.00 1.20 C ATOM 0 H LEU A 41 13.256 5.579 2.424 1.00 0.21 H new ATOM 0 HA LEU A 41 10.780 4.909 1.336 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.925 3.797 0.826 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.945 3.090 2.429 1.00 0.21 H new ATOM 0 HG LEU A 41 10.838 1.873 1.907 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.071 1.759 -0.434 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.930 3.405 0.228 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.263 3.003 -0.880 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.844 0.244 0.358 1.00 1.20 H new ATOM 0 HD22 LEU A 41 13.107 1.427 -0.057 1.00 1.20 H new ATOM 0 HD23 LEU A 41 13.002 0.781 1.598 1.00 1.20 H new ATOM 657 N HIS A 42 11.183 4.146 4.510 1.00 0.27 N ATOM 658 CA HIS A 42 10.495 3.758 5.727 1.00 0.35 C ATOM 659 C HIS A 42 9.418 4.755 6.083 1.00 0.39 C ATOM 660 O HIS A 42 8.262 4.385 6.208 1.00 0.47 O ATOM 661 CB HIS A 42 11.477 3.591 6.887 1.00 0.40 C ATOM 662 CG HIS A 42 11.920 2.177 7.047 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.376 1.642 8.230 1.00 1.01 N ATOM 664 CD2 HIS A 42 11.944 1.176 6.147 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.662 0.367 8.049 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.409 0.055 6.790 1.00 1.15 N ATOM 0 H HIS A 42 12.149 4.441 4.651 1.00 0.27 H new ATOM 0 HA HIS A 42 10.020 2.794 5.544 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.347 4.226 6.719 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.008 3.930 7.810 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.651 1.242 5.110 1.00 0.94 H new ATOM 0 HE1 HIS A 42 13.039 -0.308 8.803 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.538 -0.864 6.367 1.00 1.15 H new ATOM 675 N ALA A 43 9.789 6.018 6.210 1.00 0.42 N ATOM 676 CA ALA A 43 8.839 7.042 6.602 1.00 0.49 C ATOM 677 C ALA A 43 7.689 7.140 5.607 1.00 0.48 C ATOM 678 O ALA A 43 6.525 7.113 5.998 1.00 0.51 O ATOM 679 CB ALA A 43 9.538 8.386 6.730 1.00 0.56 C ATOM 0 H ALA A 43 10.737 6.357 6.048 1.00 0.42 H new ATOM 0 HA ALA A 43 8.424 6.762 7.570 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.814 9.146 7.025 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.321 8.318 7.485 1.00 0.56 H new ATOM 0 HB3 ALA A 43 9.981 8.659 5.772 1.00 0.56 H new ATOM 685 N CYS A 44 8.020 7.221 4.324 1.00 0.44 N ATOM 686 CA CYS A 44 7.013 7.413 3.293 1.00 0.46 C ATOM 687 C CYS A 44 6.164 6.161 3.034 1.00 0.42 C ATOM 688 O CYS A 44 4.996 6.273 2.675 1.00 0.43 O ATOM 689 CB CYS A 44 7.633 7.912 2.000 1.00 0.47 C ATOM 690 SG CYS A 44 8.692 9.365 2.208 1.00 1.61 S ATOM 0 H CYS A 44 8.976 7.157 3.975 1.00 0.44 H new ATOM 0 HA CYS A 44 6.337 8.177 3.677 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.219 7.108 1.556 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.837 8.153 1.296 1.00 0.47 H new ATOM 0 HG CYS A 44 9.843 8.998 2.689 1.00 1.61 H new ATOM 696 N LEU A 45 6.734 4.971 3.187 1.00 0.39 N ATOM 697 CA LEU A 45 5.953 3.752 2.976 1.00 0.38 C ATOM 698 C LEU A 45 5.167 3.402 4.226 1.00 0.36 C ATOM 699 O LEU A 45 4.086 2.817 4.159 1.00 0.35 O ATOM 700 CB LEU A 45 6.843 2.580 2.564 1.00 0.39 C ATOM 701 CG LEU A 45 6.612 2.057 1.144 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.186 1.551 0.986 1.00 0.69 C ATOM 703 CD2 LEU A 45 6.910 3.140 0.117 1.00 1.87 C ATOM 0 H LEU A 45 7.708 4.822 3.449 1.00 0.39 H new ATOM 0 HA LEU A 45 5.255 3.944 2.161 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.885 2.885 2.657 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.687 1.761 3.266 1.00 0.39 H new ATOM 0 HG LEU A 45 7.294 1.225 0.972 1.00 0.95 H new ATOM 0 HD11 LEU A 45 5.041 1.183 -0.030 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.007 0.742 1.694 1.00 0.69 H new ATOM 0 HD13 LEU A 45 4.487 2.365 1.181 1.00 0.69 H new ATOM 0 HD21 LEU A 45 6.740 2.748 -0.886 1.00 1.87 H new ATOM 0 HD22 LEU A 45 6.255 3.994 0.289 1.00 1.87 H new ATOM 0 HD23 LEU A 45 7.949 3.455 0.211 1.00 1.87 H new ATOM 715 N ASN A 46 5.708 3.770 5.368 1.00 0.40 N ATOM 716 CA ASN A 46 5.010 3.596 6.620 1.00 0.45 C ATOM 717 C ASN A 46 3.824 4.571 6.695 1.00 0.43 C ATOM 718 O ASN A 46 2.703 4.158 6.987 1.00 0.42 O ATOM 719 CB ASN A 46 5.993 3.745 7.791 1.00 0.53 C ATOM 720 CG ASN A 46 5.335 4.232 9.069 1.00 0.59 C ATOM 721 OD1 ASN A 46 5.239 5.436 9.313 1.00 1.25 O ATOM 722 ND2 ASN A 46 4.886 3.303 9.898 1.00 1.00 N ATOM 0 H ASN A 46 6.632 4.193 5.453 1.00 0.40 H new ATOM 0 HA ASN A 46 4.595 2.590 6.686 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.471 2.784 7.980 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.781 4.442 7.508 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.442 3.574 10.775 1.00 1.00 H new ATOM 0 HD22 ASN A 46 4.984 2.316 9.660 1.00 1.00 H new ATOM 729 N LYS A 47 4.064 5.856 6.408 1.00 0.49 N ATOM 730 CA LYS A 47 2.979 6.831 6.239 1.00 0.47 C ATOM 731 C LYS A 47 2.014 6.401 5.136 1.00 0.42 C ATOM 732 O LYS A 47 0.846 6.765 5.166 1.00 0.43 O ATOM 733 CB LYS A 47 3.528 8.230 5.919 1.00 0.53 C ATOM 734 CG LYS A 47 4.107 8.369 4.533 1.00 1.02 C ATOM 735 CD LYS A 47 4.864 9.677 4.368 1.00 1.07 C ATOM 736 CE LYS A 47 3.929 10.870 4.274 1.00 1.30 C ATOM 737 NZ LYS A 47 3.162 10.878 2.998 1.00 2.15 N ATOM 0 H LYS A 47 4.999 6.245 6.288 1.00 0.49 H new ATOM 0 HA LYS A 47 2.440 6.872 7.186 1.00 0.47 H new ATOM 0 HB2 LYS A 47 2.726 8.958 6.039 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.298 8.481 6.648 1.00 0.53 H new ATOM 0 HG2 LYS A 47 4.777 7.533 4.333 1.00 1.02 H new ATOM 0 HG3 LYS A 47 3.305 8.317 3.797 1.00 1.02 H new ATOM 0 HD2 LYS A 47 5.541 9.813 5.212 1.00 1.07 H new ATOM 0 HD3 LYS A 47 5.480 9.628 3.470 1.00 1.07 H new ATOM 0 HE2 LYS A 47 3.235 10.854 5.114 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.507 11.791 4.356 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 2.708 11.805 2.872 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 3.808 10.698 2.203 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 2.433 10.136 3.026 1.00 2.15 H new ATOM 751 N ALA A 48 2.503 5.635 4.165 1.00 0.40 N ATOM 752 CA ALA A 48 1.646 5.121 3.104 1.00 0.38 C ATOM 753 C ALA A 48 0.618 4.162 3.682 1.00 0.36 C ATOM 754 O ALA A 48 -0.535 4.142 3.260 1.00 0.36 O ATOM 755 CB ALA A 48 2.465 4.445 2.015 1.00 0.41 C ATOM 0 H ALA A 48 3.482 5.358 4.092 1.00 0.40 H new ATOM 0 HA ALA A 48 1.123 5.961 2.648 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.799 4.072 1.237 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.160 5.165 1.583 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.024 3.613 2.444 1.00 0.41 H new ATOM 761 N LYS A 49 1.031 3.384 4.674 1.00 0.37 N ATOM 762 CA LYS A 49 0.108 2.504 5.378 1.00 0.41 C ATOM 763 C LYS A 49 -0.811 3.328 6.260 1.00 0.46 C ATOM 764 O LYS A 49 -1.958 2.966 6.495 1.00 0.56 O ATOM 765 CB LYS A 49 0.856 1.506 6.253 1.00 0.41 C ATOM 766 CG LYS A 49 1.813 0.606 5.501 1.00 0.39 C ATOM 767 CD LYS A 49 2.399 -0.431 6.431 1.00 0.42 C ATOM 768 CE LYS A 49 3.304 0.205 7.477 1.00 0.45 C ATOM 769 NZ LYS A 49 3.578 -0.717 8.605 1.00 1.03 N ATOM 0 H LYS A 49 1.994 3.344 5.008 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.468 1.957 4.631 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.414 2.054 7.012 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.129 0.885 6.777 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.291 0.114 4.680 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.612 1.202 5.060 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.594 -0.973 6.927 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.966 -1.161 5.853 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.245 0.500 7.012 1.00 0.45 H new ATOM 0 HE3 LYS A 49 2.837 1.114 7.856 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.197 -0.247 9.295 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.683 -0.978 9.065 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.046 -1.574 8.247 1.00 1.03 H new ATOM 783 N LEU A 50 -0.281 4.433 6.751 1.00 0.44 N ATOM 784 CA LEU A 50 -1.020 5.326 7.626 1.00 0.51 C ATOM 785 C LEU A 50 -2.141 6.032 6.864 1.00 0.44 C ATOM 786 O LEU A 50 -3.269 6.127 7.348 1.00 0.43 O ATOM 787 CB LEU A 50 -0.056 6.335 8.252 1.00 0.62 C ATOM 788 CG LEU A 50 0.978 5.726 9.203 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.809 6.817 9.855 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.293 4.871 10.258 1.00 0.75 C ATOM 0 H LEU A 50 0.673 4.737 6.555 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.486 4.744 8.421 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.469 6.859 7.453 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.635 7.081 8.796 1.00 0.62 H new ATOM 0 HG LEU A 50 1.645 5.087 8.624 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.539 6.366 10.528 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.329 7.387 9.085 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.157 7.482 10.421 1.00 2.08 H new ATOM 0 HD21 LEU A 50 1.043 4.446 10.925 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.397 5.487 10.834 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.258 4.066 9.772 1.00 0.75 H new ATOM 802 N THR A 51 -1.827 6.498 5.661 1.00 0.41 N ATOM 803 CA THR A 51 -2.803 7.165 4.814 1.00 0.40 C ATOM 804 C THR A 51 -3.863 6.194 4.329 1.00 0.35 C ATOM 805 O THR A 51 -5.038 6.535 4.260 1.00 0.34 O ATOM 806 CB THR A 51 -2.129 7.827 3.599 1.00 0.43 C ATOM 807 OG1 THR A 51 -1.170 6.934 3.016 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.445 9.110 4.011 1.00 0.54 C ATOM 0 H THR A 51 -0.897 6.424 5.250 1.00 0.41 H new ATOM 0 HA THR A 51 -3.276 7.936 5.422 1.00 0.40 H new ATOM 0 HB THR A 51 -2.898 8.056 2.861 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.284 6.038 3.396 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.973 9.566 3.141 1.00 0.54 H new ATOM 0 HG22 THR A 51 -2.181 9.798 4.427 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.686 8.893 4.763 1.00 0.54 H new ATOM 816 N VAL A 52 -3.442 4.982 4.007 1.00 0.34 N ATOM 817 CA VAL A 52 -4.361 3.953 3.548 1.00 0.31 C ATOM 818 C VAL A 52 -5.223 3.456 4.696 1.00 0.27 C ATOM 819 O VAL A 52 -6.437 3.299 4.554 1.00 0.28 O ATOM 820 CB VAL A 52 -3.592 2.785 2.890 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.514 1.628 2.576 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.900 3.254 1.621 1.00 0.43 C ATOM 0 H VAL A 52 -2.467 4.686 4.055 1.00 0.34 H new ATOM 0 HA VAL A 52 -5.017 4.391 2.795 1.00 0.31 H new ATOM 0 HB VAL A 52 -2.841 2.440 3.601 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -3.943 0.823 2.114 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -4.971 1.267 3.497 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.293 1.960 1.890 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.363 2.420 1.170 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.644 3.629 0.918 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.196 4.050 1.863 1.00 0.43 H new ATOM 832 N GLY A 53 -4.587 3.227 5.834 1.00 0.27 N ATOM 833 CA GLY A 53 -5.312 2.894 7.040 1.00 0.30 C ATOM 834 C GLY A 53 -6.367 3.934 7.353 1.00 0.27 C ATOM 835 O GLY A 53 -7.502 3.601 7.694 1.00 0.27 O ATOM 0 H GLY A 53 -3.574 3.266 5.943 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.783 1.918 6.926 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.616 2.816 7.875 1.00 0.30 H new ATOM 839 N ARG A 54 -5.994 5.200 7.233 1.00 0.27 N ATOM 840 CA ARG A 54 -6.928 6.292 7.455 1.00 0.27 C ATOM 841 C ARG A 54 -7.886 6.496 6.298 1.00 0.24 C ATOM 842 O ARG A 54 -8.889 7.184 6.447 1.00 0.25 O ATOM 843 CB ARG A 54 -6.213 7.585 7.796 1.00 0.38 C ATOM 844 CG ARG A 54 -5.818 7.658 9.257 1.00 0.89 C ATOM 845 CD ARG A 54 -4.614 8.558 9.460 1.00 1.02 C ATOM 846 NE ARG A 54 -4.101 8.501 10.825 1.00 1.79 N ATOM 847 CZ ARG A 54 -4.236 9.479 11.718 1.00 2.26 C ATOM 848 NH1 ARG A 54 -4.904 10.584 11.407 1.00 2.18 N ATOM 849 NH2 ARG A 54 -3.695 9.352 12.920 1.00 3.18 N ATOM 0 H ARG A 54 -5.050 5.495 6.983 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.528 5.998 8.316 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.321 7.678 7.176 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.859 8.429 7.554 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -6.657 8.032 9.844 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -5.592 6.657 9.625 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.825 8.267 8.766 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -4.887 9.586 9.220 1.00 1.02 H new ATOM 0 HE ARG A 54 -3.607 7.657 11.114 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -5.317 10.687 10.480 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -5.004 11.330 12.095 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -3.177 8.507 13.159 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -3.797 10.099 13.607 1.00 3.18 H new ATOM 863 N MET A 55 -7.577 5.941 5.144 1.00 0.23 N ATOM 864 CA MET A 55 -8.520 5.975 4.045 1.00 0.24 C ATOM 865 C MET A 55 -9.616 4.959 4.314 1.00 0.21 C ATOM 866 O MET A 55 -10.795 5.220 4.086 1.00 0.23 O ATOM 867 CB MET A 55 -7.843 5.700 2.706 1.00 0.28 C ATOM 868 CG MET A 55 -8.722 6.077 1.531 1.00 0.34 C ATOM 869 SD MET A 55 -9.203 7.812 1.581 1.00 0.68 S ATOM 870 CE MET A 55 -10.572 7.808 0.430 1.00 0.41 C ATOM 0 H MET A 55 -6.696 5.468 4.944 1.00 0.23 H new ATOM 0 HA MET A 55 -8.948 6.975 3.978 1.00 0.24 H new ATOM 0 HB2 MET A 55 -6.908 6.258 2.652 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.587 4.643 2.641 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.191 5.874 0.601 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.615 5.453 1.531 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.868 8.834 0.213 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.270 7.314 -0.493 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.414 7.273 0.868 1.00 0.41 H new ATOM 880 N VAL A 56 -9.212 3.804 4.831 1.00 0.20 N ATOM 881 CA VAL A 56 -10.157 2.831 5.354 1.00 0.22 C ATOM 882 C VAL A 56 -10.931 3.459 6.506 1.00 0.21 C ATOM 883 O VAL A 56 -12.139 3.260 6.648 1.00 0.25 O ATOM 884 CB VAL A 56 -9.436 1.557 5.849 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.428 0.588 6.478 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.680 0.893 4.705 1.00 0.26 C ATOM 0 H VAL A 56 -8.234 3.521 4.898 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.837 2.543 4.552 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.714 1.845 6.613 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -9.900 -0.302 6.820 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -10.918 1.068 7.326 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.178 0.304 5.739 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.178 -0.002 5.072 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.381 0.619 3.916 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -7.939 1.587 4.307 1.00 0.26 H new ATOM 896 N THR A 57 -10.223 4.251 7.305 1.00 0.19 N ATOM 897 CA THR A 57 -10.833 4.991 8.394 1.00 0.22 C ATOM 898 C THR A 57 -11.875 5.970 7.849 1.00 0.21 C ATOM 899 O THR A 57 -12.969 6.081 8.387 1.00 0.25 O ATOM 900 CB THR A 57 -9.772 5.750 9.216 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.818 4.819 9.752 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.410 6.531 10.357 1.00 0.33 C ATOM 0 H THR A 57 -9.217 4.395 7.214 1.00 0.19 H new ATOM 0 HA THR A 57 -11.325 4.276 9.053 1.00 0.22 H new ATOM 0 HB THR A 57 -9.273 6.456 8.553 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.412 4.309 9.020 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.635 7.055 10.917 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.117 7.255 9.952 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.935 5.843 11.020 1.00 0.33 H new ATOM 910 N SER A 58 -11.527 6.651 6.758 1.00 0.24 N ATOM 911 CA SER A 58 -12.420 7.614 6.118 1.00 0.28 C ATOM 912 C SER A 58 -13.741 6.958 5.705 1.00 0.26 C ATOM 913 O SER A 58 -14.816 7.486 5.986 1.00 0.32 O ATOM 914 CB SER A 58 -11.734 8.242 4.898 1.00 0.34 C ATOM 915 OG SER A 58 -12.472 9.344 4.394 1.00 1.20 O ATOM 0 H SER A 58 -10.623 6.551 6.296 1.00 0.24 H new ATOM 0 HA SER A 58 -12.646 8.397 6.842 1.00 0.28 H new ATOM 0 HB2 SER A 58 -10.731 8.570 5.172 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.621 7.491 4.116 1.00 0.34 H new ATOM 0 HG SER A 58 -12.007 9.722 3.618 1.00 1.20 H new ATOM 921 N LEU A 59 -13.663 5.804 5.051 1.00 0.23 N ATOM 922 CA LEU A 59 -14.868 5.084 4.634 1.00 0.23 C ATOM 923 C LEU A 59 -15.602 4.516 5.843 1.00 0.23 C ATOM 924 O LEU A 59 -16.828 4.405 5.846 1.00 0.30 O ATOM 925 CB LEU A 59 -14.536 3.969 3.632 1.00 0.29 C ATOM 926 CG LEU A 59 -14.373 4.418 2.170 1.00 0.34 C ATOM 927 CD1 LEU A 59 -15.583 5.213 1.720 1.00 1.39 C ATOM 928 CD2 LEU A 59 -13.106 5.235 1.980 1.00 1.45 C ATOM 0 H LEU A 59 -12.787 5.347 4.798 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.523 5.797 4.134 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.614 3.483 3.949 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.324 3.218 3.677 1.00 0.29 H new ATOM 0 HG LEU A 59 -14.291 3.522 1.555 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -15.450 5.522 0.683 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -16.476 4.594 1.802 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -15.694 6.095 2.351 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -13.021 5.537 0.936 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.147 6.122 2.612 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -12.240 4.633 2.256 1.00 1.45 H new ATOM 940 N LEU A 60 -14.847 4.172 6.878 1.00 0.20 N ATOM 941 CA LEU A 60 -15.423 3.667 8.121 1.00 0.23 C ATOM 942 C LEU A 60 -16.117 4.801 8.886 1.00 0.28 C ATOM 943 O LEU A 60 -16.774 4.574 9.902 1.00 0.33 O ATOM 944 CB LEU A 60 -14.323 3.029 8.982 1.00 0.24 C ATOM 945 CG LEU A 60 -14.661 1.671 9.616 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.730 1.815 10.686 1.00 1.43 C ATOM 947 CD2 LEU A 60 -15.110 0.683 8.549 1.00 0.59 C ATOM 0 H LEU A 60 -13.829 4.233 6.883 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.169 2.908 7.885 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.432 2.907 8.365 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.065 3.725 9.780 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.758 1.289 10.091 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -15.948 0.838 11.116 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.374 2.485 11.469 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.636 2.226 10.242 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -15.346 -0.274 9.015 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.996 1.069 8.045 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -14.310 0.545 7.821 1.00 0.59 H new ATOM 959 N GLU A 61 -15.990 6.021 8.375 1.00 0.32 N ATOM 960 CA GLU A 61 -16.611 7.187 8.991 1.00 0.42 C ATOM 961 C GLU A 61 -17.937 7.506 8.304 1.00 0.45 C ATOM 962 O GLU A 61 -18.494 8.588 8.479 1.00 0.59 O ATOM 963 CB GLU A 61 -15.682 8.406 8.923 1.00 0.56 C ATOM 964 CG GLU A 61 -14.415 8.275 9.755 1.00 0.77 C ATOM 965 CD GLU A 61 -14.686 8.161 11.242 1.00 1.74 C ATOM 966 OE1 GLU A 61 -15.131 9.158 11.844 1.00 2.46 O ATOM 967 OE2 GLU A 61 -14.449 7.077 11.817 1.00 2.36 O ATOM 0 H GLU A 61 -15.458 6.228 7.529 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.798 6.954 10.039 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -15.404 8.578 7.883 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -16.232 9.286 9.256 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.861 7.396 9.425 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -13.778 9.141 9.574 1.00 0.77 H new ATOM 974 N LYS A 62 -18.441 6.559 7.516 1.00 0.46 N ATOM 975 CA LYS A 62 -19.735 6.712 6.859 1.00 0.53 C ATOM 976 C LYS A 62 -20.549 5.468 7.117 1.00 0.43 C ATOM 977 O LYS A 62 -20.276 4.415 6.545 1.00 0.41 O ATOM 978 CB LYS A 62 -19.618 6.869 5.344 1.00 0.70 C ATOM 979 CG LYS A 62 -18.233 7.170 4.842 1.00 0.62 C ATOM 980 CD LYS A 62 -17.925 8.655 4.911 1.00 0.76 C ATOM 981 CE LYS A 62 -16.720 9.013 4.063 1.00 0.72 C ATOM 982 NZ LYS A 62 -16.584 10.483 3.896 1.00 0.97 N ATOM 0 H LYS A 62 -17.971 5.676 7.317 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.197 7.613 7.263 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -19.969 5.952 4.871 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -20.286 7.669 5.024 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.503 6.618 5.434 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.135 6.825 3.813 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -18.791 9.223 4.572 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -17.741 8.942 5.946 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -15.817 8.614 4.526 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.811 8.542 3.084 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -15.750 10.690 3.311 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -17.435 10.860 3.432 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -16.472 10.929 4.829 1.00 0.97 H new ATOM 996 N PRO A 63 -21.554 5.566 7.978 1.00 0.46 N ATOM 997 CA PRO A 63 -22.384 4.424 8.336 1.00 0.48 C ATOM 998 C PRO A 63 -23.043 3.773 7.118 1.00 0.42 C ATOM 999 O PRO A 63 -23.254 2.560 7.092 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.436 5.015 9.277 1.00 0.65 C ATOM 1001 CG PRO A 63 -22.841 6.286 9.778 1.00 0.69 C ATOM 1002 CD PRO A 63 -21.952 6.793 8.679 1.00 0.59 C ATOM 0 HA PRO A 63 -21.797 3.627 8.793 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.374 5.199 8.753 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.658 4.333 10.098 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -23.618 7.012 10.017 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -22.272 6.116 10.692 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.480 7.481 8.019 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.089 7.329 9.074 1.00 0.59 H new ATOM 1010 N SER A 64 -23.357 4.580 6.104 1.00 0.43 N ATOM 1011 CA SER A 64 -23.933 4.059 4.872 1.00 0.46 C ATOM 1012 C SER A 64 -22.914 3.191 4.132 1.00 0.42 C ATOM 1013 O SER A 64 -23.212 2.060 3.744 1.00 0.43 O ATOM 1014 CB SER A 64 -24.394 5.209 3.974 1.00 0.57 C ATOM 1015 OG SER A 64 -25.281 6.074 4.663 1.00 1.46 O ATOM 0 H SER A 64 -23.222 5.591 6.114 1.00 0.43 H new ATOM 0 HA SER A 64 -24.796 3.444 5.127 1.00 0.46 H new ATOM 0 HB2 SER A 64 -23.528 5.773 3.628 1.00 0.57 H new ATOM 0 HB3 SER A 64 -24.888 4.807 3.089 1.00 0.57 H new ATOM 0 HG SER A 64 -25.559 6.801 4.067 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.710 3.730 3.944 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.631 2.998 3.289 1.00 0.39 C ATOM 1023 C VAL A 65 -20.288 1.723 4.052 1.00 0.34 C ATOM 1024 O VAL A 65 -20.128 0.660 3.452 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.363 3.865 3.146 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.220 3.058 2.550 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.646 5.090 2.290 1.00 0.47 C ATOM 0 H VAL A 65 -21.459 4.674 4.238 1.00 0.40 H new ATOM 0 HA VAL A 65 -20.988 2.734 2.294 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.067 4.197 4.141 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.337 3.690 2.459 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -17.995 2.212 3.199 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.508 2.693 1.564 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -18.740 5.689 2.201 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -19.971 4.774 1.299 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.430 5.686 2.756 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.205 1.832 5.374 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.865 0.692 6.216 1.00 0.31 C ATOM 1039 C VAL A 66 -20.853 -0.449 6.006 1.00 0.32 C ATOM 1040 O VAL A 66 -20.450 -1.591 5.783 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.832 1.077 7.713 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.593 -0.149 8.583 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.761 2.124 7.973 1.00 0.34 C ATOM 0 H VAL A 66 -20.369 2.699 5.885 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.868 0.365 5.923 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.802 1.499 7.974 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.574 0.147 9.632 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.395 -0.870 8.424 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.639 -0.604 8.317 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.754 2.382 9.032 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.787 1.726 7.690 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -18.974 3.016 7.384 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.144 -0.129 6.043 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.187 -1.134 5.877 1.00 0.36 C ATOM 1055 C ALA A 67 -23.116 -1.791 4.507 1.00 0.32 C ATOM 1056 O ALA A 67 -23.422 -2.969 4.365 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.563 -0.524 6.081 1.00 0.41 C ATOM 0 H ALA A 67 -22.492 0.819 6.187 1.00 0.34 H new ATOM 0 HA ALA A 67 -23.020 -1.899 6.635 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.325 -1.293 5.952 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.632 -0.110 7.087 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.721 0.269 5.351 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.748 -1.019 3.492 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.603 -1.561 2.147 1.00 0.27 C ATOM 1065 C TYR A 68 -21.398 -2.478 2.024 1.00 0.23 C ATOM 1066 O TYR A 68 -21.453 -3.477 1.310 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.624 -0.461 1.094 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.043 -0.204 0.641 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.635 -1.023 -0.314 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -24.811 0.805 1.208 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -25.946 -0.838 -0.697 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -26.129 0.988 0.836 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.690 0.164 -0.119 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.003 0.331 -0.489 1.00 2.35 O ATOM 0 H TYR A 68 -22.546 -0.023 3.573 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.473 -2.189 1.954 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.193 0.453 1.503 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.009 -0.750 0.242 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.058 -1.818 -0.763 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.372 1.455 1.950 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.387 -1.477 -1.448 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -26.717 1.772 1.290 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.391 1.080 0.010 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.321 -2.141 2.713 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.141 -2.995 2.761 1.00 0.19 C ATOM 1086 C LEU A 69 -19.484 -4.383 3.315 1.00 0.24 C ATOM 1087 O LEU A 69 -19.076 -5.402 2.761 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.065 -2.325 3.609 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.551 -1.011 3.040 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.762 -0.238 4.087 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.701 -1.260 1.805 1.00 0.29 C ATOM 0 H LEU A 69 -20.237 -1.278 3.250 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.765 -3.133 1.747 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.465 -2.144 4.607 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.226 -3.012 3.721 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.411 -0.407 2.750 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.405 0.697 3.656 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.404 -0.023 4.941 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.911 -0.835 4.415 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.342 -0.309 1.412 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.850 -1.887 2.070 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.300 -1.763 1.046 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.228 -4.433 4.405 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.682 -5.716 4.941 1.00 0.43 C ATOM 1105 C GLU A 70 -21.832 -6.256 4.122 1.00 0.49 C ATOM 1106 O GLU A 70 -22.051 -7.462 4.041 1.00 0.60 O ATOM 1107 CB GLU A 70 -21.115 -5.585 6.393 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.513 -4.176 6.772 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.989 -4.060 8.203 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.357 -4.668 9.091 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -22.999 -3.373 8.450 1.00 1.26 O ATOM 0 H GLU A 70 -20.531 -3.616 4.935 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.842 -6.409 4.888 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.955 -6.255 6.576 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -20.300 -5.912 7.039 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.662 -3.512 6.623 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.304 -3.836 6.103 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.556 -5.337 3.514 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.725 -5.691 2.759 1.00 0.57 C ATOM 1120 C GLY A 71 -24.846 -6.114 3.665 1.00 0.69 C ATOM 1121 O GLY A 71 -25.740 -6.867 3.277 1.00 0.92 O ATOM 0 H GLY A 71 -22.348 -4.339 3.533 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -24.043 -4.841 2.155 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.485 -6.501 2.070 1.00 0.57 H new ATOM 1185 N PRO B 2 15.323 -13.734 -1.902 1.00 0.76 N ATOM 1186 CA PRO B 2 15.336 -12.563 -2.782 1.00 0.64 C ATOM 1187 C PRO B 2 16.142 -11.420 -2.175 1.00 0.58 C ATOM 1188 O PRO B 2 16.081 -11.175 -0.970 1.00 0.64 O ATOM 1189 CB PRO B 2 13.855 -12.174 -2.896 1.00 0.69 C ATOM 1190 CG PRO B 2 13.181 -12.857 -1.758 1.00 0.80 C ATOM 1191 CD PRO B 2 13.952 -14.122 -1.537 1.00 0.84 C ATOM 0 HA PRO B 2 15.799 -12.775 -3.745 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.727 -11.093 -2.838 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.437 -12.494 -3.850 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.188 -12.232 -0.865 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.137 -13.069 -1.990 1.00 0.80 H new ATOM 0 HD2 PRO B 2 13.889 -14.459 -0.502 1.00 0.84 H new ATOM 0 HD3 PRO B 2 13.582 -14.936 -2.161 1.00 0.84 H new ATOM 1199 N SER B 3 16.911 -10.736 -3.009 1.00 0.51 N ATOM 1200 CA SER B 3 17.731 -9.633 -2.545 1.00 0.47 C ATOM 1201 C SER B 3 16.854 -8.461 -2.105 1.00 0.40 C ATOM 1202 O SER B 3 15.668 -8.416 -2.437 1.00 0.37 O ATOM 1203 CB SER B 3 18.696 -9.194 -3.647 1.00 0.46 C ATOM 1204 OG SER B 3 19.292 -10.322 -4.278 1.00 0.59 O ATOM 0 H SER B 3 16.983 -10.927 -4.008 1.00 0.51 H new ATOM 0 HA SER B 3 18.311 -9.968 -1.685 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.162 -8.598 -4.387 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.472 -8.557 -3.224 1.00 0.46 H new ATOM 0 HG SER B 3 19.904 -10.018 -4.981 1.00 0.59 H new ATOM 1210 N LYS B 4 17.426 -7.525 -1.362 1.00 0.41 N ATOM 1211 CA LYS B 4 16.674 -6.373 -0.858 1.00 0.41 C ATOM 1212 C LYS B 4 15.928 -5.669 -1.994 1.00 0.29 C ATOM 1213 O LYS B 4 14.781 -5.246 -1.836 1.00 0.27 O ATOM 1214 CB LYS B 4 17.611 -5.362 -0.180 1.00 0.54 C ATOM 1215 CG LYS B 4 18.851 -5.972 0.467 1.00 0.84 C ATOM 1216 CD LYS B 4 19.709 -4.911 1.129 1.00 0.95 C ATOM 1217 CE LYS B 4 19.207 -4.570 2.512 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.423 -5.697 3.462 1.00 1.79 N ATOM 0 H LYS B 4 18.409 -7.536 -1.092 1.00 0.41 H new ATOM 0 HA LYS B 4 15.955 -6.748 -0.129 1.00 0.41 H new ATOM 0 HB2 LYS B 4 17.929 -4.629 -0.921 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.049 -4.822 0.582 1.00 0.54 H new ATOM 0 HG2 LYS B 4 18.550 -6.713 1.208 1.00 0.84 H new ATOM 0 HG3 LYS B 4 19.437 -6.496 -0.288 1.00 0.84 H new ATOM 0 HD2 LYS B 4 20.739 -5.263 1.192 1.00 0.95 H new ATOM 0 HD3 LYS B 4 19.716 -4.012 0.513 1.00 0.95 H new ATOM 0 HE2 LYS B 4 19.720 -3.680 2.878 1.00 0.62 H new ATOM 0 HE3 LYS B 4 18.145 -4.329 2.466 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 18.504 -6.087 3.752 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.984 -6.440 2.998 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 19.933 -5.352 4.300 1.00 1.79 H new ATOM 1232 N LEU B 5 16.582 -5.571 -3.144 1.00 0.26 N ATOM 1233 CA LEU B 5 16.005 -4.914 -4.305 1.00 0.21 C ATOM 1234 C LEU B 5 14.853 -5.724 -4.883 1.00 0.18 C ATOM 1235 O LEU B 5 13.885 -5.156 -5.376 1.00 0.17 O ATOM 1236 CB LEU B 5 17.090 -4.636 -5.348 1.00 0.22 C ATOM 1237 CG LEU B 5 16.623 -4.059 -6.681 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.579 -2.973 -7.140 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.534 -5.154 -7.734 1.00 0.32 C ATOM 0 H LEU B 5 17.520 -5.942 -3.296 1.00 0.26 H new ATOM 0 HA LEU B 5 15.588 -3.957 -3.992 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.813 -3.946 -4.912 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.619 -5.568 -5.547 1.00 0.22 H new ATOM 0 HG LEU B 5 15.632 -3.627 -6.545 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.238 -2.567 -8.092 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.610 -2.177 -6.396 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.577 -3.394 -7.262 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.199 -4.724 -8.678 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.515 -5.609 -7.870 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.824 -5.914 -7.409 1.00 0.32 H new ATOM 1251 N ALA B 6 14.952 -7.043 -4.821 1.00 0.22 N ATOM 1252 CA ALA B 6 13.832 -7.896 -5.197 1.00 0.26 C ATOM 1253 C ALA B 6 12.582 -7.512 -4.405 1.00 0.24 C ATOM 1254 O ALA B 6 11.472 -7.514 -4.938 1.00 0.27 O ATOM 1255 CB ALA B 6 14.175 -9.364 -4.986 1.00 0.35 C ATOM 0 H ALA B 6 15.787 -7.544 -4.517 1.00 0.22 H new ATOM 0 HA ALA B 6 13.628 -7.748 -6.257 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.324 -9.981 -5.273 1.00 0.35 H new ATOM 0 HB2 ALA B 6 15.038 -9.628 -5.598 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.409 -9.536 -3.935 1.00 0.35 H new ATOM 1261 N LEU B 7 12.774 -7.164 -3.134 1.00 0.22 N ATOM 1262 CA LEU B 7 11.668 -6.732 -2.284 1.00 0.22 C ATOM 1263 C LEU B 7 11.158 -5.348 -2.685 1.00 0.18 C ATOM 1264 O LEU B 7 9.968 -5.171 -2.934 1.00 0.19 O ATOM 1265 CB LEU B 7 12.097 -6.691 -0.815 1.00 0.24 C ATOM 1266 CG LEU B 7 12.059 -8.020 -0.056 1.00 0.29 C ATOM 1267 CD1 LEU B 7 13.051 -9.022 -0.630 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.341 -7.772 1.415 1.00 0.32 C ATOM 0 H LEU B 7 13.683 -7.173 -2.672 1.00 0.22 H new ATOM 0 HA LEU B 7 10.865 -7.458 -2.415 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.113 -6.299 -0.767 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.457 -5.981 -0.292 1.00 0.24 H new ATOM 0 HG LEU B 7 11.064 -8.451 -0.167 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.995 -9.953 -0.066 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.809 -9.216 -1.675 1.00 0.31 H new ATOM 0 HD13 LEU B 7 14.060 -8.615 -0.561 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.314 -8.718 1.955 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.326 -7.319 1.525 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.585 -7.100 1.822 1.00 0.32 H new ATOM 1280 N ILE B 8 12.063 -4.373 -2.753 1.00 0.16 N ATOM 1281 CA ILE B 8 11.682 -3.001 -3.102 1.00 0.15 C ATOM 1282 C ILE B 8 11.021 -2.936 -4.486 1.00 0.16 C ATOM 1283 O ILE B 8 10.111 -2.141 -4.703 1.00 0.18 O ATOM 1284 CB ILE B 8 12.875 -2.003 -2.994 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.084 -2.474 -3.788 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.251 -1.756 -1.537 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.136 -1.911 -5.189 1.00 0.23 C ATOM 0 H ILE B 8 13.058 -4.503 -2.573 1.00 0.16 H new ATOM 0 HA ILE B 8 10.944 -2.686 -2.364 1.00 0.15 H new ATOM 0 HB ILE B 8 12.544 -1.060 -3.430 1.00 0.16 H new ATOM 0 HG12 ILE B 8 14.992 -2.190 -3.256 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.073 -3.563 -3.842 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.086 -1.056 -1.490 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.396 -1.337 -1.007 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.541 -2.698 -1.071 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.023 -2.287 -5.700 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.245 -2.216 -5.737 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.178 -0.823 -5.142 1.00 0.23 H new ATOM 1299 N GLN B 9 11.465 -3.793 -5.403 1.00 0.16 N ATOM 1300 CA GLN B 9 10.899 -3.847 -6.751 1.00 0.20 C ATOM 1301 C GLN B 9 9.496 -4.454 -6.758 1.00 0.22 C ATOM 1302 O GLN B 9 8.637 -4.024 -7.524 1.00 0.25 O ATOM 1303 CB GLN B 9 11.804 -4.657 -7.683 1.00 0.22 C ATOM 1304 CG GLN B 9 12.997 -3.882 -8.214 1.00 0.27 C ATOM 1305 CD GLN B 9 12.605 -2.799 -9.203 1.00 0.99 C ATOM 1306 OE1 GLN B 9 13.266 -1.765 -9.303 1.00 1.94 O ATOM 1307 NE2 GLN B 9 11.542 -3.034 -9.960 1.00 1.38 N ATOM 0 H GLN B 9 12.217 -4.462 -5.237 1.00 0.16 H new ATOM 0 HA GLN B 9 10.829 -2.819 -7.107 1.00 0.20 H new ATOM 0 HB2 GLN B 9 12.164 -5.536 -7.149 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.213 -5.015 -8.526 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.530 -3.428 -7.379 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.688 -4.574 -8.695 1.00 0.27 H new ATOM 0 HE21 GLN B 9 11.019 -3.902 -9.849 1.00 1.38 H new ATOM 0 HE22 GLN B 9 11.248 -2.346 -10.653 1.00 1.38 H new ATOM 1316 N GLU B 10 9.274 -5.473 -5.934 1.00 0.23 N ATOM 1317 CA GLU B 10 7.977 -6.150 -5.899 1.00 0.27 C ATOM 1318 C GLU B 10 6.942 -5.374 -5.104 1.00 0.25 C ATOM 1319 O GLU B 10 5.751 -5.620 -5.262 1.00 0.28 O ATOM 1320 CB GLU B 10 8.090 -7.581 -5.363 1.00 0.31 C ATOM 1321 CG GLU B 10 8.391 -7.662 -3.877 1.00 0.31 C ATOM 1322 CD GLU B 10 8.137 -9.041 -3.309 1.00 0.39 C ATOM 1323 OE1 GLU B 10 6.971 -9.340 -2.971 1.00 1.09 O ATOM 1324 OE2 GLU B 10 9.093 -9.835 -3.204 1.00 1.23 O ATOM 0 H GLU B 10 9.967 -5.848 -5.286 1.00 0.23 H new ATOM 0 HA GLU B 10 7.638 -6.198 -6.934 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.157 -8.108 -5.564 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.875 -8.102 -5.911 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.432 -7.388 -3.705 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.778 -6.935 -3.345 1.00 0.31 H new ATOM 1331 N LEU B 11 7.394 -4.474 -4.234 1.00 0.22 N ATOM 1332 CA LEU B 11 6.484 -3.664 -3.419 1.00 0.21 C ATOM 1333 C LEU B 11 5.305 -3.115 -4.242 1.00 0.22 C ATOM 1334 O LEU B 11 4.163 -3.214 -3.802 1.00 0.21 O ATOM 1335 CB LEU B 11 7.228 -2.511 -2.734 1.00 0.21 C ATOM 1336 CG LEU B 11 8.313 -2.927 -1.742 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.926 -1.707 -1.079 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.749 -3.873 -0.696 1.00 0.19 C ATOM 0 H LEU B 11 8.383 -4.285 -4.073 1.00 0.22 H new ATOM 0 HA LEU B 11 6.080 -4.325 -2.653 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.683 -1.887 -3.503 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.500 -1.891 -2.211 1.00 0.21 H new ATOM 0 HG LEU B 11 9.095 -3.450 -2.292 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.697 -2.024 -0.376 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.370 -1.064 -1.839 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.152 -1.156 -0.545 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.538 -4.157 0.001 1.00 0.19 H new ATOM 0 HD22 LEU B 11 6.946 -3.376 -0.152 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.358 -4.765 -1.185 1.00 0.19 H new ATOM 1350 N PRO B 12 5.546 -2.523 -5.440 1.00 0.23 N ATOM 1351 CA PRO B 12 4.464 -2.061 -6.320 1.00 0.26 C ATOM 1352 C PRO B 12 3.430 -3.139 -6.659 1.00 0.27 C ATOM 1353 O PRO B 12 2.232 -2.860 -6.704 1.00 0.29 O ATOM 1354 CB PRO B 12 5.194 -1.608 -7.585 1.00 0.32 C ATOM 1355 CG PRO B 12 6.550 -1.229 -7.113 1.00 0.29 C ATOM 1356 CD PRO B 12 6.872 -2.191 -6.006 1.00 0.24 C ATOM 0 HA PRO B 12 3.881 -1.279 -5.833 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.240 -2.407 -8.325 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.687 -0.766 -8.056 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.280 -1.300 -7.919 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.568 -0.199 -6.756 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.382 -3.078 -6.381 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.525 -1.740 -5.259 1.00 0.24 H new ATOM 1364 N ASP B 13 3.887 -4.359 -6.903 1.00 0.27 N ATOM 1365 CA ASP B 13 2.987 -5.463 -7.232 1.00 0.29 C ATOM 1366 C ASP B 13 2.299 -5.983 -5.980 1.00 0.26 C ATOM 1367 O ASP B 13 1.121 -6.324 -5.991 1.00 0.25 O ATOM 1368 CB ASP B 13 3.751 -6.605 -7.907 1.00 0.35 C ATOM 1369 CG ASP B 13 4.097 -6.307 -9.353 1.00 1.17 C ATOM 1370 OD1 ASP B 13 5.116 -5.624 -9.602 1.00 2.01 O ATOM 1371 OD2 ASP B 13 3.355 -6.756 -10.251 1.00 1.70 O ATOM 0 H ASP B 13 4.875 -4.613 -6.880 1.00 0.27 H new ATOM 0 HA ASP B 13 2.234 -5.084 -7.923 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.668 -6.800 -7.352 1.00 0.35 H new ATOM 0 HB3 ASP B 13 3.151 -7.514 -7.862 1.00 0.35 H new ATOM 1376 N ARG B 14 3.063 -6.046 -4.909 1.00 0.27 N ATOM 1377 CA ARG B 14 2.572 -6.471 -3.607 1.00 0.27 C ATOM 1378 C ARG B 14 1.464 -5.536 -3.125 1.00 0.24 C ATOM 1379 O ARG B 14 0.441 -5.982 -2.608 1.00 0.25 O ATOM 1380 CB ARG B 14 3.755 -6.467 -2.634 1.00 0.31 C ATOM 1381 CG ARG B 14 3.670 -7.466 -1.496 1.00 0.42 C ATOM 1382 CD ARG B 14 4.988 -7.495 -0.734 1.00 0.37 C ATOM 1383 NE ARG B 14 4.949 -8.349 0.451 1.00 0.86 N ATOM 1384 CZ ARG B 14 5.718 -9.424 0.618 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.480 -9.864 -0.380 1.00 1.20 N ATOM 1386 NH2 ARG B 14 5.717 -10.067 1.777 1.00 1.04 N ATOM 0 H ARG B 14 4.053 -5.802 -4.914 1.00 0.27 H new ATOM 0 HA ARG B 14 2.147 -7.473 -3.669 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.667 -6.662 -3.198 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.850 -5.467 -2.210 1.00 0.31 H new ATOM 0 HG2 ARG B 14 2.856 -7.196 -0.823 1.00 0.42 H new ATOM 0 HG3 ARG B 14 3.444 -8.458 -1.887 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.777 -7.844 -1.400 1.00 0.37 H new ATOM 0 HD3 ARG B 14 5.249 -6.480 -0.434 1.00 0.37 H new ATOM 0 HE ARG B 14 4.294 -8.108 1.195 1.00 0.86 H new ATOM 0 HH11 ARG B 14 6.477 -9.378 -1.277 1.00 1.20 H new ATOM 0 HH12 ARG B 14 7.067 -10.687 -0.248 1.00 1.20 H new ATOM 0 HH21 ARG B 14 5.127 -9.739 2.542 1.00 1.04 H new ATOM 0 HH22 ARG B 14 6.306 -10.890 1.904 1.00 1.04 H new ATOM 1400 N ILE B 15 1.666 -4.239 -3.318 1.00 0.22 N ATOM 1401 CA ILE B 15 0.659 -3.247 -2.971 1.00 0.22 C ATOM 1402 C ILE B 15 -0.483 -3.304 -3.973 1.00 0.21 C ATOM 1403 O ILE B 15 -1.639 -3.045 -3.636 1.00 0.21 O ATOM 1404 CB ILE B 15 1.269 -1.822 -2.896 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.679 -1.054 -1.707 1.00 0.26 C ATOM 1406 CG2 ILE B 15 1.078 -1.046 -4.195 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.699 -0.488 -1.932 1.00 0.29 C ATOM 0 H ILE B 15 2.521 -3.849 -3.714 1.00 0.22 H new ATOM 0 HA ILE B 15 0.269 -3.480 -1.980 1.00 0.22 H new ATOM 0 HB ILE B 15 2.343 -1.931 -2.748 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.645 -1.720 -0.845 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.353 -0.237 -1.452 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.521 -0.055 -4.095 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.563 -1.580 -5.012 1.00 0.21 H new ATOM 0 HG23 ILE B 15 0.013 -0.948 -4.407 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -1.028 0.036 -1.035 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.674 0.208 -2.770 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.393 -1.298 -2.154 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.153 -3.669 -5.206 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.157 -3.888 -6.223 1.00 0.24 C ATOM 1421 C GLN B 16 -2.120 -4.952 -5.743 1.00 0.23 C ATOM 1422 O GLN B 16 -3.320 -4.836 -5.937 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.509 -4.331 -7.531 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.470 -4.369 -8.709 1.00 0.92 C ATOM 1425 CD GLN B 16 -0.809 -4.817 -9.997 1.00 1.21 C ATOM 1426 OE1 GLN B 16 -1.449 -5.430 -10.852 1.00 1.80 O ATOM 1427 NE2 GLN B 16 0.466 -4.504 -10.151 1.00 1.82 N ATOM 0 H GLN B 16 0.806 -3.818 -5.520 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.692 -2.956 -6.404 1.00 0.24 H new ATOM 0 HB2 GLN B 16 0.313 -3.655 -7.766 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -0.077 -5.322 -7.394 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -2.295 -5.043 -8.477 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -1.899 -3.378 -8.853 1.00 0.92 H new ATOM 0 HE21 GLN B 16 0.958 -3.995 -9.417 1.00 1.82 H new ATOM 0 HE22 GLN B 16 0.957 -4.771 -11.004 1.00 1.82 H new ATOM 1436 N THR B 17 -1.580 -5.978 -5.096 1.00 0.24 N ATOM 1437 CA THR B 17 -2.404 -7.041 -4.543 1.00 0.26 C ATOM 1438 C THR B 17 -3.087 -6.605 -3.259 1.00 0.24 C ATOM 1439 O THR B 17 -4.251 -6.934 -3.024 1.00 0.34 O ATOM 1440 CB THR B 17 -1.593 -8.313 -4.257 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.551 -8.448 -5.227 1.00 0.32 O ATOM 1442 CG2 THR B 17 -2.485 -9.545 -4.308 1.00 0.43 C ATOM 0 H THR B 17 -0.578 -6.095 -4.943 1.00 0.24 H new ATOM 0 HA THR B 17 -3.155 -7.262 -5.302 1.00 0.26 H new ATOM 0 HB THR B 17 -1.164 -8.229 -3.258 1.00 0.31 H new ATOM 0 HG1 THR B 17 -0.034 -9.260 -5.041 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.889 -10.434 -4.102 1.00 0.43 H new ATOM 0 HG22 THR B 17 -3.273 -9.455 -3.560 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.933 -9.629 -5.298 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.361 -5.857 -2.439 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.901 -5.334 -1.194 1.00 0.21 C ATOM 1452 C ALA B 18 -4.178 -4.552 -1.454 1.00 0.19 C ATOM 1453 O ALA B 18 -5.087 -4.523 -0.630 1.00 0.25 O ATOM 1454 CB ALA B 18 -1.872 -4.449 -0.508 1.00 0.26 C ATOM 0 H ALA B 18 -1.390 -5.598 -2.617 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.137 -6.172 -0.539 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.287 -4.063 0.423 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -0.977 -5.032 -0.292 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.614 -3.617 -1.163 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.229 -3.935 -2.618 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.307 -3.035 -2.963 1.00 0.24 C ATOM 1462 C VAL B 19 -6.200 -3.560 -4.112 1.00 0.25 C ATOM 1463 O VAL B 19 -7.270 -3.005 -4.375 1.00 0.32 O ATOM 1464 CB VAL B 19 -4.677 -1.668 -3.305 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -5.679 -0.662 -3.783 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -3.939 -1.119 -2.098 1.00 1.78 C ATOM 0 H VAL B 19 -3.525 -4.044 -3.348 1.00 0.19 H new ATOM 0 HA VAL B 19 -5.983 -2.946 -2.112 1.00 0.24 H new ATOM 0 HB VAL B 19 -3.982 -1.842 -4.126 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -5.173 0.277 -4.007 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -6.168 -1.035 -4.683 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -6.426 -0.496 -3.007 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -3.498 -0.154 -2.349 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -4.637 -0.994 -1.270 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -3.151 -1.813 -1.806 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.804 -4.656 -4.764 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.555 -5.167 -5.920 1.00 0.31 C ATOM 1478 C GLU B 20 -7.920 -5.687 -5.496 1.00 0.31 C ATOM 1479 O GLU B 20 -8.878 -5.649 -6.268 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.769 -6.255 -6.668 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.527 -7.540 -5.885 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.566 -8.608 -6.162 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -6.703 -9.014 -7.335 1.00 1.61 O ATOM 1484 OE2 GLU B 20 -7.241 -9.056 -5.211 1.00 1.66 O ATOM 0 H GLU B 20 -4.979 -5.203 -4.518 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.703 -4.333 -6.606 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.306 -6.503 -7.584 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -4.805 -5.843 -6.965 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.539 -7.929 -6.133 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -5.522 -7.314 -4.819 1.00 0.42 H new ATOM 1491 N ALA B 21 -7.987 -6.174 -4.266 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.246 -6.603 -3.681 1.00 0.33 C ATOM 1493 C ALA B 21 -10.260 -5.466 -3.714 1.00 0.27 C ATOM 1494 O ALA B 21 -11.393 -5.635 -4.162 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.020 -7.082 -2.254 1.00 0.38 C ATOM 0 H ALA B 21 -7.180 -6.282 -3.652 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.645 -7.432 -4.266 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -9.969 -7.402 -1.823 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.322 -7.920 -2.258 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.607 -6.268 -1.658 1.00 0.38 H new ATOM 1501 N ALA B 22 -9.828 -4.298 -3.263 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.686 -3.123 -3.212 1.00 0.27 C ATOM 1503 C ALA B 22 -10.920 -2.533 -4.599 1.00 0.27 C ATOM 1504 O ALA B 22 -11.965 -1.934 -4.861 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.092 -2.079 -2.291 1.00 0.33 C ATOM 0 H ALA B 22 -8.879 -4.138 -2.924 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.653 -3.438 -2.820 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -10.744 -1.206 -2.262 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -9.995 -2.492 -1.287 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.109 -1.786 -2.659 1.00 0.33 H new ATOM 1511 N MET B 23 -9.936 -2.660 -5.479 1.00 0.28 N ATOM 1512 CA MET B 23 -10.086 -2.174 -6.845 1.00 0.32 C ATOM 1513 C MET B 23 -11.112 -3.013 -7.594 1.00 0.33 C ATOM 1514 O MET B 23 -11.963 -2.479 -8.304 1.00 0.37 O ATOM 1515 CB MET B 23 -8.749 -2.177 -7.586 1.00 0.35 C ATOM 1516 CG MET B 23 -7.739 -1.172 -7.049 1.00 0.41 C ATOM 1517 SD MET B 23 -8.406 0.498 -6.891 1.00 0.76 S ATOM 1518 CE MET B 23 -8.761 0.545 -5.137 1.00 0.77 C ATOM 0 H MET B 23 -9.034 -3.091 -5.275 1.00 0.28 H new ATOM 0 HA MET B 23 -10.439 -1.144 -6.799 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.317 -3.176 -7.530 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.929 -1.967 -8.640 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.386 -1.508 -6.074 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.873 -1.149 -7.711 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.628 1.561 -4.766 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.790 0.228 -4.965 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.082 -0.126 -4.610 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.042 -4.324 -7.415 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.021 -5.209 -8.016 1.00 0.39 C ATOM 1530 C GLY B 24 -13.265 -5.348 -7.159 1.00 0.43 C ATOM 1531 O GLY B 24 -13.870 -6.418 -7.090 1.00 0.63 O ATOM 0 H GLY B 24 -10.323 -4.792 -6.863 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.299 -4.828 -8.999 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.575 -6.192 -8.169 1.00 0.39 H new ATOM 1535 N MET B 25 -13.643 -4.262 -6.505 1.00 0.42 N ATOM 1536 CA MET B 25 -14.808 -4.248 -5.633 1.00 0.46 C ATOM 1537 C MET B 25 -16.055 -3.848 -6.402 1.00 0.44 C ATOM 1538 O MET B 25 -16.047 -2.871 -7.143 1.00 0.48 O ATOM 1539 CB MET B 25 -14.587 -3.273 -4.483 1.00 0.59 C ATOM 1540 CG MET B 25 -15.742 -3.227 -3.511 1.00 0.60 C ATOM 1541 SD MET B 25 -15.286 -3.768 -1.861 1.00 0.99 S ATOM 1542 CE MET B 25 -14.589 -2.254 -1.221 1.00 0.45 C ATOM 0 H MET B 25 -13.154 -3.369 -6.562 1.00 0.42 H new ATOM 0 HA MET B 25 -14.948 -5.254 -5.238 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.680 -3.553 -3.947 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.422 -2.275 -4.888 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.128 -2.209 -3.461 1.00 0.60 H new ATOM 0 HG3 MET B 25 -16.550 -3.856 -3.884 1.00 0.60 H new ATOM 0 HE1 MET B 25 -13.637 -2.469 -0.735 1.00 0.45 H new ATOM 0 HE2 MET B 25 -14.428 -1.553 -2.040 1.00 0.45 H new ATOM 0 HE3 MET B 25 -15.275 -1.815 -0.497 1.00 0.45 H new ATOM 1552 N SER B 26 -17.128 -4.600 -6.217 1.00 0.51 N ATOM 1553 CA SER B 26 -18.405 -4.265 -6.823 1.00 0.60 C ATOM 1554 C SER B 26 -19.147 -3.239 -5.971 1.00 0.83 C ATOM 1555 O SER B 26 -20.212 -3.506 -5.419 1.00 1.79 O ATOM 1556 CB SER B 26 -19.235 -5.524 -6.980 1.00 0.63 C ATOM 1557 OG SER B 26 -19.295 -6.238 -5.754 1.00 1.43 O ATOM 0 H SER B 26 -17.139 -5.448 -5.651 1.00 0.51 H new ATOM 0 HA SER B 26 -18.231 -3.827 -7.806 1.00 0.60 H new ATOM 0 HB2 SER B 26 -20.242 -5.264 -7.306 1.00 0.63 H new ATOM 0 HB3 SER B 26 -18.803 -6.157 -7.755 1.00 0.63 H new ATOM 0 HG SER B 26 -19.836 -7.047 -5.873 1.00 1.43 H new ATOM 1563 N TYR B 27 -18.561 -2.068 -5.862 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.103 -1.005 -5.031 1.00 0.47 C ATOM 1565 C TYR B 27 -20.267 -0.309 -5.735 1.00 0.48 C ATOM 1566 O TYR B 27 -21.008 0.449 -5.118 1.00 0.54 O ATOM 1567 CB TYR B 27 -17.999 0.006 -4.712 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.447 0.668 -5.950 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.540 0.014 -6.763 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -17.881 1.924 -6.330 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -16.077 0.592 -7.918 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -17.421 2.523 -7.479 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.521 1.850 -8.279 1.00 0.54 C ATOM 1574 OH TYR B 27 -16.060 2.438 -9.434 1.00 0.68 O ATOM 0 H TYR B 27 -17.697 -1.821 -6.344 1.00 0.48 H new ATOM 0 HA TYR B 27 -19.477 -1.438 -4.103 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.393 0.769 -4.041 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.191 -0.498 -4.182 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.190 -0.969 -6.484 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -18.596 2.446 -5.712 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -15.369 0.067 -8.542 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -17.761 3.511 -7.753 1.00 1.39 H new ATOM 0 HH TYR B 27 -16.473 3.320 -9.539 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.435 -0.597 -7.025 1.00 0.53 N ATOM 1585 CA GLN B 28 -21.476 0.042 -7.831 1.00 0.62 C ATOM 1586 C GLN B 28 -22.838 -0.535 -7.483 1.00 0.70 C ATOM 1587 O GLN B 28 -23.873 -0.022 -7.903 1.00 0.86 O ATOM 1588 CB GLN B 28 -21.198 -0.152 -9.320 1.00 0.72 C ATOM 1589 CG GLN B 28 -19.727 -0.045 -9.670 1.00 1.34 C ATOM 1590 CD GLN B 28 -19.481 0.017 -11.163 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -19.425 1.100 -11.748 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -19.332 -1.138 -11.788 1.00 2.12 N ATOM 0 H GLN B 28 -19.863 -1.270 -7.536 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.473 1.109 -7.610 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -21.568 -1.130 -9.628 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -21.755 0.593 -9.888 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -19.311 0.846 -9.201 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -19.196 -0.902 -9.254 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -19.386 -2.012 -11.265 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -19.163 -1.156 -12.794 1.00 2.12 H new ATOM 1601 N ASP B 29 -22.815 -1.617 -6.718 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.026 -2.218 -6.186 1.00 0.84 C ATOM 1603 C ASP B 29 -24.634 -1.294 -5.129 1.00 0.69 C ATOM 1604 O ASP B 29 -25.806 -1.406 -4.765 1.00 0.84 O ATOM 1605 CB ASP B 29 -23.689 -3.602 -5.604 1.00 1.06 C ATOM 1606 CG ASP B 29 -24.750 -4.154 -4.672 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -25.860 -4.488 -5.139 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -24.466 -4.279 -3.462 1.00 2.56 O ATOM 0 H ASP B 29 -21.958 -2.101 -6.450 1.00 0.69 H new ATOM 0 HA ASP B 29 -24.764 -2.351 -6.977 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -23.540 -4.304 -6.425 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -22.744 -3.538 -5.065 1.00 1.06 H new ATOM 1613 N ALA B 30 -23.821 -0.354 -4.671 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.241 0.635 -3.697 1.00 0.53 C ATOM 1615 C ALA B 30 -24.644 1.934 -4.401 1.00 0.54 C ATOM 1616 O ALA B 30 -24.247 2.154 -5.547 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.106 0.884 -2.716 1.00 0.46 C ATOM 0 H ALA B 30 -22.850 -0.258 -4.967 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.109 0.265 -3.151 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.416 1.627 -1.981 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.854 -0.046 -2.207 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.233 1.250 -3.256 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.448 2.799 -3.740 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.832 4.101 -4.293 1.00 0.63 C ATOM 1625 C PRO B 31 -24.641 4.946 -4.704 1.00 0.53 C ATOM 1626 O PRO B 31 -23.506 4.661 -4.318 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.544 4.824 -3.161 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.847 3.805 -2.115 1.00 0.62 C ATOM 1629 CD PRO B 31 -26.062 2.554 -2.428 1.00 0.51 C ATOM 0 HA PRO B 31 -26.439 3.950 -5.186 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.917 5.618 -2.756 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.460 5.293 -3.519 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.580 4.183 -1.128 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.915 3.588 -2.095 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.304 2.365 -1.668 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.711 1.679 -2.455 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.909 6.009 -5.443 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.852 6.857 -5.969 1.00 0.62 C ATOM 1639 C ASN B 32 -22.929 7.385 -4.872 1.00 0.59 C ATOM 1640 O ASN B 32 -21.757 7.084 -4.897 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.421 8.018 -6.797 1.00 0.73 C ATOM 1642 CG ASN B 32 -25.411 8.894 -6.047 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.028 9.874 -5.412 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -26.687 8.558 -6.114 1.00 2.04 N ATOM 0 H ASN B 32 -25.852 6.306 -5.693 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.252 6.227 -6.626 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -23.596 8.639 -7.146 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -24.911 7.612 -7.682 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -27.388 9.119 -5.630 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -26.971 7.738 -6.650 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.443 8.114 -3.890 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.577 8.818 -2.934 1.00 0.61 C ATOM 1653 C ASN B 33 -21.668 7.856 -2.169 1.00 0.53 C ATOM 1654 O ASN B 33 -20.488 8.138 -1.966 1.00 0.50 O ATOM 1655 CB ASN B 33 -23.414 9.648 -1.965 1.00 0.72 C ATOM 1656 CG ASN B 33 -22.588 10.308 -0.868 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -23.029 10.413 0.280 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -21.408 10.798 -1.216 1.00 2.16 N ATOM 0 H ASN B 33 -24.443 8.237 -3.729 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.934 9.486 -3.508 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -23.946 10.419 -2.523 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -24.168 9.008 -1.507 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -20.832 11.280 -0.526 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -21.075 10.693 -2.174 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.195 6.704 -1.789 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.394 5.737 -1.052 1.00 0.50 C ATOM 1667 C VAL B 34 -20.378 5.084 -1.974 1.00 0.43 C ATOM 1668 O VAL B 34 -19.211 4.954 -1.624 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.249 4.682 -0.331 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.091 5.347 0.738 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -23.132 3.932 -1.298 1.00 0.59 C ATOM 0 H VAL B 34 -23.156 6.417 -1.974 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.864 6.284 -0.272 1.00 0.50 H new ATOM 0 HB VAL B 34 -21.577 3.960 0.133 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -23.695 4.595 1.246 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -22.440 5.838 1.461 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -23.745 6.087 0.278 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.722 3.194 -0.755 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.799 4.633 -1.800 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.513 3.426 -2.039 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.813 4.735 -3.175 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.928 4.161 -4.170 1.00 0.44 C ATOM 1683 C ARG B 35 -18.947 5.215 -4.672 1.00 0.39 C ATOM 1684 O ARG B 35 -17.910 4.880 -5.213 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.702 3.500 -5.318 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.339 4.443 -6.312 1.00 0.52 C ATOM 1687 CD ARG B 35 -22.102 3.656 -7.355 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.850 4.514 -8.265 1.00 1.08 N ATOM 1689 CZ ARG B 35 -24.086 4.249 -8.677 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.744 3.205 -8.192 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -24.673 5.045 -9.561 1.00 2.15 N ATOM 0 H ARG B 35 -21.780 4.841 -3.483 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.356 3.364 -3.695 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.022 2.840 -5.857 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.483 2.872 -4.890 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.012 5.128 -5.796 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.572 5.051 -6.792 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.404 3.046 -7.928 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.790 2.972 -6.858 1.00 0.59 H new ATOM 0 HE ARG B 35 -22.401 5.364 -8.604 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -24.302 2.601 -7.499 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -25.692 3.006 -8.512 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -24.176 5.859 -9.923 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -25.621 4.843 -9.878 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.337 6.485 -4.589 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.449 7.608 -4.896 1.00 0.36 C ATOM 1707 C ARG B 36 -17.417 7.809 -3.802 1.00 0.34 C ATOM 1708 O ARG B 36 -16.321 8.295 -4.050 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.235 8.883 -5.136 1.00 0.41 C ATOM 1710 CG ARG B 36 -20.036 8.805 -6.410 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.308 9.351 -7.613 1.00 0.75 C ATOM 1712 NE ARG B 36 -17.927 9.756 -7.344 1.00 1.40 N ATOM 1713 CZ ARG B 36 -17.538 11.025 -7.207 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -18.439 11.998 -7.138 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -16.249 11.316 -7.101 1.00 2.88 N ATOM 0 H ARG B 36 -20.276 6.766 -4.307 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.919 7.362 -5.816 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -19.904 9.063 -4.295 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.551 9.730 -5.186 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.304 7.765 -6.598 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -20.968 9.355 -6.278 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -19.307 8.594 -8.398 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -19.858 10.209 -7.998 1.00 0.75 H new ATOM 0 HE ARG B 36 -17.221 9.025 -7.256 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -19.433 11.777 -7.190 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -18.137 12.967 -7.033 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -15.554 10.570 -7.124 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -15.952 12.286 -6.996 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.791 7.515 -2.577 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.808 7.466 -1.505 1.00 0.34 C ATOM 1731 C ASP B 37 -15.918 6.246 -1.709 1.00 0.28 C ATOM 1732 O ASP B 37 -14.739 6.252 -1.355 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.463 7.458 -0.124 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.223 8.762 0.618 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.051 9.197 0.707 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -18.200 9.357 1.119 1.00 1.47 O ATOM 0 H ASP B 37 -18.750 7.309 -2.296 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.200 8.370 -1.544 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.535 7.292 -0.230 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.068 6.628 0.462 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.492 5.201 -2.304 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.704 4.091 -2.831 1.00 0.24 C ATOM 1743 C LEU B 38 -14.889 4.568 -4.035 1.00 0.23 C ATOM 1744 O LEU B 38 -13.828 4.029 -4.326 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.595 2.915 -3.252 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.908 1.861 -2.182 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.657 1.435 -1.457 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -17.925 2.355 -1.191 1.00 0.49 C ATOM 0 H LEU B 38 -17.499 5.101 -2.432 1.00 0.26 H new ATOM 0 HA LEU B 38 -15.039 3.745 -2.039 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.540 3.319 -3.616 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -16.118 2.412 -4.093 1.00 0.33 H new ATOM 0 HG LEU B 38 -17.328 1.000 -2.702 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -15.909 0.688 -0.705 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -14.951 1.009 -2.170 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.205 2.300 -0.972 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.118 1.579 -0.451 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -17.544 3.246 -0.692 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.851 2.599 -1.711 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.422 5.562 -4.749 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.693 6.226 -5.826 1.00 0.26 C ATOM 1762 C ASP B 39 -13.469 6.920 -5.245 1.00 0.24 C ATOM 1763 O ASP B 39 -12.379 6.859 -5.803 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.567 7.234 -6.571 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.784 8.057 -7.577 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.396 7.510 -8.630 1.00 1.53 O ATOM 1767 OD2 ASP B 39 -14.569 9.261 -7.320 1.00 1.50 O ATOM 0 H ASP B 39 -16.363 5.925 -4.597 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.387 5.470 -6.549 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.368 6.703 -7.086 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -16.039 7.902 -5.850 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.677 7.565 -4.098 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.597 8.162 -3.324 1.00 0.24 C ATOM 1774 C ASN B 40 -11.620 7.088 -2.886 1.00 0.24 C ATOM 1775 O ASN B 40 -10.411 7.257 -3.008 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.146 8.890 -2.090 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.977 10.110 -2.437 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.737 10.774 -3.446 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -14.961 10.420 -1.605 1.00 1.29 N ATOM 0 H ASN B 40 -14.600 7.687 -3.682 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.085 8.887 -3.957 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.754 8.197 -1.508 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.314 9.194 -1.455 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.549 11.232 -1.791 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.130 9.846 -0.779 1.00 1.29 H new ATOM 1786 N LEU B 41 -12.156 5.978 -2.380 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.333 4.838 -1.998 1.00 0.28 C ATOM 1788 C LEU B 41 -10.512 4.370 -3.191 1.00 0.30 C ATOM 1789 O LEU B 41 -9.331 4.076 -3.067 1.00 0.37 O ATOM 1790 CB LEU B 41 -12.200 3.686 -1.481 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.421 2.508 -0.889 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.750 2.912 0.413 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.332 1.314 -0.667 1.00 1.04 C ATOM 0 H LEU B 41 -13.156 5.847 -2.226 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.664 5.152 -1.197 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.878 4.074 -0.720 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.818 3.319 -2.301 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.649 2.220 -1.603 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -10.201 2.062 0.819 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -10.059 3.734 0.226 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -11.508 3.230 1.129 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.756 0.490 -0.246 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -13.130 1.589 0.023 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.765 1.005 -1.618 1.00 1.04 H new ATOM 1805 N HIS B 42 -11.145 4.327 -4.354 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.479 3.901 -5.572 1.00 0.32 C ATOM 1807 C HIS B 42 -9.386 4.862 -5.969 1.00 0.38 C ATOM 1808 O HIS B 42 -8.238 4.461 -6.109 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.480 3.736 -6.713 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.996 2.343 -6.802 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.532 1.794 -7.942 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -12.011 1.370 -5.873 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.852 0.536 -7.712 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.547 0.250 -6.458 1.00 0.39 N ATOM 0 H HIS B 42 -12.124 4.584 -4.478 1.00 0.27 H new ATOM 0 HA HIS B 42 -10.020 2.933 -5.370 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.313 4.423 -6.567 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -11.004 4.008 -7.655 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.665 1.455 -4.854 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.289 -0.145 -8.427 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.687 -0.652 -6.002 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.739 6.124 -6.123 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.781 7.134 -6.519 1.00 0.37 C ATOM 1825 C ALA B 43 -7.619 7.194 -5.539 1.00 0.38 C ATOM 1826 O ALA B 43 -6.461 7.153 -5.941 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.457 8.494 -6.616 1.00 0.42 C ATOM 0 H ALA B 43 -10.686 6.473 -5.979 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.388 6.864 -7.499 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.725 9.244 -6.915 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.255 8.451 -7.357 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.876 8.762 -5.646 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.933 7.261 -4.252 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.907 7.430 -3.239 1.00 0.40 C ATOM 1835 C CYS B 44 -6.081 6.158 -2.999 1.00 0.35 C ATOM 1836 O CYS B 44 -4.897 6.246 -2.705 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.492 7.931 -1.932 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.537 9.397 -2.111 1.00 1.64 S ATOM 0 H CYS B 44 -8.884 7.201 -3.889 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.226 8.185 -3.632 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -8.078 7.132 -1.478 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.678 8.159 -1.244 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.738 9.035 -2.453 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.687 4.980 -3.104 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.931 3.736 -2.920 1.00 0.29 C ATOM 1846 C LEU B 45 -5.099 3.433 -4.151 1.00 0.28 C ATOM 1847 O LEU B 45 -3.965 2.969 -4.053 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.849 2.551 -2.614 1.00 0.27 C ATOM 1849 CG LEU B 45 -7.019 2.213 -1.131 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.739 1.613 -0.583 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -7.400 3.450 -0.334 1.00 1.77 C ATOM 0 H LEU B 45 -7.678 4.855 -3.311 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.273 3.883 -2.064 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.832 2.758 -3.036 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.460 1.671 -3.127 1.00 0.27 H new ATOM 0 HG LEU B 45 -7.823 1.484 -1.036 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -5.871 1.376 0.473 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -5.500 0.702 -1.132 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -4.925 2.329 -0.695 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -7.515 3.185 0.717 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -6.618 4.203 -0.435 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -8.340 3.851 -0.712 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.669 3.708 -5.308 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.966 3.531 -6.562 1.00 0.33 C ATOM 1865 C ASN B 46 -3.802 4.520 -6.645 1.00 0.36 C ATOM 1866 O ASN B 46 -2.725 4.176 -7.136 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.975 3.636 -7.730 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.387 3.974 -9.100 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.457 4.765 -9.244 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.946 3.370 -10.135 1.00 0.98 N ATOM 0 H ASN B 46 -6.623 4.057 -5.405 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.519 2.539 -6.629 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.507 2.688 -7.810 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.714 4.396 -7.477 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.607 3.556 -11.079 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.717 2.718 -9.990 1.00 0.98 H new ATOM 1877 N LYS B 47 -3.977 5.721 -6.093 1.00 0.35 N ATOM 1878 CA LYS B 47 -2.894 6.692 -6.077 1.00 0.37 C ATOM 1879 C LYS B 47 -1.913 6.327 -4.975 1.00 0.36 C ATOM 1880 O LYS B 47 -0.719 6.549 -5.108 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.414 8.123 -5.872 1.00 0.44 C ATOM 1882 CG LYS B 47 -3.979 8.392 -4.497 1.00 0.92 C ATOM 1883 CD LYS B 47 -4.764 9.695 -4.455 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.864 10.910 -4.621 1.00 1.08 C ATOM 1885 NZ LYS B 47 -3.051 11.181 -3.405 1.00 1.51 N ATOM 0 H LYS B 47 -4.844 6.037 -5.659 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.394 6.665 -7.045 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -2.600 8.823 -6.060 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.186 8.326 -6.614 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -4.628 7.567 -4.203 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -3.166 8.433 -3.772 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -5.516 9.691 -5.244 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -5.297 9.766 -3.507 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -3.200 10.754 -5.472 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -4.475 11.783 -4.849 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -2.505 12.056 -3.540 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -3.680 11.289 -2.584 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -2.399 10.388 -3.240 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.429 5.749 -3.891 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.593 5.285 -2.794 1.00 0.41 C ATOM 1901 C ALA B 48 -0.632 4.221 -3.285 1.00 0.38 C ATOM 1902 O ALA B 48 0.547 4.228 -2.932 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.440 4.743 -1.655 1.00 0.49 C ATOM 0 H ALA B 48 -3.427 5.592 -3.753 1.00 0.40 H new ATOM 0 HA ALA B 48 -1.022 6.134 -2.418 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.790 4.403 -0.848 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -3.098 5.529 -1.284 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -3.041 3.907 -2.014 1.00 0.49 H new ATOM 1909 N LYS B 49 -1.129 3.334 -4.139 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.295 2.302 -4.727 1.00 0.40 C ATOM 1911 C LYS B 49 0.817 2.944 -5.525 1.00 0.44 C ATOM 1912 O LYS B 49 1.975 2.578 -5.407 1.00 0.53 O ATOM 1913 CB LYS B 49 -1.094 1.410 -5.676 1.00 0.38 C ATOM 1914 CG LYS B 49 -2.112 0.510 -5.007 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.607 -0.533 -5.983 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.490 0.086 -7.055 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.662 -0.809 -8.227 1.00 0.93 N ATOM 0 H LYS B 49 -2.104 3.312 -4.437 1.00 0.39 H new ATOM 0 HA LYS B 49 0.102 1.697 -3.912 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.610 2.044 -6.397 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.397 0.789 -6.239 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.665 0.024 -4.140 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.950 1.104 -4.642 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.756 -1.028 -6.451 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.166 -1.299 -5.446 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.467 0.317 -6.630 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -3.054 1.030 -7.382 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.271 -0.346 -8.931 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.733 -1.009 -8.650 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.103 -1.700 -7.922 1.00 0.93 H new ATOM 1931 N LEU B 50 0.436 3.918 -6.333 1.00 0.40 N ATOM 1932 CA LEU B 50 1.349 4.550 -7.263 1.00 0.45 C ATOM 1933 C LEU B 50 2.313 5.528 -6.603 1.00 0.39 C ATOM 1934 O LEU B 50 3.406 5.748 -7.112 1.00 0.41 O ATOM 1935 CB LEU B 50 0.571 5.199 -8.392 1.00 0.54 C ATOM 1936 CG LEU B 50 0.411 4.292 -9.602 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -0.523 3.134 -9.297 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.076 5.071 -10.793 1.00 0.71 C ATOM 0 H LEU B 50 -0.513 4.291 -6.361 1.00 0.40 H new ATOM 0 HA LEU B 50 1.983 3.764 -7.674 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.415 5.487 -8.028 1.00 0.54 H new ATOM 0 HB3 LEU B 50 1.078 6.115 -8.696 1.00 0.54 H new ATOM 0 HG LEU B 50 1.390 3.879 -9.843 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -0.619 2.502 -10.180 1.00 2.10 H new ATOM 0 HD12 LEU B 50 -0.118 2.547 -8.473 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -1.504 3.521 -9.019 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.183 4.402 -11.647 1.00 0.71 H new ATOM 0 HD22 LEU B 50 -1.041 5.522 -10.563 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.643 5.854 -11.034 1.00 0.71 H new ATOM 1950 N THR B 51 1.918 6.141 -5.500 1.00 0.36 N ATOM 1951 CA THR B 51 2.854 6.954 -4.735 1.00 0.36 C ATOM 1952 C THR B 51 3.935 6.063 -4.154 1.00 0.33 C ATOM 1953 O THR B 51 5.079 6.470 -3.993 1.00 0.35 O ATOM 1954 CB THR B 51 2.162 7.745 -3.615 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.465 6.869 -2.717 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.191 8.735 -4.213 1.00 0.42 C ATOM 0 H THR B 51 0.974 6.095 -5.118 1.00 0.36 H new ATOM 0 HA THR B 51 3.294 7.684 -5.415 1.00 0.36 H new ATOM 0 HB THR B 51 2.928 8.276 -3.050 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.383 5.981 -3.124 1.00 0.46 H new ATOM 0 HG21 THR B 51 0.703 9.294 -3.414 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.729 9.426 -4.862 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.439 8.201 -4.795 1.00 0.42 H new ATOM 1964 N VAL B 52 3.546 4.833 -3.856 1.00 0.30 N ATOM 1965 CA VAL B 52 4.485 3.798 -3.477 1.00 0.28 C ATOM 1966 C VAL B 52 5.252 3.340 -4.708 1.00 0.28 C ATOM 1967 O VAL B 52 6.454 3.080 -4.651 1.00 0.29 O ATOM 1968 CB VAL B 52 3.747 2.613 -2.814 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.688 1.463 -2.528 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.065 3.063 -1.535 1.00 0.33 C ATOM 0 H VAL B 52 2.573 4.528 -3.871 1.00 0.30 H new ATOM 0 HA VAL B 52 5.190 4.198 -2.749 1.00 0.28 H new ATOM 0 HB VAL B 52 2.991 2.260 -3.515 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.135 0.648 -2.062 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.131 1.114 -3.461 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.477 1.797 -1.855 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.550 2.217 -1.080 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.812 3.449 -0.841 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.343 3.847 -1.764 1.00 0.33 H new ATOM 1980 N GLY B 53 4.534 3.282 -5.825 1.00 0.35 N ATOM 1981 CA GLY B 53 5.135 2.985 -7.104 1.00 0.43 C ATOM 1982 C GLY B 53 6.275 3.927 -7.392 1.00 0.39 C ATOM 1983 O GLY B 53 7.381 3.507 -7.728 1.00 0.39 O ATOM 0 H GLY B 53 3.527 3.440 -5.861 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.497 1.957 -7.111 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.385 3.064 -7.891 1.00 0.43 H new ATOM 1987 N ARG B 54 6.000 5.206 -7.204 1.00 0.39 N ATOM 1988 CA ARG B 54 6.977 6.247 -7.427 1.00 0.38 C ATOM 1989 C ARG B 54 7.953 6.401 -6.276 1.00 0.30 C ATOM 1990 O ARG B 54 9.007 7.007 -6.441 1.00 0.29 O ATOM 1991 CB ARG B 54 6.285 7.562 -7.760 1.00 0.50 C ATOM 1992 CG ARG B 54 6.281 7.840 -9.251 1.00 1.18 C ATOM 1993 CD ARG B 54 5.143 8.761 -9.658 1.00 1.37 C ATOM 1994 NE ARG B 54 5.076 8.926 -11.108 1.00 1.71 N ATOM 1995 CZ ARG B 54 4.093 9.561 -11.745 1.00 2.21 C ATOM 1996 NH1 ARG B 54 3.070 10.066 -11.070 1.00 2.36 N ATOM 1997 NH2 ARG B 54 4.119 9.675 -13.066 1.00 2.84 N ATOM 0 H ARG B 54 5.091 5.548 -6.892 1.00 0.39 H new ATOM 0 HA ARG B 54 7.578 5.945 -8.284 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.259 7.535 -7.394 1.00 0.50 H new ATOM 0 HB3 ARG B 54 6.787 8.378 -7.240 1.00 0.50 H new ATOM 0 HG2 ARG B 54 7.231 8.290 -9.538 1.00 1.18 H new ATOM 0 HG3 ARG B 54 6.197 6.899 -9.795 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.199 8.356 -9.293 1.00 1.37 H new ATOM 0 HD3 ARG B 54 5.276 9.735 -9.186 1.00 1.37 H new ATOM 0 HE ARG B 54 5.830 8.530 -11.669 1.00 1.71 H new ATOM 0 HH11 ARG B 54 3.031 9.970 -10.055 1.00 2.36 H new ATOM 0 HH12 ARG B 54 2.322 10.551 -11.565 1.00 2.36 H new ATOM 0 HH21 ARG B 54 4.893 9.276 -13.597 1.00 2.84 H new ATOM 0 HH22 ARG B 54 3.365 10.162 -13.551 1.00 2.84 H new ATOM 2011 N MET B 55 7.619 5.870 -5.112 1.00 0.30 N ATOM 2012 CA MET B 55 8.563 5.890 -4.009 1.00 0.29 C ATOM 2013 C MET B 55 9.679 4.898 -4.296 1.00 0.25 C ATOM 2014 O MET B 55 10.852 5.176 -4.059 1.00 0.26 O ATOM 2015 CB MET B 55 7.893 5.569 -2.673 1.00 0.31 C ATOM 2016 CG MET B 55 8.799 5.853 -1.490 1.00 0.33 C ATOM 2017 SD MET B 55 9.339 7.573 -1.455 1.00 0.76 S ATOM 2018 CE MET B 55 10.624 7.500 -0.214 1.00 0.39 C ATOM 0 H MET B 55 6.722 5.429 -4.909 1.00 0.30 H new ATOM 0 HA MET B 55 8.971 6.897 -3.923 1.00 0.29 H new ATOM 0 HB2 MET B 55 6.980 6.156 -2.577 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.600 4.519 -2.659 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.272 5.619 -0.565 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.670 5.200 -1.535 1.00 0.33 H new ATOM 0 HE1 MET B 55 10.883 8.511 0.101 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.268 6.932 0.645 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.505 7.013 -0.631 1.00 0.39 H new ATOM 2028 N VAL B 56 9.301 3.749 -4.842 1.00 0.25 N ATOM 2029 CA VAL B 56 10.270 2.777 -5.320 1.00 0.25 C ATOM 2030 C VAL B 56 11.088 3.389 -6.451 1.00 0.23 C ATOM 2031 O VAL B 56 12.306 3.210 -6.525 1.00 0.23 O ATOM 2032 CB VAL B 56 9.573 1.492 -5.810 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.585 0.510 -6.384 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.787 0.856 -4.672 1.00 0.34 C ATOM 0 H VAL B 56 8.328 3.469 -4.964 1.00 0.25 H new ATOM 0 HA VAL B 56 10.928 2.509 -4.493 1.00 0.25 H new ATOM 0 HB VAL B 56 8.878 1.757 -6.607 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.069 -0.388 -6.723 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.102 0.971 -7.226 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.310 0.243 -5.615 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.299 -0.051 -5.029 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.466 0.606 -3.857 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.033 1.557 -4.314 1.00 0.34 H new ATOM 2044 N THR B 57 10.409 4.148 -7.307 1.00 0.24 N ATOM 2045 CA THR B 57 11.064 4.871 -8.382 1.00 0.27 C ATOM 2046 C THR B 57 12.070 5.876 -7.819 1.00 0.26 C ATOM 2047 O THR B 57 13.145 6.063 -8.377 1.00 0.30 O ATOM 2048 CB THR B 57 10.036 5.611 -9.262 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.087 4.677 -9.797 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.721 6.348 -10.404 1.00 0.43 C ATOM 0 H THR B 57 9.398 4.276 -7.272 1.00 0.24 H new ATOM 0 HA THR B 57 11.590 4.141 -8.997 1.00 0.27 H new ATOM 0 HB THR B 57 9.522 6.341 -8.638 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.585 4.264 -9.063 1.00 0.37 H new ATOM 0 HG21 THR B 57 9.972 6.860 -11.008 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.421 7.078 -9.998 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.261 5.634 -11.026 1.00 0.43 H new ATOM 2058 N SER B 58 11.724 6.492 -6.692 1.00 0.31 N ATOM 2059 CA SER B 58 12.580 7.493 -6.072 1.00 0.37 C ATOM 2060 C SER B 58 13.931 6.893 -5.680 1.00 0.30 C ATOM 2061 O SER B 58 14.977 7.430 -6.034 1.00 0.38 O ATOM 2062 CB SER B 58 11.889 8.086 -4.838 1.00 0.49 C ATOM 2063 OG SER B 58 12.647 9.145 -4.281 1.00 1.23 O ATOM 0 H SER B 58 10.854 6.313 -6.190 1.00 0.31 H new ATOM 0 HA SER B 58 12.758 8.286 -6.798 1.00 0.37 H new ATOM 0 HB2 SER B 58 10.899 8.450 -5.113 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.745 7.307 -4.090 1.00 0.49 H new ATOM 0 HG SER B 58 12.181 9.504 -3.497 1.00 1.23 H new ATOM 2069 N LEU B 59 13.907 5.760 -4.986 1.00 0.24 N ATOM 2070 CA LEU B 59 15.143 5.100 -4.570 1.00 0.25 C ATOM 2071 C LEU B 59 15.881 4.533 -5.777 1.00 0.21 C ATOM 2072 O LEU B 59 17.108 4.446 -5.785 1.00 0.27 O ATOM 2073 CB LEU B 59 14.878 3.995 -3.533 1.00 0.37 C ATOM 2074 CG LEU B 59 14.545 4.481 -2.111 1.00 0.37 C ATOM 2075 CD1 LEU B 59 15.495 5.587 -1.689 1.00 1.38 C ATOM 2076 CD2 LEU B 59 13.106 4.953 -2.008 1.00 1.37 C ATOM 0 H LEU B 59 13.053 5.281 -4.701 1.00 0.24 H new ATOM 0 HA LEU B 59 15.772 5.853 -4.096 1.00 0.25 H new ATOM 0 HB2 LEU B 59 14.053 3.378 -3.889 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.757 3.352 -3.481 1.00 0.37 H new ATOM 0 HG LEU B 59 14.669 3.635 -1.435 1.00 0.37 H new ATOM 0 HD11 LEU B 59 15.244 5.918 -0.681 1.00 1.38 H new ATOM 0 HD12 LEU B 59 16.519 5.213 -1.704 1.00 1.38 H new ATOM 0 HD13 LEU B 59 15.406 6.426 -2.379 1.00 1.38 H new ATOM 0 HD21 LEU B 59 12.905 5.289 -0.991 1.00 1.37 H new ATOM 0 HD22 LEU B 59 12.943 5.778 -2.702 1.00 1.37 H new ATOM 0 HD23 LEU B 59 12.435 4.131 -2.258 1.00 1.37 H new ATOM 2088 N LEU B 60 15.124 4.161 -6.802 1.00 0.19 N ATOM 2089 CA LEU B 60 15.700 3.640 -8.035 1.00 0.24 C ATOM 2090 C LEU B 60 16.380 4.749 -8.836 1.00 0.27 C ATOM 2091 O LEU B 60 17.037 4.488 -9.844 1.00 0.32 O ATOM 2092 CB LEU B 60 14.619 2.968 -8.884 1.00 0.26 C ATOM 2093 CG LEU B 60 14.824 1.472 -9.143 1.00 0.46 C ATOM 2094 CD1 LEU B 60 16.058 1.237 -10.002 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.933 0.708 -7.830 1.00 0.57 C ATOM 0 H LEU B 60 14.105 4.211 -6.803 1.00 0.19 H new ATOM 0 HA LEU B 60 16.454 2.900 -7.767 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.656 3.106 -8.392 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.563 3.482 -9.844 1.00 0.26 H new ATOM 0 HG LEU B 60 13.955 1.100 -9.685 1.00 0.46 H new ATOM 0 HD11 LEU B 60 16.184 0.168 -10.173 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.938 1.746 -10.958 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.937 1.629 -9.491 1.00 1.29 H new ATOM 0 HD21 LEU B 60 15.078 -0.352 -8.037 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.781 1.086 -7.259 1.00 0.57 H new ATOM 0 HD23 LEU B 60 14.018 0.843 -7.253 1.00 0.57 H new ATOM 2107 N GLU B 61 16.244 5.983 -8.369 1.00 0.27 N ATOM 2108 CA GLU B 61 16.875 7.123 -9.019 1.00 0.33 C ATOM 2109 C GLU B 61 18.146 7.514 -8.271 1.00 0.36 C ATOM 2110 O GLU B 61 18.645 8.634 -8.410 1.00 0.43 O ATOM 2111 CB GLU B 61 15.911 8.308 -9.080 1.00 0.37 C ATOM 2112 CG GLU B 61 14.719 8.080 -9.993 1.00 1.02 C ATOM 2113 CD GLU B 61 15.066 8.175 -11.465 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.810 7.308 -11.975 1.00 2.59 O ATOM 2115 OE2 GLU B 61 14.582 9.116 -12.126 1.00 2.79 O ATOM 0 H GLU B 61 15.700 6.220 -7.539 1.00 0.27 H new ATOM 0 HA GLU B 61 17.137 6.841 -10.039 1.00 0.33 H new ATOM 0 HB2 GLU B 61 15.551 8.524 -8.074 1.00 0.37 H new ATOM 0 HB3 GLU B 61 16.454 9.190 -9.420 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.297 7.096 -9.789 1.00 1.02 H new ATOM 0 HG3 GLU B 61 13.946 8.813 -9.761 1.00 1.02 H new ATOM 2122 N LYS B 62 18.658 6.581 -7.471 1.00 0.36 N ATOM 2123 CA LYS B 62 19.920 6.763 -6.761 1.00 0.40 C ATOM 2124 C LYS B 62 20.713 5.482 -6.891 1.00 0.35 C ATOM 2125 O LYS B 62 20.443 4.505 -6.194 1.00 0.30 O ATOM 2126 CB LYS B 62 19.750 7.057 -5.265 1.00 0.48 C ATOM 2127 CG LYS B 62 18.347 7.399 -4.829 1.00 0.51 C ATOM 2128 CD LYS B 62 17.970 8.818 -5.219 1.00 0.76 C ATOM 2129 CE LYS B 62 16.688 9.278 -4.542 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.897 9.603 -3.109 1.00 0.91 N ATOM 0 H LYS B 62 18.211 5.681 -7.298 1.00 0.36 H new ATOM 0 HA LYS B 62 20.418 7.624 -7.206 1.00 0.40 H new ATOM 0 HB2 LYS B 62 20.086 6.187 -4.700 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.407 7.884 -4.997 1.00 0.48 H new ATOM 0 HG2 LYS B 62 17.644 6.698 -5.280 1.00 0.51 H new ATOM 0 HG3 LYS B 62 18.263 7.284 -3.748 1.00 0.51 H new ATOM 0 HD2 LYS B 62 18.782 9.494 -4.953 1.00 0.76 H new ATOM 0 HD3 LYS B 62 17.849 8.876 -6.301 1.00 0.76 H new ATOM 0 HE2 LYS B 62 16.301 10.156 -5.059 1.00 0.83 H new ATOM 0 HE3 LYS B 62 15.932 8.497 -4.629 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 16.014 9.976 -2.705 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.177 8.743 -2.595 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 17.647 10.318 -3.021 1.00 0.91 H new ATOM 2144 N PRO B 63 21.681 5.468 -7.795 1.00 0.46 N ATOM 2145 CA PRO B 63 22.455 4.268 -8.110 1.00 0.48 C ATOM 2146 C PRO B 63 23.105 3.632 -6.880 1.00 0.41 C ATOM 2147 O PRO B 63 23.244 2.411 -6.807 1.00 0.40 O ATOM 2148 CB PRO B 63 23.525 4.772 -9.080 1.00 0.59 C ATOM 2149 CG PRO B 63 22.963 6.024 -9.659 1.00 0.94 C ATOM 2150 CD PRO B 63 22.094 6.628 -8.595 1.00 0.65 C ATOM 0 HA PRO B 63 21.820 3.484 -8.522 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.466 4.964 -8.564 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.731 4.036 -9.857 1.00 0.59 H new ATOM 0 HG2 PRO B 63 23.759 6.711 -9.947 1.00 0.94 H new ATOM 0 HG3 PRO B 63 22.385 5.811 -10.558 1.00 0.94 H new ATOM 0 HD2 PRO B 63 22.640 7.356 -7.995 1.00 0.65 H new ATOM 0 HD3 PRO B 63 21.236 7.147 -9.023 1.00 0.65 H new ATOM 2158 N SER B 64 23.491 4.465 -5.919 1.00 0.40 N ATOM 2159 CA SER B 64 24.104 3.983 -4.687 1.00 0.37 C ATOM 2160 C SER B 64 23.078 3.215 -3.854 1.00 0.34 C ATOM 2161 O SER B 64 23.340 2.098 -3.392 1.00 0.38 O ATOM 2162 CB SER B 64 24.666 5.160 -3.885 1.00 0.39 C ATOM 2163 OG SER B 64 25.643 4.733 -2.954 1.00 1.25 O ATOM 0 H SER B 64 23.390 5.479 -5.970 1.00 0.40 H new ATOM 0 HA SER B 64 24.922 3.309 -4.940 1.00 0.37 H new ATOM 0 HB2 SER B 64 25.105 5.889 -4.566 1.00 0.39 H new ATOM 0 HB3 SER B 64 23.855 5.663 -3.358 1.00 0.39 H new ATOM 0 HG SER B 64 25.984 5.507 -2.459 1.00 1.25 H new ATOM 2169 N VAL B 65 21.901 3.817 -3.683 1.00 0.30 N ATOM 2170 CA VAL B 65 20.805 3.185 -2.958 1.00 0.30 C ATOM 2171 C VAL B 65 20.405 1.881 -3.636 1.00 0.29 C ATOM 2172 O VAL B 65 20.218 0.853 -2.979 1.00 0.30 O ATOM 2173 CB VAL B 65 19.577 4.111 -2.873 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.468 3.464 -2.057 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.966 5.455 -2.281 1.00 0.33 C ATOM 0 H VAL B 65 21.684 4.747 -4.040 1.00 0.30 H new ATOM 0 HA VAL B 65 21.156 2.981 -1.946 1.00 0.30 H new ATOM 0 HB VAL B 65 19.201 4.275 -3.883 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.611 4.136 -2.011 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.169 2.527 -2.527 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.828 3.265 -1.048 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.087 6.097 -2.228 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.369 5.308 -1.279 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.721 5.925 -2.911 1.00 0.33 H new ATOM 2185 N VAL B 66 20.302 1.931 -4.963 1.00 0.29 N ATOM 2186 CA VAL B 66 19.966 0.757 -5.756 1.00 0.30 C ATOM 2187 C VAL B 66 20.967 -0.365 -5.504 1.00 0.30 C ATOM 2188 O VAL B 66 20.574 -1.498 -5.240 1.00 0.30 O ATOM 2189 CB VAL B 66 19.933 1.080 -7.267 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.654 -0.171 -8.088 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.890 2.144 -7.562 1.00 0.34 C ATOM 0 H VAL B 66 20.448 2.779 -5.511 1.00 0.29 H new ATOM 0 HA VAL B 66 18.971 0.436 -5.448 1.00 0.30 H new ATOM 0 HB VAL B 66 20.914 1.462 -7.549 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.636 0.085 -9.147 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.436 -0.908 -7.906 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.689 -0.588 -7.799 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.881 2.358 -8.631 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.907 1.785 -7.256 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.132 3.053 -7.012 1.00 0.34 H new ATOM 2201 N ALA B 67 22.254 -0.023 -5.547 1.00 0.33 N ATOM 2202 CA ALA B 67 23.327 -1.003 -5.402 1.00 0.35 C ATOM 2203 C ALA B 67 23.212 -1.787 -4.107 1.00 0.32 C ATOM 2204 O ALA B 67 23.453 -2.987 -4.086 1.00 0.34 O ATOM 2205 CB ALA B 67 24.683 -0.327 -5.461 1.00 0.42 C ATOM 0 H ALA B 67 22.580 0.934 -5.682 1.00 0.33 H new ATOM 0 HA ALA B 67 23.230 -1.701 -6.233 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.468 -1.075 -5.351 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.796 0.179 -6.420 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.761 0.402 -4.655 1.00 0.42 H new ATOM 2211 N TYR B 68 22.867 -1.110 -3.025 1.00 0.30 N ATOM 2212 CA TYR B 68 22.730 -1.771 -1.739 1.00 0.30 C ATOM 2213 C TYR B 68 21.508 -2.675 -1.682 1.00 0.30 C ATOM 2214 O TYR B 68 21.531 -3.710 -1.019 1.00 0.33 O ATOM 2215 CB TYR B 68 22.792 -0.771 -0.587 1.00 0.32 C ATOM 2216 CG TYR B 68 24.227 -0.507 -0.196 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.991 0.435 -0.872 1.00 1.31 C ATOM 2218 CD2 TYR B 68 24.837 -1.246 0.811 1.00 1.06 C ATOM 2219 CE1 TYR B 68 26.321 0.635 -0.557 1.00 1.54 C ATOM 2220 CE2 TYR B 68 26.163 -1.045 1.140 1.00 1.28 C ATOM 2221 CZ TYR B 68 26.903 -0.108 0.450 1.00 1.19 C ATOM 2222 OH TYR B 68 28.230 0.081 0.764 1.00 1.55 O ATOM 0 H TYR B 68 22.677 -0.108 -3.011 1.00 0.30 H new ATOM 0 HA TYR B 68 23.588 -2.433 -1.619 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.311 0.162 -0.881 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.240 -1.158 0.270 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.538 1.021 -1.658 1.00 1.31 H new ATOM 0 HD2 TYR B 68 24.264 -1.990 1.345 1.00 1.06 H new ATOM 0 HE1 TYR B 68 26.902 1.369 -1.096 1.00 1.54 H new ATOM 0 HE2 TYR B 68 26.618 -1.619 1.934 1.00 1.28 H new ATOM 0 HH TYR B 68 28.482 -0.520 1.496 1.00 1.55 H new ATOM 2232 N LEU B 69 20.444 -2.289 -2.367 1.00 0.28 N ATOM 2233 CA LEU B 69 19.265 -3.140 -2.479 1.00 0.29 C ATOM 2234 C LEU B 69 19.609 -4.451 -3.185 1.00 0.31 C ATOM 2235 O LEU B 69 19.248 -5.530 -2.721 1.00 0.34 O ATOM 2236 CB LEU B 69 18.161 -2.398 -3.224 1.00 0.28 C ATOM 2237 CG LEU B 69 17.691 -1.131 -2.528 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.847 -0.278 -3.461 1.00 0.30 C ATOM 2239 CD2 LEU B 69 16.913 -1.472 -1.266 1.00 0.33 C ATOM 0 H LEU B 69 20.370 -1.395 -2.853 1.00 0.28 H new ATOM 0 HA LEU B 69 18.910 -3.383 -1.477 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.518 -2.142 -4.221 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.310 -3.067 -3.353 1.00 0.28 H new ATOM 0 HG LEU B 69 18.572 -0.554 -2.247 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.524 0.622 -2.938 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.438 0.001 -4.333 1.00 0.30 H new ATOM 0 HD13 LEU B 69 15.973 -0.845 -3.782 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.585 -0.553 -0.781 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.043 -2.075 -1.527 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.553 -2.033 -0.585 1.00 0.33 H new ATOM 2251 N GLU B 70 20.314 -4.365 -4.304 1.00 0.32 N ATOM 2252 CA GLU B 70 20.782 -5.571 -4.985 1.00 0.39 C ATOM 2253 C GLU B 70 21.906 -6.200 -4.196 1.00 0.44 C ATOM 2254 O GLU B 70 22.179 -7.395 -4.300 1.00 0.53 O ATOM 2255 CB GLU B 70 21.257 -5.263 -6.404 1.00 0.44 C ATOM 2256 CG GLU B 70 21.614 -3.808 -6.620 1.00 0.45 C ATOM 2257 CD GLU B 70 21.963 -3.467 -8.058 1.00 0.56 C ATOM 2258 OE1 GLU B 70 21.189 -3.837 -8.962 1.00 1.15 O ATOM 2259 OE2 GLU B 70 23.007 -2.814 -8.296 1.00 1.32 O ATOM 0 H GLU B 70 20.573 -3.489 -4.757 1.00 0.32 H new ATOM 0 HA GLU B 70 19.945 -6.266 -5.053 1.00 0.39 H new ATOM 0 HB2 GLU B 70 22.127 -5.879 -6.629 1.00 0.44 H new ATOM 0 HB3 GLU B 70 20.475 -5.545 -7.109 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.776 -3.187 -6.303 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.459 -3.553 -5.981 1.00 0.45 H new ATOM 2266 N GLY B 71 22.532 -5.368 -3.387 1.00 0.44 N ATOM 2267 CA GLY B 71 23.668 -5.783 -2.619 1.00 0.53 C ATOM 2268 C GLY B 71 24.842 -6.065 -3.505 1.00 0.65 C ATOM 2269 O GLY B 71 25.717 -6.868 -3.178 1.00 0.79 O ATOM 0 H GLY B 71 22.263 -4.394 -3.250 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.929 -5.006 -1.900 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.418 -6.676 -2.046 1.00 0.53 H new ATOM 2273 N LYS B 72 24.855 -5.380 -4.622 1.00 0.69 N ATOM 2274 CA LYS B 72 25.756 -5.674 -5.695 1.00 0.93 C ATOM 2275 C LYS B 72 26.505 -4.400 -6.077 1.00 1.13 C ATOM 2276 O LYS B 72 27.743 -4.388 -5.921 1.00 1.49 O ATOM 2277 CB LYS B 72 24.939 -6.341 -6.830 1.00 1.21 C ATOM 2278 CG LYS B 72 24.699 -5.514 -8.064 1.00 1.13 C ATOM 2279 CD LYS B 72 25.963 -5.356 -8.861 1.00 1.47 C ATOM 2280 CE LYS B 72 25.815 -4.215 -9.842 1.00 1.99 C ATOM 2281 NZ LYS B 72 25.560 -2.919 -9.160 1.00 2.58 N ATOM 2282 OXT LYS B 72 25.860 -3.400 -6.453 1.00 1.80 O ATOM 0 H LYS B 72 24.231 -4.595 -4.808 1.00 0.69 H new ATOM 0 HA LYS B 72 26.535 -6.386 -5.422 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.453 -7.255 -7.127 1.00 1.21 H new ATOM 0 HB3 LYS B 72 23.971 -6.637 -6.425 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.934 -5.987 -8.680 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.319 -4.533 -7.780 1.00 1.13 H new ATOM 0 HD2 LYS B 72 26.803 -5.166 -8.193 1.00 1.47 H new ATOM 0 HD3 LYS B 72 26.184 -6.280 -9.395 1.00 1.47 H new ATOM 0 HE2 LYS B 72 26.720 -4.135 -10.444 1.00 1.99 H new ATOM 0 HE3 LYS B 72 24.995 -4.431 -10.527 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 26.025 -2.152 -9.686 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 24.536 -2.742 -9.123 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 25.940 -2.955 -8.193 1.00 2.58 H new