USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1060 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: A 82 HIS : no HD1:sc= -0.0174 X(o=-0.018,f=-0.00072) USER MOD Set 1.2: A 132 THR OG1 : rot 49:sc=-0.000583 USER MOD Set 2.1: A 74 SER OG : rot -98:sc= 0.916 USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= -0.196 USER MOD Set 3.1: A 57 ASN : amide:sc= -6.78! C(o=-19!,f=-25!) USER MOD Set 3.2: A 72 HIS : no HE2:sc= -12! C(o=-19!,f=-16!) USER MOD Set 4.1: A 46 THR OG1 : rot 160:sc= -1.23 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= -1.2! USER MOD Set 4.3: A 50 ASN : amide:sc= -1.72! K(o=-4.2!,f=0.21) USER MOD Set 5.1: A 31 ASN : amide:sc= -1.89! C(o=-0.28!,f=-1.6!) USER MOD Set 5.2: A 98 TYR OH : rot 158:sc= 1.61 USER MOD Set 6.1: A 15 HIS : no HD1:sc= -0.112 K(o=-8.3,f=-9.2) USER MOD Set 6.2: A 27 MET CE :methyl 161:sc= -0.517 (180deg=-1.04) USER MOD Set 6.3: A 41 ASN : amide:sc= -7.65! C(o=-8.3!,f=-11!) USER MOD Single : A 4 GLN : amide:sc=-0.00363 K(o=-0.0036,f=1.2) USER MOD Single : A 6 THR OG1 : rot -88:sc= -0.0128 USER MOD Single : A 9 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3.8!) USER MOD Single : A 14 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.44) USER MOD Single : A 17 SER OG : rot 8:sc= -0.132 USER MOD Single : A 19 ASN : amide:sc= -2.5 K(o=-2.5,f=-0.84) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 70:sc= -1.08 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.25) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.46) USER MOD Single : A 58 GLN : amide:sc= -0.723 K(o=-0.72,f=-2) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 64 HIS : no HD1:sc= -5.98! K(o=-6!,f=-4.3) USER MOD Single : A 65 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.637 K(o=-0.64,f=-4.1!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 87 ASN : amide:sc= -6.39! C(o=-6.4!,f=-7!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -2.4 K(o=-2.4,f=-5.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 113 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 119 SER OG : rot -114:sc= 0.315 USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00897 USER MOD Single : A 128 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-3.2!) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0241 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.114 -11.290 -2.932 1.00 44.02 N ATOM 26 CA PRO A 2 7.610 -12.451 -3.677 1.00 41.04 C ATOM 27 C PRO A 2 8.728 -12.083 -4.648 1.00 72.43 C ATOM 28 O PRO A 2 9.006 -10.910 -4.896 1.00 15.55 O ATOM 29 CB PRO A 2 6.376 -12.936 -4.441 1.00 52.33 C ATOM 30 CG PRO A 2 5.516 -11.726 -4.579 1.00 22.12 C ATOM 31 CD PRO A 2 5.752 -10.908 -3.339 1.00 75.21 C ATOM 0 HA PRO A 2 8.043 -13.203 -3.018 1.00 41.04 H new ATOM 0 HB2 PRO A 2 6.648 -13.342 -5.415 1.00 52.33 H new ATOM 0 HB3 PRO A 2 5.860 -13.728 -3.898 1.00 52.33 H new ATOM 0 HG2 PRO A 2 5.777 -11.162 -5.474 1.00 22.12 H new ATOM 0 HG3 PRO A 2 4.466 -12.002 -4.671 1.00 22.12 H new ATOM 0 HD2 PRO A 2 5.678 -9.840 -3.542 1.00 75.21 H new ATOM 0 HD3 PRO A 2 5.022 -11.136 -2.562 1.00 75.21 H new ATOM 39 N PRO A 3 9.384 -13.108 -5.212 1.00 54.23 N ATOM 40 CA PRO A 3 10.480 -12.916 -6.166 1.00 64.53 C ATOM 41 C PRO A 3 9.997 -12.362 -7.502 1.00 60.32 C ATOM 42 O PRO A 3 10.693 -11.579 -8.147 1.00 34.53 O ATOM 43 CB PRO A 3 11.045 -14.329 -6.345 1.00 53.54 C ATOM 44 CG PRO A 3 9.907 -15.235 -6.024 1.00 0.41 C ATOM 45 CD PRO A 3 9.105 -14.532 -4.963 1.00 41.13 C ATOM 0 HA PRO A 3 11.211 -12.191 -5.807 1.00 64.53 H new ATOM 0 HB2 PRO A 3 11.402 -14.487 -7.363 1.00 53.54 H new ATOM 0 HB3 PRO A 3 11.891 -14.505 -5.680 1.00 53.54 H new ATOM 0 HG2 PRO A 3 9.300 -15.428 -6.909 1.00 0.41 H new ATOM 0 HG3 PRO A 3 10.265 -16.200 -5.667 1.00 0.41 H new ATOM 0 HD2 PRO A 3 8.041 -14.754 -5.050 1.00 41.13 H new ATOM 0 HD3 PRO A 3 9.413 -14.833 -3.961 1.00 41.13 H new ATOM 53 N GLN A 4 8.800 -12.775 -7.911 1.00 4.43 N ATOM 54 CA GLN A 4 8.225 -12.320 -9.170 1.00 50.42 C ATOM 55 C GLN A 4 8.036 -10.806 -9.167 1.00 3.21 C ATOM 56 O GLN A 4 8.324 -10.132 -10.156 1.00 41.14 O ATOM 57 CB GLN A 4 6.885 -13.012 -9.423 1.00 13.43 C ATOM 58 CG GLN A 4 5.918 -12.908 -8.255 1.00 35.54 C ATOM 59 CD GLN A 4 4.982 -14.099 -8.165 1.00 11.22 C ATOM 60 OE1 GLN A 4 3.852 -14.052 -8.652 1.00 22.23 O ATOM 61 NE2 GLN A 4 5.449 -15.173 -7.541 1.00 42.11 N ATOM 0 H GLN A 4 8.211 -13.423 -7.388 1.00 4.43 H new ATOM 0 HA GLN A 4 8.917 -12.580 -9.971 1.00 50.42 H new ATOM 0 HB2 GLN A 4 6.421 -12.576 -10.308 1.00 13.43 H new ATOM 0 HB3 GLN A 4 7.065 -14.064 -9.643 1.00 13.43 H new ATOM 0 HG2 GLN A 4 6.483 -12.824 -7.327 1.00 35.54 H new ATOM 0 HG3 GLN A 4 5.330 -11.995 -8.355 1.00 35.54 H new ATOM 0 HE21 GLN A 4 6.392 -15.167 -7.153 1.00 42.11 H new ATOM 0 HE22 GLN A 4 4.865 -16.004 -7.450 1.00 42.11 H new ATOM 70 N PHE A 5 7.552 -10.277 -8.048 1.00 23.10 N ATOM 71 CA PHE A 5 7.323 -8.843 -7.917 1.00 2.13 C ATOM 72 C PHE A 5 8.321 -8.221 -6.944 1.00 11.22 C ATOM 73 O PHE A 5 8.579 -8.762 -5.869 1.00 64.42 O ATOM 74 CB PHE A 5 5.895 -8.574 -7.441 1.00 22.54 C ATOM 75 CG PHE A 5 4.870 -9.464 -8.086 1.00 41.22 C ATOM 76 CD1 PHE A 5 4.758 -9.525 -9.465 1.00 65.43 C ATOM 77 CD2 PHE A 5 4.020 -10.237 -7.313 1.00 32.22 C ATOM 78 CE1 PHE A 5 3.817 -10.342 -10.062 1.00 1.12 C ATOM 79 CE2 PHE A 5 3.076 -11.056 -7.904 1.00 73.21 C ATOM 80 CZ PHE A 5 2.976 -11.109 -9.281 1.00 32.12 C ATOM 0 H PHE A 5 7.311 -10.820 -7.219 1.00 23.10 H new ATOM 0 HA PHE A 5 7.463 -8.387 -8.897 1.00 2.13 H new ATOM 0 HB2 PHE A 5 5.850 -8.706 -6.360 1.00 22.54 H new ATOM 0 HB3 PHE A 5 5.642 -7.534 -7.646 1.00 22.54 H new ATOM 0 HD1 PHE A 5 5.414 -8.927 -10.081 1.00 65.43 H new ATOM 0 HD2 PHE A 5 4.095 -10.200 -6.236 1.00 32.22 H new ATOM 0 HE1 PHE A 5 3.740 -10.380 -11.139 1.00 1.12 H new ATOM 0 HE2 PHE A 5 2.418 -11.653 -7.290 1.00 73.21 H new ATOM 0 HZ PHE A 5 2.241 -11.750 -9.746 1.00 32.12 H new ATOM 90 N THR A 6 8.880 -7.077 -7.330 1.00 25.41 N ATOM 91 CA THR A 6 9.851 -6.381 -6.495 1.00 1.23 C ATOM 92 C THR A 6 9.208 -5.880 -5.207 1.00 41.22 C ATOM 93 O THR A 6 8.043 -6.169 -4.930 1.00 4.03 O ATOM 94 CB THR A 6 10.479 -5.188 -7.239 1.00 61.22 C ATOM 95 OG1 THR A 6 9.541 -4.647 -8.176 1.00 2.40 O ATOM 96 CG2 THR A 6 11.746 -5.612 -7.969 1.00 72.42 C ATOM 0 H THR A 6 8.676 -6.614 -8.216 1.00 25.41 H new ATOM 0 HA THR A 6 10.633 -7.101 -6.252 1.00 1.23 H new ATOM 0 HB THR A 6 10.739 -4.426 -6.505 1.00 61.22 H new ATOM 0 HG1 THR A 6 9.628 -5.114 -9.033 1.00 2.40 H new ATOM 0 HG21 THR A 6 12.172 -4.753 -8.487 1.00 72.42 H new ATOM 0 HG22 THR A 6 12.469 -5.997 -7.250 1.00 72.42 H new ATOM 0 HG23 THR A 6 11.505 -6.390 -8.693 1.00 72.42 H new ATOM 104 N ARG A 7 9.973 -5.128 -4.423 1.00 52.32 N ATOM 105 CA ARG A 7 9.477 -4.585 -3.163 1.00 64.50 C ATOM 106 C ARG A 7 8.578 -3.378 -3.407 1.00 0.23 C ATOM 107 O ARG A 7 7.795 -2.990 -2.541 1.00 15.20 O ATOM 108 CB ARG A 7 10.646 -4.192 -2.258 1.00 51.43 C ATOM 109 CG ARG A 7 11.106 -5.308 -1.336 1.00 61.12 C ATOM 110 CD ARG A 7 10.333 -5.304 -0.027 1.00 34.42 C ATOM 111 NE ARG A 7 11.131 -5.821 1.082 1.00 74.51 N ATOM 112 CZ ARG A 7 11.533 -7.083 1.170 1.00 5.35 C ATOM 113 NH1 ARG A 7 11.216 -7.953 0.222 1.00 43.42 N ATOM 114 NH2 ARG A 7 12.256 -7.478 2.212 1.00 63.13 N ATOM 0 H ARG A 7 10.939 -4.880 -4.638 1.00 52.32 H new ATOM 0 HA ARG A 7 8.889 -5.358 -2.669 1.00 64.50 H new ATOM 0 HB2 ARG A 7 11.485 -3.877 -2.879 1.00 51.43 H new ATOM 0 HB3 ARG A 7 10.354 -3.332 -1.655 1.00 51.43 H new ATOM 0 HG2 ARG A 7 10.976 -6.269 -1.833 1.00 61.12 H new ATOM 0 HG3 ARG A 7 12.171 -5.196 -1.131 1.00 61.12 H new ATOM 0 HD2 ARG A 7 10.011 -4.288 0.201 1.00 34.42 H new ATOM 0 HD3 ARG A 7 9.431 -5.907 -0.137 1.00 34.42 H new ATOM 0 HE ARG A 7 11.393 -5.178 1.829 1.00 74.51 H new ATOM 0 HH11 ARG A 7 10.661 -7.654 -0.580 1.00 43.42 H new ATOM 0 HH12 ARG A 7 11.527 -8.922 0.294 1.00 43.42 H new ATOM 0 HH21 ARG A 7 12.502 -6.812 2.944 1.00 63.13 H new ATOM 0 HH22 ARG A 7 12.565 -8.448 2.280 1.00 63.13 H new ATOM 128 N ALA A 8 8.698 -2.787 -4.591 1.00 43.15 N ATOM 129 CA ALA A 8 7.896 -1.624 -4.949 1.00 14.20 C ATOM 130 C ALA A 8 6.603 -2.041 -5.641 1.00 12.12 C ATOM 131 O ALA A 8 5.520 -1.939 -5.065 1.00 74.42 O ATOM 132 CB ALA A 8 8.695 -0.686 -5.842 1.00 1.52 C ATOM 0 H ALA A 8 9.343 -3.095 -5.319 1.00 43.15 H new ATOM 0 HA ALA A 8 7.634 -1.098 -4.031 1.00 14.20 H new ATOM 0 HB1 ALA A 8 8.083 0.178 -6.102 1.00 1.52 H new ATOM 0 HB2 ALA A 8 9.588 -0.353 -5.313 1.00 1.52 H new ATOM 0 HB3 ALA A 8 8.987 -1.210 -6.752 1.00 1.52 H new ATOM 138 N GLN A 9 6.724 -2.509 -6.879 1.00 34.41 N ATOM 139 CA GLN A 9 5.562 -2.940 -7.649 1.00 22.00 C ATOM 140 C GLN A 9 4.603 -3.749 -6.781 1.00 1.50 C ATOM 141 O GLN A 9 3.395 -3.756 -7.017 1.00 2.21 O ATOM 142 CB GLN A 9 6.004 -3.773 -8.854 1.00 23.55 C ATOM 143 CG GLN A 9 6.352 -5.212 -8.504 1.00 44.31 C ATOM 144 CD GLN A 9 5.885 -6.198 -9.557 1.00 40.44 C ATOM 145 OE1 GLN A 9 6.641 -6.566 -10.457 1.00 12.22 O ATOM 146 NE2 GLN A 9 4.635 -6.631 -9.450 1.00 40.12 N ATOM 0 H GLN A 9 7.613 -2.600 -7.370 1.00 34.41 H new ATOM 0 HA GLN A 9 5.041 -2.050 -8.002 1.00 22.00 H new ATOM 0 HB2 GLN A 9 5.208 -3.771 -9.598 1.00 23.55 H new ATOM 0 HB3 GLN A 9 6.871 -3.300 -9.314 1.00 23.55 H new ATOM 0 HG2 GLN A 9 7.431 -5.301 -8.381 1.00 44.31 H new ATOM 0 HG3 GLN A 9 5.900 -5.468 -7.546 1.00 44.31 H new ATOM 0 HE21 GLN A 9 4.044 -6.299 -8.688 1.00 40.12 H new ATOM 0 HE22 GLN A 9 4.266 -7.296 -10.130 1.00 40.12 H new ATOM 155 N TRP A 10 5.150 -4.427 -5.778 1.00 74.22 N ATOM 156 CA TRP A 10 4.341 -5.238 -4.875 1.00 73.43 C ATOM 157 C TRP A 10 3.598 -4.361 -3.873 1.00 71.52 C ATOM 158 O TRP A 10 2.433 -4.608 -3.562 1.00 74.15 O ATOM 159 CB TRP A 10 5.223 -6.246 -4.136 1.00 35.34 C ATOM 160 CG TRP A 10 4.451 -7.383 -3.538 1.00 31.35 C ATOM 161 CD1 TRP A 10 4.525 -7.838 -2.252 1.00 71.33 C ATOM 162 CD2 TRP A 10 3.490 -8.211 -4.204 1.00 13.22 C ATOM 163 NE1 TRP A 10 3.668 -8.899 -2.079 1.00 14.31 N ATOM 164 CE2 TRP A 10 3.021 -9.146 -3.260 1.00 1.42 C ATOM 165 CE3 TRP A 10 2.979 -8.251 -5.503 1.00 21.21 C ATOM 166 CZ2 TRP A 10 2.067 -10.110 -3.578 1.00 44.31 C ATOM 167 CZ3 TRP A 10 2.033 -9.209 -5.818 1.00 0.21 C ATOM 168 CH2 TRP A 10 1.584 -10.127 -4.858 1.00 42.31 C ATOM 0 H TRP A 10 6.149 -4.431 -5.570 1.00 74.22 H new ATOM 0 HA TRP A 10 3.605 -5.778 -5.471 1.00 73.43 H new ATOM 0 HB2 TRP A 10 5.966 -6.644 -4.828 1.00 35.34 H new ATOM 0 HB3 TRP A 10 5.768 -5.730 -3.345 1.00 35.34 H new ATOM 0 HD1 TRP A 10 5.163 -7.425 -1.484 1.00 71.33 H new ATOM 0 HE1 TRP A 10 3.536 -9.418 -1.211 1.00 14.31 H new ATOM 0 HE3 TRP A 10 3.317 -7.546 -6.248 1.00 21.21 H new ATOM 0 HZ2 TRP A 10 1.721 -10.819 -2.840 1.00 44.31 H new ATOM 0 HZ3 TRP A 10 1.633 -9.251 -6.820 1.00 0.21 H new ATOM 0 HH2 TRP A 10 0.842 -10.862 -5.134 1.00 42.31 H new ATOM 179 N PHE A 11 4.279 -3.338 -3.370 1.00 42.43 N ATOM 180 CA PHE A 11 3.684 -2.425 -2.402 1.00 14.43 C ATOM 181 C PHE A 11 2.367 -1.859 -2.926 1.00 62.12 C ATOM 182 O PHE A 11 1.343 -1.906 -2.245 1.00 3.15 O ATOM 183 CB PHE A 11 4.651 -1.282 -2.083 1.00 70.55 C ATOM 184 CG PHE A 11 3.963 -0.002 -1.706 1.00 74.13 C ATOM 185 CD1 PHE A 11 3.447 0.835 -2.682 1.00 74.14 C ATOM 186 CD2 PHE A 11 3.833 0.365 -0.377 1.00 14.11 C ATOM 187 CE1 PHE A 11 2.814 2.016 -2.338 1.00 71.51 C ATOM 188 CE2 PHE A 11 3.200 1.543 -0.027 1.00 30.04 C ATOM 189 CZ PHE A 11 2.689 2.370 -1.009 1.00 25.55 C ATOM 0 H PHE A 11 5.244 -3.120 -3.617 1.00 42.43 H new ATOM 0 HA PHE A 11 3.482 -2.986 -1.490 1.00 14.43 H new ATOM 0 HB2 PHE A 11 5.305 -1.588 -1.266 1.00 70.55 H new ATOM 0 HB3 PHE A 11 5.286 -1.102 -2.950 1.00 70.55 H new ATOM 0 HD1 PHE A 11 3.540 0.562 -3.723 1.00 74.14 H new ATOM 0 HD2 PHE A 11 4.231 -0.277 0.395 1.00 14.11 H new ATOM 0 HE1 PHE A 11 2.418 2.661 -3.108 1.00 71.51 H new ATOM 0 HE2 PHE A 11 3.105 1.817 1.013 1.00 30.04 H new ATOM 0 HZ PHE A 11 2.193 3.290 -0.738 1.00 25.55 H new ATOM 199 N ALA A 12 2.402 -1.324 -4.142 1.00 4.10 N ATOM 200 CA ALA A 12 1.213 -0.750 -4.759 1.00 21.41 C ATOM 201 C ALA A 12 0.216 -1.838 -5.145 1.00 11.32 C ATOM 202 O ALA A 12 -0.992 -1.600 -5.188 1.00 2.14 O ATOM 203 CB ALA A 12 1.596 0.074 -5.979 1.00 30.03 C ATOM 0 H ALA A 12 3.241 -1.276 -4.719 1.00 4.10 H new ATOM 0 HA ALA A 12 0.735 -0.097 -4.029 1.00 21.41 H new ATOM 0 HB1 ALA A 12 0.698 0.496 -6.429 1.00 30.03 H new ATOM 0 HB2 ALA A 12 2.265 0.880 -5.678 1.00 30.03 H new ATOM 0 HB3 ALA A 12 2.100 -0.564 -6.705 1.00 30.03 H new ATOM 209 N ILE A 13 0.729 -3.032 -5.426 1.00 40.52 N ATOM 210 CA ILE A 13 -0.117 -4.155 -5.808 1.00 62.11 C ATOM 211 C ILE A 13 -1.192 -4.415 -4.759 1.00 31.43 C ATOM 212 O ILE A 13 -2.327 -4.756 -5.091 1.00 12.21 O ATOM 213 CB ILE A 13 0.710 -5.439 -6.010 1.00 31.53 C ATOM 214 CG1 ILE A 13 1.069 -5.613 -7.487 1.00 24.34 C ATOM 215 CG2 ILE A 13 -0.058 -6.649 -5.498 1.00 71.14 C ATOM 216 CD1 ILE A 13 0.152 -6.565 -8.223 1.00 72.21 C ATOM 0 H ILE A 13 1.726 -3.246 -5.396 1.00 40.52 H new ATOM 0 HA ILE A 13 -0.592 -3.886 -6.752 1.00 62.11 H new ATOM 0 HB ILE A 13 1.635 -5.353 -5.439 1.00 31.53 H new ATOM 0 HG12 ILE A 13 1.039 -4.640 -7.977 1.00 24.34 H new ATOM 0 HG13 ILE A 13 2.094 -5.976 -7.563 1.00 24.34 H new ATOM 0 HG21 ILE A 13 0.539 -7.549 -5.647 1.00 71.14 H new ATOM 0 HG22 ILE A 13 -0.267 -6.524 -4.435 1.00 71.14 H new ATOM 0 HG23 ILE A 13 -0.997 -6.742 -6.044 1.00 71.14 H new ATOM 0 HD11 ILE A 13 0.465 -6.640 -9.264 1.00 72.21 H new ATOM 0 HD12 ILE A 13 0.200 -7.549 -7.758 1.00 72.21 H new ATOM 0 HD13 ILE A 13 -0.871 -6.192 -8.178 1.00 72.21 H new ATOM 228 N GLN A 14 -0.827 -4.251 -3.491 1.00 23.32 N ATOM 229 CA GLN A 14 -1.761 -4.468 -2.393 1.00 31.43 C ATOM 230 C GLN A 14 -2.214 -3.140 -1.794 1.00 62.42 C ATOM 231 O GLN A 14 -3.345 -3.013 -1.326 1.00 34.32 O ATOM 232 CB GLN A 14 -1.116 -5.336 -1.311 1.00 22.41 C ATOM 233 CG GLN A 14 -0.229 -4.556 -0.354 1.00 51.03 C ATOM 234 CD GLN A 14 0.773 -5.439 0.364 1.00 51.32 C ATOM 235 OE1 GLN A 14 0.663 -5.670 1.568 1.00 4.43 O ATOM 236 NE2 GLN A 14 1.758 -5.938 -0.374 1.00 73.31 N ATOM 0 H GLN A 14 0.109 -3.969 -3.199 1.00 23.32 H new ATOM 0 HA GLN A 14 -2.635 -4.984 -2.789 1.00 31.43 H new ATOM 0 HB2 GLN A 14 -1.900 -5.835 -0.742 1.00 22.41 H new ATOM 0 HB3 GLN A 14 -0.523 -6.116 -1.788 1.00 22.41 H new ATOM 0 HG2 GLN A 14 0.304 -3.783 -0.907 1.00 51.03 H new ATOM 0 HG3 GLN A 14 -0.853 -4.048 0.382 1.00 51.03 H new ATOM 0 HE21 GLN A 14 1.810 -5.720 -1.369 1.00 73.31 H new ATOM 0 HE22 GLN A 14 2.462 -6.539 0.054 1.00 73.31 H new ATOM 245 N HIS A 15 -1.323 -2.154 -1.811 1.00 61.24 N ATOM 246 CA HIS A 15 -1.633 -0.836 -1.270 1.00 42.44 C ATOM 247 C HIS A 15 -2.221 0.070 -2.348 1.00 41.00 C ATOM 248 O HIS A 15 -2.623 1.200 -2.070 1.00 51.25 O ATOM 249 CB HIS A 15 -0.375 -0.196 -0.681 1.00 51.51 C ATOM 250 CG HIS A 15 0.114 -0.871 0.563 1.00 21.30 C ATOM 251 ND1 HIS A 15 -0.631 -0.949 1.720 1.00 32.42 N ATOM 252 CD2 HIS A 15 1.281 -1.505 0.826 1.00 43.03 C ATOM 253 CE1 HIS A 15 0.057 -1.599 2.642 1.00 32.52 C ATOM 254 NE2 HIS A 15 1.221 -1.948 2.124 1.00 21.34 N ATOM 0 H HIS A 15 -0.381 -2.243 -2.193 1.00 61.24 H new ATOM 0 HA HIS A 15 -2.374 -0.959 -0.480 1.00 42.44 H new ATOM 0 HB2 HIS A 15 0.417 -0.215 -1.430 1.00 51.51 H new ATOM 0 HB3 HIS A 15 -0.580 0.851 -0.460 1.00 51.51 H new ATOM 0 HD2 HIS A 15 2.106 -1.638 0.142 1.00 43.03 H new ATOM 0 HE1 HIS A 15 -0.276 -1.809 3.648 1.00 32.52 H new ATOM 0 HE2 HIS A 15 1.956 -2.463 2.609 1.00 21.34 H new ATOM 263 N ILE A 16 -2.267 -0.434 -3.577 1.00 50.41 N ATOM 264 CA ILE A 16 -2.806 0.330 -4.695 1.00 52.22 C ATOM 265 C ILE A 16 -3.641 -0.556 -5.615 1.00 5.32 C ATOM 266 O ILE A 16 -3.235 -1.666 -5.960 1.00 24.15 O ATOM 267 CB ILE A 16 -1.685 0.992 -5.518 1.00 54.21 C ATOM 268 CG1 ILE A 16 -1.487 2.443 -5.075 1.00 54.01 C ATOM 269 CG2 ILE A 16 -2.006 0.925 -7.003 1.00 34.21 C ATOM 270 CD1 ILE A 16 -0.059 2.926 -5.207 1.00 72.42 C ATOM 0 H ILE A 16 -1.938 -1.367 -3.823 1.00 50.41 H new ATOM 0 HA ILE A 16 -3.440 1.107 -4.269 1.00 52.22 H new ATOM 0 HB ILE A 16 -0.757 0.448 -5.343 1.00 54.21 H new ATOM 0 HG12 ILE A 16 -2.136 3.087 -5.668 1.00 54.01 H new ATOM 0 HG13 ILE A 16 -1.801 2.543 -4.036 1.00 54.01 H new ATOM 0 HG21 ILE A 16 -1.204 1.397 -7.570 1.00 34.21 H new ATOM 0 HG22 ILE A 16 -2.101 -0.117 -7.308 1.00 34.21 H new ATOM 0 HG23 ILE A 16 -2.943 1.447 -7.197 1.00 34.21 H new ATOM 0 HD11 ILE A 16 0.007 3.962 -4.875 1.00 72.42 H new ATOM 0 HD12 ILE A 16 0.593 2.306 -4.592 1.00 72.42 H new ATOM 0 HD13 ILE A 16 0.253 2.858 -6.249 1.00 72.42 H new ATOM 282 N SER A 17 -4.807 -0.057 -6.009 1.00 71.33 N ATOM 283 CA SER A 17 -5.699 -0.804 -6.888 1.00 33.03 C ATOM 284 C SER A 17 -6.849 0.076 -7.370 1.00 1.34 C ATOM 285 O SER A 17 -7.775 0.376 -6.615 1.00 53.41 O ATOM 286 CB SER A 17 -6.253 -2.033 -6.162 1.00 41.24 C ATOM 287 OG SER A 17 -7.283 -1.671 -5.259 1.00 22.21 O ATOM 0 H SER A 17 -5.157 0.861 -5.734 1.00 71.33 H new ATOM 0 HA SER A 17 -5.125 -1.130 -7.755 1.00 33.03 H new ATOM 0 HB2 SER A 17 -6.638 -2.747 -6.890 1.00 41.24 H new ATOM 0 HB3 SER A 17 -5.449 -2.532 -5.621 1.00 41.24 H new ATOM 0 HG SER A 17 -7.511 -0.726 -5.385 1.00 22.21 H new ATOM 293 N LEU A 18 -6.782 0.486 -8.631 1.00 15.10 N ATOM 294 CA LEU A 18 -7.817 1.332 -9.217 1.00 2.23 C ATOM 295 C LEU A 18 -9.204 0.885 -8.769 1.00 31.42 C ATOM 296 O LEU A 18 -9.987 1.680 -8.252 1.00 52.22 O ATOM 297 CB LEU A 18 -7.726 1.300 -10.743 1.00 53.31 C ATOM 298 CG LEU A 18 -6.332 1.073 -11.328 1.00 40.35 C ATOM 299 CD1 LEU A 18 -6.341 1.298 -12.832 1.00 33.11 C ATOM 300 CD2 LEU A 18 -5.316 1.986 -10.656 1.00 72.33 C ATOM 0 H LEU A 18 -6.022 0.247 -9.268 1.00 15.10 H new ATOM 0 HA LEU A 18 -7.656 2.353 -8.871 1.00 2.23 H new ATOM 0 HB2 LEU A 18 -8.385 0.513 -11.110 1.00 53.31 H new ATOM 0 HB3 LEU A 18 -8.111 2.244 -11.130 1.00 53.31 H new ATOM 0 HG LEU A 18 -6.043 0.039 -11.138 1.00 40.35 H new ATOM 0 HD11 LEU A 18 -5.340 1.132 -13.231 1.00 33.11 H new ATOM 0 HD12 LEU A 18 -7.038 0.603 -13.300 1.00 33.11 H new ATOM 0 HD13 LEU A 18 -6.651 2.321 -13.045 1.00 33.11 H new ATOM 0 HD21 LEU A 18 -4.329 1.811 -11.085 1.00 72.33 H new ATOM 0 HD22 LEU A 18 -5.601 3.026 -10.814 1.00 72.33 H new ATOM 0 HD23 LEU A 18 -5.289 1.776 -9.587 1.00 72.33 H new ATOM 312 N ASN A 19 -9.501 -0.395 -8.968 1.00 21.21 N ATOM 313 CA ASN A 19 -10.793 -0.950 -8.583 1.00 52.21 C ATOM 314 C ASN A 19 -10.621 -2.084 -7.577 1.00 31.02 C ATOM 315 O ASN A 19 -10.515 -3.256 -7.939 1.00 12.25 O ATOM 316 CB ASN A 19 -11.542 -1.457 -9.818 1.00 15.23 C ATOM 317 CG ASN A 19 -10.605 -1.982 -10.887 1.00 24.33 C ATOM 318 OD1 ASN A 19 -10.449 -3.193 -11.051 1.00 60.20 O ATOM 319 ND2 ASN A 19 -9.973 -1.073 -11.620 1.00 34.33 N ATOM 0 H ASN A 19 -8.864 -1.068 -9.394 1.00 21.21 H new ATOM 0 HA ASN A 19 -11.375 -0.157 -8.113 1.00 52.21 H new ATOM 0 HB2 ASN A 19 -12.231 -2.248 -9.522 1.00 15.23 H new ATOM 0 HB3 ASN A 19 -12.144 -0.648 -10.232 1.00 15.23 H new ATOM 0 HD21 ASN A 19 -9.328 -1.368 -12.353 1.00 34.33 H new ATOM 0 HD22 ASN A 19 -10.132 -0.080 -11.450 1.00 34.33 H new ATOM 326 N PRO A 20 -10.593 -1.729 -6.284 1.00 21.14 N ATOM 327 CA PRO A 20 -10.435 -2.702 -5.200 1.00 12.14 C ATOM 328 C PRO A 20 -11.666 -3.587 -5.031 1.00 44.25 C ATOM 329 O PRO A 20 -12.722 -3.145 -4.577 1.00 43.30 O ATOM 330 CB PRO A 20 -10.235 -1.825 -3.962 1.00 43.30 C ATOM 331 CG PRO A 20 -10.899 -0.534 -4.300 1.00 63.32 C ATOM 332 CD PRO A 20 -10.714 -0.351 -5.781 1.00 41.54 C ATOM 0 HA PRO A 20 -9.612 -3.391 -5.389 1.00 12.14 H new ATOM 0 HB2 PRO A 20 -10.682 -2.280 -3.078 1.00 43.30 H new ATOM 0 HB3 PRO A 20 -9.176 -1.681 -3.746 1.00 43.30 H new ATOM 0 HG2 PRO A 20 -11.957 -0.559 -4.039 1.00 63.32 H new ATOM 0 HG3 PRO A 20 -10.453 0.292 -3.746 1.00 63.32 H new ATOM 0 HD2 PRO A 20 -11.561 0.168 -6.230 1.00 41.54 H new ATOM 0 HD3 PRO A 20 -9.824 0.238 -6.005 1.00 41.54 H new ATOM 340 N PRO A 21 -11.529 -4.869 -5.403 1.00 53.33 N ATOM 341 CA PRO A 21 -12.620 -5.843 -5.302 1.00 55.42 C ATOM 342 C PRO A 21 -12.949 -6.197 -3.855 1.00 53.23 C ATOM 343 O PRO A 21 -12.565 -5.481 -2.929 1.00 70.44 O ATOM 344 CB PRO A 21 -12.073 -7.067 -6.040 1.00 50.43 C ATOM 345 CG PRO A 21 -10.592 -6.940 -5.937 1.00 64.45 C ATOM 346 CD PRO A 21 -10.301 -5.465 -5.952 1.00 65.44 C ATOM 0 HA PRO A 21 -13.550 -5.457 -5.719 1.00 55.42 H new ATOM 0 HB2 PRO A 21 -12.424 -7.993 -5.585 1.00 50.43 H new ATOM 0 HB3 PRO A 21 -12.398 -7.080 -7.080 1.00 50.43 H new ATOM 0 HG2 PRO A 21 -10.224 -7.401 -5.021 1.00 64.45 H new ATOM 0 HG3 PRO A 21 -10.098 -7.444 -6.768 1.00 64.45 H new ATOM 0 HD2 PRO A 21 -9.430 -5.221 -5.344 1.00 65.44 H new ATOM 0 HD3 PRO A 21 -10.096 -5.106 -6.961 1.00 65.44 H new ATOM 354 N ARG A 22 -13.661 -7.303 -3.669 1.00 42.12 N ATOM 355 CA ARG A 22 -14.041 -7.751 -2.335 1.00 1.51 C ATOM 356 C ARG A 22 -12.809 -8.123 -1.514 1.00 34.43 C ATOM 357 O ARG A 22 -12.122 -9.100 -1.815 1.00 12.02 O ATOM 358 CB ARG A 22 -14.988 -8.949 -2.426 1.00 33.01 C ATOM 359 CG ARG A 22 -16.364 -8.598 -2.969 1.00 43.24 C ATOM 360 CD ARG A 22 -17.287 -8.101 -1.868 1.00 34.41 C ATOM 361 NE ARG A 22 -17.736 -9.186 -0.999 1.00 3.31 N ATOM 362 CZ ARG A 22 -18.780 -9.090 -0.184 1.00 22.03 C ATOM 363 NH1 ARG A 22 -19.481 -7.967 -0.126 1.00 44.25 N ATOM 364 NH2 ARG A 22 -19.125 -10.122 0.577 1.00 33.30 N ATOM 0 H ARG A 22 -13.986 -7.905 -4.425 1.00 42.12 H new ATOM 0 HA ARG A 22 -14.554 -6.929 -1.836 1.00 1.51 H new ATOM 0 HB2 ARG A 22 -14.538 -9.709 -3.064 1.00 33.01 H new ATOM 0 HB3 ARG A 22 -15.099 -9.390 -1.435 1.00 33.01 H new ATOM 0 HG2 ARG A 22 -16.268 -7.832 -3.738 1.00 43.24 H new ATOM 0 HG3 ARG A 22 -16.803 -9.475 -3.445 1.00 43.24 H new ATOM 0 HD2 ARG A 22 -16.769 -7.350 -1.272 1.00 34.41 H new ATOM 0 HD3 ARG A 22 -18.153 -7.612 -2.314 1.00 34.41 H new ATOM 0 HE ARG A 22 -17.219 -10.065 -1.019 1.00 3.31 H new ATOM 0 HH11 ARG A 22 -19.219 -7.172 -0.709 1.00 44.25 H new ATOM 0 HH12 ARG A 22 -20.282 -7.898 0.501 1.00 44.25 H new ATOM 0 HH21 ARG A 22 -18.588 -10.988 0.536 1.00 33.30 H new ATOM 0 HH22 ARG A 22 -19.927 -10.048 1.203 1.00 33.30 H new ATOM 378 N CYS A 23 -12.536 -7.339 -0.477 1.00 74.34 N ATOM 379 CA CYS A 23 -11.388 -7.585 0.386 1.00 43.12 C ATOM 380 C CYS A 23 -11.101 -9.079 0.497 1.00 23.34 C ATOM 381 O CYS A 23 -9.947 -9.496 0.614 1.00 14.44 O ATOM 382 CB CYS A 23 -11.634 -6.996 1.777 1.00 5.02 C ATOM 383 SG CYS A 23 -11.970 -5.206 1.778 1.00 41.22 S ATOM 0 H CYS A 23 -13.095 -6.527 -0.214 1.00 74.34 H new ATOM 0 HA CYS A 23 -10.520 -7.099 -0.059 1.00 43.12 H new ATOM 0 HB2 CYS A 23 -12.477 -7.513 2.235 1.00 5.02 H new ATOM 0 HB3 CYS A 23 -10.763 -7.192 2.402 1.00 5.02 H new ATOM 388 N THR A 24 -12.159 -9.884 0.460 1.00 41.22 N ATOM 389 CA THR A 24 -12.022 -11.331 0.558 1.00 23.23 C ATOM 390 C THR A 24 -11.073 -11.867 -0.508 1.00 41.11 C ATOM 391 O THR A 24 -10.106 -12.564 -0.199 1.00 53.43 O ATOM 392 CB THR A 24 -13.384 -12.036 0.416 1.00 13.44 C ATOM 393 OG1 THR A 24 -14.125 -11.918 1.636 1.00 13.14 O ATOM 394 CG2 THR A 24 -13.201 -13.505 0.069 1.00 40.24 C ATOM 0 H THR A 24 -13.120 -9.557 0.363 1.00 41.22 H new ATOM 0 HA THR A 24 -11.613 -11.543 1.546 1.00 23.23 H new ATOM 0 HB THR A 24 -13.934 -11.555 -0.392 1.00 13.44 H new ATOM 0 HG1 THR A 24 -14.991 -12.367 1.538 1.00 13.14 H new ATOM 0 HG21 THR A 24 -14.177 -13.981 -0.026 1.00 40.24 H new ATOM 0 HG22 THR A 24 -12.662 -13.592 -0.874 1.00 40.24 H new ATOM 0 HG23 THR A 24 -12.633 -13.997 0.858 1.00 40.24 H new ATOM 402 N ILE A 25 -11.355 -11.538 -1.765 1.00 13.13 N ATOM 403 CA ILE A 25 -10.525 -11.984 -2.876 1.00 60.51 C ATOM 404 C ILE A 25 -9.421 -10.977 -3.177 1.00 63.12 C ATOM 405 O ILE A 25 -8.332 -11.347 -3.615 1.00 52.54 O ATOM 406 CB ILE A 25 -11.363 -12.208 -4.150 1.00 3.44 C ATOM 407 CG1 ILE A 25 -12.744 -12.757 -3.787 1.00 72.15 C ATOM 408 CG2 ILE A 25 -10.642 -13.156 -5.097 1.00 64.22 C ATOM 409 CD1 ILE A 25 -13.708 -12.783 -4.953 1.00 23.42 C ATOM 0 H ILE A 25 -12.153 -10.964 -2.038 1.00 13.13 H new ATOM 0 HA ILE A 25 -10.076 -12.931 -2.575 1.00 60.51 H new ATOM 0 HB ILE A 25 -11.494 -11.251 -4.655 1.00 3.44 H new ATOM 0 HG12 ILE A 25 -12.633 -13.768 -3.395 1.00 72.15 H new ATOM 0 HG13 ILE A 25 -13.169 -12.150 -2.988 1.00 72.15 H new ATOM 0 HG21 ILE A 25 -11.246 -13.305 -5.992 1.00 64.22 H new ATOM 0 HG22 ILE A 25 -9.679 -12.729 -5.376 1.00 64.22 H new ATOM 0 HG23 ILE A 25 -10.484 -14.114 -4.602 1.00 64.22 H new ATOM 0 HD11 ILE A 25 -14.667 -13.184 -4.624 1.00 23.42 H new ATOM 0 HD12 ILE A 25 -13.849 -11.771 -5.332 1.00 23.42 H new ATOM 0 HD13 ILE A 25 -13.304 -13.414 -5.745 1.00 23.42 H new ATOM 421 N ALA A 26 -9.710 -9.701 -2.939 1.00 23.45 N ATOM 422 CA ALA A 26 -8.741 -8.641 -3.181 1.00 44.11 C ATOM 423 C ALA A 26 -7.401 -8.961 -2.527 1.00 24.31 C ATOM 424 O ALA A 26 -6.362 -8.438 -2.929 1.00 51.41 O ATOM 425 CB ALA A 26 -9.274 -7.311 -2.670 1.00 11.02 C ATOM 0 H ALA A 26 -10.608 -9.378 -2.579 1.00 23.45 H new ATOM 0 HA ALA A 26 -8.583 -8.568 -4.257 1.00 44.11 H new ATOM 0 HB1 ALA A 26 -8.539 -6.528 -2.858 1.00 11.02 H new ATOM 0 HB2 ALA A 26 -10.203 -7.068 -3.187 1.00 11.02 H new ATOM 0 HB3 ALA A 26 -9.463 -7.382 -1.599 1.00 11.02 H new ATOM 431 N MET A 27 -7.432 -9.824 -1.517 1.00 74.21 N ATOM 432 CA MET A 27 -6.219 -10.215 -0.807 1.00 55.34 C ATOM 433 C MET A 27 -5.856 -11.665 -1.111 1.00 4.35 C ATOM 434 O MET A 27 -5.247 -12.347 -0.285 1.00 51.12 O ATOM 435 CB MET A 27 -6.401 -10.026 0.700 1.00 40.42 C ATOM 436 CG MET A 27 -6.896 -8.641 1.083 1.00 41.22 C ATOM 437 SD MET A 27 -6.319 -8.124 2.711 1.00 43.21 S ATOM 438 CE MET A 27 -4.555 -8.007 2.425 1.00 62.21 C ATOM 0 H MET A 27 -8.284 -10.266 -1.171 1.00 74.21 H new ATOM 0 HA MET A 27 -5.405 -9.576 -1.149 1.00 55.34 H new ATOM 0 HB2 MET A 27 -7.107 -10.770 1.069 1.00 40.42 H new ATOM 0 HB3 MET A 27 -5.450 -10.214 1.199 1.00 40.42 H new ATOM 0 HG2 MET A 27 -6.561 -7.920 0.337 1.00 41.22 H new ATOM 0 HG3 MET A 27 -7.986 -8.632 1.068 1.00 41.22 H new ATOM 0 HE1 MET A 27 -4.101 -7.391 3.201 1.00 62.21 H new ATOM 0 HE2 MET A 27 -4.116 -9.004 2.449 1.00 62.21 H new ATOM 0 HE3 MET A 27 -4.374 -7.554 1.450 1.00 62.21 H new ATOM 448 N ARG A 28 -6.233 -12.130 -2.296 1.00 52.32 N ATOM 449 CA ARG A 28 -5.948 -13.500 -2.706 1.00 41.31 C ATOM 450 C ARG A 28 -4.612 -13.580 -3.440 1.00 72.40 C ATOM 451 O ARG A 28 -3.753 -14.393 -3.098 1.00 55.12 O ATOM 452 CB ARG A 28 -7.068 -14.030 -3.603 1.00 62.23 C ATOM 453 CG ARG A 28 -6.803 -13.837 -5.087 1.00 40.24 C ATOM 454 CD ARG A 28 -7.848 -14.543 -5.936 1.00 60.22 C ATOM 455 NE ARG A 28 -8.095 -13.844 -7.194 1.00 73.35 N ATOM 456 CZ ARG A 28 -8.880 -14.316 -8.156 1.00 22.35 C ATOM 457 NH1 ARG A 28 -9.490 -15.484 -8.004 1.00 73.25 N ATOM 458 NH2 ARG A 28 -9.057 -13.621 -9.272 1.00 65.14 N ATOM 0 H ARG A 28 -6.737 -11.578 -2.990 1.00 52.32 H new ATOM 0 HA ARG A 28 -5.888 -14.117 -1.809 1.00 41.31 H new ATOM 0 HB2 ARG A 28 -7.210 -15.092 -3.403 1.00 62.23 H new ATOM 0 HB3 ARG A 28 -8.000 -13.529 -3.341 1.00 62.23 H new ATOM 0 HG2 ARG A 28 -6.801 -12.773 -5.322 1.00 40.24 H new ATOM 0 HG3 ARG A 28 -5.813 -14.220 -5.334 1.00 40.24 H new ATOM 0 HD2 ARG A 28 -7.518 -15.560 -6.146 1.00 60.22 H new ATOM 0 HD3 ARG A 28 -8.779 -14.619 -5.375 1.00 60.22 H new ATOM 0 HE ARG A 28 -7.640 -12.943 -7.342 1.00 73.35 H new ATOM 0 HH11 ARG A 28 -9.357 -16.021 -7.147 1.00 73.25 H new ATOM 0 HH12 ARG A 28 -10.092 -15.845 -8.744 1.00 73.25 H new ATOM 0 HH21 ARG A 28 -8.590 -12.722 -9.393 1.00 65.14 H new ATOM 0 HH22 ARG A 28 -9.660 -13.985 -10.009 1.00 65.14 H new ATOM 472 N ALA A 29 -4.446 -12.734 -4.450 1.00 74.43 N ATOM 473 CA ALA A 29 -3.216 -12.709 -5.232 1.00 11.31 C ATOM 474 C ALA A 29 -2.066 -12.116 -4.425 1.00 24.04 C ATOM 475 O ALA A 29 -0.903 -12.469 -4.633 1.00 14.44 O ATOM 476 CB ALA A 29 -3.422 -11.920 -6.517 1.00 32.14 C ATOM 0 H ALA A 29 -5.148 -12.056 -4.747 1.00 74.43 H new ATOM 0 HA ALA A 29 -2.956 -13.736 -5.487 1.00 11.31 H new ATOM 0 HB1 ALA A 29 -2.495 -11.910 -7.090 1.00 32.14 H new ATOM 0 HB2 ALA A 29 -4.210 -12.387 -7.108 1.00 32.14 H new ATOM 0 HB3 ALA A 29 -3.709 -10.897 -6.274 1.00 32.14 H new ATOM 482 N ILE A 30 -2.395 -11.216 -3.505 1.00 54.22 N ATOM 483 CA ILE A 30 -1.389 -10.576 -2.668 1.00 33.45 C ATOM 484 C ILE A 30 -0.865 -11.538 -1.607 1.00 12.41 C ATOM 485 O ILE A 30 0.298 -11.939 -1.638 1.00 72.21 O ATOM 486 CB ILE A 30 -1.950 -9.320 -1.974 1.00 41.15 C ATOM 487 CG1 ILE A 30 -2.820 -8.520 -2.946 1.00 44.21 C ATOM 488 CG2 ILE A 30 -0.815 -8.459 -1.440 1.00 24.35 C ATOM 489 CD1 ILE A 30 -2.077 -8.052 -4.177 1.00 60.31 C ATOM 0 H ILE A 30 -3.351 -10.913 -3.320 1.00 54.22 H new ATOM 0 HA ILE A 30 -0.571 -10.283 -3.326 1.00 33.45 H new ATOM 0 HB ILE A 30 -2.570 -9.633 -1.134 1.00 41.15 H new ATOM 0 HG12 ILE A 30 -3.666 -9.135 -3.254 1.00 44.21 H new ATOM 0 HG13 ILE A 30 -3.228 -7.653 -2.426 1.00 44.21 H new ATOM 0 HG21 ILE A 30 -1.227 -7.575 -0.952 1.00 24.35 H new ATOM 0 HG22 ILE A 30 -0.231 -9.032 -0.720 1.00 24.35 H new ATOM 0 HG23 ILE A 30 -0.172 -8.152 -2.265 1.00 24.35 H new ATOM 0 HD11 ILE A 30 -2.756 -7.492 -4.821 1.00 60.31 H new ATOM 0 HD12 ILE A 30 -1.247 -7.411 -3.879 1.00 60.31 H new ATOM 0 HD13 ILE A 30 -1.692 -8.915 -4.720 1.00 60.31 H new ATOM 501 N ASN A 31 -1.732 -11.905 -0.668 1.00 44.40 N ATOM 502 CA ASN A 31 -1.357 -12.820 0.403 1.00 43.00 C ATOM 503 C ASN A 31 -0.545 -13.992 -0.143 1.00 53.01 C ATOM 504 O ASN A 31 0.193 -14.646 0.594 1.00 55.05 O ATOM 505 CB ASN A 31 -2.606 -13.340 1.119 1.00 41.43 C ATOM 506 CG ASN A 31 -3.002 -12.468 2.294 1.00 75.21 C ATOM 507 OD1 ASN A 31 -2.267 -12.356 3.275 1.00 43.04 O ATOM 508 ND2 ASN A 31 -4.171 -11.845 2.200 1.00 11.13 N ATOM 0 H ASN A 31 -2.699 -11.582 -0.628 1.00 44.40 H new ATOM 0 HA ASN A 31 -0.740 -12.273 1.115 1.00 43.00 H new ATOM 0 HB2 ASN A 31 -3.433 -13.389 0.411 1.00 41.43 H new ATOM 0 HB3 ASN A 31 -2.425 -14.356 1.469 1.00 41.43 H new ATOM 0 HD21 ASN A 31 -4.492 -11.245 2.960 1.00 11.13 H new ATOM 0 HD22 ASN A 31 -4.748 -11.967 1.368 1.00 11.13 H new ATOM 515 N ASN A 32 -0.688 -14.251 -1.439 1.00 24.21 N ATOM 516 CA ASN A 32 0.031 -15.343 -2.084 1.00 24.34 C ATOM 517 C ASN A 32 1.539 -15.163 -1.937 1.00 63.34 C ATOM 518 O ASN A 32 2.316 -16.062 -2.260 1.00 2.24 O ATOM 519 CB ASN A 32 -0.343 -15.424 -3.565 1.00 0.54 C ATOM 520 CG ASN A 32 -0.022 -16.777 -4.169 1.00 21.50 C ATOM 521 OD1 ASN A 32 0.955 -16.926 -4.902 1.00 21.11 O ATOM 522 ND2 ASN A 32 -0.848 -17.773 -3.863 1.00 1.50 N ATOM 0 H ASN A 32 -1.295 -13.719 -2.063 1.00 24.21 H new ATOM 0 HA ASN A 32 -0.255 -16.273 -1.593 1.00 24.34 H new ATOM 0 HB2 ASN A 32 -1.408 -15.221 -3.680 1.00 0.54 H new ATOM 0 HB3 ASN A 32 0.190 -14.648 -4.115 1.00 0.54 H new ATOM 0 HD21 ASN A 32 -0.683 -18.706 -4.240 1.00 1.50 H new ATOM 0 HD22 ASN A 32 -1.646 -17.604 -3.251 1.00 1.50 H new ATOM 529 N TYR A 33 1.945 -13.996 -1.450 1.00 73.11 N ATOM 530 CA TYR A 33 3.359 -13.696 -1.263 1.00 2.15 C ATOM 531 C TYR A 33 3.942 -14.514 -0.114 1.00 71.11 C ATOM 532 O TYR A 33 5.148 -14.755 -0.058 1.00 5.21 O ATOM 533 CB TYR A 33 3.555 -12.204 -0.991 1.00 52.42 C ATOM 534 CG TYR A 33 2.783 -11.700 0.207 1.00 71.20 C ATOM 535 CD1 TYR A 33 3.037 -12.194 1.481 1.00 71.32 C ATOM 536 CD2 TYR A 33 1.798 -10.729 0.066 1.00 41.33 C ATOM 537 CE1 TYR A 33 2.333 -11.737 2.578 1.00 21.32 C ATOM 538 CE2 TYR A 33 1.091 -10.265 1.157 1.00 31.03 C ATOM 539 CZ TYR A 33 1.362 -10.772 2.411 1.00 33.51 C ATOM 540 OH TYR A 33 0.658 -10.314 3.502 1.00 45.34 O ATOM 0 H TYR A 33 1.314 -13.242 -1.177 1.00 73.11 H new ATOM 0 HA TYR A 33 3.885 -13.963 -2.180 1.00 2.15 H new ATOM 0 HB2 TYR A 33 4.616 -12.008 -0.838 1.00 52.42 H new ATOM 0 HB3 TYR A 33 3.251 -11.640 -1.872 1.00 52.42 H new ATOM 0 HD1 TYR A 33 3.798 -12.948 1.616 1.00 71.32 H new ATOM 0 HD2 TYR A 33 1.582 -10.331 -0.914 1.00 41.33 H new ATOM 0 HE1 TYR A 33 2.542 -12.133 3.561 1.00 21.32 H new ATOM 0 HE2 TYR A 33 0.330 -9.509 1.030 1.00 31.03 H new ATOM 0 HH TYR A 33 1.250 -9.781 4.073 1.00 45.34 H new ATOM 550 N ARG A 34 3.076 -14.938 0.801 1.00 24.40 N ATOM 551 CA ARG A 34 3.504 -15.728 1.949 1.00 35.44 C ATOM 552 C ARG A 34 2.421 -16.722 2.358 1.00 60.34 C ATOM 553 O ARG A 34 1.367 -16.803 1.726 1.00 52.34 O ATOM 554 CB ARG A 34 3.841 -14.813 3.127 1.00 23.11 C ATOM 555 CG ARG A 34 5.235 -14.211 3.050 1.00 1.34 C ATOM 556 CD ARG A 34 6.269 -15.114 3.705 1.00 72.53 C ATOM 557 NE ARG A 34 6.798 -16.106 2.772 1.00 73.30 N ATOM 558 CZ ARG A 34 7.326 -17.264 3.152 1.00 3.33 C ATOM 559 NH1 ARG A 34 7.395 -17.574 4.440 1.00 71.45 N ATOM 560 NH2 ARG A 34 7.786 -18.114 2.244 1.00 22.31 N ATOM 0 H ARG A 34 2.074 -14.748 0.769 1.00 24.40 H new ATOM 0 HA ARG A 34 4.396 -16.285 1.663 1.00 35.44 H new ATOM 0 HB2 ARG A 34 3.108 -14.007 3.172 1.00 23.11 H new ATOM 0 HB3 ARG A 34 3.749 -15.379 4.054 1.00 23.11 H new ATOM 0 HG2 ARG A 34 5.504 -14.045 2.007 1.00 1.34 H new ATOM 0 HG3 ARG A 34 5.239 -13.237 3.539 1.00 1.34 H new ATOM 0 HD2 ARG A 34 7.088 -14.507 4.092 1.00 72.53 H new ATOM 0 HD3 ARG A 34 5.819 -15.622 4.558 1.00 72.53 H new ATOM 0 HE ARG A 34 6.760 -15.898 1.774 1.00 73.30 H new ATOM 0 HH11 ARG A 34 7.042 -16.922 5.141 1.00 71.45 H new ATOM 0 HH12 ARG A 34 7.801 -18.464 4.729 1.00 71.45 H new ATOM 0 HH21 ARG A 34 7.735 -17.879 1.253 1.00 22.31 H new ATOM 0 HH22 ARG A 34 8.191 -19.003 2.537 1.00 22.31 H new ATOM 574 N TRP A 35 2.688 -17.478 3.416 1.00 22.05 N ATOM 575 CA TRP A 35 1.737 -18.468 3.910 1.00 54.13 C ATOM 576 C TRP A 35 0.929 -17.912 5.077 1.00 23.20 C ATOM 577 O TRP A 35 0.233 -18.654 5.770 1.00 15.04 O ATOM 578 CB TRP A 35 2.469 -19.740 4.339 1.00 14.43 C ATOM 579 CG TRP A 35 1.649 -20.983 4.172 1.00 52.21 C ATOM 580 CD1 TRP A 35 0.733 -21.485 5.052 1.00 4.02 C ATOM 581 CD2 TRP A 35 1.671 -21.881 3.057 1.00 52.52 C ATOM 582 NE1 TRP A 35 0.185 -22.642 4.552 1.00 51.51 N ATOM 583 CE2 TRP A 35 0.743 -22.905 3.329 1.00 20.23 C ATOM 584 CE3 TRP A 35 2.383 -21.918 1.855 1.00 32.32 C ATOM 585 CZ2 TRP A 35 0.512 -23.954 2.443 1.00 74.03 C ATOM 586 CZ3 TRP A 35 2.152 -22.960 0.976 1.00 14.13 C ATOM 587 CH2 TRP A 35 1.222 -23.966 1.273 1.00 54.32 C ATOM 0 H TRP A 35 3.556 -17.425 3.949 1.00 22.05 H new ATOM 0 HA TRP A 35 1.049 -18.710 3.100 1.00 54.13 H new ATOM 0 HB2 TRP A 35 3.385 -19.837 3.757 1.00 14.43 H new ATOM 0 HB3 TRP A 35 2.764 -19.646 5.384 1.00 14.43 H new ATOM 0 HD1 TRP A 35 0.477 -21.038 6.001 1.00 4.02 H new ATOM 0 HE1 TRP A 35 -0.522 -23.212 5.016 1.00 51.51 H new ATOM 0 HE3 TRP A 35 3.101 -21.147 1.617 1.00 32.32 H new ATOM 0 HZ2 TRP A 35 -0.203 -24.731 2.671 1.00 74.03 H new ATOM 0 HZ3 TRP A 35 2.697 -23.000 0.045 1.00 14.13 H new ATOM 0 HH2 TRP A 35 1.063 -24.766 0.565 1.00 54.32 H new ATOM 598 N ARG A 36 1.026 -16.604 5.289 1.00 12.40 N ATOM 599 CA ARG A 36 0.304 -15.950 6.374 1.00 42.04 C ATOM 600 C ARG A 36 -0.626 -14.869 5.833 1.00 13.43 C ATOM 601 O ARG A 36 -0.460 -14.396 4.709 1.00 1.53 O ATOM 602 CB ARG A 36 1.288 -15.338 7.373 1.00 25.31 C ATOM 603 CG ARG A 36 0.617 -14.526 8.469 1.00 1.50 C ATOM 604 CD ARG A 36 1.641 -13.882 9.391 1.00 44.33 C ATOM 605 NE ARG A 36 1.014 -13.249 10.547 1.00 14.10 N ATOM 606 CZ ARG A 36 1.692 -12.805 11.600 1.00 60.20 C ATOM 607 NH1 ARG A 36 3.012 -12.925 11.642 1.00 41.15 N ATOM 608 NH2 ARG A 36 1.050 -12.239 12.614 1.00 23.23 N ATOM 0 H ARG A 36 1.597 -15.976 4.724 1.00 12.40 H new ATOM 0 HA ARG A 36 -0.299 -16.703 6.882 1.00 42.04 H new ATOM 0 HB2 ARG A 36 1.872 -16.137 7.830 1.00 25.31 H new ATOM 0 HB3 ARG A 36 1.988 -14.698 6.835 1.00 25.31 H new ATOM 0 HG2 ARG A 36 -0.007 -13.753 8.020 1.00 1.50 H new ATOM 0 HG3 ARG A 36 -0.042 -15.171 9.050 1.00 1.50 H new ATOM 0 HD2 ARG A 36 2.349 -14.638 9.731 1.00 44.33 H new ATOM 0 HD3 ARG A 36 2.212 -13.138 8.835 1.00 44.33 H new ATOM 0 HE ARG A 36 -0.000 -13.142 10.547 1.00 14.10 H new ATOM 0 HH11 ARG A 36 3.510 -13.359 10.865 1.00 41.15 H new ATOM 0 HH12 ARG A 36 3.530 -12.583 12.452 1.00 41.15 H new ATOM 0 HH21 ARG A 36 0.035 -12.144 12.586 1.00 23.23 H new ATOM 0 HH22 ARG A 36 1.572 -11.899 13.422 1.00 23.23 H new ATOM 622 N CYS A 37 -1.608 -14.482 6.642 1.00 51.24 N ATOM 623 CA CYS A 37 -2.567 -13.457 6.246 1.00 43.40 C ATOM 624 C CYS A 37 -2.152 -12.089 6.781 1.00 14.43 C ATOM 625 O CYS A 37 -1.183 -11.970 7.531 1.00 51.42 O ATOM 626 CB CYS A 37 -3.965 -13.814 6.754 1.00 52.41 C ATOM 627 SG CYS A 37 -5.317 -13.197 5.701 1.00 31.45 S ATOM 0 H CYS A 37 -1.760 -14.863 7.576 1.00 51.24 H new ATOM 0 HA CYS A 37 -2.585 -13.411 5.157 1.00 43.40 H new ATOM 0 HB2 CYS A 37 -4.046 -14.898 6.833 1.00 52.41 H new ATOM 0 HB3 CYS A 37 -4.089 -13.411 7.759 1.00 52.41 H new ATOM 632 N LYS A 38 -2.896 -11.059 6.393 1.00 51.23 N ATOM 633 CA LYS A 38 -2.609 -9.698 6.834 1.00 24.03 C ATOM 634 C LYS A 38 -3.622 -9.240 7.878 1.00 33.21 C ATOM 635 O LYS A 38 -4.763 -9.699 7.892 1.00 51.52 O ATOM 636 CB LYS A 38 -2.622 -8.741 5.641 1.00 51.34 C ATOM 637 CG LYS A 38 -1.267 -8.580 4.974 1.00 25.14 C ATOM 638 CD LYS A 38 -0.472 -7.442 5.591 1.00 24.31 C ATOM 639 CE LYS A 38 0.503 -6.837 4.592 1.00 21.24 C ATOM 640 NZ LYS A 38 1.627 -6.135 5.270 1.00 1.23 N ATOM 0 H LYS A 38 -3.703 -11.140 5.774 1.00 51.23 H new ATOM 0 HA LYS A 38 -1.618 -9.690 7.287 1.00 24.03 H new ATOM 0 HB2 LYS A 38 -3.339 -9.102 4.904 1.00 51.34 H new ATOM 0 HB3 LYS A 38 -2.972 -7.764 5.974 1.00 51.34 H new ATOM 0 HG2 LYS A 38 -0.704 -9.509 5.064 1.00 25.14 H new ATOM 0 HG3 LYS A 38 -1.405 -8.393 3.909 1.00 25.14 H new ATOM 0 HD2 LYS A 38 -1.155 -6.671 5.947 1.00 24.31 H new ATOM 0 HD3 LYS A 38 0.076 -7.808 6.459 1.00 24.31 H new ATOM 0 HE2 LYS A 38 0.900 -7.623 3.950 1.00 21.24 H new ATOM 0 HE3 LYS A 38 -0.026 -6.136 3.947 1.00 21.24 H new ATOM 0 HZ1 LYS A 38 2.269 -5.737 4.555 1.00 1.23 H new ATOM 0 HZ2 LYS A 38 1.250 -5.368 5.863 1.00 1.23 H new ATOM 0 HZ3 LYS A 38 2.148 -6.809 5.866 1.00 1.23 H new ATOM 654 N ASN A 39 -3.197 -8.332 8.750 1.00 63.23 N ATOM 655 CA ASN A 39 -4.067 -7.810 9.798 1.00 22.54 C ATOM 656 C ASN A 39 -4.887 -6.630 9.286 1.00 20.31 C ATOM 657 O ASN A 39 -5.969 -6.347 9.798 1.00 14.11 O ATOM 658 CB ASN A 39 -3.240 -7.384 11.012 1.00 54.31 C ATOM 659 CG ASN A 39 -1.977 -8.208 11.170 1.00 32.42 C ATOM 660 OD1 ASN A 39 -0.908 -7.825 10.695 1.00 22.44 O ATOM 661 ND2 ASN A 39 -2.096 -9.349 11.842 1.00 72.14 N ATOM 0 H ASN A 39 -2.255 -7.942 8.752 1.00 63.23 H new ATOM 0 HA ASN A 39 -4.752 -8.604 10.096 1.00 22.54 H new ATOM 0 HB2 ASN A 39 -2.974 -6.331 10.915 1.00 54.31 H new ATOM 0 HB3 ASN A 39 -3.847 -7.478 11.913 1.00 54.31 H new ATOM 0 HD21 ASN A 39 -1.281 -9.946 11.981 1.00 72.14 H new ATOM 0 HD22 ASN A 39 -3.002 -9.627 12.218 1.00 72.14 H new ATOM 668 N GLN A 40 -4.363 -5.948 8.273 1.00 15.33 N ATOM 669 CA GLN A 40 -5.048 -4.799 7.693 1.00 53.15 C ATOM 670 C GLN A 40 -4.294 -4.274 6.475 1.00 70.10 C ATOM 671 O GLN A 40 -3.066 -4.315 6.429 1.00 41.22 O ATOM 672 CB GLN A 40 -5.195 -3.687 8.733 1.00 24.34 C ATOM 673 CG GLN A 40 -6.513 -2.936 8.639 1.00 54.32 C ATOM 674 CD GLN A 40 -6.397 -1.494 9.092 1.00 54.24 C ATOM 675 OE1 GLN A 40 -6.231 -1.216 10.279 1.00 50.30 O ATOM 676 NE2 GLN A 40 -6.484 -0.567 8.145 1.00 10.33 N ATOM 0 H GLN A 40 -3.468 -6.171 7.837 1.00 15.33 H new ATOM 0 HA GLN A 40 -6.039 -5.122 7.374 1.00 53.15 H new ATOM 0 HB2 GLN A 40 -5.103 -4.119 9.730 1.00 24.34 H new ATOM 0 HB3 GLN A 40 -4.374 -2.980 8.615 1.00 24.34 H new ATOM 0 HG2 GLN A 40 -6.869 -2.962 7.609 1.00 54.32 H new ATOM 0 HG3 GLN A 40 -7.261 -3.445 9.247 1.00 54.32 H new ATOM 0 HE21 GLN A 40 -6.622 -0.843 7.173 1.00 10.33 H new ATOM 0 HE22 GLN A 40 -6.413 0.421 8.390 1.00 10.33 H new ATOM 685 N ASN A 41 -5.039 -3.782 5.491 1.00 61.03 N ATOM 686 CA ASN A 41 -4.441 -3.250 4.272 1.00 24.50 C ATOM 687 C ASN A 41 -5.275 -2.102 3.712 1.00 11.42 C ATOM 688 O ASN A 41 -6.452 -1.956 4.043 1.00 72.33 O ATOM 689 CB ASN A 41 -4.305 -4.356 3.221 1.00 41.31 C ATOM 690 CG ASN A 41 -3.399 -3.954 2.074 1.00 41.11 C ATOM 691 OD1 ASN A 41 -2.676 -2.961 2.157 1.00 23.11 O ATOM 692 ND2 ASN A 41 -3.436 -4.726 0.994 1.00 44.32 N ATOM 0 H ASN A 41 -6.058 -3.741 5.514 1.00 61.03 H new ATOM 0 HA ASN A 41 -3.451 -2.869 4.520 1.00 24.50 H new ATOM 0 HB2 ASN A 41 -3.911 -5.256 3.693 1.00 41.31 H new ATOM 0 HB3 ASN A 41 -5.292 -4.606 2.831 1.00 41.31 H new ATOM 0 HD21 ASN A 41 -2.850 -4.505 0.189 1.00 44.32 H new ATOM 0 HD22 ASN A 41 -4.051 -5.540 0.969 1.00 44.32 H new ATOM 699 N THR A 42 -4.656 -1.287 2.863 1.00 63.24 N ATOM 700 CA THR A 42 -5.340 -0.151 2.258 1.00 65.14 C ATOM 701 C THR A 42 -4.958 0.002 0.790 1.00 21.12 C ATOM 702 O THR A 42 -3.815 0.325 0.466 1.00 62.21 O ATOM 703 CB THR A 42 -5.017 1.159 3.000 1.00 32.02 C ATOM 704 OG1 THR A 42 -5.511 1.095 4.343 1.00 55.31 O ATOM 705 CG2 THR A 42 -5.631 2.352 2.284 1.00 11.05 C ATOM 0 H THR A 42 -3.682 -1.393 2.579 1.00 63.24 H new ATOM 0 HA THR A 42 -6.409 -0.349 2.334 1.00 65.14 H new ATOM 0 HB THR A 42 -3.934 1.284 3.017 1.00 32.02 H new ATOM 0 HG1 THR A 42 -5.300 1.931 4.809 1.00 55.31 H new ATOM 0 HG21 THR A 42 -5.389 3.266 2.827 1.00 11.05 H new ATOM 0 HG22 THR A 42 -5.231 2.414 1.272 1.00 11.05 H new ATOM 0 HG23 THR A 42 -6.713 2.232 2.239 1.00 11.05 H new ATOM 713 N PHE A 43 -5.922 -0.230 -0.095 1.00 64.01 N ATOM 714 CA PHE A 43 -5.686 -0.117 -1.529 1.00 60.34 C ATOM 715 C PHE A 43 -6.157 1.236 -2.053 1.00 62.14 C ATOM 716 O PHE A 43 -7.357 1.476 -2.194 1.00 13.23 O ATOM 717 CB PHE A 43 -6.403 -1.244 -2.275 1.00 60.24 C ATOM 718 CG PHE A 43 -5.984 -2.617 -1.834 1.00 35.24 C ATOM 719 CD1 PHE A 43 -6.171 -3.025 -0.523 1.00 15.12 C ATOM 720 CD2 PHE A 43 -5.404 -3.500 -2.730 1.00 23.25 C ATOM 721 CE1 PHE A 43 -5.787 -4.287 -0.114 1.00 65.00 C ATOM 722 CE2 PHE A 43 -5.017 -4.765 -2.326 1.00 23.31 C ATOM 723 CZ PHE A 43 -5.210 -5.159 -1.017 1.00 45.33 C ATOM 0 H PHE A 43 -6.874 -0.497 0.156 1.00 64.01 H new ATOM 0 HA PHE A 43 -4.613 -0.200 -1.703 1.00 60.34 H new ATOM 0 HB2 PHE A 43 -7.478 -1.137 -2.131 1.00 60.24 H new ATOM 0 HB3 PHE A 43 -6.212 -1.140 -3.343 1.00 60.24 H new ATOM 0 HD1 PHE A 43 -6.622 -2.348 0.187 1.00 15.12 H new ATOM 0 HD2 PHE A 43 -5.252 -3.197 -3.756 1.00 23.25 H new ATOM 0 HE1 PHE A 43 -5.938 -4.592 0.911 1.00 65.00 H new ATOM 0 HE2 PHE A 43 -4.564 -5.444 -3.034 1.00 23.31 H new ATOM 0 HZ PHE A 43 -4.911 -6.147 -0.700 1.00 45.33 H new ATOM 733 N LEU A 44 -5.205 2.117 -2.341 1.00 30.20 N ATOM 734 CA LEU A 44 -5.521 3.447 -2.849 1.00 50.02 C ATOM 735 C LEU A 44 -5.870 3.393 -4.334 1.00 13.35 C ATOM 736 O LEU A 44 -5.140 2.808 -5.133 1.00 63.11 O ATOM 737 CB LEU A 44 -4.341 4.394 -2.625 1.00 62.12 C ATOM 738 CG LEU A 44 -3.453 4.085 -1.420 1.00 23.30 C ATOM 739 CD1 LEU A 44 -2.614 5.299 -1.050 1.00 34.32 C ATOM 740 CD2 LEU A 44 -4.296 3.636 -0.235 1.00 74.14 C ATOM 0 H LEU A 44 -4.208 1.934 -2.231 1.00 30.20 H new ATOM 0 HA LEU A 44 -6.387 3.821 -2.304 1.00 50.02 H new ATOM 0 HB2 LEU A 44 -3.720 4.386 -3.521 1.00 62.12 H new ATOM 0 HB3 LEU A 44 -4.729 5.407 -2.515 1.00 62.12 H new ATOM 0 HG LEU A 44 -2.780 3.271 -1.689 1.00 23.30 H new ATOM 0 HD11 LEU A 44 -1.988 5.060 -0.190 1.00 34.32 H new ATOM 0 HD12 LEU A 44 -1.981 5.575 -1.894 1.00 34.32 H new ATOM 0 HD13 LEU A 44 -3.270 6.133 -0.801 1.00 34.32 H new ATOM 0 HD21 LEU A 44 -3.646 3.421 0.613 1.00 74.14 H new ATOM 0 HD22 LEU A 44 -4.995 4.428 0.035 1.00 74.14 H new ATOM 0 HD23 LEU A 44 -4.852 2.738 -0.503 1.00 74.14 H new ATOM 752 N ARG A 45 -6.990 4.011 -4.695 1.00 60.10 N ATOM 753 CA ARG A 45 -7.435 4.034 -6.084 1.00 13.15 C ATOM 754 C ARG A 45 -6.603 5.014 -6.905 1.00 12.14 C ATOM 755 O ARG A 45 -7.038 6.131 -7.189 1.00 31.35 O ATOM 756 CB ARG A 45 -8.915 4.417 -6.159 1.00 73.33 C ATOM 757 CG ARG A 45 -9.842 3.399 -5.515 1.00 64.00 C ATOM 758 CD ARG A 45 -11.206 3.384 -6.186 1.00 70.24 C ATOM 759 NE ARG A 45 -11.977 4.587 -5.885 1.00 72.34 N ATOM 760 CZ ARG A 45 -13.303 4.641 -5.932 1.00 41.12 C ATOM 761 NH1 ARG A 45 -14.003 3.565 -6.265 1.00 1.24 N ATOM 762 NH2 ARG A 45 -13.933 5.774 -5.645 1.00 23.41 N ATOM 0 H ARG A 45 -7.605 4.502 -4.046 1.00 60.10 H new ATOM 0 HA ARG A 45 -7.302 3.035 -6.500 1.00 13.15 H new ATOM 0 HB2 ARG A 45 -9.057 5.383 -5.674 1.00 73.33 H new ATOM 0 HB3 ARG A 45 -9.197 4.542 -7.205 1.00 73.33 H new ATOM 0 HG2 ARG A 45 -9.394 2.407 -5.577 1.00 64.00 H new ATOM 0 HG3 ARG A 45 -9.959 3.630 -4.456 1.00 64.00 H new ATOM 0 HD2 ARG A 45 -11.078 3.296 -7.265 1.00 70.24 H new ATOM 0 HD3 ARG A 45 -11.762 2.506 -5.858 1.00 70.24 H new ATOM 0 HE ARG A 45 -11.469 5.432 -5.624 1.00 72.34 H new ATOM 0 HH11 ARG A 45 -13.523 2.693 -6.486 1.00 1.24 H new ATOM 0 HH12 ARG A 45 -15.021 3.610 -6.300 1.00 1.24 H new ATOM 0 HH21 ARG A 45 -13.398 6.604 -5.388 1.00 23.41 H new ATOM 0 HH22 ARG A 45 -14.952 5.815 -5.681 1.00 23.41 H new ATOM 776 N THR A 46 -5.401 4.589 -7.283 1.00 13.24 N ATOM 777 CA THR A 46 -4.506 5.428 -8.070 1.00 33.14 C ATOM 778 C THR A 46 -3.399 4.601 -8.712 1.00 3.22 C ATOM 779 O THR A 46 -3.119 3.480 -8.284 1.00 2.00 O ATOM 780 CB THR A 46 -3.870 6.534 -7.206 1.00 50.35 C ATOM 781 OG1 THR A 46 -3.404 7.600 -8.042 1.00 64.21 O ATOM 782 CG2 THR A 46 -2.714 5.983 -6.386 1.00 32.52 C ATOM 0 H THR A 46 -5.025 3.668 -7.056 1.00 13.24 H new ATOM 0 HA THR A 46 -5.110 5.889 -8.851 1.00 33.14 H new ATOM 0 HB THR A 46 -4.630 6.914 -6.523 1.00 50.35 H new ATOM 0 HG1 THR A 46 -3.301 8.415 -7.507 1.00 64.21 H new ATOM 0 HG21 THR A 46 -2.281 6.782 -5.784 1.00 32.52 H new ATOM 0 HG22 THR A 46 -3.078 5.192 -5.731 1.00 32.52 H new ATOM 0 HG23 THR A 46 -1.953 5.580 -7.055 1.00 32.52 H new ATOM 790 N THR A 47 -2.771 5.159 -9.742 1.00 44.23 N ATOM 791 CA THR A 47 -1.693 4.472 -10.443 1.00 71.22 C ATOM 792 C THR A 47 -0.345 4.755 -9.792 1.00 30.54 C ATOM 793 O THR A 47 -0.139 5.816 -9.202 1.00 20.40 O ATOM 794 CB THR A 47 -1.633 4.890 -11.924 1.00 65.44 C ATOM 795 OG1 THR A 47 -2.115 6.229 -12.077 1.00 43.42 O ATOM 796 CG2 THR A 47 -2.458 3.947 -12.787 1.00 20.31 C ATOM 0 H THR A 47 -2.990 6.085 -10.109 1.00 44.23 H new ATOM 0 HA THR A 47 -1.905 3.405 -10.381 1.00 71.22 H new ATOM 0 HB THR A 47 -0.594 4.840 -12.249 1.00 65.44 H new ATOM 0 HG1 THR A 47 -2.072 6.486 -13.022 1.00 43.42 H new ATOM 0 HG21 THR A 47 -2.400 4.263 -13.829 1.00 20.31 H new ATOM 0 HG22 THR A 47 -2.069 2.933 -12.693 1.00 20.31 H new ATOM 0 HG23 THR A 47 -3.497 3.969 -12.459 1.00 20.31 H new ATOM 804 N PHE A 48 0.572 3.799 -9.902 1.00 4.24 N ATOM 805 CA PHE A 48 1.902 3.945 -9.323 1.00 42.31 C ATOM 806 C PHE A 48 2.477 5.327 -9.622 1.00 42.13 C ATOM 807 O PHE A 48 3.151 5.925 -8.784 1.00 61.20 O ATOM 808 CB PHE A 48 2.839 2.863 -9.863 1.00 21.21 C ATOM 809 CG PHE A 48 3.879 2.422 -8.874 1.00 23.23 C ATOM 810 CD1 PHE A 48 3.515 2.008 -7.603 1.00 32.50 C ATOM 811 CD2 PHE A 48 5.223 2.422 -9.214 1.00 73.02 C ATOM 812 CE1 PHE A 48 4.471 1.603 -6.690 1.00 22.41 C ATOM 813 CE2 PHE A 48 6.183 2.018 -8.306 1.00 21.41 C ATOM 814 CZ PHE A 48 5.806 1.606 -7.043 1.00 41.34 C ATOM 0 H PHE A 48 0.418 2.915 -10.387 1.00 4.24 H new ATOM 0 HA PHE A 48 1.814 3.833 -8.242 1.00 42.31 H new ATOM 0 HB2 PHE A 48 2.247 1.999 -10.165 1.00 21.21 H new ATOM 0 HB3 PHE A 48 3.336 3.238 -10.758 1.00 21.21 H new ATOM 0 HD1 PHE A 48 2.472 2.002 -7.322 1.00 32.50 H new ATOM 0 HD2 PHE A 48 5.523 2.742 -10.201 1.00 73.02 H new ATOM 0 HE1 PHE A 48 4.174 1.285 -5.702 1.00 22.41 H new ATOM 0 HE2 PHE A 48 7.227 2.024 -8.584 1.00 21.41 H new ATOM 0 HZ PHE A 48 6.554 1.287 -6.332 1.00 41.34 H new ATOM 824 N ALA A 49 2.206 5.827 -10.823 1.00 23.13 N ATOM 825 CA ALA A 49 2.694 7.137 -11.233 1.00 61.12 C ATOM 826 C ALA A 49 2.249 8.220 -10.255 1.00 64.43 C ATOM 827 O ALA A 49 3.074 8.953 -9.710 1.00 35.41 O ATOM 828 CB ALA A 49 2.212 7.463 -12.640 1.00 2.31 C ATOM 0 H ALA A 49 1.651 5.344 -11.529 1.00 23.13 H new ATOM 0 HA ALA A 49 3.784 7.108 -11.231 1.00 61.12 H new ATOM 0 HB1 ALA A 49 2.584 8.445 -12.934 1.00 2.31 H new ATOM 0 HB2 ALA A 49 2.584 6.711 -13.336 1.00 2.31 H new ATOM 0 HB3 ALA A 49 1.122 7.467 -12.659 1.00 2.31 H new ATOM 834 N ASN A 50 0.941 8.314 -10.038 1.00 64.31 N ATOM 835 CA ASN A 50 0.387 9.307 -9.127 1.00 2.53 C ATOM 836 C ASN A 50 1.067 9.232 -7.762 1.00 22.33 C ATOM 837 O ASN A 50 1.037 10.188 -6.988 1.00 41.51 O ATOM 838 CB ASN A 50 -1.120 9.102 -8.970 1.00 11.31 C ATOM 839 CG ASN A 50 -1.885 9.448 -10.234 1.00 25.53 C ATOM 840 OD1 ASN A 50 -2.057 10.620 -10.568 1.00 2.10 O ATOM 841 ND2 ASN A 50 -2.347 8.424 -10.943 1.00 1.22 N ATOM 0 H ASN A 50 0.245 7.714 -10.481 1.00 64.31 H new ATOM 0 HA ASN A 50 0.570 10.294 -9.551 1.00 2.53 H new ATOM 0 HB2 ASN A 50 -1.317 8.064 -8.702 1.00 11.31 H new ATOM 0 HB3 ASN A 50 -1.484 9.718 -8.148 1.00 11.31 H new ATOM 0 HD21 ASN A 50 -2.869 8.593 -11.803 1.00 1.22 H new ATOM 0 HD22 ASN A 50 -2.180 7.469 -10.627 1.00 1.22 H new ATOM 848 N VAL A 51 1.679 8.088 -7.474 1.00 34.51 N ATOM 849 CA VAL A 51 2.367 7.887 -6.205 1.00 32.15 C ATOM 850 C VAL A 51 3.813 8.364 -6.281 1.00 61.34 C ATOM 851 O VAL A 51 4.332 8.960 -5.338 1.00 43.25 O ATOM 852 CB VAL A 51 2.348 6.406 -5.784 1.00 21.35 C ATOM 853 CG1 VAL A 51 3.470 6.116 -4.799 1.00 31.05 C ATOM 854 CG2 VAL A 51 0.997 6.039 -5.189 1.00 22.33 C ATOM 0 H VAL A 51 1.712 7.286 -8.103 1.00 34.51 H new ATOM 0 HA VAL A 51 1.832 8.476 -5.460 1.00 32.15 H new ATOM 0 HB VAL A 51 2.508 5.792 -6.670 1.00 21.35 H new ATOM 0 HG11 VAL A 51 3.440 5.065 -4.513 1.00 31.05 H new ATOM 0 HG12 VAL A 51 4.430 6.338 -5.265 1.00 31.05 H new ATOM 0 HG13 VAL A 51 3.345 6.737 -3.912 1.00 31.05 H new ATOM 0 HG21 VAL A 51 1.001 4.989 -4.897 1.00 22.33 H new ATOM 0 HG22 VAL A 51 0.805 6.659 -4.313 1.00 22.33 H new ATOM 0 HG23 VAL A 51 0.215 6.206 -5.930 1.00 22.33 H new ATOM 864 N VAL A 52 4.458 8.096 -7.413 1.00 5.22 N ATOM 865 CA VAL A 52 5.845 8.499 -7.614 1.00 32.22 C ATOM 866 C VAL A 52 5.988 10.016 -7.569 1.00 65.22 C ATOM 867 O VAL A 52 6.995 10.541 -7.094 1.00 62.25 O ATOM 868 CB VAL A 52 6.389 7.983 -8.960 1.00 4.02 C ATOM 869 CG1 VAL A 52 7.811 8.475 -9.185 1.00 54.12 C ATOM 870 CG2 VAL A 52 6.328 6.463 -9.010 1.00 51.22 C ATOM 0 H VAL A 52 4.043 7.602 -8.203 1.00 5.22 H new ATOM 0 HA VAL A 52 6.424 8.058 -6.803 1.00 32.22 H new ATOM 0 HB VAL A 52 5.763 8.376 -9.761 1.00 4.02 H new ATOM 0 HG11 VAL A 52 8.179 8.101 -10.140 1.00 54.12 H new ATOM 0 HG12 VAL A 52 7.822 9.565 -9.194 1.00 54.12 H new ATOM 0 HG13 VAL A 52 8.453 8.112 -8.382 1.00 54.12 H new ATOM 0 HG21 VAL A 52 6.716 6.115 -9.967 1.00 51.22 H new ATOM 0 HG22 VAL A 52 6.930 6.048 -8.202 1.00 51.22 H new ATOM 0 HG23 VAL A 52 5.294 6.136 -8.897 1.00 51.22 H new ATOM 880 N ASN A 53 4.975 10.716 -8.067 1.00 12.15 N ATOM 881 CA ASN A 53 4.987 12.175 -8.083 1.00 65.34 C ATOM 882 C ASN A 53 4.855 12.736 -6.670 1.00 73.02 C ATOM 883 O ASN A 53 5.239 13.875 -6.405 1.00 63.51 O ATOM 884 CB ASN A 53 3.854 12.705 -8.964 1.00 1.52 C ATOM 885 CG ASN A 53 3.450 14.120 -8.596 1.00 4.15 C ATOM 886 OD1 ASN A 53 3.877 15.084 -9.230 1.00 2.22 O ATOM 887 ND2 ASN A 53 2.623 14.249 -7.565 1.00 10.44 N ATOM 0 H ASN A 53 4.135 10.297 -8.465 1.00 12.15 H new ATOM 0 HA ASN A 53 5.942 12.502 -8.496 1.00 65.34 H new ATOM 0 HB2 ASN A 53 4.166 12.679 -10.008 1.00 1.52 H new ATOM 0 HB3 ASN A 53 2.989 12.048 -8.874 1.00 1.52 H new ATOM 0 HD21 ASN A 53 2.317 15.176 -7.270 1.00 10.44 H new ATOM 0 HD22 ASN A 53 2.294 13.421 -7.068 1.00 10.44 H new ATOM 894 N VAL A 54 4.308 11.929 -5.768 1.00 25.45 N ATOM 895 CA VAL A 54 4.126 12.342 -4.382 1.00 3.43 C ATOM 896 C VAL A 54 5.458 12.385 -3.641 1.00 13.42 C ATOM 897 O VAL A 54 5.634 13.162 -2.702 1.00 43.51 O ATOM 898 CB VAL A 54 3.166 11.397 -3.635 1.00 52.32 C ATOM 899 CG1 VAL A 54 3.349 11.529 -2.131 1.00 1.13 C ATOM 900 CG2 VAL A 54 1.725 11.680 -4.032 1.00 2.44 C ATOM 0 H VAL A 54 3.983 10.984 -5.972 1.00 25.45 H new ATOM 0 HA VAL A 54 3.694 13.342 -4.405 1.00 3.43 H new ATOM 0 HB VAL A 54 3.402 10.371 -3.916 1.00 52.32 H new ATOM 0 HG11 VAL A 54 2.662 10.854 -1.620 1.00 1.13 H new ATOM 0 HG12 VAL A 54 4.375 11.273 -1.865 1.00 1.13 H new ATOM 0 HG13 VAL A 54 3.141 12.555 -1.828 1.00 1.13 H new ATOM 0 HG21 VAL A 54 1.060 11.003 -3.495 1.00 2.44 H new ATOM 0 HG22 VAL A 54 1.474 12.711 -3.781 1.00 2.44 H new ATOM 0 HG23 VAL A 54 1.607 11.529 -5.105 1.00 2.44 H new ATOM 910 N CYS A 55 6.394 11.546 -4.070 1.00 20.34 N ATOM 911 CA CYS A 55 7.712 11.486 -3.448 1.00 51.55 C ATOM 912 C CYS A 55 8.526 12.733 -3.780 1.00 62.05 C ATOM 913 O CYS A 55 9.396 13.142 -3.013 1.00 55.34 O ATOM 914 CB CYS A 55 8.461 10.235 -3.912 1.00 44.42 C ATOM 915 SG CYS A 55 7.383 8.809 -4.260 1.00 21.44 S ATOM 0 H CYS A 55 6.265 10.897 -4.847 1.00 20.34 H new ATOM 0 HA CYS A 55 7.576 11.439 -2.368 1.00 51.55 H new ATOM 0 HB2 CYS A 55 9.028 10.476 -4.811 1.00 44.42 H new ATOM 0 HB3 CYS A 55 9.184 9.952 -3.146 1.00 44.42 H new ATOM 920 N GLY A 56 8.237 13.333 -4.932 1.00 33.04 N ATOM 921 CA GLY A 56 8.951 14.527 -5.346 1.00 35.22 C ATOM 922 C GLY A 56 8.480 15.767 -4.613 1.00 54.14 C ATOM 923 O GLY A 56 9.077 16.835 -4.741 1.00 31.14 O ATOM 0 H GLY A 56 7.522 13.013 -5.585 1.00 33.04 H new ATOM 0 HA2 GLY A 56 10.018 14.388 -5.170 1.00 35.22 H new ATOM 0 HA3 GLY A 56 8.821 14.671 -6.419 1.00 35.22 H new ATOM 927 N ASN A 57 7.403 15.627 -3.846 1.00 60.51 N ATOM 928 CA ASN A 57 6.851 16.746 -3.093 1.00 52.34 C ATOM 929 C ASN A 57 7.544 16.887 -1.741 1.00 72.20 C ATOM 930 O ASN A 57 8.238 15.976 -1.291 1.00 62.13 O ATOM 931 CB ASN A 57 5.346 16.558 -2.889 1.00 60.00 C ATOM 932 CG ASN A 57 5.031 15.517 -1.832 1.00 32.02 C ATOM 933 OD1 ASN A 57 5.929 14.998 -1.170 1.00 23.32 O ATOM 934 ND2 ASN A 57 3.750 15.209 -1.670 1.00 21.15 N ATOM 0 H ASN A 57 6.896 14.750 -3.730 1.00 60.51 H new ATOM 0 HA ASN A 57 7.023 17.657 -3.667 1.00 52.34 H new ATOM 0 HB2 ASN A 57 4.899 17.510 -2.602 1.00 60.00 H new ATOM 0 HB3 ASN A 57 4.888 16.263 -3.833 1.00 60.00 H new ATOM 0 HD21 ASN A 57 3.476 14.516 -0.973 1.00 21.15 H new ATOM 0 HD22 ASN A 57 3.039 15.665 -2.242 1.00 21.15 H new ATOM 941 N GLN A 58 7.350 18.035 -1.099 1.00 72.13 N ATOM 942 CA GLN A 58 7.957 18.294 0.200 1.00 11.44 C ATOM 943 C GLN A 58 7.772 17.104 1.135 1.00 61.10 C ATOM 944 O GLN A 58 6.669 16.844 1.615 1.00 20.31 O ATOM 945 CB GLN A 58 7.349 19.550 0.829 1.00 41.40 C ATOM 946 CG GLN A 58 8.285 20.262 1.792 1.00 2.13 C ATOM 947 CD GLN A 58 8.407 19.547 3.123 1.00 21.43 C ATOM 948 OE1 GLN A 58 7.425 19.028 3.655 1.00 55.40 O ATOM 949 NE2 GLN A 58 9.617 19.513 3.669 1.00 31.13 N ATOM 0 H GLN A 58 6.778 18.799 -1.458 1.00 72.13 H new ATOM 0 HA GLN A 58 9.025 18.451 0.049 1.00 11.44 H new ATOM 0 HB2 GLN A 58 7.062 20.241 0.036 1.00 41.40 H new ATOM 0 HB3 GLN A 58 6.436 19.276 1.358 1.00 41.40 H new ATOM 0 HG2 GLN A 58 9.272 20.347 1.338 1.00 2.13 H new ATOM 0 HG3 GLN A 58 7.924 21.276 1.961 1.00 2.13 H new ATOM 0 HE21 GLN A 58 10.403 19.956 3.194 1.00 31.13 H new ATOM 0 HE22 GLN A 58 9.760 19.044 4.563 1.00 31.13 H new ATOM 958 N SER A 59 8.860 16.383 1.390 1.00 60.53 N ATOM 959 CA SER A 59 8.816 15.217 2.263 1.00 1.31 C ATOM 960 C SER A 59 8.526 15.628 3.703 1.00 34.24 C ATOM 961 O SER A 59 8.780 16.766 4.099 1.00 34.01 O ATOM 962 CB SER A 59 10.141 14.454 2.197 1.00 54.03 C ATOM 963 OG SER A 59 11.220 15.330 1.922 1.00 5.20 O ATOM 0 H SER A 59 9.782 16.587 1.004 1.00 60.53 H new ATOM 0 HA SER A 59 8.012 14.566 1.919 1.00 1.31 H new ATOM 0 HB2 SER A 59 10.317 13.941 3.143 1.00 54.03 H new ATOM 0 HB3 SER A 59 10.085 13.687 1.424 1.00 54.03 H new ATOM 0 HG SER A 59 12.055 14.819 1.887 1.00 5.20 H new ATOM 969 N ILE A 60 7.991 14.693 4.483 1.00 53.11 N ATOM 970 CA ILE A 60 7.666 14.957 5.878 1.00 22.34 C ATOM 971 C ILE A 60 8.098 13.799 6.772 1.00 3.33 C ATOM 972 O ILE A 60 8.601 12.783 6.290 1.00 41.43 O ATOM 973 CB ILE A 60 6.158 15.202 6.069 1.00 74.33 C ATOM 974 CG1 ILE A 60 5.348 14.190 5.256 1.00 63.34 C ATOM 975 CG2 ILE A 60 5.797 16.624 5.666 1.00 44.23 C ATOM 976 CD1 ILE A 60 3.855 14.299 5.470 1.00 54.31 C ATOM 0 H ILE A 60 7.774 13.746 4.171 1.00 53.11 H new ATOM 0 HA ILE A 60 8.211 15.857 6.163 1.00 22.34 H new ATOM 0 HB ILE A 60 5.914 15.071 7.123 1.00 74.33 H new ATOM 0 HG12 ILE A 60 5.566 14.329 4.197 1.00 63.34 H new ATOM 0 HG13 ILE A 60 5.672 13.183 5.519 1.00 63.34 H new ATOM 0 HG21 ILE A 60 4.728 16.782 5.807 1.00 44.23 H new ATOM 0 HG22 ILE A 60 6.352 17.329 6.284 1.00 44.23 H new ATOM 0 HG23 ILE A 60 6.052 16.781 4.618 1.00 44.23 H new ATOM 0 HD11 ILE A 60 3.345 13.552 4.862 1.00 54.31 H new ATOM 0 HD12 ILE A 60 3.625 14.130 6.522 1.00 54.31 H new ATOM 0 HD13 ILE A 60 3.518 15.294 5.180 1.00 54.31 H new ATOM 988 N ARG A 61 7.897 13.957 8.076 1.00 53.41 N ATOM 989 CA ARG A 61 8.266 12.925 9.038 1.00 75.45 C ATOM 990 C ARG A 61 7.060 12.059 9.395 1.00 51.45 C ATOM 991 O ARG A 61 6.065 12.552 9.927 1.00 3.32 O ATOM 992 CB ARG A 61 8.845 13.560 10.303 1.00 74.51 C ATOM 993 CG ARG A 61 10.214 14.185 10.099 1.00 52.14 C ATOM 994 CD ARG A 61 10.851 14.575 11.423 1.00 13.33 C ATOM 995 NE ARG A 61 12.107 15.296 11.235 1.00 44.42 N ATOM 996 CZ ARG A 61 12.178 16.606 11.026 1.00 2.41 C ATOM 997 NH1 ARG A 61 11.071 17.335 10.979 1.00 64.22 N ATOM 998 NH2 ARG A 61 13.358 17.191 10.865 1.00 71.15 N ATOM 0 H ARG A 61 7.480 14.790 8.491 1.00 53.41 H new ATOM 0 HA ARG A 61 9.024 12.290 8.580 1.00 75.45 H new ATOM 0 HB2 ARG A 61 8.156 14.324 10.664 1.00 74.51 H new ATOM 0 HB3 ARG A 61 8.914 12.800 11.082 1.00 74.51 H new ATOM 0 HG2 ARG A 61 10.862 13.482 9.575 1.00 52.14 H new ATOM 0 HG3 ARG A 61 10.122 15.067 9.465 1.00 52.14 H new ATOM 0 HD2 ARG A 61 10.158 15.197 11.990 1.00 13.33 H new ATOM 0 HD3 ARG A 61 11.033 13.679 12.016 1.00 13.33 H new ATOM 0 HE ARG A 61 12.977 14.765 11.266 1.00 44.42 H new ATOM 0 HH11 ARG A 61 10.162 16.890 11.104 1.00 64.22 H new ATOM 0 HH12 ARG A 61 11.129 18.341 10.818 1.00 64.22 H new ATOM 0 HH21 ARG A 61 14.212 16.635 10.902 1.00 71.15 H new ATOM 0 HH22 ARG A 61 13.411 18.197 10.705 1.00 71.15 H new ATOM 1012 N CYS A 62 7.157 10.768 9.097 1.00 75.34 N ATOM 1013 CA CYS A 62 6.075 9.834 9.384 1.00 52.42 C ATOM 1014 C CYS A 62 5.835 9.726 10.887 1.00 50.51 C ATOM 1015 O CYS A 62 6.762 9.793 11.695 1.00 34.13 O ATOM 1016 CB CYS A 62 6.398 8.455 8.808 1.00 61.33 C ATOM 1017 SG CYS A 62 5.935 8.254 7.057 1.00 1.03 S ATOM 0 H CYS A 62 7.974 10.345 8.657 1.00 75.34 H new ATOM 0 HA CYS A 62 5.167 10.213 8.915 1.00 52.42 H new ATOM 0 HB2 CYS A 62 7.467 8.270 8.914 1.00 61.33 H new ATOM 0 HB3 CYS A 62 5.883 7.697 9.398 1.00 61.33 H new ATOM 1022 N PRO A 63 4.562 9.554 11.273 1.00 31.41 N ATOM 1023 CA PRO A 63 4.170 9.431 12.680 1.00 2.21 C ATOM 1024 C PRO A 63 4.638 8.119 13.301 1.00 64.14 C ATOM 1025 O PRO A 63 4.881 8.042 14.505 1.00 32.11 O ATOM 1026 CB PRO A 63 2.642 9.483 12.629 1.00 62.43 C ATOM 1027 CG PRO A 63 2.292 9.004 11.263 1.00 42.04 C ATOM 1028 CD PRO A 63 3.407 9.465 10.364 1.00 22.40 C ATOM 0 HA PRO A 63 4.616 10.211 13.296 1.00 2.21 H new ATOM 0 HB2 PRO A 63 2.199 8.849 13.397 1.00 62.43 H new ATOM 0 HB3 PRO A 63 2.274 10.495 12.800 1.00 62.43 H new ATOM 0 HG2 PRO A 63 2.198 7.918 11.242 1.00 42.04 H new ATOM 0 HG3 PRO A 63 1.335 9.413 10.939 1.00 42.04 H new ATOM 0 HD2 PRO A 63 3.587 8.760 9.553 1.00 22.40 H new ATOM 0 HD3 PRO A 63 3.181 10.428 9.905 1.00 22.40 H new ATOM 1036 N HIS A 64 4.765 7.089 12.469 1.00 2.21 N ATOM 1037 CA HIS A 64 5.206 5.780 12.937 1.00 55.12 C ATOM 1038 C HIS A 64 6.654 5.833 13.416 1.00 31.12 C ATOM 1039 O HIS A 64 7.083 5.002 14.216 1.00 43.44 O ATOM 1040 CB HIS A 64 5.063 4.743 11.823 1.00 44.13 C ATOM 1041 CG HIS A 64 3.642 4.450 11.455 1.00 33.42 C ATOM 1042 ND1 HIS A 64 3.279 3.430 10.601 1.00 1.33 N ATOM 1043 CD2 HIS A 64 2.489 5.050 11.832 1.00 34.34 C ATOM 1044 CE1 HIS A 64 1.965 3.416 10.468 1.00 42.15 C ATOM 1045 NE2 HIS A 64 1.461 4.389 11.204 1.00 23.15 N ATOM 0 H HIS A 64 4.569 7.136 11.469 1.00 2.21 H new ATOM 0 HA HIS A 64 4.575 5.490 13.777 1.00 55.12 H new ATOM 0 HB2 HIS A 64 5.593 5.097 10.939 1.00 44.13 H new ATOM 0 HB3 HIS A 64 5.547 3.818 12.135 1.00 44.13 H new ATOM 0 HD2 HIS A 64 2.394 5.892 12.502 1.00 34.34 H new ATOM 0 HE1 HIS A 64 1.399 2.726 9.860 1.00 42.15 H new ATOM 0 HE2 HIS A 64 0.470 4.614 11.292 1.00 23.15 H new ATOM 1054 N ASN A 65 7.400 6.815 12.923 1.00 71.42 N ATOM 1055 CA ASN A 65 8.800 6.976 13.300 1.00 71.24 C ATOM 1056 C ASN A 65 9.174 8.453 13.385 1.00 25.41 C ATOM 1057 O ASN A 65 9.235 9.147 12.370 1.00 24.32 O ATOM 1058 CB ASN A 65 9.706 6.265 12.293 1.00 52.24 C ATOM 1059 CG ASN A 65 9.560 4.756 12.348 1.00 43.22 C ATOM 1060 OD1 ASN A 65 8.480 4.217 12.109 1.00 30.14 O ATOM 1061 ND2 ASN A 65 10.651 4.068 12.664 1.00 53.41 N ATOM 0 H ASN A 65 7.059 7.512 12.261 1.00 71.42 H new ATOM 0 HA ASN A 65 8.940 6.527 14.283 1.00 71.24 H new ATOM 0 HB2 ASN A 65 9.471 6.614 11.287 1.00 52.24 H new ATOM 0 HB3 ASN A 65 10.744 6.534 12.489 1.00 52.24 H new ATOM 0 HD21 ASN A 65 10.615 3.050 12.716 1.00 53.41 H new ATOM 0 HD22 ASN A 65 11.525 4.558 12.854 1.00 53.41 H new ATOM 1068 N ARG A 66 9.425 8.925 14.601 1.00 73.40 N ATOM 1069 CA ARG A 66 9.793 10.318 14.819 1.00 62.10 C ATOM 1070 C ARG A 66 11.197 10.599 14.291 1.00 30.20 C ATOM 1071 O ARG A 66 11.690 11.724 14.374 1.00 12.34 O ATOM 1072 CB ARG A 66 9.719 10.661 16.308 1.00 22.23 C ATOM 1073 CG ARG A 66 10.571 9.757 17.184 1.00 13.43 C ATOM 1074 CD ARG A 66 10.040 9.699 18.608 1.00 52.32 C ATOM 1075 NE ARG A 66 8.902 8.792 18.732 1.00 44.33 N ATOM 1076 CZ ARG A 66 7.985 8.891 19.688 1.00 60.35 C ATOM 1077 NH1 ARG A 66 8.071 9.851 20.597 1.00 54.40 N ATOM 1078 NH2 ARG A 66 6.979 8.027 19.733 1.00 33.44 N ATOM 0 H ARG A 66 9.380 8.363 15.451 1.00 73.40 H new ATOM 0 HA ARG A 66 9.086 10.943 14.274 1.00 62.10 H new ATOM 0 HB2 ARG A 66 10.036 11.694 16.450 1.00 22.23 H new ATOM 0 HB3 ARG A 66 8.681 10.598 16.636 1.00 22.23 H new ATOM 0 HG2 ARG A 66 10.591 8.753 16.761 1.00 13.43 H new ATOM 0 HG3 ARG A 66 11.599 10.120 17.192 1.00 13.43 H new ATOM 0 HD2 ARG A 66 10.836 9.375 19.279 1.00 52.32 H new ATOM 0 HD3 ARG A 66 9.743 10.699 18.925 1.00 52.32 H new ATOM 0 HE ARG A 66 8.806 8.042 18.047 1.00 44.33 H new ATOM 0 HH11 ARG A 66 8.843 10.517 20.564 1.00 54.40 H new ATOM 0 HH12 ARG A 66 7.365 9.924 21.330 1.00 54.40 H new ATOM 0 HH21 ARG A 66 6.910 7.287 19.034 1.00 33.44 H new ATOM 0 HH22 ARG A 66 6.274 8.102 20.467 1.00 33.44 H new ATOM 1092 N THR A 67 11.836 9.568 13.747 1.00 75.44 N ATOM 1093 CA THR A 67 13.183 9.702 13.207 1.00 73.53 C ATOM 1094 C THR A 67 13.207 9.408 11.711 1.00 32.12 C ATOM 1095 O THR A 67 13.940 10.045 10.954 1.00 4.42 O ATOM 1096 CB THR A 67 14.171 8.760 13.920 1.00 11.00 C ATOM 1097 OG1 THR A 67 15.436 8.780 13.252 1.00 42.34 O ATOM 1098 CG2 THR A 67 13.633 7.337 13.953 1.00 23.02 C ATOM 0 H THR A 67 11.442 8.630 13.669 1.00 75.44 H new ATOM 0 HA THR A 67 13.490 10.734 13.377 1.00 73.53 H new ATOM 0 HB THR A 67 14.296 9.109 14.945 1.00 11.00 H new ATOM 0 HG1 THR A 67 16.059 8.180 13.713 1.00 42.34 H new ATOM 0 HG21 THR A 67 14.348 6.690 14.461 1.00 23.02 H new ATOM 0 HG22 THR A 67 12.683 7.319 14.488 1.00 23.02 H new ATOM 0 HG23 THR A 67 13.482 6.981 12.934 1.00 23.02 H new ATOM 1106 N LEU A 68 12.401 8.439 11.291 1.00 72.03 N ATOM 1107 CA LEU A 68 12.329 8.060 9.883 1.00 10.51 C ATOM 1108 C LEU A 68 11.690 9.168 9.053 1.00 55.33 C ATOM 1109 O LEU A 68 10.528 9.518 9.255 1.00 31.44 O ATOM 1110 CB LEU A 68 11.534 6.764 9.723 1.00 13.32 C ATOM 1111 CG LEU A 68 11.931 5.873 8.546 1.00 4.02 C ATOM 1112 CD1 LEU A 68 11.324 4.487 8.697 1.00 64.03 C ATOM 1113 CD2 LEU A 68 11.503 6.505 7.230 1.00 70.30 C ATOM 0 H LEU A 68 11.788 7.901 11.904 1.00 72.03 H new ATOM 0 HA LEU A 68 13.345 7.902 9.523 1.00 10.51 H new ATOM 0 HB2 LEU A 68 11.634 6.185 10.641 1.00 13.32 H new ATOM 0 HB3 LEU A 68 10.479 7.019 9.620 1.00 13.32 H new ATOM 0 HG LEU A 68 13.016 5.773 8.541 1.00 4.02 H new ATOM 0 HD11 LEU A 68 11.618 3.867 7.850 1.00 64.03 H new ATOM 0 HD12 LEU A 68 11.681 4.032 9.621 1.00 64.03 H new ATOM 0 HD13 LEU A 68 10.237 4.567 8.729 1.00 64.03 H new ATOM 0 HD21 LEU A 68 11.794 5.857 6.403 1.00 70.30 H new ATOM 0 HD22 LEU A 68 10.421 6.637 7.224 1.00 70.30 H new ATOM 0 HD23 LEU A 68 11.987 7.475 7.118 1.00 70.30 H new ATOM 1125 N ASN A 69 12.457 9.717 8.116 1.00 30.42 N ATOM 1126 CA ASN A 69 11.965 10.785 7.254 1.00 72.20 C ATOM 1127 C ASN A 69 12.246 10.472 5.787 1.00 1.01 C ATOM 1128 O ASN A 69 13.063 11.133 5.146 1.00 32.34 O ATOM 1129 CB ASN A 69 12.613 12.117 7.636 1.00 62.31 C ATOM 1130 CG ASN A 69 14.124 12.025 7.707 1.00 45.44 C ATOM 1131 OD1 ASN A 69 14.730 11.110 7.148 1.00 73.20 O ATOM 1132 ND2 ASN A 69 14.743 12.977 8.397 1.00 63.03 N ATOM 0 H ASN A 69 13.422 9.440 7.935 1.00 30.42 H new ATOM 0 HA ASN A 69 10.886 10.861 7.391 1.00 72.20 H new ATOM 0 HB2 ASN A 69 12.332 12.877 6.907 1.00 62.31 H new ATOM 0 HB3 ASN A 69 12.226 12.443 8.601 1.00 62.31 H new ATOM 0 HD21 ASN A 69 15.760 12.968 8.479 1.00 63.03 H new ATOM 0 HD22 ASN A 69 14.202 13.717 8.844 1.00 63.03 H new ATOM 1139 N ASN A 70 11.562 9.461 5.261 1.00 4.12 N ATOM 1140 CA ASN A 70 11.737 9.060 3.871 1.00 44.14 C ATOM 1141 C ASN A 70 10.389 8.826 3.196 1.00 12.44 C ATOM 1142 O ASN A 70 10.299 8.121 2.192 1.00 34.34 O ATOM 1143 CB ASN A 70 12.589 7.792 3.787 1.00 63.31 C ATOM 1144 CG ASN A 70 14.074 8.094 3.727 1.00 15.13 C ATOM 1145 OD1 ASN A 70 14.565 8.659 2.751 1.00 72.35 O ATOM 1146 ND2 ASN A 70 14.796 7.717 4.776 1.00 43.30 N ATOM 0 H ASN A 70 10.881 8.904 5.778 1.00 4.12 H new ATOM 0 HA ASN A 70 12.248 9.869 3.349 1.00 44.14 H new ATOM 0 HB2 ASN A 70 12.384 7.162 4.653 1.00 63.31 H new ATOM 0 HB3 ASN A 70 12.301 7.222 2.903 1.00 63.31 H new ATOM 0 HD21 ASN A 70 15.800 7.893 4.794 1.00 43.30 H new ATOM 0 HD22 ASN A 70 14.346 7.251 5.564 1.00 43.30 H new ATOM 1153 N CYS A 71 9.343 9.424 3.757 1.00 53.12 N ATOM 1154 CA CYS A 71 7.998 9.283 3.212 1.00 20.30 C ATOM 1155 C CYS A 71 7.388 10.648 2.907 1.00 63.12 C ATOM 1156 O CYS A 71 7.920 11.682 3.313 1.00 53.11 O ATOM 1157 CB CYS A 71 7.106 8.521 4.194 1.00 32.52 C ATOM 1158 SG CYS A 71 7.547 8.764 5.944 1.00 52.33 S ATOM 0 H CYS A 71 9.401 10.011 4.589 1.00 53.12 H new ATOM 0 HA CYS A 71 8.067 8.720 2.281 1.00 20.30 H new ATOM 0 HB2 CYS A 71 6.072 8.832 4.045 1.00 32.52 H new ATOM 0 HB3 CYS A 71 7.156 7.457 3.963 1.00 32.52 H new ATOM 1163 N HIS A 72 6.269 10.643 2.189 1.00 34.03 N ATOM 1164 CA HIS A 72 5.586 11.880 1.831 1.00 34.12 C ATOM 1165 C HIS A 72 4.071 11.698 1.877 1.00 4.54 C ATOM 1166 O HIS A 72 3.558 10.619 1.583 1.00 33.43 O ATOM 1167 CB HIS A 72 6.013 12.338 0.435 1.00 23.35 C ATOM 1168 CG HIS A 72 7.458 12.078 0.138 1.00 53.24 C ATOM 1169 ND1 HIS A 72 8.303 13.038 -0.380 1.00 74.41 N ATOM 1170 CD2 HIS A 72 8.207 10.962 0.288 1.00 32.42 C ATOM 1171 CE1 HIS A 72 9.508 12.521 -0.537 1.00 4.10 C ATOM 1172 NE2 HIS A 72 9.477 11.262 -0.137 1.00 42.21 N ATOM 0 H HIS A 72 5.817 9.796 1.844 1.00 34.03 H new ATOM 0 HA HIS A 72 5.865 12.643 2.558 1.00 34.12 H new ATOM 0 HB2 HIS A 72 5.400 11.830 -0.309 1.00 23.35 H new ATOM 0 HB3 HIS A 72 5.816 13.405 0.335 1.00 23.35 H new ATOM 0 HD1 HIS A 72 8.038 13.997 -0.606 1.00 74.41 H new ATOM 0 HD2 HIS A 72 7.868 10.011 0.671 1.00 32.42 H new ATOM 0 HE1 HIS A 72 10.372 13.039 -0.926 1.00 4.10 H new ATOM 1181 N ARG A 73 3.363 12.759 2.250 1.00 62.30 N ATOM 1182 CA ARG A 73 1.909 12.715 2.337 1.00 41.12 C ATOM 1183 C ARG A 73 1.272 13.287 1.073 1.00 31.30 C ATOM 1184 O ARG A 73 1.384 14.480 0.794 1.00 30.22 O ATOM 1185 CB ARG A 73 1.426 13.494 3.561 1.00 51.01 C ATOM 1186 CG ARG A 73 -0.053 13.307 3.858 1.00 43.44 C ATOM 1187 CD ARG A 73 -0.635 14.517 4.572 1.00 52.40 C ATOM 1188 NE ARG A 73 -0.502 15.736 3.779 1.00 14.43 N ATOM 1189 CZ ARG A 73 -1.246 16.820 3.969 1.00 74.12 C ATOM 1190 NH1 ARG A 73 -2.171 16.836 4.919 1.00 11.52 N ATOM 1191 NH2 ARG A 73 -1.067 17.891 3.207 1.00 51.41 N ATOM 0 H ARG A 73 3.773 13.660 2.497 1.00 62.30 H new ATOM 0 HA ARG A 73 1.607 11.672 2.436 1.00 41.12 H new ATOM 0 HB2 ARG A 73 2.005 13.183 4.431 1.00 51.01 H new ATOM 0 HB3 ARG A 73 1.626 14.555 3.408 1.00 51.01 H new ATOM 0 HG2 ARG A 73 -0.594 13.138 2.927 1.00 43.44 H new ATOM 0 HG3 ARG A 73 -0.192 12.418 4.473 1.00 43.44 H new ATOM 0 HD2 ARG A 73 -1.688 14.338 4.788 1.00 52.40 H new ATOM 0 HD3 ARG A 73 -0.131 14.650 5.529 1.00 52.40 H new ATOM 0 HE ARG A 73 0.200 15.756 3.039 1.00 14.43 H new ATOM 0 HH11 ARG A 73 -2.313 16.014 5.507 1.00 11.52 H new ATOM 0 HH12 ARG A 73 -2.741 17.670 5.062 1.00 11.52 H new ATOM 0 HH21 ARG A 73 -0.358 17.883 2.474 1.00 51.41 H new ATOM 0 HH22 ARG A 73 -1.639 18.723 3.354 1.00 51.41 H new ATOM 1205 N SER A 74 0.603 12.426 0.313 1.00 34.24 N ATOM 1206 CA SER A 74 -0.049 12.844 -0.923 1.00 14.14 C ATOM 1207 C SER A 74 -0.681 14.224 -0.764 1.00 64.35 C ATOM 1208 O SER A 74 -1.528 14.436 0.103 1.00 24.32 O ATOM 1209 CB SER A 74 -1.117 11.826 -1.330 1.00 43.33 C ATOM 1210 OG SER A 74 -1.692 12.164 -2.581 1.00 12.23 O ATOM 0 H SER A 74 0.498 11.435 0.531 1.00 34.24 H new ATOM 0 HA SER A 74 0.709 12.898 -1.705 1.00 14.14 H new ATOM 0 HB2 SER A 74 -0.674 10.832 -1.386 1.00 43.33 H new ATOM 0 HB3 SER A 74 -1.895 11.785 -0.568 1.00 43.33 H new ATOM 0 HG SER A 74 -2.543 12.629 -2.435 1.00 12.23 H new ATOM 1216 N ARG A 75 -0.261 15.160 -1.609 1.00 61.22 N ATOM 1217 CA ARG A 75 -0.783 16.520 -1.564 1.00 1.24 C ATOM 1218 C ARG A 75 -2.218 16.570 -2.079 1.00 25.13 C ATOM 1219 O ARG A 75 -3.000 17.435 -1.686 1.00 1.43 O ATOM 1220 CB ARG A 75 0.101 17.456 -2.391 1.00 13.02 C ATOM 1221 CG ARG A 75 0.117 17.124 -3.874 1.00 23.23 C ATOM 1222 CD ARG A 75 1.356 17.684 -4.556 1.00 64.45 C ATOM 1223 NE ARG A 75 1.136 19.034 -5.067 1.00 63.23 N ATOM 1224 CZ ARG A 75 2.107 19.808 -5.541 1.00 30.12 C ATOM 1225 NH1 ARG A 75 3.357 19.367 -5.568 1.00 41.20 N ATOM 1226 NH2 ARG A 75 1.828 21.025 -5.989 1.00 32.23 N ATOM 0 H ARG A 75 0.440 15.001 -2.333 1.00 61.22 H new ATOM 0 HA ARG A 75 -0.777 16.850 -0.525 1.00 1.24 H new ATOM 0 HB2 ARG A 75 -0.247 18.481 -2.260 1.00 13.02 H new ATOM 0 HB3 ARG A 75 1.120 17.414 -2.007 1.00 13.02 H new ATOM 0 HG2 ARG A 75 0.085 16.043 -4.006 1.00 23.23 H new ATOM 0 HG3 ARG A 75 -0.776 17.530 -4.349 1.00 23.23 H new ATOM 0 HD2 ARG A 75 2.185 17.695 -3.849 1.00 64.45 H new ATOM 0 HD3 ARG A 75 1.646 17.028 -5.377 1.00 64.45 H new ATOM 0 HE ARG A 75 0.185 19.403 -5.060 1.00 63.23 H new ATOM 0 HH11 ARG A 75 3.575 18.432 -5.225 1.00 41.20 H new ATOM 0 HH12 ARG A 75 4.100 19.963 -5.932 1.00 41.20 H new ATOM 0 HH21 ARG A 75 0.867 21.368 -5.970 1.00 32.23 H new ATOM 0 HH22 ARG A 75 2.574 21.618 -6.353 1.00 32.23 H new ATOM 1240 N PHE A 76 -2.557 15.635 -2.960 1.00 51.33 N ATOM 1241 CA PHE A 76 -3.898 15.573 -3.530 1.00 63.54 C ATOM 1242 C PHE A 76 -4.732 14.497 -2.842 1.00 51.15 C ATOM 1243 O PHE A 76 -4.202 13.492 -2.370 1.00 61.15 O ATOM 1244 CB PHE A 76 -3.823 15.292 -5.033 1.00 53.31 C ATOM 1245 CG PHE A 76 -3.166 16.392 -5.817 1.00 44.13 C ATOM 1246 CD1 PHE A 76 -3.759 17.640 -5.915 1.00 72.33 C ATOM 1247 CD2 PHE A 76 -1.955 16.178 -6.455 1.00 22.21 C ATOM 1248 CE1 PHE A 76 -3.156 18.654 -6.635 1.00 52.53 C ATOM 1249 CE2 PHE A 76 -1.348 17.189 -7.176 1.00 61.42 C ATOM 1250 CZ PHE A 76 -1.950 18.429 -7.267 1.00 64.52 C ATOM 0 H PHE A 76 -1.922 14.910 -3.295 1.00 51.33 H new ATOM 0 HA PHE A 76 -4.379 16.538 -3.370 1.00 63.54 H new ATOM 0 HB2 PHE A 76 -3.274 14.364 -5.194 1.00 53.31 H new ATOM 0 HB3 PHE A 76 -4.832 15.136 -5.416 1.00 53.31 H new ATOM 0 HD1 PHE A 76 -4.703 17.823 -5.423 1.00 72.33 H new ATOM 0 HD2 PHE A 76 -1.480 15.210 -6.388 1.00 22.21 H new ATOM 0 HE1 PHE A 76 -3.629 19.623 -6.703 1.00 52.53 H new ATOM 0 HE2 PHE A 76 -0.403 17.010 -7.668 1.00 61.42 H new ATOM 0 HZ PHE A 76 -1.478 19.220 -7.831 1.00 64.52 H new ATOM 1260 N ARG A 77 -6.042 14.717 -2.788 1.00 10.51 N ATOM 1261 CA ARG A 77 -6.950 13.770 -2.155 1.00 22.51 C ATOM 1262 C ARG A 77 -7.466 12.752 -3.169 1.00 11.22 C ATOM 1263 O ARG A 77 -7.840 13.108 -4.286 1.00 12.04 O ATOM 1264 CB ARG A 77 -8.127 14.507 -1.514 1.00 11.24 C ATOM 1265 CG ARG A 77 -7.876 14.915 -0.071 1.00 12.20 C ATOM 1266 CD ARG A 77 -9.180 15.132 0.682 1.00 22.22 C ATOM 1267 NE ARG A 77 -9.669 16.501 0.545 1.00 20.33 N ATOM 1268 CZ ARG A 77 -10.495 17.077 1.412 1.00 24.45 C ATOM 1269 NH1 ARG A 77 -10.919 16.405 2.474 1.00 31.31 N ATOM 1270 NH2 ARG A 77 -10.896 18.326 1.219 1.00 60.11 N ATOM 0 H ARG A 77 -6.497 15.543 -3.175 1.00 10.51 H new ATOM 0 HA ARG A 77 -6.398 13.239 -1.380 1.00 22.51 H new ATOM 0 HB2 ARG A 77 -8.350 15.398 -2.101 1.00 11.24 H new ATOM 0 HB3 ARG A 77 -9.010 13.869 -1.554 1.00 11.24 H new ATOM 0 HG2 ARG A 77 -7.290 14.144 0.429 1.00 12.20 H new ATOM 0 HG3 ARG A 77 -7.285 15.830 -0.048 1.00 12.20 H new ATOM 0 HD2 ARG A 77 -9.934 14.439 0.309 1.00 22.22 H new ATOM 0 HD3 ARG A 77 -9.032 14.904 1.737 1.00 22.22 H new ATOM 0 HE ARG A 77 -9.360 17.045 -0.260 1.00 20.33 H new ATOM 0 HH11 ARG A 77 -10.611 15.445 2.626 1.00 31.31 H new ATOM 0 HH12 ARG A 77 -11.553 16.849 3.139 1.00 31.31 H new ATOM 0 HH21 ARG A 77 -10.570 18.846 0.404 1.00 60.11 H new ATOM 0 HH22 ARG A 77 -11.530 18.767 1.885 1.00 60.11 H new ATOM 1284 N VAL A 78 -7.483 11.484 -2.770 1.00 32.41 N ATOM 1285 CA VAL A 78 -7.954 10.414 -3.643 1.00 44.30 C ATOM 1286 C VAL A 78 -8.727 9.363 -2.856 1.00 23.32 C ATOM 1287 O VAL A 78 -8.495 9.147 -1.666 1.00 41.31 O ATOM 1288 CB VAL A 78 -6.783 9.733 -4.377 1.00 61.35 C ATOM 1289 CG1 VAL A 78 -5.741 10.762 -4.791 1.00 20.31 C ATOM 1290 CG2 VAL A 78 -6.162 8.655 -3.503 1.00 21.35 C ATOM 0 H VAL A 78 -7.176 11.172 -1.848 1.00 32.41 H new ATOM 0 HA VAL A 78 -8.616 10.872 -4.378 1.00 44.30 H new ATOM 0 HB VAL A 78 -7.169 9.259 -5.280 1.00 61.35 H new ATOM 0 HG11 VAL A 78 -4.922 10.262 -5.308 1.00 20.31 H new ATOM 0 HG12 VAL A 78 -6.197 11.494 -5.457 1.00 20.31 H new ATOM 0 HG13 VAL A 78 -5.357 11.267 -3.905 1.00 20.31 H new ATOM 0 HG21 VAL A 78 -5.337 8.184 -4.037 1.00 21.35 H new ATOM 0 HG22 VAL A 78 -5.790 9.103 -2.582 1.00 21.35 H new ATOM 0 HG23 VAL A 78 -6.914 7.903 -3.263 1.00 21.35 H new ATOM 1300 N PRO A 79 -9.669 8.691 -3.534 1.00 64.32 N ATOM 1301 CA PRO A 79 -10.495 7.648 -2.918 1.00 35.14 C ATOM 1302 C PRO A 79 -9.696 6.392 -2.590 1.00 43.04 C ATOM 1303 O PRO A 79 -9.211 5.701 -3.487 1.00 34.30 O ATOM 1304 CB PRO A 79 -11.547 7.349 -3.990 1.00 65.14 C ATOM 1305 CG PRO A 79 -10.897 7.732 -5.275 1.00 1.41 C ATOM 1306 CD PRO A 79 -9.999 8.895 -4.954 1.00 61.11 C ATOM 0 HA PRO A 79 -10.916 7.972 -1.966 1.00 35.14 H new ATOM 0 HB2 PRO A 79 -11.828 6.296 -3.987 1.00 65.14 H new ATOM 0 HB3 PRO A 79 -12.459 7.922 -3.821 1.00 65.14 H new ATOM 0 HG2 PRO A 79 -10.326 6.900 -5.687 1.00 1.41 H new ATOM 0 HG3 PRO A 79 -11.641 8.008 -6.022 1.00 1.41 H new ATOM 0 HD2 PRO A 79 -9.105 8.896 -5.578 1.00 61.11 H new ATOM 0 HD3 PRO A 79 -10.503 9.848 -5.116 1.00 61.11 H new ATOM 1314 N LEU A 80 -9.561 6.101 -1.302 1.00 5.44 N ATOM 1315 CA LEU A 80 -8.820 4.927 -0.855 1.00 65.24 C ATOM 1316 C LEU A 80 -9.770 3.817 -0.417 1.00 60.50 C ATOM 1317 O LEU A 80 -10.986 4.011 -0.363 1.00 4.01 O ATOM 1318 CB LEU A 80 -7.884 5.297 0.297 1.00 1.44 C ATOM 1319 CG LEU A 80 -8.540 5.970 1.504 1.00 23.43 C ATOM 1320 CD1 LEU A 80 -9.763 5.185 1.952 1.00 3.13 C ATOM 1321 CD2 LEU A 80 -7.543 6.104 2.645 1.00 4.32 C ATOM 0 H LEU A 80 -9.955 6.662 -0.547 1.00 5.44 H new ATOM 0 HA LEU A 80 -8.227 4.562 -1.694 1.00 65.24 H new ATOM 0 HB2 LEU A 80 -7.384 4.390 0.639 1.00 1.44 H new ATOM 0 HB3 LEU A 80 -7.111 5.961 -0.088 1.00 1.44 H new ATOM 0 HG LEU A 80 -8.862 6.969 1.210 1.00 23.43 H new ATOM 0 HD11 LEU A 80 -10.217 5.678 2.812 1.00 3.13 H new ATOM 0 HD12 LEU A 80 -10.485 5.139 1.137 1.00 3.13 H new ATOM 0 HD13 LEU A 80 -9.465 4.174 2.229 1.00 3.13 H new ATOM 0 HD21 LEU A 80 -8.026 6.585 3.496 1.00 4.32 H new ATOM 0 HD22 LEU A 80 -7.191 5.115 2.939 1.00 4.32 H new ATOM 0 HD23 LEU A 80 -6.696 6.708 2.319 1.00 4.32 H new ATOM 1333 N LEU A 81 -9.209 2.654 -0.103 1.00 40.02 N ATOM 1334 CA LEU A 81 -10.006 1.513 0.334 1.00 55.22 C ATOM 1335 C LEU A 81 -9.437 0.909 1.613 1.00 34.32 C ATOM 1336 O LEU A 81 -8.226 0.733 1.744 1.00 40.03 O ATOM 1337 CB LEU A 81 -10.058 0.451 -0.767 1.00 42.41 C ATOM 1338 CG LEU A 81 -11.323 -0.405 -0.813 1.00 23.30 C ATOM 1339 CD1 LEU A 81 -11.650 -0.951 0.569 1.00 42.24 C ATOM 1340 CD2 LEU A 81 -12.493 0.399 -1.362 1.00 65.21 C ATOM 0 H LEU A 81 -8.205 2.477 -0.143 1.00 40.02 H new ATOM 0 HA LEU A 81 -11.017 1.864 0.539 1.00 55.22 H new ATOM 0 HB2 LEU A 81 -9.945 0.949 -1.730 1.00 42.41 H new ATOM 0 HB3 LEU A 81 -9.200 -0.210 -0.647 1.00 42.41 H new ATOM 0 HG LEU A 81 -11.143 -1.248 -1.480 1.00 23.30 H new ATOM 0 HD11 LEU A 81 -12.554 -1.558 0.516 1.00 42.24 H new ATOM 0 HD12 LEU A 81 -10.821 -1.564 0.923 1.00 42.24 H new ATOM 0 HD13 LEU A 81 -11.809 -0.123 1.259 1.00 42.24 H new ATOM 0 HD21 LEU A 81 -13.385 -0.227 -1.387 1.00 65.21 H new ATOM 0 HD22 LEU A 81 -12.674 1.262 -0.721 1.00 65.21 H new ATOM 0 HD23 LEU A 81 -12.259 0.739 -2.371 1.00 65.21 H new ATOM 1352 N HIS A 82 -10.321 0.590 2.555 1.00 45.21 N ATOM 1353 CA HIS A 82 -9.905 0.002 3.823 1.00 14.04 C ATOM 1354 C HIS A 82 -10.281 -1.475 3.886 1.00 20.32 C ATOM 1355 O HIS A 82 -11.438 -1.842 3.677 1.00 74.24 O ATOM 1356 CB HIS A 82 -10.546 0.753 4.991 1.00 54.53 C ATOM 1357 CG HIS A 82 -9.714 1.889 5.502 1.00 12.14 C ATOM 1358 ND1 HIS A 82 -9.592 2.189 6.842 1.00 3.25 N ATOM 1359 CD2 HIS A 82 -8.958 2.799 4.844 1.00 32.21 C ATOM 1360 CE1 HIS A 82 -8.799 3.235 6.986 1.00 21.35 C ATOM 1361 NE2 HIS A 82 -8.400 3.625 5.789 1.00 30.54 N ATOM 0 H HIS A 82 -11.327 0.729 2.464 1.00 45.21 H new ATOM 0 HA HIS A 82 -8.821 0.086 3.897 1.00 14.04 H new ATOM 0 HB2 HIS A 82 -11.516 1.137 4.676 1.00 54.53 H new ATOM 0 HB3 HIS A 82 -10.729 0.053 5.806 1.00 54.53 H new ATOM 0 HD2 HIS A 82 -8.819 2.864 3.775 1.00 32.21 H new ATOM 0 HE1 HIS A 82 -8.523 3.694 7.924 1.00 21.35 H new ATOM 0 HE2 HIS A 82 -7.779 4.411 5.598 1.00 30.54 H new ATOM 1370 N CYS A 83 -9.297 -2.320 4.174 1.00 51.35 N ATOM 1371 CA CYS A 83 -9.522 -3.757 4.262 1.00 12.53 C ATOM 1372 C CYS A 83 -8.845 -4.339 5.501 1.00 52.35 C ATOM 1373 O CYS A 83 -7.716 -4.822 5.433 1.00 21.02 O ATOM 1374 CB CYS A 83 -8.998 -4.455 3.007 1.00 71.45 C ATOM 1375 SG CYS A 83 -10.131 -4.371 1.582 1.00 10.20 S ATOM 0 H CYS A 83 -8.334 -2.033 4.351 1.00 51.35 H new ATOM 0 HA CYS A 83 -10.596 -3.926 4.342 1.00 12.53 H new ATOM 0 HB2 CYS A 83 -8.045 -4.007 2.726 1.00 71.45 H new ATOM 0 HB3 CYS A 83 -8.802 -5.501 3.241 1.00 71.45 H new ATOM 1380 N ASP A 84 -9.545 -4.287 6.629 1.00 5.32 N ATOM 1381 CA ASP A 84 -9.013 -4.809 7.883 1.00 42.23 C ATOM 1382 C ASP A 84 -9.353 -6.288 8.043 1.00 51.45 C ATOM 1383 O ASP A 84 -10.302 -6.787 7.437 1.00 15.31 O ATOM 1384 CB ASP A 84 -9.566 -4.014 9.067 1.00 64.54 C ATOM 1385 CG ASP A 84 -11.081 -3.974 9.080 1.00 72.43 C ATOM 1386 OD1 ASP A 84 -11.699 -5.007 9.410 1.00 35.35 O ATOM 1387 OD2 ASP A 84 -11.650 -2.910 8.757 1.00 45.15 O ATOM 0 H ASP A 84 -10.481 -3.889 6.701 1.00 5.32 H new ATOM 0 HA ASP A 84 -7.928 -4.704 7.861 1.00 42.23 H new ATOM 0 HB2 ASP A 84 -9.209 -4.457 9.997 1.00 64.54 H new ATOM 0 HB3 ASP A 84 -9.179 -2.996 9.030 1.00 64.54 H new ATOM 1392 N LEU A 85 -8.571 -6.984 8.862 1.00 73.22 N ATOM 1393 CA LEU A 85 -8.789 -8.406 9.101 1.00 22.34 C ATOM 1394 C LEU A 85 -9.973 -8.626 10.037 1.00 61.43 C ATOM 1395 O LEU A 85 -9.936 -8.238 11.204 1.00 44.41 O ATOM 1396 CB LEU A 85 -7.530 -9.041 9.695 1.00 30.32 C ATOM 1397 CG LEU A 85 -7.440 -10.565 9.603 1.00 74.41 C ATOM 1398 CD1 LEU A 85 -7.436 -11.012 8.149 1.00 31.54 C ATOM 1399 CD2 LEU A 85 -6.197 -11.070 10.321 1.00 34.33 C ATOM 0 H LEU A 85 -7.781 -6.587 9.371 1.00 73.22 H new ATOM 0 HA LEU A 85 -9.013 -8.880 8.145 1.00 22.34 H new ATOM 0 HB2 LEU A 85 -6.661 -8.615 9.194 1.00 30.32 H new ATOM 0 HB3 LEU A 85 -7.464 -8.756 10.745 1.00 30.32 H new ATOM 0 HG LEU A 85 -8.316 -10.992 10.091 1.00 74.41 H new ATOM 0 HD11 LEU A 85 -7.371 -12.099 8.103 1.00 31.54 H new ATOM 0 HD12 LEU A 85 -8.355 -10.682 7.664 1.00 31.54 H new ATOM 0 HD13 LEU A 85 -6.579 -10.576 7.637 1.00 31.54 H new ATOM 0 HD21 LEU A 85 -6.149 -12.156 10.245 1.00 34.33 H new ATOM 0 HD22 LEU A 85 -5.309 -10.635 9.862 1.00 34.33 H new ATOM 0 HD23 LEU A 85 -6.241 -10.781 11.371 1.00 34.33 H new ATOM 1411 N ILE A 86 -11.023 -9.252 9.515 1.00 34.34 N ATOM 1412 CA ILE A 86 -12.217 -9.527 10.304 1.00 13.43 C ATOM 1413 C ILE A 86 -11.962 -10.633 11.322 1.00 64.23 C ATOM 1414 O ILE A 86 -12.815 -10.934 12.156 1.00 53.23 O ATOM 1415 CB ILE A 86 -13.403 -9.932 9.410 1.00 40.23 C ATOM 1416 CG1 ILE A 86 -13.827 -8.758 8.525 1.00 35.30 C ATOM 1417 CG2 ILE A 86 -14.570 -10.409 10.261 1.00 21.31 C ATOM 1418 CD1 ILE A 86 -15.040 -9.052 7.671 1.00 52.14 C ATOM 0 H ILE A 86 -11.071 -9.578 8.550 1.00 34.34 H new ATOM 0 HA ILE A 86 -12.466 -8.604 10.828 1.00 13.43 H new ATOM 0 HB ILE A 86 -13.089 -10.754 8.766 1.00 40.23 H new ATOM 0 HG12 ILE A 86 -14.038 -7.895 9.157 1.00 35.30 H new ATOM 0 HG13 ILE A 86 -12.995 -8.483 7.877 1.00 35.30 H new ATOM 0 HG21 ILE A 86 -15.400 -10.692 9.614 1.00 21.31 H new ATOM 0 HG22 ILE A 86 -14.261 -11.271 10.852 1.00 21.31 H new ATOM 0 HG23 ILE A 86 -14.886 -9.607 10.928 1.00 21.31 H new ATOM 0 HD11 ILE A 86 -15.283 -8.176 7.070 1.00 52.14 H new ATOM 0 HD12 ILE A 86 -14.826 -9.895 7.014 1.00 52.14 H new ATOM 0 HD13 ILE A 86 -15.886 -9.298 8.313 1.00 52.14 H new ATOM 1430 N ASN A 87 -10.779 -11.236 11.249 1.00 63.34 N ATOM 1431 CA ASN A 87 -10.410 -12.310 12.164 1.00 42.24 C ATOM 1432 C ASN A 87 -9.082 -12.005 12.851 1.00 60.34 C ATOM 1433 O ASN A 87 -8.023 -12.493 12.453 1.00 2.34 O ATOM 1434 CB ASN A 87 -10.315 -13.639 11.412 1.00 2.35 C ATOM 1435 CG ASN A 87 -9.496 -13.527 10.141 1.00 11.00 C ATOM 1436 OD1 ASN A 87 -8.309 -13.200 10.180 1.00 31.32 O ATOM 1437 ND2 ASN A 87 -10.127 -13.799 9.004 1.00 30.44 N ATOM 0 H ASN A 87 -10.060 -10.999 10.566 1.00 63.34 H new ATOM 0 HA ASN A 87 -11.185 -12.387 12.927 1.00 42.24 H new ATOM 0 HB2 ASN A 87 -9.869 -14.391 12.063 1.00 2.35 H new ATOM 0 HB3 ASN A 87 -11.318 -13.986 11.165 1.00 2.35 H new ATOM 0 HD21 ASN A 87 -9.627 -13.741 8.117 1.00 30.44 H new ATOM 0 HD22 ASN A 87 -11.111 -14.066 9.018 1.00 30.44 H new ATOM 1444 N PRO A 88 -9.137 -11.181 13.907 1.00 33.13 N ATOM 1445 CA PRO A 88 -7.949 -10.794 14.673 1.00 43.35 C ATOM 1446 C PRO A 88 -7.379 -11.952 15.484 1.00 31.31 C ATOM 1447 O PRO A 88 -8.019 -12.449 16.410 1.00 43.52 O ATOM 1448 CB PRO A 88 -8.468 -9.695 15.603 1.00 21.03 C ATOM 1449 CG PRO A 88 -9.924 -9.979 15.749 1.00 64.23 C ATOM 1450 CD PRO A 88 -10.365 -10.563 14.436 1.00 23.11 C ATOM 0 HA PRO A 88 -7.134 -10.473 14.025 1.00 43.35 H new ATOM 0 HB2 PRO A 88 -7.961 -9.720 16.568 1.00 21.03 H new ATOM 0 HB3 PRO A 88 -8.298 -8.705 15.180 1.00 21.03 H new ATOM 0 HG2 PRO A 88 -10.106 -10.676 16.567 1.00 64.23 H new ATOM 0 HG3 PRO A 88 -10.478 -9.069 15.977 1.00 64.23 H new ATOM 0 HD2 PRO A 88 -11.159 -11.298 14.570 1.00 23.11 H new ATOM 0 HD3 PRO A 88 -10.750 -9.796 13.764 1.00 23.11 H new ATOM 1458 N GLY A 89 -6.170 -12.380 15.129 1.00 71.34 N ATOM 1459 CA GLY A 89 -5.535 -13.477 15.834 1.00 73.32 C ATOM 1460 C GLY A 89 -5.546 -14.765 15.034 1.00 45.33 C ATOM 1461 O GLY A 89 -4.995 -15.776 15.466 1.00 25.41 O ATOM 0 H GLY A 89 -5.620 -11.986 14.366 1.00 71.34 H new ATOM 0 HA2 GLY A 89 -4.505 -13.207 16.068 1.00 73.32 H new ATOM 0 HA3 GLY A 89 -6.045 -13.638 16.784 1.00 73.32 H new ATOM 1465 N ALA A 90 -6.173 -14.726 13.863 1.00 30.44 N ATOM 1466 CA ALA A 90 -6.253 -15.899 13.001 1.00 62.25 C ATOM 1467 C ALA A 90 -5.005 -16.027 12.132 1.00 35.42 C ATOM 1468 O ALA A 90 -4.305 -15.045 11.888 1.00 74.14 O ATOM 1469 CB ALA A 90 -7.499 -15.830 12.129 1.00 12.34 C ATOM 0 H ALA A 90 -6.633 -13.896 13.490 1.00 30.44 H new ATOM 0 HA ALA A 90 -6.315 -16.782 13.636 1.00 62.25 H new ATOM 0 HB1 ALA A 90 -7.546 -16.712 11.491 1.00 12.34 H new ATOM 0 HB2 ALA A 90 -8.385 -15.793 12.763 1.00 12.34 H new ATOM 0 HB3 ALA A 90 -7.460 -14.935 11.508 1.00 12.34 H new ATOM 1475 N GLN A 91 -4.733 -17.244 11.671 1.00 12.30 N ATOM 1476 CA GLN A 91 -3.569 -17.499 10.831 1.00 12.44 C ATOM 1477 C GLN A 91 -3.942 -18.361 9.631 1.00 20.44 C ATOM 1478 O GLN A 91 -3.524 -19.514 9.529 1.00 42.04 O ATOM 1479 CB GLN A 91 -2.468 -18.183 11.644 1.00 75.13 C ATOM 1480 CG GLN A 91 -1.079 -18.016 11.048 1.00 21.44 C ATOM 1481 CD GLN A 91 0.022 -18.339 12.039 1.00 0.01 C ATOM 1482 OE1 GLN A 91 0.415 -19.495 12.193 1.00 21.24 O ATOM 1483 NE2 GLN A 91 0.528 -17.314 12.715 1.00 2.44 N ATOM 0 H GLN A 91 -5.302 -18.068 11.865 1.00 12.30 H new ATOM 0 HA GLN A 91 -3.199 -16.541 10.465 1.00 12.44 H new ATOM 0 HB2 GLN A 91 -2.471 -17.779 12.656 1.00 75.13 H new ATOM 0 HB3 GLN A 91 -2.694 -19.246 11.725 1.00 75.13 H new ATOM 0 HG2 GLN A 91 -0.981 -18.664 10.177 1.00 21.44 H new ATOM 0 HG3 GLN A 91 -0.959 -16.991 10.698 1.00 21.44 H new ATOM 0 HE21 GLN A 91 0.172 -16.372 12.555 1.00 2.44 H new ATOM 0 HE22 GLN A 91 1.273 -17.469 13.394 1.00 2.44 H new ATOM 1492 N ASN A 92 -4.733 -17.796 8.724 1.00 1.03 N ATOM 1493 CA ASN A 92 -5.164 -18.515 7.531 1.00 44.00 C ATOM 1494 C ASN A 92 -5.440 -17.548 6.384 1.00 62.15 C ATOM 1495 O ASN A 92 -5.936 -16.441 6.598 1.00 62.12 O ATOM 1496 CB ASN A 92 -6.417 -19.339 7.831 1.00 4.13 C ATOM 1497 CG ASN A 92 -7.563 -18.486 8.339 1.00 42.53 C ATOM 1498 OD1 ASN A 92 -7.349 -17.418 8.913 1.00 41.53 O ATOM 1499 ND2 ASN A 92 -8.787 -18.955 8.130 1.00 54.21 N ATOM 0 H ASN A 92 -5.088 -16.842 8.793 1.00 1.03 H new ATOM 0 HA ASN A 92 -4.360 -19.187 7.231 1.00 44.00 H new ATOM 0 HB2 ASN A 92 -6.730 -19.861 6.927 1.00 4.13 H new ATOM 0 HB3 ASN A 92 -6.178 -20.101 8.573 1.00 4.13 H new ATOM 0 HD21 ASN A 92 -9.598 -18.425 8.450 1.00 54.21 H new ATOM 0 HD22 ASN A 92 -8.917 -19.845 7.650 1.00 54.21 H new ATOM 1506 N ILE A 93 -5.117 -17.973 5.167 1.00 23.33 N ATOM 1507 CA ILE A 93 -5.331 -17.145 3.987 1.00 31.44 C ATOM 1508 C ILE A 93 -6.546 -17.620 3.197 1.00 21.43 C ATOM 1509 O ILE A 93 -7.159 -16.850 2.458 1.00 62.13 O ATOM 1510 CB ILE A 93 -4.099 -17.151 3.064 1.00 43.12 C ATOM 1511 CG1 ILE A 93 -3.498 -18.555 2.988 1.00 65.30 C ATOM 1512 CG2 ILE A 93 -3.064 -16.152 3.557 1.00 43.35 C ATOM 1513 CD1 ILE A 93 -2.397 -18.687 1.958 1.00 70.42 C ATOM 0 H ILE A 93 -4.706 -18.886 4.973 1.00 23.33 H new ATOM 0 HA ILE A 93 -5.504 -16.129 4.341 1.00 31.44 H new ATOM 0 HB ILE A 93 -4.412 -16.856 2.062 1.00 43.12 H new ATOM 0 HG12 ILE A 93 -3.103 -18.826 3.967 1.00 65.30 H new ATOM 0 HG13 ILE A 93 -4.289 -19.268 2.756 1.00 65.30 H new ATOM 0 HG21 ILE A 93 -2.199 -16.168 2.894 1.00 43.35 H new ATOM 0 HG22 ILE A 93 -3.498 -15.152 3.564 1.00 43.35 H new ATOM 0 HG23 ILE A 93 -2.753 -16.419 4.567 1.00 43.35 H new ATOM 0 HD11 ILE A 93 -2.018 -19.709 1.960 1.00 70.42 H new ATOM 0 HD12 ILE A 93 -2.792 -18.448 0.971 1.00 70.42 H new ATOM 0 HD13 ILE A 93 -1.587 -17.999 2.201 1.00 70.42 H new ATOM 1525 N SER A 94 -6.891 -18.894 3.359 1.00 5.33 N ATOM 1526 CA SER A 94 -8.032 -19.472 2.660 1.00 12.01 C ATOM 1527 C SER A 94 -9.341 -18.885 3.177 1.00 13.25 C ATOM 1528 O SER A 94 -10.137 -18.343 2.411 1.00 34.43 O ATOM 1529 CB SER A 94 -8.042 -20.993 2.827 1.00 50.11 C ATOM 1530 OG SER A 94 -6.968 -21.590 2.120 1.00 34.11 O ATOM 0 H SER A 94 -6.396 -19.545 3.969 1.00 5.33 H new ATOM 0 HA SER A 94 -7.938 -19.230 1.601 1.00 12.01 H new ATOM 0 HB2 SER A 94 -7.971 -21.247 3.885 1.00 50.11 H new ATOM 0 HB3 SER A 94 -8.988 -21.396 2.466 1.00 50.11 H new ATOM 0 HG SER A 94 -6.995 -22.562 2.244 1.00 34.11 H new ATOM 1536 N ASN A 95 -9.557 -18.996 4.485 1.00 41.34 N ATOM 1537 CA ASN A 95 -10.770 -18.476 5.106 1.00 40.02 C ATOM 1538 C ASN A 95 -10.494 -17.154 5.816 1.00 24.13 C ATOM 1539 O ASN A 95 -10.987 -16.914 6.919 1.00 25.50 O ATOM 1540 CB ASN A 95 -11.335 -19.493 6.099 1.00 21.22 C ATOM 1541 CG ASN A 95 -11.670 -20.818 5.442 1.00 74.53 C ATOM 1542 OD1 ASN A 95 -11.169 -21.868 5.845 1.00 73.43 O ATOM 1543 ND2 ASN A 95 -12.521 -20.775 4.423 1.00 32.31 N ATOM 0 H ASN A 95 -8.908 -19.441 5.134 1.00 41.34 H new ATOM 0 HA ASN A 95 -11.504 -18.299 4.320 1.00 40.02 H new ATOM 0 HB2 ASN A 95 -10.611 -19.659 6.897 1.00 21.22 H new ATOM 0 HB3 ASN A 95 -12.232 -19.084 6.563 1.00 21.22 H new ATOM 0 HD21 ASN A 95 -12.783 -21.635 3.941 1.00 32.31 H new ATOM 0 HD22 ASN A 95 -12.912 -19.882 4.122 1.00 32.31 H new ATOM 1550 N CYS A 96 -9.704 -16.299 5.177 1.00 51.25 N ATOM 1551 CA CYS A 96 -9.362 -15.001 5.745 1.00 24.21 C ATOM 1552 C CYS A 96 -10.357 -13.933 5.300 1.00 4.35 C ATOM 1553 O CYS A 96 -10.382 -13.541 4.134 1.00 60.10 O ATOM 1554 CB CYS A 96 -7.944 -14.598 5.332 1.00 54.34 C ATOM 1555 SG CYS A 96 -7.067 -13.592 6.572 1.00 52.34 S ATOM 0 H CYS A 96 -9.288 -16.482 4.264 1.00 51.25 H new ATOM 0 HA CYS A 96 -9.407 -15.084 6.831 1.00 24.21 H new ATOM 0 HB2 CYS A 96 -7.364 -15.500 5.135 1.00 54.34 H new ATOM 0 HB3 CYS A 96 -7.994 -14.041 4.397 1.00 54.34 H new ATOM 1560 N ARG A 97 -11.174 -13.466 6.238 1.00 1.14 N ATOM 1561 CA ARG A 97 -12.170 -12.445 5.944 1.00 13.21 C ATOM 1562 C ARG A 97 -11.600 -11.047 6.170 1.00 74.40 C ATOM 1563 O ARG A 97 -10.668 -10.865 6.953 1.00 23.31 O ATOM 1564 CB ARG A 97 -13.412 -12.647 6.815 1.00 72.33 C ATOM 1565 CG ARG A 97 -14.159 -13.938 6.519 1.00 52.40 C ATOM 1566 CD ARG A 97 -15.373 -14.097 7.421 1.00 31.11 C ATOM 1567 NE ARG A 97 -15.905 -15.456 7.386 1.00 33.31 N ATOM 1568 CZ ARG A 97 -16.756 -15.936 8.287 1.00 52.01 C ATOM 1569 NH1 ARG A 97 -17.169 -15.170 9.288 1.00 64.33 N ATOM 1570 NH2 ARG A 97 -17.197 -17.184 8.188 1.00 65.05 N ATOM 0 H ARG A 97 -11.165 -13.779 7.209 1.00 1.14 H new ATOM 0 HA ARG A 97 -12.450 -12.539 4.895 1.00 13.21 H new ATOM 0 HB2 ARG A 97 -13.115 -12.641 7.864 1.00 72.33 H new ATOM 0 HB3 ARG A 97 -14.088 -11.804 6.670 1.00 72.33 H new ATOM 0 HG2 ARG A 97 -14.475 -13.946 5.476 1.00 52.40 H new ATOM 0 HG3 ARG A 97 -13.489 -14.787 6.655 1.00 52.40 H new ATOM 0 HD2 ARG A 97 -15.100 -13.841 8.445 1.00 31.11 H new ATOM 0 HD3 ARG A 97 -16.148 -13.396 7.112 1.00 31.11 H new ATOM 0 HE ARG A 97 -15.607 -16.071 6.629 1.00 33.31 H new ATOM 0 HH11 ARG A 97 -16.833 -14.210 9.368 1.00 64.33 H new ATOM 0 HH12 ARG A 97 -17.822 -15.541 9.978 1.00 64.33 H new ATOM 0 HH21 ARG A 97 -16.883 -17.776 7.419 1.00 65.05 H new ATOM 0 HH22 ARG A 97 -17.850 -17.551 8.880 1.00 65.05 H new ATOM 1584 N TYR A 98 -12.167 -10.064 5.479 1.00 33.02 N ATOM 1585 CA TYR A 98 -11.713 -8.683 5.602 1.00 33.31 C ATOM 1586 C TYR A 98 -12.893 -7.717 5.565 1.00 73.24 C ATOM 1587 O TYR A 98 -13.923 -8.001 4.953 1.00 5.50 O ATOM 1588 CB TYR A 98 -10.728 -8.347 4.481 1.00 62.42 C ATOM 1589 CG TYR A 98 -9.336 -8.888 4.716 1.00 11.20 C ATOM 1590 CD1 TYR A 98 -8.430 -8.205 5.519 1.00 14.25 C ATOM 1591 CD2 TYR A 98 -8.925 -10.080 4.134 1.00 45.30 C ATOM 1592 CE1 TYR A 98 -7.157 -8.694 5.736 1.00 32.41 C ATOM 1593 CE2 TYR A 98 -7.654 -10.578 4.347 1.00 43.03 C ATOM 1594 CZ TYR A 98 -6.773 -9.881 5.148 1.00 33.34 C ATOM 1595 OH TYR A 98 -5.506 -10.373 5.362 1.00 21.41 O ATOM 0 H TYR A 98 -12.941 -10.197 4.828 1.00 33.02 H new ATOM 0 HA TYR A 98 -11.210 -8.576 6.563 1.00 33.31 H new ATOM 0 HB2 TYR A 98 -11.110 -8.746 3.541 1.00 62.42 H new ATOM 0 HB3 TYR A 98 -10.674 -7.264 4.369 1.00 62.42 H new ATOM 0 HD1 TYR A 98 -8.727 -7.275 5.981 1.00 14.25 H new ATOM 0 HD2 TYR A 98 -9.611 -10.627 3.504 1.00 45.30 H new ATOM 0 HE1 TYR A 98 -6.466 -8.150 6.363 1.00 32.41 H new ATOM 0 HE2 TYR A 98 -7.352 -11.508 3.889 1.00 43.03 H new ATOM 0 HH TYR A 98 -5.498 -11.339 5.198 1.00 21.41 H new ATOM 1605 N ALA A 99 -12.735 -6.574 6.223 1.00 5.42 N ATOM 1606 CA ALA A 99 -13.783 -5.564 6.264 1.00 12.12 C ATOM 1607 C ALA A 99 -13.496 -4.432 5.283 1.00 24.24 C ATOM 1608 O ALA A 99 -12.493 -3.729 5.408 1.00 34.23 O ATOM 1609 CB ALA A 99 -13.934 -5.015 7.675 1.00 3.41 C ATOM 0 H ALA A 99 -11.889 -6.325 6.736 1.00 5.42 H new ATOM 0 HA ALA A 99 -14.719 -6.038 5.968 1.00 12.12 H new ATOM 0 HB1 ALA A 99 -14.721 -4.261 7.690 1.00 3.41 H new ATOM 0 HB2 ALA A 99 -14.195 -5.826 8.355 1.00 3.41 H new ATOM 0 HB3 ALA A 99 -12.994 -4.564 7.993 1.00 3.41 H new ATOM 1615 N ASP A 100 -14.381 -4.264 4.306 1.00 45.23 N ATOM 1616 CA ASP A 100 -14.220 -3.217 3.303 1.00 31.32 C ATOM 1617 C ASP A 100 -14.775 -1.890 3.809 1.00 31.14 C ATOM 1618 O ASP A 100 -15.847 -1.844 4.413 1.00 34.31 O ATOM 1619 CB ASP A 100 -14.923 -3.617 2.004 1.00 52.33 C ATOM 1620 CG ASP A 100 -14.951 -5.117 1.798 1.00 64.44 C ATOM 1621 OD1 ASP A 100 -15.383 -5.836 2.723 1.00 3.23 O ATOM 1622 OD2 ASP A 100 -14.541 -5.574 0.710 1.00 20.53 O ATOM 0 H ASP A 100 -15.216 -4.838 4.187 1.00 45.23 H new ATOM 0 HA ASP A 100 -13.155 -3.093 3.108 1.00 31.32 H new ATOM 0 HB2 ASP A 100 -15.944 -3.236 2.015 1.00 52.33 H new ATOM 0 HB3 ASP A 100 -14.417 -3.147 1.161 1.00 52.33 H new ATOM 1627 N ARG A 101 -14.039 -0.813 3.559 1.00 2.13 N ATOM 1628 CA ARG A 101 -14.456 0.516 3.992 1.00 61.42 C ATOM 1629 C ARG A 101 -13.935 1.586 3.038 1.00 52.21 C ATOM 1630 O ARG A 101 -12.753 1.929 3.035 1.00 20.24 O ATOM 1631 CB ARG A 101 -13.954 0.794 5.410 1.00 21.23 C ATOM 1632 CG ARG A 101 -14.936 0.381 6.496 1.00 70.03 C ATOM 1633 CD ARG A 101 -14.222 0.058 7.798 1.00 13.41 C ATOM 1634 NE ARG A 101 -14.081 1.236 8.652 1.00 51.15 N ATOM 1635 CZ ARG A 101 -13.935 1.176 9.970 1.00 31.32 C ATOM 1636 NH1 ARG A 101 -13.911 0.001 10.584 1.00 34.32 N ATOM 1637 NH2 ARG A 101 -13.813 2.291 10.677 1.00 3.35 N ATOM 0 H ARG A 101 -13.150 -0.834 3.059 1.00 2.13 H new ATOM 0 HA ARG A 101 -15.546 0.548 3.987 1.00 61.42 H new ATOM 0 HB2 ARG A 101 -13.013 0.266 5.563 1.00 21.23 H new ATOM 0 HB3 ARG A 101 -13.742 1.859 5.509 1.00 21.23 H new ATOM 0 HG2 ARG A 101 -15.654 1.184 6.663 1.00 70.03 H new ATOM 0 HG3 ARG A 101 -15.502 -0.489 6.164 1.00 70.03 H new ATOM 0 HD2 ARG A 101 -14.775 -0.714 8.333 1.00 13.41 H new ATOM 0 HD3 ARG A 101 -13.236 -0.351 7.579 1.00 13.41 H new ATOM 0 HE ARG A 101 -14.096 2.155 8.210 1.00 51.15 H new ATOM 0 HH11 ARG A 101 -14.005 -0.859 10.043 1.00 34.32 H new ATOM 0 HH12 ARG A 101 -13.799 -0.043 11.597 1.00 34.32 H new ATOM 0 HH21 ARG A 101 -13.831 3.197 10.208 1.00 3.35 H new ATOM 0 HH22 ARG A 101 -13.701 2.243 11.690 1.00 3.35 H new ATOM 1651 N PRO A 102 -14.839 2.128 2.206 1.00 4.43 N ATOM 1652 CA PRO A 102 -14.494 3.168 1.232 1.00 3.41 C ATOM 1653 C PRO A 102 -14.163 4.499 1.898 1.00 71.12 C ATOM 1654 O PRO A 102 -14.699 4.825 2.957 1.00 53.14 O ATOM 1655 CB PRO A 102 -15.762 3.294 0.385 1.00 34.02 C ATOM 1656 CG PRO A 102 -16.862 2.835 1.279 1.00 4.12 C ATOM 1657 CD PRO A 102 -16.264 1.768 2.155 1.00 75.42 C ATOM 0 HA PRO A 102 -13.605 2.910 0.657 1.00 3.41 H new ATOM 0 HB2 PRO A 102 -15.920 4.322 0.059 1.00 34.02 H new ATOM 0 HB3 PRO A 102 -15.700 2.680 -0.514 1.00 34.02 H new ATOM 0 HG2 PRO A 102 -17.249 3.660 1.877 1.00 4.12 H new ATOM 0 HG3 PRO A 102 -17.698 2.442 0.700 1.00 4.12 H new ATOM 0 HD2 PRO A 102 -16.713 1.765 3.148 1.00 75.42 H new ATOM 0 HD3 PRO A 102 -16.412 0.773 1.735 1.00 75.42 H new ATOM 1665 N GLY A 103 -13.275 5.265 1.271 1.00 72.44 N ATOM 1666 CA GLY A 103 -12.889 6.553 1.817 1.00 3.34 C ATOM 1667 C GLY A 103 -12.142 7.409 0.812 1.00 22.43 C ATOM 1668 O GLY A 103 -11.892 6.980 -0.314 1.00 31.44 O ATOM 0 H GLY A 103 -12.816 5.016 0.395 1.00 72.44 H new ATOM 0 HA2 GLY A 103 -13.780 7.084 2.151 1.00 3.34 H new ATOM 0 HA3 GLY A 103 -12.262 6.399 2.695 1.00 3.34 H new ATOM 1672 N ARG A 104 -11.786 8.623 1.221 1.00 75.42 N ATOM 1673 CA ARG A 104 -11.068 9.542 0.346 1.00 21.03 C ATOM 1674 C ARG A 104 -10.170 10.472 1.158 1.00 70.35 C ATOM 1675 O ARG A 104 -10.653 11.369 1.849 1.00 2.40 O ATOM 1676 CB ARG A 104 -12.053 10.363 -0.486 1.00 52.53 C ATOM 1677 CG ARG A 104 -11.439 10.961 -1.741 1.00 54.44 C ATOM 1678 CD ARG A 104 -12.275 12.114 -2.276 1.00 72.35 C ATOM 1679 NE ARG A 104 -11.495 13.008 -3.126 1.00 53.24 N ATOM 1680 CZ ARG A 104 -12.030 13.794 -4.053 1.00 73.04 C ATOM 1681 NH1 ARG A 104 -13.342 13.796 -4.250 1.00 21.14 N ATOM 1682 NH2 ARG A 104 -11.254 14.581 -4.787 1.00 60.31 N ATOM 0 H ARG A 104 -11.983 8.992 2.151 1.00 75.42 H new ATOM 0 HA ARG A 104 -10.442 8.953 -0.325 1.00 21.03 H new ATOM 0 HB2 ARG A 104 -12.893 9.729 -0.769 1.00 52.53 H new ATOM 0 HB3 ARG A 104 -12.454 11.167 0.131 1.00 52.53 H new ATOM 0 HG2 ARG A 104 -10.431 11.312 -1.522 1.00 54.44 H new ATOM 0 HG3 ARG A 104 -11.349 10.190 -2.506 1.00 54.44 H new ATOM 0 HD2 ARG A 104 -13.117 11.718 -2.843 1.00 72.35 H new ATOM 0 HD3 ARG A 104 -12.690 12.679 -1.441 1.00 72.35 H new ATOM 0 HE ARG A 104 -10.483 13.030 -3.001 1.00 53.24 H new ATOM 0 HH11 ARG A 104 -13.943 13.193 -3.689 1.00 21.14 H new ATOM 0 HH12 ARG A 104 -13.750 14.401 -4.963 1.00 21.14 H new ATOM 0 HH21 ARG A 104 -10.245 14.583 -4.640 1.00 60.31 H new ATOM 0 HH22 ARG A 104 -11.667 15.184 -5.499 1.00 60.31 H new ATOM 1696 N ARG A 105 -8.862 10.251 1.067 1.00 52.20 N ATOM 1697 CA ARG A 105 -7.898 11.069 1.792 1.00 22.24 C ATOM 1698 C ARG A 105 -6.489 10.863 1.244 1.00 40.32 C ATOM 1699 O ARG A 105 -6.289 10.127 0.276 1.00 53.53 O ATOM 1700 CB ARG A 105 -7.930 10.729 3.284 1.00 53.01 C ATOM 1701 CG ARG A 105 -9.178 11.226 3.995 1.00 0.51 C ATOM 1702 CD ARG A 105 -8.973 11.292 5.500 1.00 43.32 C ATOM 1703 NE ARG A 105 -9.303 10.029 6.153 1.00 32.02 N ATOM 1704 CZ ARG A 105 -10.534 9.691 6.521 1.00 61.12 C ATOM 1705 NH1 ARG A 105 -11.546 10.518 6.299 1.00 50.23 N ATOM 1706 NH2 ARG A 105 -10.755 8.523 7.110 1.00 11.15 N ATOM 0 H ARG A 105 -8.447 9.513 0.499 1.00 52.20 H new ATOM 0 HA ARG A 105 -8.173 12.115 1.657 1.00 22.24 H new ATOM 0 HB2 ARG A 105 -7.860 9.648 3.403 1.00 53.01 H new ATOM 0 HB3 ARG A 105 -7.052 11.160 3.765 1.00 53.01 H new ATOM 0 HG2 ARG A 105 -9.443 12.214 3.619 1.00 0.51 H new ATOM 0 HG3 ARG A 105 -10.014 10.564 3.769 1.00 0.51 H new ATOM 0 HD2 ARG A 105 -7.936 11.550 5.714 1.00 43.32 H new ATOM 0 HD3 ARG A 105 -9.592 12.087 5.916 1.00 43.32 H new ATOM 0 HE ARG A 105 -8.547 9.370 6.337 1.00 32.02 H new ATOM 0 HH11 ARG A 105 -11.380 11.416 5.845 1.00 50.23 H new ATOM 0 HH12 ARG A 105 -12.490 10.256 6.582 1.00 50.23 H new ATOM 0 HH21 ARG A 105 -9.979 7.883 7.281 1.00 11.15 H new ATOM 0 HH22 ARG A 105 -11.701 8.265 7.392 1.00 11.15 H new ATOM 1720 N PHE A 106 -5.516 11.518 1.867 1.00 41.24 N ATOM 1721 CA PHE A 106 -4.125 11.410 1.439 1.00 30.55 C ATOM 1722 C PHE A 106 -3.542 10.054 1.827 1.00 21.21 C ATOM 1723 O PHE A 106 -4.248 9.186 2.341 1.00 41.10 O ATOM 1724 CB PHE A 106 -3.290 12.532 2.058 1.00 54.10 C ATOM 1725 CG PHE A 106 -3.996 13.858 2.087 1.00 2.31 C ATOM 1726 CD1 PHE A 106 -4.383 14.478 0.910 1.00 22.52 C ATOM 1727 CD2 PHE A 106 -4.270 14.486 3.291 1.00 30.15 C ATOM 1728 CE1 PHE A 106 -5.032 15.697 0.933 1.00 52.21 C ATOM 1729 CE2 PHE A 106 -4.920 15.705 3.321 1.00 33.40 C ATOM 1730 CZ PHE A 106 -5.300 16.312 2.140 1.00 73.41 C ATOM 0 H PHE A 106 -5.664 12.129 2.670 1.00 41.24 H new ATOM 0 HA PHE A 106 -4.096 11.502 0.353 1.00 30.55 H new ATOM 0 HB2 PHE A 106 -3.017 12.252 3.076 1.00 54.10 H new ATOM 0 HB3 PHE A 106 -2.362 12.636 1.496 1.00 54.10 H new ATOM 0 HD1 PHE A 106 -4.175 14.002 -0.037 1.00 22.52 H new ATOM 0 HD2 PHE A 106 -3.972 14.017 4.217 1.00 30.15 H new ATOM 0 HE1 PHE A 106 -5.330 16.169 0.008 1.00 52.21 H new ATOM 0 HE2 PHE A 106 -5.131 16.182 4.267 1.00 33.40 H new ATOM 0 HZ PHE A 106 -5.806 17.266 2.160 1.00 73.41 H new ATOM 1740 N TYR A 107 -2.249 9.879 1.577 1.00 34.31 N ATOM 1741 CA TYR A 107 -1.571 8.629 1.896 1.00 44.34 C ATOM 1742 C TYR A 107 -0.074 8.854 2.087 1.00 74.14 C ATOM 1743 O TYR A 107 0.573 9.522 1.279 1.00 2.34 O ATOM 1744 CB TYR A 107 -1.806 7.599 0.789 1.00 14.12 C ATOM 1745 CG TYR A 107 -1.496 8.119 -0.596 1.00 74.31 C ATOM 1746 CD1 TYR A 107 -0.184 8.273 -1.025 1.00 24.44 C ATOM 1747 CD2 TYR A 107 -2.516 8.457 -1.477 1.00 54.35 C ATOM 1748 CE1 TYR A 107 0.104 8.747 -2.290 1.00 71.13 C ATOM 1749 CE2 TYR A 107 -2.238 8.932 -2.744 1.00 33.04 C ATOM 1750 CZ TYR A 107 -0.926 9.076 -3.146 1.00 22.32 C ATOM 1751 OH TYR A 107 -0.644 9.549 -4.406 1.00 55.14 O ATOM 0 H TYR A 107 -1.650 10.588 1.154 1.00 34.31 H new ATOM 0 HA TYR A 107 -1.985 8.249 2.830 1.00 44.34 H new ATOM 0 HB2 TYR A 107 -1.191 6.721 0.985 1.00 14.12 H new ATOM 0 HB3 TYR A 107 -2.846 7.273 0.822 1.00 14.12 H new ATOM 0 HD1 TYR A 107 0.626 8.018 -0.357 1.00 24.44 H new ATOM 0 HD2 TYR A 107 -3.544 8.346 -1.166 1.00 54.35 H new ATOM 0 HE1 TYR A 107 1.130 8.859 -2.607 1.00 71.13 H new ATOM 0 HE2 TYR A 107 -3.043 9.189 -3.416 1.00 33.04 H new ATOM 0 HH TYR A 107 -1.481 9.732 -4.882 1.00 55.14 H new ATOM 1761 N VAL A 108 0.471 8.291 3.161 1.00 74.25 N ATOM 1762 CA VAL A 108 1.891 8.428 3.458 1.00 2.52 C ATOM 1763 C VAL A 108 2.660 7.176 3.053 1.00 4.54 C ATOM 1764 O VAL A 108 2.600 6.151 3.732 1.00 13.04 O ATOM 1765 CB VAL A 108 2.127 8.701 4.956 1.00 50.11 C ATOM 1766 CG1 VAL A 108 3.608 8.902 5.235 1.00 64.10 C ATOM 1767 CG2 VAL A 108 1.322 9.909 5.410 1.00 13.21 C ATOM 0 H VAL A 108 -0.050 7.736 3.840 1.00 74.25 H new ATOM 0 HA VAL A 108 2.255 9.277 2.880 1.00 2.52 H new ATOM 0 HB VAL A 108 1.789 7.834 5.523 1.00 50.11 H new ATOM 0 HG11 VAL A 108 3.755 9.094 6.298 1.00 64.10 H new ATOM 0 HG12 VAL A 108 4.157 8.005 4.948 1.00 64.10 H new ATOM 0 HG13 VAL A 108 3.975 9.752 4.659 1.00 64.10 H new ATOM 0 HG21 VAL A 108 1.500 10.088 6.470 1.00 13.21 H new ATOM 0 HG22 VAL A 108 1.627 10.785 4.838 1.00 13.21 H new ATOM 0 HG23 VAL A 108 0.261 9.721 5.247 1.00 13.21 H new ATOM 1777 N VAL A 109 3.386 7.267 1.943 1.00 22.33 N ATOM 1778 CA VAL A 109 4.170 6.142 1.448 1.00 35.31 C ATOM 1779 C VAL A 109 5.661 6.454 1.479 1.00 1.23 C ATOM 1780 O VAL A 109 6.088 7.534 1.071 1.00 41.02 O ATOM 1781 CB VAL A 109 3.766 5.765 0.010 1.00 14.43 C ATOM 1782 CG1 VAL A 109 2.302 6.098 -0.237 1.00 62.33 C ATOM 1783 CG2 VAL A 109 4.659 6.474 -0.996 1.00 41.53 C ATOM 0 H VAL A 109 3.447 8.108 1.370 1.00 22.33 H new ATOM 0 HA VAL A 109 3.964 5.300 2.108 1.00 35.31 H new ATOM 0 HB VAL A 109 3.896 4.690 -0.117 1.00 14.43 H new ATOM 0 HG11 VAL A 109 2.034 5.825 -1.258 1.00 62.33 H new ATOM 0 HG12 VAL A 109 1.679 5.541 0.463 1.00 62.33 H new ATOM 0 HG13 VAL A 109 2.143 7.167 -0.093 1.00 62.33 H new ATOM 0 HG21 VAL A 109 4.360 6.197 -2.007 1.00 41.53 H new ATOM 0 HG22 VAL A 109 4.562 7.553 -0.872 1.00 41.53 H new ATOM 0 HG23 VAL A 109 5.696 6.182 -0.831 1.00 41.53 H new ATOM 1793 N ALA A 110 6.450 5.503 1.968 1.00 73.43 N ATOM 1794 CA ALA A 110 7.894 5.676 2.050 1.00 64.01 C ATOM 1795 C ALA A 110 8.565 5.332 0.724 1.00 2.25 C ATOM 1796 O ALA A 110 8.641 4.164 0.339 1.00 54.44 O ATOM 1797 CB ALA A 110 8.466 4.818 3.170 1.00 74.21 C ATOM 0 H ALA A 110 6.113 4.605 2.313 1.00 73.43 H new ATOM 0 HA ALA A 110 8.097 6.724 2.269 1.00 64.01 H new ATOM 0 HB1 ALA A 110 9.546 4.957 3.220 1.00 74.21 H new ATOM 0 HB2 ALA A 110 8.018 5.113 4.119 1.00 74.21 H new ATOM 0 HB3 ALA A 110 8.244 3.769 2.974 1.00 74.21 H new ATOM 1803 N CYS A 111 9.051 6.355 0.030 1.00 15.10 N ATOM 1804 CA CYS A 111 9.715 6.164 -1.254 1.00 21.34 C ATOM 1805 C CYS A 111 11.212 5.944 -1.064 1.00 41.32 C ATOM 1806 O CYS A 111 11.878 6.706 -0.361 1.00 21.41 O ATOM 1807 CB CYS A 111 9.476 7.371 -2.161 1.00 55.52 C ATOM 1808 SG CYS A 111 7.984 7.240 -3.198 1.00 31.14 S ATOM 0 H CYS A 111 8.997 7.327 0.336 1.00 15.10 H new ATOM 0 HA CYS A 111 9.292 5.277 -1.725 1.00 21.34 H new ATOM 0 HB2 CYS A 111 9.399 8.266 -1.544 1.00 55.52 H new ATOM 0 HB3 CYS A 111 10.344 7.504 -2.807 1.00 55.52 H new ATOM 1813 N ASP A 112 11.736 4.899 -1.695 1.00 51.40 N ATOM 1814 CA ASP A 112 13.156 4.580 -1.598 1.00 23.53 C ATOM 1815 C ASP A 112 13.728 4.223 -2.966 1.00 1.34 C ATOM 1816 O ASP A 112 13.094 3.517 -3.750 1.00 44.20 O ATOM 1817 CB ASP A 112 13.375 3.422 -0.622 1.00 74.22 C ATOM 1818 CG ASP A 112 13.570 3.896 0.804 1.00 11.41 C ATOM 1819 OD1 ASP A 112 14.087 5.018 0.991 1.00 32.43 O ATOM 1820 OD2 ASP A 112 13.206 3.146 1.734 1.00 2.34 O ATOM 0 H ASP A 112 11.199 4.258 -2.279 1.00 51.40 H new ATOM 0 HA ASP A 112 13.676 5.462 -1.226 1.00 23.53 H new ATOM 0 HB2 ASP A 112 12.519 2.748 -0.664 1.00 74.22 H new ATOM 0 HB3 ASP A 112 14.248 2.848 -0.934 1.00 74.22 H new ATOM 1825 N ASN A 113 14.930 4.716 -3.246 1.00 72.32 N ATOM 1826 CA ASN A 113 15.587 4.450 -4.521 1.00 2.04 C ATOM 1827 C ASN A 113 15.667 2.950 -4.789 1.00 75.22 C ATOM 1828 O ASN A 113 16.477 2.245 -4.190 1.00 65.42 O ATOM 1829 CB ASN A 113 16.991 5.057 -4.531 1.00 63.02 C ATOM 1830 CG ASN A 113 17.792 4.681 -3.299 1.00 15.22 C ATOM 1831 OD1 ASN A 113 17.691 5.332 -2.259 1.00 4.34 O ATOM 1832 ND2 ASN A 113 18.592 3.629 -3.412 1.00 25.20 N ATOM 0 H ASN A 113 15.469 5.301 -2.608 1.00 72.32 H new ATOM 0 HA ASN A 113 14.994 4.911 -5.311 1.00 2.04 H new ATOM 0 HB2 ASN A 113 17.522 4.723 -5.422 1.00 63.02 H new ATOM 0 HB3 ASN A 113 16.914 6.142 -4.594 1.00 63.02 H new ATOM 0 HD21 ASN A 113 19.156 3.329 -2.617 1.00 25.20 H new ATOM 0 HD22 ASN A 113 18.643 3.120 -4.294 1.00 25.20 H new ATOM 1839 N ARG A 114 14.820 2.472 -5.695 1.00 23.14 N ATOM 1840 CA ARG A 114 14.794 1.056 -6.043 1.00 64.21 C ATOM 1841 C ARG A 114 15.712 0.770 -7.229 1.00 1.52 C ATOM 1842 O ARG A 114 16.298 1.685 -7.807 1.00 54.31 O ATOM 1843 CB ARG A 114 13.367 0.615 -6.372 1.00 12.23 C ATOM 1844 CG ARG A 114 12.607 0.067 -5.175 1.00 64.44 C ATOM 1845 CD ARG A 114 13.174 -1.270 -4.721 1.00 54.02 C ATOM 1846 NE ARG A 114 12.836 -1.563 -3.331 1.00 10.23 N ATOM 1847 CZ ARG A 114 13.543 -1.127 -2.295 1.00 30.45 C ATOM 1848 NH1 ARG A 114 14.622 -0.381 -2.491 1.00 12.33 N ATOM 1849 NH2 ARG A 114 13.172 -1.436 -1.059 1.00 72.42 N ATOM 0 H ARG A 114 14.143 3.044 -6.201 1.00 23.14 H new ATOM 0 HA ARG A 114 15.152 0.490 -5.183 1.00 64.21 H new ATOM 0 HB2 ARG A 114 12.819 1.463 -6.782 1.00 12.23 H new ATOM 0 HB3 ARG A 114 13.402 -0.148 -7.150 1.00 12.23 H new ATOM 0 HG2 ARG A 114 12.655 0.782 -4.354 1.00 64.44 H new ATOM 0 HG3 ARG A 114 11.555 -0.051 -5.434 1.00 64.44 H new ATOM 0 HD2 ARG A 114 12.790 -2.063 -5.363 1.00 54.02 H new ATOM 0 HD3 ARG A 114 14.258 -1.263 -4.837 1.00 54.02 H new ATOM 0 HE ARG A 114 12.011 -2.134 -3.146 1.00 10.23 H new ATOM 0 HH11 ARG A 114 14.911 -0.141 -3.439 1.00 12.33 H new ATOM 0 HH12 ARG A 114 15.163 -0.047 -1.693 1.00 12.33 H new ATOM 0 HH21 ARG A 114 12.343 -2.009 -0.904 1.00 72.42 H new ATOM 0 HH22 ARG A 114 13.716 -1.100 -0.264 1.00 72.42 H new ATOM 1863 N ASP A 115 15.832 -0.505 -7.583 1.00 53.35 N ATOM 1864 CA ASP A 115 16.677 -0.910 -8.701 1.00 2.44 C ATOM 1865 C ASP A 115 16.182 -0.298 -10.007 1.00 4.30 C ATOM 1866 O ASP A 115 14.982 -0.167 -10.244 1.00 74.21 O ATOM 1867 CB ASP A 115 16.707 -2.435 -8.817 1.00 22.02 C ATOM 1868 CG ASP A 115 18.058 -2.955 -9.269 1.00 53.01 C ATOM 1869 OD1 ASP A 115 19.083 -2.494 -8.725 1.00 20.04 O ATOM 1870 OD2 ASP A 115 18.090 -3.821 -10.168 1.00 21.20 O ATOM 0 H ASP A 115 15.356 -1.275 -7.113 1.00 53.35 H new ATOM 0 HA ASP A 115 17.687 -0.547 -8.511 1.00 2.44 H new ATOM 0 HB2 ASP A 115 16.456 -2.875 -7.852 1.00 22.02 H new ATOM 0 HB3 ASP A 115 15.942 -2.758 -9.523 1.00 22.02 H new ATOM 1875 N PRO A 116 17.130 0.087 -10.876 1.00 13.30 N ATOM 1876 CA PRO A 116 16.815 0.693 -12.173 1.00 52.12 C ATOM 1877 C PRO A 116 16.193 -0.305 -13.143 1.00 34.34 C ATOM 1878 O PRO A 116 15.931 0.020 -14.301 1.00 65.33 O ATOM 1879 CB PRO A 116 18.179 1.159 -12.688 1.00 13.32 C ATOM 1880 CG PRO A 116 19.163 0.270 -12.010 1.00 53.32 C ATOM 1881 CD PRO A 116 18.581 -0.039 -10.659 1.00 14.02 C ATOM 0 HA PRO A 116 16.082 1.495 -12.081 1.00 52.12 H new ATOM 0 HB2 PRO A 116 18.245 1.068 -13.772 1.00 13.32 H new ATOM 0 HB3 PRO A 116 18.358 2.206 -12.444 1.00 13.32 H new ATOM 0 HG2 PRO A 116 19.324 -0.643 -12.583 1.00 53.32 H new ATOM 0 HG3 PRO A 116 20.131 0.761 -11.914 1.00 53.32 H new ATOM 0 HD2 PRO A 116 18.852 -1.040 -10.324 1.00 14.02 H new ATOM 0 HD3 PRO A 116 18.936 0.658 -9.900 1.00 14.02 H new ATOM 1889 N ARG A 117 15.957 -1.523 -12.663 1.00 13.32 N ATOM 1890 CA ARG A 117 15.365 -2.568 -13.488 1.00 64.13 C ATOM 1891 C ARG A 117 13.852 -2.621 -13.298 1.00 64.30 C ATOM 1892 O ARG A 117 13.115 -3.007 -14.207 1.00 5.53 O ATOM 1893 CB ARG A 117 15.981 -3.927 -13.146 1.00 1.51 C ATOM 1894 CG ARG A 117 15.480 -4.509 -11.836 1.00 34.55 C ATOM 1895 CD ARG A 117 15.468 -6.030 -11.869 1.00 44.05 C ATOM 1896 NE ARG A 117 15.623 -6.609 -10.538 1.00 11.11 N ATOM 1897 CZ ARG A 117 15.547 -7.912 -10.289 1.00 52.04 C ATOM 1898 NH1 ARG A 117 15.319 -8.766 -11.278 1.00 42.50 N ATOM 1899 NH2 ARG A 117 15.699 -8.362 -9.050 1.00 71.35 N ATOM 0 H ARG A 117 16.167 -1.809 -11.707 1.00 13.32 H new ATOM 0 HA ARG A 117 15.574 -2.334 -14.532 1.00 64.13 H new ATOM 0 HB2 ARG A 117 15.764 -4.628 -13.952 1.00 1.51 H new ATOM 0 HB3 ARG A 117 17.065 -3.823 -13.097 1.00 1.51 H new ATOM 0 HG2 ARG A 117 16.115 -4.167 -11.019 1.00 34.55 H new ATOM 0 HG3 ARG A 117 14.474 -4.141 -11.634 1.00 34.55 H new ATOM 0 HD2 ARG A 117 14.532 -6.375 -12.307 1.00 44.05 H new ATOM 0 HD3 ARG A 117 16.272 -6.385 -12.514 1.00 44.05 H new ATOM 0 HE ARG A 117 15.799 -5.978 -9.756 1.00 11.11 H new ATOM 0 HH11 ARG A 117 15.202 -8.423 -12.231 1.00 42.50 H new ATOM 0 HH12 ARG A 117 15.261 -9.766 -11.085 1.00 42.50 H new ATOM 0 HH21 ARG A 117 15.874 -7.707 -8.288 1.00 71.35 H new ATOM 0 HH22 ARG A 117 15.640 -9.362 -8.860 1.00 71.35 H new ATOM 1913 N ASP A 118 13.397 -2.232 -12.113 1.00 33.32 N ATOM 1914 CA ASP A 118 11.972 -2.235 -11.804 1.00 12.44 C ATOM 1915 C ASP A 118 11.393 -0.827 -11.897 1.00 53.34 C ATOM 1916 O ASP A 118 10.218 -0.649 -12.219 1.00 52.45 O ATOM 1917 CB ASP A 118 11.732 -2.805 -10.404 1.00 44.42 C ATOM 1918 CG ASP A 118 11.578 -4.313 -10.413 1.00 24.03 C ATOM 1919 OD1 ASP A 118 12.610 -5.015 -10.382 1.00 52.01 O ATOM 1920 OD2 ASP A 118 10.424 -4.792 -10.449 1.00 44.54 O ATOM 0 H ASP A 118 13.994 -1.911 -11.351 1.00 33.32 H new ATOM 0 HA ASP A 118 11.469 -2.866 -12.537 1.00 12.44 H new ATOM 0 HB2 ASP A 118 12.564 -2.531 -9.756 1.00 44.42 H new ATOM 0 HB3 ASP A 118 10.835 -2.353 -9.980 1.00 44.42 H new ATOM 1925 N SER A 119 12.225 0.170 -11.614 1.00 61.01 N ATOM 1926 CA SER A 119 11.794 1.562 -11.663 1.00 42.20 C ATOM 1927 C SER A 119 12.683 2.374 -12.600 1.00 75.31 C ATOM 1928 O SER A 119 13.442 3.246 -12.178 1.00 45.01 O ATOM 1929 CB SER A 119 11.819 2.175 -10.261 1.00 60.32 C ATOM 1930 OG SER A 119 10.852 3.203 -10.136 1.00 62.04 O ATOM 0 H SER A 119 13.201 0.040 -11.348 1.00 61.01 H new ATOM 0 HA SER A 119 10.774 1.587 -12.046 1.00 42.20 H new ATOM 0 HB2 SER A 119 11.628 1.400 -9.519 1.00 60.32 H new ATOM 0 HB3 SER A 119 12.811 2.577 -10.054 1.00 60.32 H new ATOM 0 HG SER A 119 11.304 4.064 -10.015 1.00 62.04 H new ATOM 1936 N PRO A 120 12.587 2.081 -13.906 1.00 33.40 N ATOM 1937 CA PRO A 120 13.374 2.771 -14.932 1.00 54.20 C ATOM 1938 C PRO A 120 12.933 4.219 -15.124 1.00 10.43 C ATOM 1939 O PRO A 120 13.754 5.137 -15.096 1.00 30.24 O ATOM 1940 CB PRO A 120 13.098 1.957 -16.199 1.00 2.45 C ATOM 1941 CG PRO A 120 11.772 1.321 -15.959 1.00 50.54 C ATOM 1942 CD PRO A 120 11.702 1.054 -14.481 1.00 61.12 C ATOM 0 HA PRO A 120 14.430 2.827 -14.666 1.00 54.20 H new ATOM 0 HB2 PRO A 120 13.077 2.595 -17.083 1.00 2.45 H new ATOM 0 HB3 PRO A 120 13.872 1.208 -16.365 1.00 2.45 H new ATOM 0 HG2 PRO A 120 10.961 1.977 -16.276 1.00 50.54 H new ATOM 0 HG3 PRO A 120 11.674 0.396 -16.528 1.00 50.54 H new ATOM 0 HD2 PRO A 120 10.683 1.145 -14.104 1.00 61.12 H new ATOM 0 HD3 PRO A 120 12.043 0.048 -14.238 1.00 61.12 H new ATOM 1950 N ARG A 121 11.633 4.416 -15.318 1.00 2.21 N ATOM 1951 CA ARG A 121 11.084 5.752 -15.516 1.00 1.51 C ATOM 1952 C ARG A 121 11.172 6.571 -14.231 1.00 45.43 C ATOM 1953 O ARG A 121 11.546 7.744 -14.254 1.00 42.43 O ATOM 1954 CB ARG A 121 9.629 5.666 -15.979 1.00 10.21 C ATOM 1955 CG ARG A 121 8.705 5.014 -14.964 1.00 70.35 C ATOM 1956 CD ARG A 121 7.553 4.290 -15.645 1.00 43.24 C ATOM 1957 NE ARG A 121 7.094 3.142 -14.869 1.00 34.32 N ATOM 1958 CZ ARG A 121 6.065 2.379 -15.224 1.00 12.34 C ATOM 1959 NH1 ARG A 121 5.392 2.643 -16.336 1.00 42.12 N ATOM 1960 NH2 ARG A 121 5.707 1.351 -14.466 1.00 44.40 N ATOM 0 H ARG A 121 10.941 3.667 -15.342 1.00 2.21 H new ATOM 0 HA ARG A 121 11.674 6.249 -16.286 1.00 1.51 H new ATOM 0 HB2 ARG A 121 9.266 6.670 -16.196 1.00 10.21 H new ATOM 0 HB3 ARG A 121 9.586 5.103 -16.911 1.00 10.21 H new ATOM 0 HG2 ARG A 121 9.271 4.309 -14.355 1.00 70.35 H new ATOM 0 HG3 ARG A 121 8.311 5.773 -14.288 1.00 70.35 H new ATOM 0 HD2 ARG A 121 6.725 4.983 -15.791 1.00 43.24 H new ATOM 0 HD3 ARG A 121 7.868 3.957 -16.634 1.00 43.24 H new ATOM 0 HE ARG A 121 7.590 2.913 -14.008 1.00 34.32 H new ATOM 0 HH11 ARG A 121 5.664 3.433 -16.921 1.00 42.12 H new ATOM 0 HH12 ARG A 121 4.603 2.056 -16.606 1.00 42.12 H new ATOM 0 HH21 ARG A 121 6.221 1.145 -13.610 1.00 44.40 H new ATOM 0 HH22 ARG A 121 4.917 0.766 -14.739 1.00 44.40 H new ATOM 1974 N TYR A 122 10.826 5.946 -13.111 1.00 74.42 N ATOM 1975 CA TYR A 122 10.862 6.617 -11.818 1.00 63.22 C ATOM 1976 C TYR A 122 12.084 6.183 -11.014 1.00 4.32 C ATOM 1977 O TYR A 122 12.394 4.997 -10.896 1.00 55.42 O ATOM 1978 CB TYR A 122 9.586 6.319 -11.028 1.00 64.14 C ATOM 1979 CG TYR A 122 8.338 6.294 -11.882 1.00 2.35 C ATOM 1980 CD1 TYR A 122 7.815 7.464 -12.417 1.00 64.11 C ATOM 1981 CD2 TYR A 122 7.683 5.099 -12.153 1.00 64.34 C ATOM 1982 CE1 TYR A 122 6.675 7.446 -13.197 1.00 3.45 C ATOM 1983 CE2 TYR A 122 6.543 5.071 -12.933 1.00 20.21 C ATOM 1984 CZ TYR A 122 6.043 6.247 -13.452 1.00 55.13 C ATOM 1985 OH TYR A 122 4.908 6.224 -14.229 1.00 14.41 O ATOM 0 H TYR A 122 10.517 4.975 -13.073 1.00 74.42 H new ATOM 0 HA TYR A 122 10.928 7.690 -11.996 1.00 63.22 H new ATOM 0 HB2 TYR A 122 9.694 5.356 -10.529 1.00 64.14 H new ATOM 0 HB3 TYR A 122 9.468 7.071 -10.248 1.00 64.14 H new ATOM 0 HD1 TYR A 122 8.308 8.404 -12.220 1.00 64.11 H new ATOM 0 HD2 TYR A 122 8.071 4.177 -11.747 1.00 64.34 H new ATOM 0 HE1 TYR A 122 6.281 8.365 -13.605 1.00 3.45 H new ATOM 0 HE2 TYR A 122 6.046 4.134 -13.135 1.00 20.21 H new ATOM 0 HH TYR A 122 4.587 5.302 -14.313 1.00 14.41 H new ATOM 1995 N PRO A 123 12.797 7.167 -10.446 1.00 0.44 N ATOM 1996 CA PRO A 123 13.996 6.913 -9.641 1.00 12.41 C ATOM 1997 C PRO A 123 13.670 6.247 -8.309 1.00 53.30 C ATOM 1998 O PRO A 123 14.280 5.243 -7.939 1.00 75.14 O ATOM 1999 CB PRO A 123 14.571 8.313 -9.411 1.00 42.14 C ATOM 2000 CG PRO A 123 13.402 9.228 -9.526 1.00 73.03 C ATOM 2001 CD PRO A 123 12.486 8.603 -10.543 1.00 52.04 C ATOM 0 HA PRO A 123 14.684 6.230 -10.139 1.00 12.41 H new ATOM 0 HB2 PRO A 123 15.040 8.392 -8.430 1.00 42.14 H new ATOM 0 HB3 PRO A 123 15.335 8.553 -10.150 1.00 42.14 H new ATOM 0 HG2 PRO A 123 12.899 9.342 -8.566 1.00 73.03 H new ATOM 0 HG3 PRO A 123 13.715 10.223 -9.842 1.00 73.03 H new ATOM 0 HD2 PRO A 123 11.439 8.803 -10.317 1.00 52.04 H new ATOM 0 HD3 PRO A 123 12.675 8.988 -11.545 1.00 52.04 H new ATOM 2009 N VAL A 124 12.704 6.811 -7.590 1.00 60.21 N ATOM 2010 CA VAL A 124 12.295 6.270 -6.299 1.00 64.23 C ATOM 2011 C VAL A 124 10.889 5.683 -6.369 1.00 44.34 C ATOM 2012 O VAL A 124 10.090 6.061 -7.225 1.00 70.42 O ATOM 2013 CB VAL A 124 12.336 7.349 -5.201 1.00 31.22 C ATOM 2014 CG1 VAL A 124 10.997 8.066 -5.107 1.00 20.01 C ATOM 2015 CG2 VAL A 124 12.714 6.732 -3.863 1.00 62.00 C ATOM 0 H VAL A 124 12.190 7.643 -7.880 1.00 60.21 H new ATOM 0 HA VAL A 124 13.002 5.480 -6.048 1.00 64.23 H new ATOM 0 HB VAL A 124 13.097 8.083 -5.465 1.00 31.22 H new ATOM 0 HG11 VAL A 124 11.045 8.825 -4.326 1.00 20.01 H new ATOM 0 HG12 VAL A 124 10.771 8.541 -6.062 1.00 20.01 H new ATOM 0 HG13 VAL A 124 10.215 7.346 -4.866 1.00 20.01 H new ATOM 0 HG21 VAL A 124 12.738 7.508 -3.098 1.00 62.00 H new ATOM 0 HG22 VAL A 124 11.977 5.976 -3.590 1.00 62.00 H new ATOM 0 HG23 VAL A 124 13.697 6.269 -3.941 1.00 62.00 H new ATOM 2025 N VAL A 125 10.596 4.758 -5.463 1.00 31.34 N ATOM 2026 CA VAL A 125 9.286 4.119 -5.419 1.00 72.21 C ATOM 2027 C VAL A 125 8.882 3.787 -3.987 1.00 4.21 C ATOM 2028 O VAL A 125 9.721 3.630 -3.100 1.00 64.10 O ATOM 2029 CB VAL A 125 9.263 2.827 -6.259 1.00 53.23 C ATOM 2030 CG1 VAL A 125 9.168 3.156 -7.741 1.00 61.21 C ATOM 2031 CG2 VAL A 125 10.493 1.983 -5.969 1.00 25.43 C ATOM 0 H VAL A 125 11.248 4.433 -4.749 1.00 31.34 H new ATOM 0 HA VAL A 125 8.574 4.830 -5.838 1.00 72.21 H new ATOM 0 HB VAL A 125 8.381 2.249 -5.983 1.00 53.23 H new ATOM 0 HG11 VAL A 125 9.153 2.232 -8.319 1.00 61.21 H new ATOM 0 HG12 VAL A 125 8.253 3.718 -7.931 1.00 61.21 H new ATOM 0 HG13 VAL A 125 10.030 3.755 -8.037 1.00 61.21 H new ATOM 0 HG21 VAL A 125 10.461 1.074 -6.570 1.00 25.43 H new ATOM 0 HG22 VAL A 125 11.390 2.550 -6.216 1.00 25.43 H new ATOM 0 HG23 VAL A 125 10.511 1.718 -4.912 1.00 25.43 H new ATOM 2041 N PRO A 126 7.567 3.678 -3.752 1.00 74.23 N ATOM 2042 CA PRO A 126 7.021 3.363 -2.429 1.00 2.51 C ATOM 2043 C PRO A 126 7.315 1.927 -2.008 1.00 12.14 C ATOM 2044 O PRO A 126 7.176 0.996 -2.801 1.00 62.13 O ATOM 2045 CB PRO A 126 5.514 3.570 -2.607 1.00 44.33 C ATOM 2046 CG PRO A 126 5.273 3.360 -4.062 1.00 3.12 C ATOM 2047 CD PRO A 126 6.509 3.853 -4.763 1.00 33.13 C ATOM 0 HA PRO A 126 7.461 3.984 -1.649 1.00 2.51 H new ATOM 0 HB2 PRO A 126 4.943 2.863 -2.005 1.00 44.33 H new ATOM 0 HB3 PRO A 126 5.212 4.570 -2.296 1.00 44.33 H new ATOM 0 HG2 PRO A 126 5.095 2.307 -4.280 1.00 3.12 H new ATOM 0 HG3 PRO A 126 4.391 3.908 -4.394 1.00 3.12 H new ATOM 0 HD2 PRO A 126 6.716 3.277 -5.665 1.00 33.13 H new ATOM 0 HD3 PRO A 126 6.411 4.896 -5.066 1.00 33.13 H new ATOM 2055 N VAL A 127 7.721 1.754 -0.753 1.00 54.22 N ATOM 2056 CA VAL A 127 8.033 0.432 -0.226 1.00 62.45 C ATOM 2057 C VAL A 127 7.376 0.212 1.133 1.00 61.24 C ATOM 2058 O VAL A 127 7.580 -0.819 1.774 1.00 51.14 O ATOM 2059 CB VAL A 127 9.553 0.226 -0.088 1.00 70.34 C ATOM 2060 CG1 VAL A 127 10.223 0.257 -1.454 1.00 74.01 C ATOM 2061 CG2 VAL A 127 10.151 1.280 0.831 1.00 21.13 C ATOM 0 H VAL A 127 7.841 2.514 -0.083 1.00 54.22 H new ATOM 0 HA VAL A 127 7.639 -0.293 -0.939 1.00 62.45 H new ATOM 0 HB VAL A 127 9.731 -0.754 0.355 1.00 70.34 H new ATOM 0 HG11 VAL A 127 11.297 0.110 -1.336 1.00 74.01 H new ATOM 0 HG12 VAL A 127 9.814 -0.538 -2.078 1.00 74.01 H new ATOM 0 HG13 VAL A 127 10.039 1.221 -1.928 1.00 74.01 H new ATOM 0 HG21 VAL A 127 11.226 1.120 0.918 1.00 21.13 H new ATOM 0 HG22 VAL A 127 9.964 2.271 0.418 1.00 21.13 H new ATOM 0 HG23 VAL A 127 9.693 1.205 1.817 1.00 21.13 H new ATOM 2071 N HIS A 128 6.587 1.189 1.566 1.00 13.12 N ATOM 2072 CA HIS A 128 5.898 1.103 2.849 1.00 52.23 C ATOM 2073 C HIS A 128 4.782 2.140 2.938 1.00 42.13 C ATOM 2074 O HIS A 128 4.882 3.226 2.366 1.00 4.33 O ATOM 2075 CB HIS A 128 6.888 1.304 3.998 1.00 60.42 C ATOM 2076 CG HIS A 128 6.244 1.762 5.269 1.00 50.43 C ATOM 2077 ND1 HIS A 128 6.302 1.044 6.445 1.00 73.23 N ATOM 2078 CD2 HIS A 128 5.529 2.878 5.547 1.00 34.14 C ATOM 2079 CE1 HIS A 128 5.647 1.695 7.389 1.00 50.20 C ATOM 2080 NE2 HIS A 128 5.169 2.812 6.871 1.00 72.11 N ATOM 0 H HIS A 128 6.408 2.049 1.048 1.00 13.12 H new ATOM 0 HA HIS A 128 5.455 0.110 2.929 1.00 52.23 H new ATOM 0 HB2 HIS A 128 7.412 0.367 4.183 1.00 60.42 H new ATOM 0 HB3 HIS A 128 7.638 2.035 3.697 1.00 60.42 H new ATOM 0 HD1 HIS A 128 6.777 0.150 6.567 1.00 73.23 H new ATOM 0 HD2 HIS A 128 5.287 3.672 4.856 1.00 34.14 H new ATOM 0 HE1 HIS A 128 5.523 1.369 8.411 1.00 50.20 H new ATOM 2089 N LEU A 129 3.718 1.797 3.656 1.00 44.21 N ATOM 2090 CA LEU A 129 2.583 2.698 3.819 1.00 35.43 C ATOM 2091 C LEU A 129 2.309 2.967 5.295 1.00 41.45 C ATOM 2092 O LEU A 129 1.879 2.078 6.029 1.00 0.15 O ATOM 2093 CB LEU A 129 1.337 2.104 3.158 1.00 50.33 C ATOM 2094 CG LEU A 129 0.331 3.111 2.599 1.00 33.45 C ATOM 2095 CD1 LEU A 129 -0.503 3.711 3.722 1.00 61.43 C ATOM 2096 CD2 LEU A 129 1.045 4.204 1.819 1.00 24.13 C ATOM 0 H LEU A 129 3.618 0.902 4.134 1.00 44.21 H new ATOM 0 HA LEU A 129 2.829 3.644 3.336 1.00 35.43 H new ATOM 0 HB2 LEU A 129 1.657 1.451 2.346 1.00 50.33 H new ATOM 0 HB3 LEU A 129 0.826 1.477 3.889 1.00 50.33 H new ATOM 0 HG LEU A 129 -0.338 2.586 1.917 1.00 33.45 H new ATOM 0 HD11 LEU A 129 -1.213 4.425 3.306 1.00 61.43 H new ATOM 0 HD12 LEU A 129 -1.045 2.918 4.236 1.00 61.43 H new ATOM 0 HD13 LEU A 129 0.152 4.220 4.429 1.00 61.43 H new ATOM 0 HD21 LEU A 129 0.312 4.911 1.429 1.00 24.13 H new ATOM 0 HD22 LEU A 129 1.739 4.727 2.477 1.00 24.13 H new ATOM 0 HD23 LEU A 129 1.596 3.759 0.991 1.00 24.13 H new ATOM 2108 N ASP A 130 2.558 4.201 5.722 1.00 65.32 N ATOM 2109 CA ASP A 130 2.337 4.589 7.110 1.00 33.13 C ATOM 2110 C ASP A 130 0.845 4.636 7.429 1.00 71.35 C ATOM 2111 O ASP A 130 0.366 3.934 8.319 1.00 1.53 O ATOM 2112 CB ASP A 130 2.974 5.951 7.389 1.00 33.41 C ATOM 2113 CG ASP A 130 3.439 6.089 8.825 1.00 22.44 C ATOM 2114 OD1 ASP A 130 2.606 6.435 9.689 1.00 71.13 O ATOM 2115 OD2 ASP A 130 4.636 5.848 9.086 1.00 42.52 O ATOM 0 H ASP A 130 2.913 4.949 5.126 1.00 65.32 H new ATOM 0 HA ASP A 130 2.804 3.841 7.750 1.00 33.13 H new ATOM 0 HB2 ASP A 130 3.822 6.096 6.720 1.00 33.41 H new ATOM 0 HB3 ASP A 130 2.254 6.738 7.166 1.00 33.41 H new ATOM 2120 N THR A 131 0.115 5.470 6.695 1.00 53.34 N ATOM 2121 CA THR A 131 -1.322 5.612 6.901 1.00 42.12 C ATOM 2122 C THR A 131 -1.952 6.468 5.809 1.00 44.24 C ATOM 2123 O THR A 131 -1.272 6.907 4.879 1.00 73.41 O ATOM 2124 CB THR A 131 -1.633 6.238 8.273 1.00 54.22 C ATOM 2125 OG1 THR A 131 -3.040 6.173 8.532 1.00 41.23 O ATOM 2126 CG2 THR A 131 -1.169 7.686 8.325 1.00 22.21 C ATOM 0 H THR A 131 0.495 6.057 5.953 1.00 53.34 H new ATOM 0 HA THR A 131 -1.748 4.609 6.863 1.00 42.12 H new ATOM 0 HB THR A 131 -1.096 5.674 9.036 1.00 54.22 H new ATOM 0 HG1 THR A 131 -3.230 6.571 9.407 1.00 41.23 H new ATOM 0 HG21 THR A 131 -1.399 8.107 9.304 1.00 22.21 H new ATOM 0 HG22 THR A 131 -0.093 7.730 8.155 1.00 22.21 H new ATOM 0 HG23 THR A 131 -1.682 8.260 7.553 1.00 22.21 H new ATOM 2134 N THR A 132 -3.254 6.706 5.926 1.00 20.33 N ATOM 2135 CA THR A 132 -3.976 7.511 4.949 1.00 65.43 C ATOM 2136 C THR A 132 -4.732 8.648 5.624 1.00 52.10 C ATOM 2137 O THR A 132 -5.664 8.416 6.395 1.00 20.23 O ATOM 2138 CB THR A 132 -4.971 6.655 4.142 1.00 33.12 C ATOM 2139 OG1 THR A 132 -5.595 5.691 4.999 1.00 51.15 O ATOM 2140 CG2 THR A 132 -4.270 5.944 2.996 1.00 43.31 C ATOM 0 H THR A 132 -3.831 6.352 6.689 1.00 20.33 H new ATOM 0 HA THR A 132 -3.232 7.927 4.270 1.00 65.43 H new ATOM 0 HB THR A 132 -5.731 7.317 3.726 1.00 33.12 H new ATOM 0 HG1 THR A 132 -5.920 6.136 5.809 1.00 51.15 H new ATOM 0 HG21 THR A 132 -4.994 5.346 2.442 1.00 43.31 H new ATOM 0 HG22 THR A 132 -3.822 6.681 2.330 1.00 43.31 H new ATOM 0 HG23 THR A 132 -3.491 5.294 3.394 1.00 43.31 H new ATOM 2148 N ILE A 133 -4.327 9.879 5.329 1.00 1.53 N ATOM 2149 CA ILE A 133 -4.967 11.053 5.908 1.00 13.31 C ATOM 2150 C ILE A 133 -5.232 12.115 4.845 1.00 12.02 C ATOM 2151 O ILE A 133 -5.857 13.139 5.118 1.00 42.52 O ATOM 2152 CB ILE A 133 -4.110 11.668 7.029 1.00 12.15 C ATOM 2153 CG1 ILE A 133 -3.596 10.574 7.967 1.00 72.41 C ATOM 2154 CG2 ILE A 133 -4.913 12.702 7.804 1.00 10.11 C ATOM 2155 CD1 ILE A 133 -2.313 10.940 8.679 1.00 40.41 C ATOM 0 H ILE A 133 -3.558 10.089 4.692 1.00 1.53 H new ATOM 0 HA ILE A 133 -5.915 10.719 6.330 1.00 13.31 H new ATOM 0 HB ILE A 133 -3.252 12.166 6.577 1.00 12.15 H new ATOM 0 HG12 ILE A 133 -4.363 10.353 8.709 1.00 72.41 H new ATOM 0 HG13 ILE A 133 -3.436 9.661 7.393 1.00 72.41 H new ATOM 0 HG21 ILE A 133 -4.293 13.127 8.593 1.00 10.11 H new ATOM 0 HG22 ILE A 133 -5.234 13.494 7.128 1.00 10.11 H new ATOM 0 HG23 ILE A 133 -5.788 12.226 8.247 1.00 10.11 H new ATOM 0 HD11 ILE A 133 -2.009 10.118 9.326 1.00 40.41 H new ATOM 0 HD12 ILE A 133 -1.531 11.132 7.944 1.00 40.41 H new ATOM 0 HD13 ILE A 133 -2.473 11.835 9.280 1.00 40.41 H new