USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 901 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 28 HIS : no HD1:sc= -5.99! C(o=-6.7!,f=-4.5!) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.702 K(o=-6.7,f=-4.5) USER MOD Set 2.1: A 45 SER OG : rot 28:sc= 0.0485 USER MOD Set 2.2: A 56 HIS : no HE2:sc= -3.84 K(o=-3.8,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0642 (180deg=0) USER MOD Single : A 4 MET CE :methyl 162:sc= -2.11 (180deg=-3.53!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0335 (180deg=-0.289) USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= -3.47! (180deg=-4.36!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -13:sc= 0.24 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= -1.42 (180deg=-3.92!) USER MOD Single : A 26 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.8!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.107 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -70:sc= -2.64! USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= 0.88 (180deg=-0.522!) USER MOD Single : A 52 ASN : amide:sc=-0.00259 X(o=-0.0026,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= -7.54! C(o=-7.5!,f=-5.5!) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00144 (180deg=-0.0915) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= -10.2! (180deg=-13.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= 0.00655 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -5.28! C(o=-5.3!,f=-16!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.124 USER MOD Single : A 78 ASN : amide:sc= -4.37! C(o=-4.4!,f=-13!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-13!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -143:sc= 0.269! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -170:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0538 K(o=-0.054,f=-0.58) USER MOD Single : A 94 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.276 K(o=-0.28,f=-3.3!) USER MOD Single : A 106 GLN : amide:sc= -2.8! K(o=-2.8!,f=-1.1) USER MOD Single : A 108 THR OG1 : rot 86:sc= 0.792 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.686 K(o=-0.69,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.788 5.125 12.332 1.00 0.00 N ATOM 2 CA GLY A 1 23.779 6.583 12.329 1.00 0.00 C ATOM 3 C GLY A 1 24.326 7.156 11.017 1.00 0.00 C ATOM 4 O GLY A 1 24.994 6.461 10.261 1.00 0.00 O ATOM 0 H1 GLY A 1 22.812 4.772 12.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.217 4.779 11.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.341 4.783 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.761 6.940 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.377 6.951 13.163 1.00 0.00 H new ATOM 10 N ILE A 2 24.014 8.449 10.775 1.00 0.00 N ATOM 11 CA ILE A 2 23.206 9.251 11.683 1.00 0.00 C ATOM 12 C ILE A 2 21.740 9.215 11.240 1.00 0.00 C ATOM 13 O ILE A 2 21.052 10.226 11.176 1.00 0.00 O ATOM 14 CB ILE A 2 23.727 10.688 11.693 1.00 0.00 C ATOM 15 CG1 ILE A 2 25.238 10.706 11.917 1.00 0.00 C ATOM 16 CG2 ILE A 2 23.028 11.505 12.782 1.00 0.00 C ATOM 17 CD1 ILE A 2 26.032 10.669 10.609 1.00 0.00 C ATOM 0 H ILE A 2 24.321 8.953 9.943 1.00 0.00 H new ATOM 0 HA ILE A 2 23.274 8.844 12.692 1.00 0.00 H new ATOM 0 HB ILE A 2 23.509 11.137 10.724 1.00 0.00 H new ATOM 0 HG12 ILE A 2 25.507 11.603 12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 2 25.520 9.851 12.532 1.00 0.00 H new ATOM 0 HG21 ILE A 2 23.412 12.525 12.774 1.00 0.00 H new ATOM 0 HG22 ILE A 2 21.955 11.520 12.593 1.00 0.00 H new ATOM 0 HG23 ILE A 2 23.219 11.053 13.755 1.00 0.00 H new ATOM 0 HD11 ILE A 2 27.099 10.684 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 2 25.788 9.759 10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 2 25.775 11.538 10.003 1.00 0.00 H new ATOM 29 N GLU A 3 21.321 7.976 10.933 1.00 0.00 N ATOM 30 CA GLU A 3 19.946 7.794 10.509 1.00 0.00 C ATOM 31 C GLU A 3 19.009 8.029 11.695 1.00 0.00 C ATOM 32 O GLU A 3 19.058 7.337 12.704 1.00 0.00 O ATOM 33 CB GLU A 3 19.759 6.380 9.957 1.00 0.00 C ATOM 34 CG GLU A 3 20.692 6.101 8.778 1.00 0.00 C ATOM 35 CD GLU A 3 20.408 7.090 7.646 1.00 0.00 C ATOM 36 OE1 GLU A 3 19.251 7.472 7.477 1.00 0.00 O ATOM 37 OE2 GLU A 3 21.347 7.472 6.950 1.00 0.00 O ATOM 0 H GLU A 3 21.891 7.131 10.970 1.00 0.00 H new ATOM 0 HA GLU A 3 19.709 8.511 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.946 5.654 10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.724 6.247 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.731 6.187 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.551 5.080 8.425 1.00 0.00 H new ATOM 44 N MET A 4 18.160 9.054 11.500 1.00 0.00 N ATOM 45 CA MET A 4 17.238 9.386 12.569 1.00 0.00 C ATOM 46 C MET A 4 15.816 8.988 12.170 1.00 0.00 C ATOM 47 O MET A 4 15.239 9.508 11.223 1.00 0.00 O ATOM 48 CB MET A 4 17.305 10.885 12.861 1.00 0.00 C ATOM 49 CG MET A 4 16.375 11.283 14.008 1.00 0.00 C ATOM 50 SD MET A 4 16.813 10.419 15.525 1.00 0.00 S ATOM 51 CE MET A 4 18.602 10.440 15.323 1.00 0.00 C ATOM 0 H MET A 4 18.101 9.629 10.660 1.00 0.00 H new ATOM 0 HA MET A 4 17.517 8.838 13.469 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.329 11.161 13.111 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.035 11.442 11.964 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.431 12.360 14.169 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.343 11.054 13.740 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.079 10.246 16.284 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.897 9.670 14.610 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.915 11.416 14.953 1.00 0.00 H new ATOM 61 N LYS A 5 15.298 8.034 12.963 1.00 0.00 N ATOM 62 CA LYS A 5 13.947 7.574 12.700 1.00 0.00 C ATOM 63 C LYS A 5 13.879 6.972 11.290 1.00 0.00 C ATOM 64 O LYS A 5 14.387 7.538 10.330 1.00 0.00 O ATOM 65 CB LYS A 5 12.980 8.753 12.814 1.00 0.00 C ATOM 66 CG LYS A 5 11.529 8.332 12.585 1.00 0.00 C ATOM 67 CD LYS A 5 10.571 9.520 12.680 1.00 0.00 C ATOM 68 CE LYS A 5 9.118 9.104 12.446 1.00 0.00 C ATOM 69 NZ LYS A 5 8.198 10.231 12.533 1.00 0.00 N ATOM 0 H LYS A 5 15.774 7.593 13.750 1.00 0.00 H new ATOM 0 HA LYS A 5 13.668 6.811 13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.074 9.204 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.254 9.517 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.436 7.868 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.248 7.579 13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.662 9.982 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.855 10.274 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.029 8.641 11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.836 8.350 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.226 9.899 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.262 10.659 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.449 10.940 11.815 1.00 0.00 H new ATOM 83 N PRO A 6 13.226 5.788 11.208 1.00 0.00 N ATOM 84 CA PRO A 6 13.072 5.073 9.948 1.00 0.00 C ATOM 85 C PRO A 6 12.037 5.791 9.063 1.00 0.00 C ATOM 86 O PRO A 6 12.209 6.950 8.704 1.00 0.00 O ATOM 87 CB PRO A 6 12.619 3.675 10.390 1.00 0.00 C ATOM 88 CG PRO A 6 11.908 3.901 11.726 1.00 0.00 C ATOM 89 CD PRO A 6 12.627 5.103 12.345 1.00 0.00 C ATOM 0 HA PRO A 6 13.976 5.025 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.950 3.225 9.656 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.468 3.001 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.847 4.105 11.581 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.980 3.022 12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.932 5.751 12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.384 4.787 13.063 1.00 0.00 H new ATOM 97 N HIS A 7 10.962 5.050 8.740 1.00 0.00 N ATOM 98 CA HIS A 7 9.917 5.658 7.938 1.00 0.00 C ATOM 99 C HIS A 7 8.675 4.758 7.955 1.00 0.00 C ATOM 100 O HIS A 7 8.768 3.540 7.845 1.00 0.00 O ATOM 101 CB HIS A 7 10.413 5.864 6.504 1.00 0.00 C ATOM 102 CG HIS A 7 10.709 4.529 5.858 1.00 0.00 C ATOM 103 ND1 HIS A 7 11.098 3.427 6.535 1.00 0.00 N ATOM 104 CD2 HIS A 7 10.635 4.206 4.493 1.00 0.00 C ATOM 105 CE1 HIS A 7 11.256 2.465 5.610 1.00 0.00 C ATOM 106 NE2 HIS A 7 10.984 2.905 4.367 1.00 0.00 N ATOM 0 H HIS A 7 10.808 4.079 9.011 1.00 0.00 H new ATOM 0 HA HIS A 7 9.655 6.631 8.354 1.00 0.00 H new ATOM 0 HB2 HIS A 7 9.660 6.398 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.311 6.482 6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.352 4.873 3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.565 1.456 5.837 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.032 2.365 3.503 1.00 0.00 H new ATOM 114 N PRO A 8 7.504 5.415 8.114 1.00 0.00 N ATOM 115 CA PRO A 8 6.232 4.721 8.218 1.00 0.00 C ATOM 116 C PRO A 8 5.777 4.175 6.854 1.00 0.00 C ATOM 117 O PRO A 8 6.377 3.257 6.308 1.00 0.00 O ATOM 118 CB PRO A 8 5.288 5.782 8.793 1.00 0.00 C ATOM 119 CG PRO A 8 5.886 7.122 8.359 1.00 0.00 C ATOM 120 CD PRO A 8 7.389 6.863 8.240 1.00 0.00 C ATOM 0 HA PRO A 8 6.272 3.835 8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.275 5.659 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.228 5.710 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.466 7.453 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.676 7.903 9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.811 7.371 7.373 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.925 7.228 9.116 1.00 0.00 H new ATOM 128 N TRP A 9 4.665 4.754 6.359 1.00 0.00 N ATOM 129 CA TRP A 9 4.009 4.109 5.229 1.00 0.00 C ATOM 130 C TRP A 9 3.808 5.080 4.053 1.00 0.00 C ATOM 131 O TRP A 9 3.777 4.677 2.896 1.00 0.00 O ATOM 132 CB TRP A 9 2.630 3.561 5.641 1.00 0.00 C ATOM 133 CG TRP A 9 2.723 2.698 6.882 1.00 0.00 C ATOM 134 CD1 TRP A 9 3.326 1.440 6.978 1.00 0.00 C ATOM 135 CD2 TRP A 9 2.226 3.026 8.193 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.234 0.980 8.254 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.572 1.901 9.054 1.00 0.00 C ATOM 138 CE3 TRP A 9 1.536 4.143 8.724 1.00 0.00 C ATOM 139 CZ2 TRP A 9 2.222 1.916 10.425 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.176 4.165 10.121 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.521 3.050 10.971 1.00 0.00 C ATOM 0 H TRP A 9 4.232 5.611 6.703 1.00 0.00 H new ATOM 0 HA TRP A 9 4.662 3.295 4.913 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.948 4.391 5.824 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.210 2.978 4.822 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.795 0.913 6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.600 0.085 8.578 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.280 4.976 8.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.479 1.081 11.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.649 5.014 10.530 1.00 0.00 H new ATOM 0 HH2 TRP A 9 1.253 3.066 12.017 1.00 0.00 H new ATOM 152 N PHE A 10 3.650 6.369 4.412 1.00 0.00 N ATOM 153 CA PHE A 10 3.272 7.332 3.393 1.00 0.00 C ATOM 154 C PHE A 10 4.398 7.530 2.375 1.00 0.00 C ATOM 155 O PHE A 10 5.480 8.013 2.687 1.00 0.00 O ATOM 156 CB PHE A 10 2.923 8.669 4.051 1.00 0.00 C ATOM 157 CG PHE A 10 1.808 8.518 5.043 1.00 0.00 C ATOM 158 CD1 PHE A 10 0.437 8.510 4.600 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.100 8.380 6.447 1.00 0.00 C ATOM 160 CE1 PHE A 10 -0.633 8.366 5.551 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.032 8.235 7.401 1.00 0.00 C ATOM 162 CZ PHE A 10 -0.335 8.227 6.952 1.00 0.00 C ATOM 0 H PHE A 10 3.773 6.742 5.353 1.00 0.00 H new ATOM 0 HA PHE A 10 2.401 6.946 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.804 9.071 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.635 9.389 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.211 8.613 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.126 8.385 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.659 8.362 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.256 8.132 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.137 8.117 7.666 1.00 0.00 H new ATOM 172 N PHE A 11 4.047 7.152 1.132 1.00 0.00 N ATOM 173 CA PHE A 11 4.937 7.459 0.027 1.00 0.00 C ATOM 174 C PHE A 11 4.161 8.258 -1.019 1.00 0.00 C ATOM 175 O PHE A 11 3.473 7.709 -1.873 1.00 0.00 O ATOM 176 CB PHE A 11 5.473 6.166 -0.594 1.00 0.00 C ATOM 177 CG PHE A 11 6.355 5.429 0.370 1.00 0.00 C ATOM 178 CD1 PHE A 11 7.745 5.789 0.496 1.00 0.00 C ATOM 179 CD2 PHE A 11 5.825 4.363 1.179 1.00 0.00 C ATOM 180 CE1 PHE A 11 8.597 5.090 1.421 1.00 0.00 C ATOM 181 CE2 PHE A 11 6.673 3.661 2.105 1.00 0.00 C ATOM 182 CZ PHE A 11 8.060 4.025 2.226 1.00 0.00 C ATOM 0 H PHE A 11 3.190 6.656 0.886 1.00 0.00 H new ATOM 0 HA PHE A 11 5.783 8.044 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.640 5.528 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.033 6.399 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.149 6.588 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.784 4.088 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.638 5.364 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.269 2.862 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.698 3.499 2.921 1.00 0.00 H new ATOM 192 N GLY A 12 4.309 9.588 -0.907 1.00 0.00 N ATOM 193 CA GLY A 12 3.580 10.366 -1.886 1.00 0.00 C ATOM 194 C GLY A 12 4.242 11.700 -2.167 1.00 0.00 C ATOM 195 O GLY A 12 5.074 12.180 -1.407 1.00 0.00 O ATOM 0 H GLY A 12 4.868 10.095 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.502 9.799 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.564 10.535 -1.530 1.00 0.00 H new ATOM 199 N LYS A 13 3.801 12.285 -3.297 1.00 0.00 N ATOM 200 CA LYS A 13 2.895 11.649 -4.245 1.00 0.00 C ATOM 201 C LYS A 13 3.711 10.862 -5.275 1.00 0.00 C ATOM 202 O LYS A 13 4.393 11.417 -6.127 1.00 0.00 O ATOM 203 CB LYS A 13 2.000 12.700 -4.917 1.00 0.00 C ATOM 204 CG LYS A 13 2.719 13.648 -5.885 1.00 0.00 C ATOM 205 CD LYS A 13 3.761 14.538 -5.207 1.00 0.00 C ATOM 206 CE LYS A 13 4.340 15.568 -6.178 1.00 0.00 C ATOM 207 NZ LYS A 13 3.338 16.520 -6.638 1.00 0.00 N ATOM 0 H LYS A 13 4.075 13.228 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 13 2.241 10.954 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.207 12.185 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.520 13.295 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.206 13.059 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.980 14.279 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.306 15.051 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.566 13.919 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.153 16.107 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.769 15.053 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.811 17.342 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.727 16.066 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.760 16.832 -5.832 1.00 0.00 H new ATOM 221 N ILE A 14 3.602 9.530 -5.131 1.00 0.00 N ATOM 222 CA ILE A 14 4.368 8.687 -6.024 1.00 0.00 C ATOM 223 C ILE A 14 3.555 8.427 -7.300 1.00 0.00 C ATOM 224 O ILE A 14 2.438 7.928 -7.248 1.00 0.00 O ATOM 225 CB ILE A 14 4.681 7.366 -5.315 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.825 6.629 -6.007 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.437 6.482 -5.230 1.00 0.00 C ATOM 228 CD1 ILE A 14 7.140 7.392 -5.859 1.00 0.00 C ATOM 0 H ILE A 14 3.023 9.048 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 14 5.302 9.178 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 14 4.998 7.600 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.930 5.631 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.592 6.501 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.687 5.550 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.658 7.002 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.077 6.262 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.937 6.844 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.040 8.380 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.383 7.497 -4.802 1.00 0.00 H new ATOM 240 N PRO A 15 4.161 8.786 -8.458 1.00 0.00 N ATOM 241 CA PRO A 15 3.533 8.551 -9.749 1.00 0.00 C ATOM 242 C PRO A 15 3.038 7.113 -9.897 1.00 0.00 C ATOM 243 O PRO A 15 3.793 6.157 -9.775 1.00 0.00 O ATOM 244 CB PRO A 15 4.638 8.848 -10.763 1.00 0.00 C ATOM 245 CG PRO A 15 5.614 9.773 -10.029 1.00 0.00 C ATOM 246 CD PRO A 15 5.475 9.407 -8.549 1.00 0.00 C ATOM 0 HA PRO A 15 2.649 9.174 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.132 7.932 -11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.236 9.327 -11.655 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.636 9.624 -10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.368 10.821 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.262 8.723 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.544 10.289 -7.912 1.00 0.00 H new ATOM 254 N ARG A 16 1.720 7.027 -10.158 1.00 0.00 N ATOM 255 CA ARG A 16 1.112 5.712 -10.284 1.00 0.00 C ATOM 256 C ARG A 16 2.052 4.747 -11.020 1.00 0.00 C ATOM 257 O ARG A 16 2.195 3.587 -10.656 1.00 0.00 O ATOM 258 CB ARG A 16 -0.215 5.830 -11.034 1.00 0.00 C ATOM 259 CG ARG A 16 -0.922 4.480 -11.161 1.00 0.00 C ATOM 260 CD ARG A 16 -2.249 4.603 -11.910 1.00 0.00 C ATOM 261 NE ARG A 16 -2.891 3.306 -12.006 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.853 3.126 -12.929 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.203 4.123 -13.738 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.458 1.946 -13.033 1.00 0.00 N ATOM 0 H ARG A 16 1.089 7.819 -10.279 1.00 0.00 H new ATOM 0 HA ARG A 16 0.929 5.313 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.865 6.532 -10.512 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.035 6.240 -12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.273 3.778 -11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.102 4.069 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.904 5.304 -11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.076 5.006 -12.908 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.618 2.544 -11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.741 5.029 -13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.933 3.981 -14.436 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.192 1.180 -12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.188 1.807 -13.732 1.00 0.00 H new ATOM 278 N ALA A 17 2.698 5.313 -12.056 1.00 0.00 N ATOM 279 CA ALA A 17 3.709 4.527 -12.731 1.00 0.00 C ATOM 280 C ALA A 17 4.770 4.106 -11.716 1.00 0.00 C ATOM 281 O ALA A 17 4.881 2.945 -11.342 1.00 0.00 O ATOM 282 CB ALA A 17 4.344 5.351 -13.851 1.00 0.00 C ATOM 0 H ALA A 17 2.543 6.254 -12.417 1.00 0.00 H new ATOM 0 HA ALA A 17 3.255 3.638 -13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.104 4.754 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.577 5.643 -14.568 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.805 6.244 -13.429 1.00 0.00 H new ATOM 288 N LYS A 18 5.536 5.133 -11.305 1.00 0.00 N ATOM 289 CA LYS A 18 6.639 4.894 -10.391 1.00 0.00 C ATOM 290 C LYS A 18 6.289 3.795 -9.381 1.00 0.00 C ATOM 291 O LYS A 18 7.052 2.861 -9.162 1.00 0.00 O ATOM 292 CB LYS A 18 6.991 6.189 -9.664 1.00 0.00 C ATOM 293 CG LYS A 18 8.270 6.040 -8.843 1.00 0.00 C ATOM 294 CD LYS A 18 9.491 5.797 -9.732 1.00 0.00 C ATOM 295 CE LYS A 18 10.780 5.694 -8.916 1.00 0.00 C ATOM 296 NZ LYS A 18 10.782 4.541 -8.023 1.00 0.00 N ATOM 0 H LYS A 18 5.408 6.105 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 18 7.501 4.557 -10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.115 6.993 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.168 6.475 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.427 6.940 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.159 5.211 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.348 4.879 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.582 6.609 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.631 5.627 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.910 6.604 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.743 4.866 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.954 3.945 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.651 3.989 -8.171 1.00 0.00 H new ATOM 310 N ALA A 19 5.091 3.961 -8.791 1.00 0.00 N ATOM 311 CA ALA A 19 4.674 2.973 -7.813 1.00 0.00 C ATOM 312 C ALA A 19 4.698 1.585 -8.451 1.00 0.00 C ATOM 313 O ALA A 19 5.513 0.731 -8.125 1.00 0.00 O ATOM 314 CB ALA A 19 3.264 3.288 -7.313 1.00 0.00 C ATOM 0 H ALA A 19 4.438 4.725 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 19 5.360 2.997 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.962 2.540 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.254 4.275 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.569 3.274 -8.152 1.00 0.00 H new ATOM 320 N GLU A 20 3.737 1.431 -9.378 1.00 0.00 N ATOM 321 CA GLU A 20 3.629 0.149 -10.056 1.00 0.00 C ATOM 322 C GLU A 20 4.985 -0.336 -10.607 1.00 0.00 C ATOM 323 O GLU A 20 5.188 -1.524 -10.821 1.00 0.00 O ATOM 324 CB GLU A 20 2.622 0.266 -11.200 1.00 0.00 C ATOM 325 CG GLU A 20 1.243 0.703 -10.704 1.00 0.00 C ATOM 326 CD GLU A 20 0.278 0.810 -11.886 1.00 0.00 C ATOM 327 OE1 GLU A 20 0.721 1.167 -12.976 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.907 0.530 -11.703 1.00 0.00 O ATOM 0 H GLU A 20 3.062 2.142 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 20 3.292 -0.586 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.988 0.984 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.537 -0.694 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.864 -0.015 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.317 1.664 -10.195 1.00 0.00 H new ATOM 335 N GLU A 21 5.893 0.633 -10.830 1.00 0.00 N ATOM 336 CA GLU A 21 7.165 0.266 -11.422 1.00 0.00 C ATOM 337 C GLU A 21 8.106 -0.284 -10.348 1.00 0.00 C ATOM 338 O GLU A 21 8.259 -1.489 -10.185 1.00 0.00 O ATOM 339 CB GLU A 21 7.767 1.484 -12.120 1.00 0.00 C ATOM 340 CG GLU A 21 6.914 1.906 -13.317 1.00 0.00 C ATOM 341 CD GLU A 21 6.986 0.836 -14.408 1.00 0.00 C ATOM 342 OE1 GLU A 21 7.989 0.127 -14.468 1.00 0.00 O ATOM 343 OE2 GLU A 21 6.036 0.721 -15.181 1.00 0.00 O ATOM 0 H GLU A 21 5.769 1.623 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 21 7.015 -0.519 -12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.844 2.311 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.779 1.254 -12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.880 2.051 -13.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.266 2.861 -13.708 1.00 0.00 H new ATOM 350 N MET A 22 8.734 0.670 -9.638 1.00 0.00 N ATOM 351 CA MET A 22 9.699 0.228 -8.647 1.00 0.00 C ATOM 352 C MET A 22 9.109 -0.904 -7.799 1.00 0.00 C ATOM 353 O MET A 22 9.772 -1.888 -7.491 1.00 0.00 O ATOM 354 CB MET A 22 10.125 1.398 -7.758 1.00 0.00 C ATOM 355 CG MET A 22 8.997 1.883 -6.845 1.00 0.00 C ATOM 356 SD MET A 22 9.510 3.307 -5.869 1.00 0.00 S ATOM 357 CE MET A 22 10.106 2.417 -4.423 1.00 0.00 C ATOM 0 H MET A 22 8.599 1.677 -9.727 1.00 0.00 H new ATOM 0 HA MET A 22 10.581 -0.150 -9.164 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.976 1.095 -7.148 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.460 2.224 -8.386 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.127 2.146 -7.447 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.692 1.075 -6.180 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.474 3.129 -3.684 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.291 1.836 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.914 1.747 -4.716 1.00 0.00 H new ATOM 367 N LEU A 23 7.824 -0.705 -7.449 1.00 0.00 N ATOM 368 CA LEU A 23 7.189 -1.704 -6.610 1.00 0.00 C ATOM 369 C LEU A 23 7.104 -3.061 -7.321 1.00 0.00 C ATOM 370 O LEU A 23 7.217 -4.110 -6.698 1.00 0.00 O ATOM 371 CB LEU A 23 5.793 -1.232 -6.211 1.00 0.00 C ATOM 372 CG LEU A 23 5.132 -2.188 -5.219 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.971 -2.319 -3.949 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.728 -1.699 -4.874 1.00 0.00 C ATOM 0 H LEU A 23 7.246 0.090 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 23 7.799 -1.834 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.858 -0.238 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.171 -1.145 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 23 5.061 -3.171 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.480 -3.004 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.958 -2.705 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.074 -1.341 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.266 -2.388 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.788 -0.706 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.126 -1.653 -5.781 1.00 0.00 H new ATOM 386 N SER A 24 6.907 -2.986 -8.651 1.00 0.00 N ATOM 387 CA SER A 24 6.894 -4.245 -9.380 1.00 0.00 C ATOM 388 C SER A 24 8.297 -4.877 -9.412 1.00 0.00 C ATOM 389 O SER A 24 8.450 -6.091 -9.386 1.00 0.00 O ATOM 390 CB SER A 24 6.390 -4.031 -10.807 1.00 0.00 C ATOM 391 OG SER A 24 7.187 -3.092 -11.484 1.00 0.00 O ATOM 0 H SER A 24 6.766 -2.136 -9.197 1.00 0.00 H new ATOM 0 HA SER A 24 6.218 -4.925 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.399 -4.978 -11.346 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.356 -3.687 -10.784 1.00 0.00 H new ATOM 0 HG SER A 24 7.766 -2.630 -10.842 1.00 0.00 H new ATOM 397 N LYS A 25 9.303 -3.984 -9.461 1.00 0.00 N ATOM 398 CA LYS A 25 10.670 -4.469 -9.477 1.00 0.00 C ATOM 399 C LYS A 25 11.077 -5.023 -8.102 1.00 0.00 C ATOM 400 O LYS A 25 12.223 -4.908 -7.686 1.00 0.00 O ATOM 401 CB LYS A 25 11.587 -3.313 -9.872 1.00 0.00 C ATOM 402 CG LYS A 25 11.096 -2.623 -11.145 1.00 0.00 C ATOM 403 CD LYS A 25 11.862 -1.335 -11.451 1.00 0.00 C ATOM 404 CE LYS A 25 13.272 -1.603 -11.982 1.00 0.00 C ATOM 405 NZ LYS A 25 14.156 -2.169 -10.970 1.00 0.00 N ATOM 0 H LYS A 25 9.192 -2.970 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 25 10.756 -5.283 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.634 -2.589 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.600 -3.686 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.195 -3.309 -11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.035 -2.395 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.306 -0.751 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.927 -0.731 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.213 -2.286 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.700 -0.671 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.114 -1.782 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.800 -1.926 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.185 -3.203 -11.074 1.00 0.00 H new ATOM 419 N GLN A 26 10.079 -5.624 -7.423 1.00 0.00 N ATOM 420 CA GLN A 26 10.377 -6.187 -6.121 1.00 0.00 C ATOM 421 C GLN A 26 10.555 -7.698 -6.249 1.00 0.00 C ATOM 422 O GLN A 26 9.970 -8.351 -7.105 1.00 0.00 O ATOM 423 CB GLN A 26 9.245 -5.867 -5.144 1.00 0.00 C ATOM 424 CG GLN A 26 9.179 -4.377 -4.807 1.00 0.00 C ATOM 425 CD GLN A 26 10.420 -3.949 -4.020 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.414 -4.659 -3.935 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.278 -2.743 -3.441 1.00 0.00 N ATOM 0 H GLN A 26 9.116 -5.723 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 26 11.300 -5.751 -5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.295 -6.183 -5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.385 -6.440 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.104 -3.794 -5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.282 -4.170 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.413 -2.217 -3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.035 -2.355 -2.879 1.00 0.00 H new ATOM 436 N ARG A 27 11.411 -8.199 -5.344 1.00 0.00 N ATOM 437 CA ARG A 27 11.670 -9.625 -5.363 1.00 0.00 C ATOM 438 C ARG A 27 10.473 -10.412 -4.809 1.00 0.00 C ATOM 439 O ARG A 27 10.634 -11.417 -4.127 1.00 0.00 O ATOM 440 CB ARG A 27 12.919 -9.923 -4.541 1.00 0.00 C ATOM 441 CG ARG A 27 13.431 -11.330 -4.830 1.00 0.00 C ATOM 442 CD ARG A 27 13.959 -11.437 -6.259 1.00 0.00 C ATOM 443 NE ARG A 27 14.470 -12.772 -6.506 1.00 0.00 N ATOM 444 CZ ARG A 27 14.562 -13.204 -7.778 1.00 0.00 C ATOM 445 NH1 ARG A 27 14.186 -12.419 -8.784 1.00 0.00 N ATOM 446 NH2 ARG A 27 15.029 -14.424 -8.030 1.00 0.00 N ATOM 0 H ARG A 27 11.906 -7.663 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 27 11.827 -9.937 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.695 -9.194 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.694 -9.823 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.223 -11.584 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.628 -12.051 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.162 -11.208 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.748 -10.702 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 27 14.754 -13.372 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.826 -11.484 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.258 -12.752 -9.745 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.316 -15.029 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.100 -14.754 -8.992 1.00 0.00 H new ATOM 460 N HIS A 28 9.273 -9.889 -5.130 1.00 0.00 N ATOM 461 CA HIS A 28 8.078 -10.532 -4.617 1.00 0.00 C ATOM 462 C HIS A 28 8.276 -10.882 -3.141 1.00 0.00 C ATOM 463 O HIS A 28 8.796 -11.934 -2.791 1.00 0.00 O ATOM 464 CB HIS A 28 7.784 -11.797 -5.424 1.00 0.00 C ATOM 465 CG HIS A 28 6.515 -12.432 -4.910 1.00 0.00 C ATOM 466 ND1 HIS A 28 5.277 -12.024 -5.258 1.00 0.00 N ATOM 467 CD2 HIS A 28 6.395 -13.510 -4.017 1.00 0.00 C ATOM 468 CE1 HIS A 28 4.427 -12.831 -4.597 1.00 0.00 C ATOM 469 NE2 HIS A 28 5.073 -13.737 -3.840 1.00 0.00 N ATOM 0 H HIS A 28 9.121 -9.066 -5.712 1.00 0.00 H new ATOM 0 HA HIS A 28 7.232 -9.851 -4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.680 -11.552 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.615 -12.497 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.206 -14.055 -3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.352 -12.760 -4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.650 -14.453 -3.250 1.00 0.00 H new ATOM 477 N ASP A 29 7.828 -9.928 -2.305 1.00 0.00 N ATOM 478 CA ASP A 29 8.028 -10.154 -0.887 1.00 0.00 C ATOM 479 C ASP A 29 7.149 -9.223 -0.047 1.00 0.00 C ATOM 480 O ASP A 29 7.554 -8.743 1.004 1.00 0.00 O ATOM 481 CB ASP A 29 9.503 -9.947 -0.543 1.00 0.00 C ATOM 482 CG ASP A 29 9.748 -10.269 0.931 1.00 0.00 C ATOM 483 OD1 ASP A 29 9.131 -11.204 1.438 1.00 0.00 O ATOM 484 OD2 ASP A 29 10.549 -9.576 1.558 1.00 0.00 O ATOM 0 H ASP A 29 7.361 -9.061 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 29 7.740 -11.179 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.124 -10.586 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.792 -8.917 -0.751 1.00 0.00 H new ATOM 489 N GLY A 30 5.927 -9.004 -0.566 1.00 0.00 N ATOM 490 CA GLY A 30 5.023 -8.175 0.214 1.00 0.00 C ATOM 491 C GLY A 30 5.466 -6.699 0.303 1.00 0.00 C ATOM 492 O GLY A 30 4.809 -5.890 0.947 1.00 0.00 O ATOM 0 H GLY A 30 5.572 -9.362 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.027 -8.222 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.945 -8.584 1.221 1.00 0.00 H new ATOM 496 N ALA A 31 6.593 -6.384 -0.369 1.00 0.00 N ATOM 497 CA ALA A 31 7.018 -4.996 -0.364 1.00 0.00 C ATOM 498 C ALA A 31 5.817 -4.112 -0.711 1.00 0.00 C ATOM 499 O ALA A 31 5.072 -4.385 -1.644 1.00 0.00 O ATOM 500 CB ALA A 31 8.143 -4.796 -1.379 1.00 0.00 C ATOM 0 H ALA A 31 7.183 -7.035 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 31 7.394 -4.723 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.459 -3.753 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.988 -5.433 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.786 -5.060 -2.374 1.00 0.00 H new ATOM 506 N PHE A 32 5.659 -3.058 0.111 1.00 0.00 N ATOM 507 CA PHE A 32 4.448 -2.282 -0.083 1.00 0.00 C ATOM 508 C PHE A 32 4.692 -0.792 0.170 1.00 0.00 C ATOM 509 O PHE A 32 5.643 -0.390 0.828 1.00 0.00 O ATOM 510 CB PHE A 32 3.360 -2.791 0.863 1.00 0.00 C ATOM 511 CG PHE A 32 3.719 -2.550 2.301 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.686 -3.386 2.963 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.097 -1.472 3.027 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.030 -3.149 4.341 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.438 -1.233 4.405 1.00 0.00 C ATOM 516 CZ PHE A 32 4.404 -2.072 5.060 1.00 0.00 C ATOM 0 H PHE A 32 6.296 -2.753 0.847 1.00 0.00 H new ATOM 0 HA PHE A 32 4.130 -2.401 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.417 -2.294 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.206 -3.858 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.156 -4.195 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.372 -0.841 2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.756 -3.778 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.969 -0.425 4.946 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.660 -1.893 6.094 1.00 0.00 H new ATOM 526 N LEU A 33 3.741 -0.014 -0.381 1.00 0.00 N ATOM 527 CA LEU A 33 3.746 1.397 -0.046 1.00 0.00 C ATOM 528 C LEU A 33 2.309 1.911 0.006 1.00 0.00 C ATOM 529 O LEU A 33 1.432 1.470 -0.728 1.00 0.00 O ATOM 530 CB LEU A 33 4.609 2.215 -1.018 1.00 0.00 C ATOM 531 CG LEU A 33 4.205 2.103 -2.490 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.034 3.027 -2.839 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.399 2.436 -3.388 1.00 0.00 C ATOM 0 H LEU A 33 3.008 -0.324 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 33 4.199 1.520 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.567 3.264 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.646 1.897 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 33 3.884 1.075 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.783 2.913 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.169 2.765 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.316 4.061 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.102 2.354 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.734 3.453 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.212 1.739 -3.186 1.00 0.00 H new ATOM 545 N ILE A 34 2.136 2.866 0.936 1.00 0.00 N ATOM 546 CA ILE A 34 0.854 3.537 0.991 1.00 0.00 C ATOM 547 C ILE A 34 1.050 4.973 0.515 1.00 0.00 C ATOM 548 O ILE A 34 1.611 5.814 1.207 1.00 0.00 O ATOM 549 CB ILE A 34 0.305 3.519 2.419 1.00 0.00 C ATOM 550 CG1 ILE A 34 0.076 2.087 2.902 1.00 0.00 C ATOM 551 CG2 ILE A 34 -0.988 4.331 2.509 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.440 2.053 4.341 1.00 0.00 C ATOM 0 H ILE A 34 2.832 3.169 1.618 1.00 0.00 H new ATOM 0 HA ILE A 34 0.135 3.025 0.351 1.00 0.00 H new ATOM 0 HB ILE A 34 1.048 3.979 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.640 1.592 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.009 1.527 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.363 4.306 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.790 5.363 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.734 3.903 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.591 1.018 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.289 2.525 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.386 2.591 4.401 1.00 0.00 H new ATOM 564 N ARG A 35 0.576 5.186 -0.724 1.00 0.00 N ATOM 565 CA ARG A 35 0.898 6.458 -1.335 1.00 0.00 C ATOM 566 C ARG A 35 -0.188 7.494 -1.059 1.00 0.00 C ATOM 567 O ARG A 35 -1.357 7.186 -0.858 1.00 0.00 O ATOM 568 CB ARG A 35 1.082 6.285 -2.841 1.00 0.00 C ATOM 569 CG ARG A 35 -0.165 5.693 -3.496 1.00 0.00 C ATOM 570 CD ARG A 35 -0.003 5.535 -5.006 1.00 0.00 C ATOM 571 NE ARG A 35 0.145 6.838 -5.628 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.189 6.987 -6.923 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.637 5.951 -7.626 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.070 8.177 -7.505 1.00 0.00 N ATOM 0 H ARG A 35 0.012 4.541 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 35 1.829 6.817 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.308 7.250 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.937 5.636 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.380 4.721 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.021 6.335 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.868 4.918 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.870 5.021 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 35 0.497 7.630 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.729 5.036 -7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.888 6.071 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.274 8.974 -6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.323 8.292 -8.486 1.00 0.00 H new ATOM 588 N GLU A 36 0.304 8.745 -1.067 1.00 0.00 N ATOM 589 CA GLU A 36 -0.610 9.854 -0.870 1.00 0.00 C ATOM 590 C GLU A 36 -0.686 10.681 -2.154 1.00 0.00 C ATOM 591 O GLU A 36 0.326 11.067 -2.727 1.00 0.00 O ATOM 592 CB GLU A 36 -0.120 10.724 0.288 1.00 0.00 C ATOM 593 CG GLU A 36 0.033 9.922 1.581 1.00 0.00 C ATOM 594 CD GLU A 36 0.508 10.840 2.707 1.00 0.00 C ATOM 595 OE1 GLU A 36 1.637 11.322 2.635 1.00 0.00 O ATOM 596 OE2 GLU A 36 -0.256 11.060 3.647 1.00 0.00 O ATOM 0 H GLU A 36 1.284 8.995 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.603 9.474 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.838 11.173 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.822 11.542 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.919 9.464 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.747 9.112 1.435 1.00 0.00 H new ATOM 603 N SER A 37 -1.942 10.917 -2.575 1.00 0.00 N ATOM 604 CA SER A 37 -2.089 11.666 -3.809 1.00 0.00 C ATOM 605 C SER A 37 -1.247 12.944 -3.746 1.00 0.00 C ATOM 606 O SER A 37 -0.565 13.223 -2.766 1.00 0.00 O ATOM 607 CB SER A 37 -3.561 12.010 -4.047 1.00 0.00 C ATOM 608 OG SER A 37 -3.716 12.706 -5.257 1.00 0.00 O ATOM 0 H SER A 37 -2.802 10.622 -2.113 1.00 0.00 H new ATOM 0 HA SER A 37 -1.738 11.053 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.155 11.096 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.937 12.615 -3.222 1.00 0.00 H new ATOM 0 HG SER A 37 -4.663 12.917 -5.394 1.00 0.00 H new ATOM 614 N GLU A 38 -1.347 13.694 -4.858 1.00 0.00 N ATOM 615 CA GLU A 38 -0.597 14.936 -4.943 1.00 0.00 C ATOM 616 C GLU A 38 -0.692 15.688 -3.613 1.00 0.00 C ATOM 617 O GLU A 38 0.220 15.675 -2.795 1.00 0.00 O ATOM 618 CB GLU A 38 -1.150 15.796 -6.080 1.00 0.00 C ATOM 619 CG GLU A 38 -0.380 17.105 -6.233 1.00 0.00 C ATOM 620 CD GLU A 38 -0.967 17.925 -7.383 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.614 17.661 -8.531 1.00 0.00 O ATOM 622 OE2 GLU A 38 -1.765 18.822 -7.116 1.00 0.00 O ATOM 0 H GLU A 38 -1.917 13.466 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 38 0.450 14.714 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.103 15.236 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.201 16.014 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.429 17.676 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.673 16.897 -6.424 1.00 0.00 H new ATOM 629 N SER A 39 -1.863 16.330 -3.457 1.00 0.00 N ATOM 630 CA SER A 39 -2.127 16.970 -2.181 1.00 0.00 C ATOM 631 C SER A 39 -2.820 15.959 -1.265 1.00 0.00 C ATOM 632 O SER A 39 -2.417 15.725 -0.132 1.00 0.00 O ATOM 633 CB SER A 39 -3.015 18.197 -2.389 1.00 0.00 C ATOM 634 OG SER A 39 -3.272 18.836 -1.164 1.00 0.00 O ATOM 0 H SER A 39 -2.597 16.412 -4.161 1.00 0.00 H new ATOM 0 HA SER A 39 -1.193 17.298 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.529 18.893 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.955 17.898 -2.853 1.00 0.00 H new ATOM 0 HG SER A 39 -3.840 19.620 -1.317 1.00 0.00 H new ATOM 640 N ALA A 40 -3.858 15.349 -1.865 1.00 0.00 N ATOM 641 CA ALA A 40 -4.421 14.159 -1.262 1.00 0.00 C ATOM 642 C ALA A 40 -5.185 14.496 0.024 1.00 0.00 C ATOM 643 O ALA A 40 -4.613 14.991 0.988 1.00 0.00 O ATOM 644 CB ALA A 40 -3.285 13.192 -0.930 1.00 0.00 C ATOM 0 H ALA A 40 -4.300 15.655 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.120 13.708 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.696 12.291 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.754 12.927 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.594 13.668 -0.234 1.00 0.00 H new ATOM 650 N PRO A 41 -6.501 14.175 0.014 1.00 0.00 N ATOM 651 CA PRO A 41 -7.312 14.251 1.216 1.00 0.00 C ATOM 652 C PRO A 41 -6.898 13.076 2.114 1.00 0.00 C ATOM 653 O PRO A 41 -5.783 13.031 2.620 1.00 0.00 O ATOM 654 CB PRO A 41 -8.749 14.136 0.697 1.00 0.00 C ATOM 655 CG PRO A 41 -8.626 13.343 -0.607 1.00 0.00 C ATOM 656 CD PRO A 41 -7.232 13.673 -1.146 1.00 0.00 C ATOM 0 HA PRO A 41 -7.200 15.159 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.390 13.623 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.188 15.119 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.737 12.273 -0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.401 13.630 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.750 12.791 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.279 14.420 -1.939 1.00 0.00 H new ATOM 664 N GLY A 42 -7.839 12.128 2.272 1.00 0.00 N ATOM 665 CA GLY A 42 -7.459 10.925 2.986 1.00 0.00 C ATOM 666 C GLY A 42 -7.432 9.732 2.025 1.00 0.00 C ATOM 667 O GLY A 42 -8.135 8.745 2.208 1.00 0.00 O ATOM 0 H GLY A 42 -8.801 12.173 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.478 11.057 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.164 10.735 3.795 1.00 0.00 H new ATOM 671 N ASP A 43 -6.585 9.890 0.989 1.00 0.00 N ATOM 672 CA ASP A 43 -6.514 8.820 0.014 1.00 0.00 C ATOM 673 C ASP A 43 -5.264 7.976 0.269 1.00 0.00 C ATOM 674 O ASP A 43 -4.140 8.391 0.013 1.00 0.00 O ATOM 675 CB ASP A 43 -6.477 9.407 -1.397 1.00 0.00 C ATOM 676 CG ASP A 43 -7.734 10.246 -1.643 1.00 0.00 C ATOM 677 OD1 ASP A 43 -8.697 10.093 -0.894 1.00 0.00 O ATOM 678 OD2 ASP A 43 -7.732 11.045 -2.578 1.00 0.00 O ATOM 0 H ASP A 43 -5.983 10.696 0.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.395 8.185 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.587 10.024 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.414 8.605 -2.133 1.00 0.00 H new ATOM 683 N PHE A 44 -5.545 6.768 0.788 1.00 0.00 N ATOM 684 CA PHE A 44 -4.439 5.882 1.099 1.00 0.00 C ATOM 685 C PHE A 44 -4.698 4.506 0.482 1.00 0.00 C ATOM 686 O PHE A 44 -5.743 3.898 0.678 1.00 0.00 O ATOM 687 CB PHE A 44 -4.291 5.748 2.617 1.00 0.00 C ATOM 688 CG PHE A 44 -4.097 7.081 3.279 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.312 8.106 2.641 1.00 0.00 C ATOM 690 CD2 PHE A 44 -4.698 7.343 4.562 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.131 9.384 3.276 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.518 8.621 5.201 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.736 9.641 4.556 1.00 0.00 C ATOM 0 H PHE A 44 -6.478 6.408 0.988 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.519 6.297 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.178 5.264 3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.442 5.103 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.857 7.914 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.286 6.578 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.542 10.149 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.970 8.813 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.603 10.601 5.033 1.00 0.00 H new ATOM 703 N SER A 45 -3.679 4.059 -0.273 1.00 0.00 N ATOM 704 CA SER A 45 -3.815 2.751 -0.883 1.00 0.00 C ATOM 705 C SER A 45 -2.527 1.949 -0.678 1.00 0.00 C ATOM 706 O SER A 45 -1.429 2.399 -0.982 1.00 0.00 O ATOM 707 CB SER A 45 -4.125 2.896 -2.373 1.00 0.00 C ATOM 708 OG SER A 45 -3.092 3.585 -3.032 1.00 0.00 O ATOM 0 H SER A 45 -2.809 4.557 -0.461 1.00 0.00 H new ATOM 0 HA SER A 45 -4.640 2.218 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.254 1.910 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.066 3.431 -2.503 1.00 0.00 H new ATOM 0 HG SER A 45 -2.248 3.442 -2.556 1.00 0.00 H new ATOM 714 N LEU A 46 -2.748 0.738 -0.133 1.00 0.00 N ATOM 715 CA LEU A 46 -1.610 -0.111 0.161 1.00 0.00 C ATOM 716 C LEU A 46 -1.310 -1.002 -1.047 1.00 0.00 C ATOM 717 O LEU A 46 -2.105 -1.847 -1.443 1.00 0.00 O ATOM 718 CB LEU A 46 -1.927 -0.957 1.394 1.00 0.00 C ATOM 719 CG LEU A 46 -0.676 -1.518 2.073 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.044 -2.157 3.412 1.00 0.00 C ATOM 721 CD2 LEU A 46 0.052 -2.529 1.186 1.00 0.00 C ATOM 0 H LEU A 46 -3.663 0.351 0.099 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.729 0.497 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.482 -0.351 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.577 -1.782 1.104 1.00 0.00 H new ATOM 0 HG LEU A 46 0.005 -0.685 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.145 -2.553 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.496 -1.407 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.753 -2.968 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.934 -2.902 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.615 -3.361 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.356 -2.046 0.258 1.00 0.00 H new ATOM 733 N SER A 47 -0.113 -0.746 -1.601 1.00 0.00 N ATOM 734 CA SER A 47 0.282 -1.491 -2.780 1.00 0.00 C ATOM 735 C SER A 47 1.243 -2.613 -2.384 1.00 0.00 C ATOM 736 O SER A 47 2.030 -2.485 -1.454 1.00 0.00 O ATOM 737 CB SER A 47 0.969 -0.541 -3.758 1.00 0.00 C ATOM 738 OG SER A 47 2.135 -0.022 -3.176 1.00 0.00 O ATOM 0 H SER A 47 0.561 -0.060 -1.262 1.00 0.00 H new ATOM 0 HA SER A 47 -0.597 -1.930 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.215 -1.069 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.293 0.271 -4.026 1.00 0.00 H new ATOM 0 HG SER A 47 1.894 0.591 -2.450 1.00 0.00 H new ATOM 744 N VAL A 48 1.125 -3.718 -3.141 1.00 0.00 N ATOM 745 CA VAL A 48 1.985 -4.843 -2.825 1.00 0.00 C ATOM 746 C VAL A 48 2.482 -5.514 -4.106 1.00 0.00 C ATOM 747 O VAL A 48 1.809 -5.539 -5.129 1.00 0.00 O ATOM 748 CB VAL A 48 1.222 -5.867 -1.988 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.064 -7.129 -1.795 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.801 -5.277 -0.642 1.00 0.00 C ATOM 0 H VAL A 48 0.483 -3.844 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 48 2.840 -4.471 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 48 0.313 -6.138 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.507 -7.850 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.294 -7.565 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.992 -6.873 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.260 -6.029 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.687 -4.966 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.156 -4.414 -0.809 1.00 0.00 H new ATOM 760 N LYS A 49 3.702 -6.066 -3.965 1.00 0.00 N ATOM 761 CA LYS A 49 4.224 -6.844 -5.069 1.00 0.00 C ATOM 762 C LYS A 49 3.513 -8.199 -5.097 1.00 0.00 C ATOM 763 O LYS A 49 3.803 -9.095 -4.313 1.00 0.00 O ATOM 764 CB LYS A 49 5.730 -7.056 -4.897 1.00 0.00 C ATOM 765 CG LYS A 49 6.325 -7.815 -6.085 1.00 0.00 C ATOM 766 CD LYS A 49 6.394 -6.950 -7.344 1.00 0.00 C ATOM 767 CE LYS A 49 6.632 -7.788 -8.602 1.00 0.00 C ATOM 768 NZ LYS A 49 7.933 -8.446 -8.604 1.00 0.00 N ATOM 0 H LYS A 49 4.303 -5.988 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 49 4.050 -6.312 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.226 -6.091 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.919 -7.610 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.326 -8.162 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.723 -8.701 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.465 -6.391 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.195 -6.219 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.849 -8.541 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.552 -7.147 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.845 -9.389 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.609 -7.877 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.275 -8.542 -7.627 1.00 0.00 H new ATOM 782 N PHE A 50 2.565 -8.287 -6.047 1.00 0.00 N ATOM 783 CA PHE A 50 1.806 -9.519 -6.128 1.00 0.00 C ATOM 784 C PHE A 50 2.381 -10.404 -7.234 1.00 0.00 C ATOM 785 O PHE A 50 2.238 -10.130 -8.420 1.00 0.00 O ATOM 786 CB PHE A 50 0.337 -9.204 -6.416 1.00 0.00 C ATOM 787 CG PHE A 50 -0.488 -10.455 -6.465 1.00 0.00 C ATOM 788 CD1 PHE A 50 -0.525 -11.253 -7.665 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.250 -10.868 -5.315 1.00 0.00 C ATOM 790 CE1 PHE A 50 -1.317 -12.453 -7.714 1.00 0.00 C ATOM 791 CE2 PHE A 50 -2.044 -12.068 -5.362 1.00 0.00 C ATOM 792 CZ PHE A 50 -2.077 -12.859 -6.562 1.00 0.00 C ATOM 0 H PHE A 50 2.325 -7.563 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 50 1.873 -10.049 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.053 -8.539 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.256 -8.674 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.044 -10.949 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.226 -10.275 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.341 -13.048 -8.615 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.614 -12.374 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.673 -13.759 -6.599 1.00 0.00 H new ATOM 802 N GLY A 51 3.035 -11.478 -6.760 1.00 0.00 N ATOM 803 CA GLY A 51 3.634 -12.388 -7.717 1.00 0.00 C ATOM 804 C GLY A 51 4.573 -11.625 -8.654 1.00 0.00 C ATOM 805 O GLY A 51 5.727 -11.360 -8.342 1.00 0.00 O ATOM 0 H GLY A 51 3.153 -11.719 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.186 -13.168 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.855 -12.884 -8.296 1.00 0.00 H new ATOM 809 N ASN A 52 3.990 -11.303 -9.822 1.00 0.00 N ATOM 810 CA ASN A 52 4.769 -10.579 -10.812 1.00 0.00 C ATOM 811 C ASN A 52 4.249 -9.143 -11.020 1.00 0.00 C ATOM 812 O ASN A 52 4.992 -8.254 -11.418 1.00 0.00 O ATOM 813 CB ASN A 52 4.714 -11.334 -12.139 1.00 0.00 C ATOM 814 CG ASN A 52 5.603 -10.640 -13.172 1.00 0.00 C ATOM 815 OD1 ASN A 52 6.743 -10.278 -12.908 1.00 0.00 O ATOM 816 ND2 ASN A 52 4.998 -10.478 -14.363 1.00 0.00 N ATOM 0 H ASN A 52 3.030 -11.524 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 52 5.794 -10.510 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.044 -12.363 -11.996 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.687 -11.376 -12.501 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.494 -10.023 -15.129 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.043 -10.810 -14.499 1.00 0.00 H new ATOM 823 N ASP A 53 2.941 -8.969 -10.741 1.00 0.00 N ATOM 824 CA ASP A 53 2.352 -7.671 -11.000 1.00 0.00 C ATOM 825 C ASP A 53 2.226 -6.894 -9.685 1.00 0.00 C ATOM 826 O ASP A 53 2.702 -7.316 -8.639 1.00 0.00 O ATOM 827 CB ASP A 53 0.986 -7.865 -11.668 1.00 0.00 C ATOM 828 CG ASP A 53 0.453 -6.541 -12.220 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.258 -5.718 -12.653 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.762 -6.346 -12.206 1.00 0.00 O ATOM 0 H ASP A 53 2.314 -9.677 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 53 2.986 -7.094 -11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.072 -8.592 -12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.279 -8.273 -10.946 1.00 0.00 H new ATOM 835 N VAL A 54 1.556 -5.735 -9.815 1.00 0.00 N ATOM 836 CA VAL A 54 1.387 -4.896 -8.644 1.00 0.00 C ATOM 837 C VAL A 54 -0.086 -4.877 -8.230 1.00 0.00 C ATOM 838 O VAL A 54 -0.965 -4.477 -8.982 1.00 0.00 O ATOM 839 CB VAL A 54 1.866 -3.479 -8.960 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.612 -2.541 -7.779 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.346 -3.484 -9.339 1.00 0.00 C ATOM 0 H VAL A 54 1.146 -5.381 -10.679 1.00 0.00 H new ATOM 0 HA VAL A 54 1.978 -5.296 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 54 1.295 -3.110 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.961 -1.539 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.544 -2.510 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.149 -2.905 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.668 -2.467 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.933 -3.878 -8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.494 -4.111 -10.218 1.00 0.00 H new ATOM 851 N GLN A 55 -0.284 -5.333 -6.979 1.00 0.00 N ATOM 852 CA GLN A 55 -1.637 -5.327 -6.459 1.00 0.00 C ATOM 853 C GLN A 55 -1.905 -3.995 -5.760 1.00 0.00 C ATOM 854 O GLN A 55 -0.997 -3.263 -5.385 1.00 0.00 O ATOM 855 CB GLN A 55 -1.838 -6.499 -5.501 1.00 0.00 C ATOM 856 CG GLN A 55 -3.245 -6.516 -4.900 1.00 0.00 C ATOM 857 CD GLN A 55 -3.455 -7.784 -4.065 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.552 -8.326 -3.987 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.337 -8.222 -3.457 1.00 0.00 N ATOM 0 H GLN A 55 0.437 -5.688 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.345 -5.440 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.659 -7.435 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.102 -6.441 -4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.391 -5.634 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.988 -6.470 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.461 -7.713 -3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.366 -9.063 -2.881 1.00 0.00 H new ATOM 868 N HIS A 56 -3.216 -3.724 -5.644 1.00 0.00 N ATOM 869 CA HIS A 56 -3.594 -2.419 -5.137 1.00 0.00 C ATOM 870 C HIS A 56 -4.726 -2.549 -4.116 1.00 0.00 C ATOM 871 O HIS A 56 -5.804 -3.055 -4.404 1.00 0.00 O ATOM 872 CB HIS A 56 -4.034 -1.539 -6.307 1.00 0.00 C ATOM 873 CG HIS A 56 -4.354 -0.149 -5.811 1.00 0.00 C ATOM 874 ND1 HIS A 56 -3.506 0.898 -5.904 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.540 0.292 -5.200 1.00 0.00 C ATOM 876 CE1 HIS A 56 -4.157 1.944 -5.364 1.00 0.00 C ATOM 877 NE2 HIS A 56 -5.386 1.609 -4.930 1.00 0.00 N ATOM 0 H HIS A 56 -3.981 -4.355 -5.881 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.739 -1.963 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.244 -1.494 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.909 -1.973 -6.791 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.567 0.896 -6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.412 -0.308 -4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.741 2.938 -5.288 1.00 0.00 H new ATOM 885 N PHE A 57 -4.402 -2.045 -2.912 1.00 0.00 N ATOM 886 CA PHE A 57 -5.410 -2.042 -1.871 1.00 0.00 C ATOM 887 C PHE A 57 -5.802 -0.598 -1.555 1.00 0.00 C ATOM 888 O PHE A 57 -4.965 0.245 -1.258 1.00 0.00 O ATOM 889 CB PHE A 57 -4.854 -2.705 -0.612 1.00 0.00 C ATOM 890 CG PHE A 57 -4.504 -4.144 -0.849 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.372 -4.985 -1.631 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.295 -4.695 -0.290 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.038 -6.367 -1.854 1.00 0.00 C ATOM 894 CE2 PHE A 57 -2.958 -6.076 -0.511 1.00 0.00 C ATOM 895 CZ PHE A 57 -3.831 -6.912 -1.292 1.00 0.00 C ATOM 0 H PHE A 57 -3.495 -1.656 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.285 -2.596 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.968 -2.165 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.589 -2.637 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.279 -4.577 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.640 -4.069 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.692 -6.994 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.051 -6.485 -0.091 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.580 -7.949 -1.456 1.00 0.00 H new ATOM 905 N LYS A 58 -7.125 -0.371 -1.632 1.00 0.00 N ATOM 906 CA LYS A 58 -7.580 0.958 -1.277 1.00 0.00 C ATOM 907 C LYS A 58 -8.030 0.971 0.183 1.00 0.00 C ATOM 908 O LYS A 58 -8.963 0.283 0.579 1.00 0.00 O ATOM 909 CB LYS A 58 -8.732 1.391 -2.184 1.00 0.00 C ATOM 910 CG LYS A 58 -8.310 1.446 -3.651 1.00 0.00 C ATOM 911 CD LYS A 58 -9.420 1.997 -4.544 1.00 0.00 C ATOM 912 CE LYS A 58 -10.666 1.110 -4.517 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.417 -0.214 -5.074 1.00 0.00 N ATOM 0 H LYS A 58 -7.840 -1.041 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.756 1.660 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.564 0.696 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.091 2.372 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.422 2.070 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.036 0.446 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.683 3.003 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.055 2.080 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.015 1.009 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.465 1.593 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.318 -0.723 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.966 -0.119 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.788 -0.745 -4.438 1.00 0.00 H new ATOM 927 N VAL A 59 -7.306 1.805 0.949 1.00 0.00 N ATOM 928 CA VAL A 59 -7.704 1.953 2.333 1.00 0.00 C ATOM 929 C VAL A 59 -8.948 2.839 2.394 1.00 0.00 C ATOM 930 O VAL A 59 -8.870 4.060 2.444 1.00 0.00 O ATOM 931 CB VAL A 59 -6.568 2.588 3.134 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.980 2.761 4.594 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.290 1.758 3.018 1.00 0.00 C ATOM 0 H VAL A 59 -6.497 2.348 0.648 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.928 0.976 2.762 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.362 3.574 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.161 3.214 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.858 3.405 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.216 1.787 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.496 2.230 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.472 0.754 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.990 1.697 1.972 1.00 0.00 H new ATOM 943 N LEU A 60 -10.094 2.138 2.375 1.00 0.00 N ATOM 944 CA LEU A 60 -11.333 2.875 2.301 1.00 0.00 C ATOM 945 C LEU A 60 -11.854 3.205 3.698 1.00 0.00 C ATOM 946 O LEU A 60 -11.628 2.493 4.668 1.00 0.00 O ATOM 947 CB LEU A 60 -12.380 2.036 1.579 1.00 0.00 C ATOM 948 CG LEU A 60 -11.888 1.517 0.226 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.972 0.686 -0.461 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.429 2.662 -0.679 1.00 0.00 C ATOM 0 H LEU A 60 -10.175 1.122 2.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.146 3.803 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.660 1.191 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.279 2.634 1.429 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.026 0.875 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.601 0.327 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.232 -0.165 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.856 1.303 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.086 2.258 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.261 3.344 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.612 3.201 -0.198 1.00 0.00 H new ATOM 962 N ARG A 61 -12.584 4.332 3.706 1.00 0.00 N ATOM 963 CA ARG A 61 -13.255 4.733 4.921 1.00 0.00 C ATOM 964 C ARG A 61 -14.744 4.409 4.810 1.00 0.00 C ATOM 965 O ARG A 61 -15.259 4.072 3.751 1.00 0.00 O ATOM 966 CB ARG A 61 -13.047 6.229 5.111 1.00 0.00 C ATOM 967 CG ARG A 61 -13.639 6.748 6.418 1.00 0.00 C ATOM 968 CD ARG A 61 -13.109 8.147 6.689 1.00 0.00 C ATOM 969 NE ARG A 61 -13.645 9.084 5.718 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.871 9.599 5.923 1.00 0.00 C ATOM 971 NH1 ARG A 61 -15.574 9.254 6.999 1.00 0.00 N ATOM 972 NH2 ARG A 61 -15.383 10.457 5.045 1.00 0.00 N ATOM 0 H ARG A 61 -12.714 4.953 2.907 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.849 4.197 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.980 6.448 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.500 6.763 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.727 6.764 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.376 6.082 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.384 8.459 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.020 8.147 6.642 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.102 9.347 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.184 8.596 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.503 9.648 7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.846 10.723 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.312 10.849 5.197 1.00 0.00 H new ATOM 986 N ASP A 62 -15.390 4.532 5.982 1.00 0.00 N ATOM 987 CA ASP A 62 -16.816 4.268 6.008 1.00 0.00 C ATOM 988 C ASP A 62 -17.559 5.530 6.465 1.00 0.00 C ATOM 989 O ASP A 62 -17.130 6.650 6.219 1.00 0.00 O ATOM 990 CB ASP A 62 -17.098 3.087 6.939 1.00 0.00 C ATOM 991 CG ASP A 62 -16.684 3.440 8.368 1.00 0.00 C ATOM 992 OD1 ASP A 62 -15.508 3.287 8.692 1.00 0.00 O ATOM 993 OD2 ASP A 62 -17.543 3.860 9.141 1.00 0.00 O ATOM 0 H ASP A 62 -14.967 4.798 6.871 1.00 0.00 H new ATOM 0 HA ASP A 62 -17.169 4.007 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -18.158 2.835 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.552 2.207 6.600 1.00 0.00 H new ATOM 998 N GLY A 63 -18.692 5.277 7.149 1.00 0.00 N ATOM 999 CA GLY A 63 -19.464 6.409 7.627 1.00 0.00 C ATOM 1000 C GLY A 63 -19.245 6.644 9.128 1.00 0.00 C ATOM 1001 O GLY A 63 -20.158 7.008 9.860 1.00 0.00 O ATOM 0 H GLY A 63 -19.065 4.353 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -19.182 7.304 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.523 6.236 7.435 1.00 0.00 H new ATOM 1005 N ALA A 64 -17.983 6.411 9.534 1.00 0.00 N ATOM 1006 CA ALA A 64 -17.647 6.598 10.930 1.00 0.00 C ATOM 1007 C ALA A 64 -16.205 7.102 11.049 1.00 0.00 C ATOM 1008 O ALA A 64 -15.904 8.031 11.787 1.00 0.00 O ATOM 1009 CB ALA A 64 -17.797 5.266 11.661 1.00 0.00 C ATOM 0 H ALA A 64 -17.218 6.106 8.933 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.316 7.334 11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.546 5.398 12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.826 4.917 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.126 4.530 11.218 1.00 0.00 H new ATOM 1015 N GLY A 65 -15.347 6.428 10.262 1.00 0.00 N ATOM 1016 CA GLY A 65 -13.952 6.836 10.250 1.00 0.00 C ATOM 1017 C GLY A 65 -12.977 5.646 10.353 1.00 0.00 C ATOM 1018 O GLY A 65 -11.817 5.815 10.708 1.00 0.00 O ATOM 0 H GLY A 65 -15.587 5.641 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.748 7.388 9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.772 7.520 11.080 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.499 4.446 10.026 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.630 3.286 10.066 1.00 0.00 C ATOM 1024 C LYS A 66 -12.013 3.062 8.686 1.00 0.00 C ATOM 1025 O LYS A 66 -12.662 3.185 7.653 1.00 0.00 O ATOM 1026 CB LYS A 66 -13.419 2.042 10.478 1.00 0.00 C ATOM 1027 CG LYS A 66 -14.146 2.211 11.814 1.00 0.00 C ATOM 1028 CD LYS A 66 -13.191 2.203 13.011 1.00 0.00 C ATOM 1029 CE LYS A 66 -13.067 3.578 13.672 1.00 0.00 C ATOM 1030 NZ LYS A 66 -12.385 4.553 12.832 1.00 0.00 N ATOM 0 H LYS A 66 -14.465 4.273 9.748 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.842 3.463 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.147 1.806 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.739 1.193 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.702 3.148 11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.875 1.409 11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.543 1.480 13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.206 1.871 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.063 3.949 13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.526 3.475 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.612 4.994 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.996 4.077 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.060 5.285 12.532 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.715 2.724 8.754 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.006 2.415 7.528 1.00 0.00 C ATOM 1046 C TYR A 67 -9.986 0.899 7.332 1.00 0.00 C ATOM 1047 O TYR A 67 -9.727 0.133 8.253 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.580 2.959 7.604 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.578 4.444 7.810 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.578 5.335 6.677 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.575 4.991 9.142 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.576 6.760 6.873 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.572 6.416 9.342 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.573 7.300 8.207 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.571 8.667 8.398 1.00 0.00 O ATOM 0 H TYR A 67 -10.165 2.662 9.611 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.510 2.881 6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.046 2.475 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.045 2.716 6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.580 4.931 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.575 4.329 9.995 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.577 7.423 6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.569 6.821 10.343 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.570 8.863 9.358 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.291 0.522 6.080 1.00 0.00 N ATOM 1066 CA PHE A 68 -10.373 -0.903 5.818 1.00 0.00 C ATOM 1067 C PHE A 68 -10.052 -1.184 4.350 1.00 0.00 C ATOM 1068 O PHE A 68 -9.479 -0.366 3.638 1.00 0.00 O ATOM 1069 CB PHE A 68 -11.782 -1.406 6.144 1.00 0.00 C ATOM 1070 CG PHE A 68 -12.825 -0.673 5.351 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.235 -1.156 4.057 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -13.423 0.525 5.883 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.236 -0.449 3.302 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.424 1.233 5.130 1.00 0.00 C ATOM 1075 CZ PHE A 68 -14.829 0.747 3.840 1.00 0.00 C ATOM 0 H PHE A 68 -10.472 1.142 5.290 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.649 -1.423 6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -11.846 -2.473 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.977 -1.279 7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.789 -2.052 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.118 0.893 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.542 -0.815 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -14.871 2.129 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.579 1.279 3.274 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.471 -2.399 3.960 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.236 -2.821 2.592 1.00 0.00 C ATOM 1087 C LEU A 69 -11.506 -3.430 1.985 1.00 0.00 C ATOM 1088 O LEU A 69 -11.820 -3.230 0.819 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.116 -3.863 2.556 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.776 -3.286 3.011 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.645 -3.378 4.524 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.596 -4.010 2.362 1.00 0.00 C ATOM 0 H LEU A 69 -10.954 -3.074 4.553 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.949 -1.946 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.384 -4.704 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.017 -4.252 1.543 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.754 -2.242 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.685 -2.963 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.451 -2.815 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.704 -4.422 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.662 -3.570 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.623 -5.065 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.660 -3.912 1.278 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.198 -4.198 2.847 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.329 -4.948 2.344 1.00 0.00 C ATOM 1106 C TRP A 70 -14.646 -4.377 2.884 1.00 0.00 C ATOM 1107 O TRP A 70 -15.645 -4.310 2.179 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.167 -6.406 2.767 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.946 -6.989 2.094 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.390 -6.561 0.882 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.131 -8.078 2.565 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.298 -7.309 0.581 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.079 -8.261 1.569 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -11.182 -8.909 3.710 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.101 -9.269 1.743 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -10.188 -9.938 3.893 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -9.148 -10.119 2.909 1.00 0.00 C ATOM 0 H TRP A 70 -11.998 -4.304 3.841 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.361 -4.876 1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.066 -6.473 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.054 -6.977 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.774 -5.754 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.721 -7.189 -0.251 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.963 -8.773 4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.322 -9.402 1.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.222 -10.573 4.766 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.405 -10.891 3.045 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.591 -3.974 4.168 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.809 -3.447 4.748 1.00 0.00 C ATOM 1130 C VAL A 71 -15.455 -2.412 5.818 1.00 0.00 C ATOM 1131 O VAL A 71 -15.454 -1.213 5.577 1.00 0.00 O ATOM 1132 CB VAL A 71 -16.639 -4.585 5.344 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -17.912 -4.045 5.997 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.982 -5.626 4.277 1.00 0.00 C ATOM 0 H VAL A 71 -13.772 -4.003 4.775 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.404 -2.962 3.974 1.00 0.00 H new ATOM 0 HB VAL A 71 -16.040 -5.071 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -18.486 -4.872 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -17.646 -3.350 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -18.513 -3.527 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.572 -6.425 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.556 -5.154 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.062 -6.042 3.865 1.00 0.00 H new ATOM 1144 N VAL A 72 -15.166 -2.963 7.010 1.00 0.00 N ATOM 1145 CA VAL A 72 -14.792 -2.101 8.115 1.00 0.00 C ATOM 1146 C VAL A 72 -14.095 -2.936 9.191 1.00 0.00 C ATOM 1147 O VAL A 72 -14.524 -4.038 9.513 1.00 0.00 O ATOM 1148 CB VAL A 72 -16.035 -1.455 8.723 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -16.853 -0.695 7.680 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -16.899 -2.497 9.433 1.00 0.00 C ATOM 0 H VAL A 72 -15.186 -3.962 7.217 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.123 -1.323 7.747 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.692 -0.729 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -17.728 -0.252 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -16.241 0.092 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -17.175 -1.383 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -17.778 -2.012 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -17.214 -3.257 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.322 -2.966 10.230 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.998 -2.364 9.724 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.323 -3.166 10.726 1.00 0.00 C ATOM 1162 C LYS A 73 -11.232 -2.388 11.476 1.00 0.00 C ATOM 1163 O LYS A 73 -10.880 -2.737 12.596 1.00 0.00 O ATOM 1164 CB LYS A 73 -11.737 -4.403 10.047 1.00 0.00 C ATOM 1165 CG LYS A 73 -10.844 -4.026 8.867 1.00 0.00 C ATOM 1166 CD LYS A 73 -10.347 -5.261 8.113 1.00 0.00 C ATOM 1167 CE LYS A 73 -11.502 -6.056 7.501 1.00 0.00 C ATOM 1168 NZ LYS A 73 -11.040 -7.232 6.773 1.00 0.00 N ATOM 0 H LYS A 73 -12.603 -1.450 9.502 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.055 -3.457 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.160 -4.978 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.546 -5.047 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.397 -3.381 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.990 -3.452 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.660 -4.954 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.786 -5.901 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.186 -6.366 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.066 -5.412 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.462 -7.240 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.004 -7.205 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.325 -8.091 7.285 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.706 -1.332 10.821 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.586 -0.651 11.467 1.00 0.00 C ATOM 1184 C PHE A 74 -9.943 0.812 11.725 1.00 0.00 C ATOM 1185 O PHE A 74 -10.661 1.448 10.962 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.292 -0.704 10.635 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.042 -2.040 9.995 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.926 -3.226 10.803 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.938 -2.141 8.563 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.714 -4.506 10.182 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -7.726 -3.420 7.940 1.00 0.00 C ATOM 1192 CZ PHE A 74 -7.612 -4.604 8.751 1.00 0.00 C ATOM 0 H PHE A 74 -11.012 -0.962 9.921 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.402 -1.177 12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.338 0.059 9.858 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.447 -0.454 11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.998 -3.154 11.878 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.019 -1.253 7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.631 -5.394 10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.652 -3.492 6.865 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.450 -5.565 8.285 1.00 0.00 H new ATOM 1202 N ASN A 75 -9.387 1.300 12.846 1.00 0.00 N ATOM 1203 CA ASN A 75 -9.576 2.711 13.140 1.00 0.00 C ATOM 1204 C ASN A 75 -8.504 3.593 12.464 1.00 0.00 C ATOM 1205 O ASN A 75 -8.714 4.780 12.248 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.554 2.928 14.653 1.00 0.00 C ATOM 1207 CG ASN A 75 -8.185 2.538 15.213 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -7.316 2.044 14.506 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -8.060 2.797 16.527 1.00 0.00 N ATOM 0 H ASN A 75 -8.837 0.769 13.521 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.544 3.008 12.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.767 3.972 14.883 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.334 2.332 15.126 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.188 2.579 17.009 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.837 3.211 17.041 1.00 0.00 H new ATOM 1216 N SER A 76 -7.354 2.961 12.144 1.00 0.00 N ATOM 1217 CA SER A 76 -6.295 3.736 11.525 1.00 0.00 C ATOM 1218 C SER A 76 -5.384 2.810 10.714 1.00 0.00 C ATOM 1219 O SER A 76 -5.381 1.598 10.886 1.00 0.00 O ATOM 1220 CB SER A 76 -5.488 4.462 12.601 1.00 0.00 C ATOM 1221 OG SER A 76 -4.475 5.243 12.019 1.00 0.00 O ATOM 0 H SER A 76 -7.154 1.973 12.298 1.00 0.00 H new ATOM 0 HA SER A 76 -6.733 4.476 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.149 5.096 13.192 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.047 3.736 13.284 1.00 0.00 H new ATOM 0 HG SER A 76 -3.970 5.701 12.723 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.620 3.464 9.819 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.727 2.675 8.991 1.00 0.00 C ATOM 1229 C LEU A 77 -2.973 1.665 9.854 1.00 0.00 C ATOM 1230 O LEU A 77 -2.850 0.494 9.518 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.723 3.582 8.275 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.399 4.571 7.326 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.359 5.478 6.667 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.209 3.831 6.263 1.00 0.00 C ATOM 0 H LEU A 77 -4.607 4.472 9.664 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.322 2.146 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.144 4.133 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.020 2.967 7.713 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.081 5.191 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.858 6.176 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.823 6.035 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.653 4.871 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.682 4.553 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.547 3.185 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.976 3.226 6.746 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.482 2.196 10.986 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.714 1.335 11.866 1.00 0.00 C ATOM 1248 C ASN A 78 -2.449 0.014 12.115 1.00 0.00 C ATOM 1249 O ASN A 78 -1.843 -1.048 12.189 1.00 0.00 O ATOM 1250 CB ASN A 78 -1.502 2.038 13.204 1.00 0.00 C ATOM 1251 CG ASN A 78 -0.904 3.428 12.985 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.909 3.970 11.886 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.386 3.960 14.107 1.00 0.00 N ATOM 0 H ASN A 78 -2.599 3.162 11.292 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.756 1.124 11.390 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.452 2.122 13.732 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.839 1.444 13.833 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.045 4.884 14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.424 3.439 14.983 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.783 0.146 12.248 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.571 -1.041 12.513 1.00 0.00 C ATOM 1262 C GLU A 79 -4.784 -1.895 11.243 1.00 0.00 C ATOM 1263 O GLU A 79 -5.073 -3.082 11.329 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.892 -0.593 13.122 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.759 -0.324 14.621 1.00 0.00 C ATOM 1266 CD GLU A 79 -4.661 0.714 14.870 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -3.488 0.343 14.841 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.990 1.876 15.096 1.00 0.00 O ATOM 0 H GLU A 79 -4.303 1.021 12.179 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.038 -1.688 13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.237 0.310 12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.649 -1.360 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.708 0.035 15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.522 -1.250 15.146 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.604 -1.248 10.074 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.615 -2.027 8.853 1.00 0.00 C ATOM 1277 C LEU A 80 -3.318 -2.832 8.788 1.00 0.00 C ATOM 1278 O LEU A 80 -3.307 -4.055 8.711 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.723 -1.085 7.650 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.022 -1.821 6.341 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.494 -0.836 5.271 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.822 -2.618 5.822 1.00 0.00 C ATOM 0 H LEU A 80 -4.458 -0.244 9.964 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.468 -2.706 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.509 -0.354 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.790 -0.531 7.544 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.815 -2.536 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.702 -1.375 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.401 -0.336 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.716 -0.094 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.092 -3.119 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.987 -1.941 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.531 -3.362 6.563 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.233 -2.040 8.838 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.911 -2.633 8.837 1.00 0.00 C ATOM 1296 C VAL A 81 -0.802 -3.709 9.925 1.00 0.00 C ATOM 1297 O VAL A 81 -0.224 -4.771 9.726 1.00 0.00 O ATOM 1298 CB VAL A 81 0.120 -1.534 9.101 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.538 -2.102 9.094 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.017 -0.406 8.079 1.00 0.00 C ATOM 0 H VAL A 81 -2.254 -1.021 8.878 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.727 -3.100 7.870 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.073 -1.122 10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.252 -1.301 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.630 -2.861 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.746 -2.550 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.726 0.364 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.141 -0.803 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.016 0.026 8.145 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.384 -3.353 11.087 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.262 -4.239 12.228 1.00 0.00 C ATOM 1312 C ASP A 82 -1.947 -5.576 11.939 1.00 0.00 C ATOM 1313 O ASP A 82 -1.423 -6.647 12.225 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.896 -3.581 13.455 1.00 0.00 C ATOM 1315 CG ASP A 82 -1.743 -4.495 14.672 1.00 0.00 C ATOM 1316 OD1 ASP A 82 -2.517 -5.443 14.795 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.854 -4.246 15.486 1.00 0.00 O ATOM 0 H ASP A 82 -1.916 -2.497 11.244 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.206 -4.426 12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.421 -2.619 13.649 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.951 -3.383 13.268 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.151 -5.439 11.358 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.917 -6.641 11.086 1.00 0.00 C ATOM 1324 C TYR A 83 -3.275 -7.462 9.960 1.00 0.00 C ATOM 1325 O TYR A 83 -3.265 -8.686 9.988 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.348 -6.257 10.708 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.192 -7.473 10.466 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.279 -8.046 9.147 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.923 -8.078 11.550 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.087 -9.213 8.912 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.734 -9.244 11.319 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.815 -9.811 9.999 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.591 -10.930 9.776 1.00 0.00 O ATOM 0 H TYR A 83 -3.586 -4.557 11.085 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.929 -7.258 11.985 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.789 -5.658 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.336 -5.636 9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.734 -7.597 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.862 -7.654 12.541 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.147 -9.639 7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.281 -9.693 12.135 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.014 -11.207 10.615 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.744 -6.715 8.974 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.152 -7.403 7.841 1.00 0.00 C ATOM 1345 C HIS A 84 -0.814 -8.057 8.219 1.00 0.00 C ATOM 1346 O HIS A 84 -0.455 -9.105 7.696 1.00 0.00 O ATOM 1347 CB HIS A 84 -1.953 -6.424 6.683 1.00 0.00 C ATOM 1348 CG HIS A 84 -3.296 -5.933 6.197 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.358 -5.707 7.000 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -3.671 -5.638 4.875 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -5.348 -5.288 6.192 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -4.963 -5.237 4.904 1.00 0.00 N ATOM 0 H HIS A 84 -2.717 -5.696 8.945 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.834 -8.195 7.531 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.342 -5.581 7.007 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.417 -6.912 5.869 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.401 -5.829 8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.044 -5.717 3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.337 -5.023 6.537 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.103 -7.395 9.153 1.00 0.00 N ATOM 1361 CA ARG A 85 1.164 -7.973 9.557 1.00 0.00 C ATOM 1362 C ARG A 85 0.934 -9.149 10.514 1.00 0.00 C ATOM 1363 O ARG A 85 1.628 -9.316 11.510 1.00 0.00 O ATOM 1364 CB ARG A 85 2.026 -6.906 10.229 1.00 0.00 C ATOM 1365 CG ARG A 85 1.433 -6.437 11.557 1.00 0.00 C ATOM 1366 CD ARG A 85 2.341 -5.424 12.257 1.00 0.00 C ATOM 1367 NE ARG A 85 1.771 -5.038 13.533 1.00 0.00 N ATOM 1368 CZ ARG A 85 1.978 -5.831 14.602 1.00 0.00 C ATOM 1369 NH1 ARG A 85 2.696 -6.945 14.483 1.00 0.00 N ATOM 1370 NH2 ARG A 85 1.464 -5.499 15.783 1.00 0.00 N ATOM 0 H ARG A 85 -0.370 -6.521 9.607 1.00 0.00 H new ATOM 0 HA ARG A 85 1.681 -8.345 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.026 -7.304 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.133 -6.053 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.456 -5.988 11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.276 -7.296 12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.331 -5.855 12.408 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.470 -4.544 11.627 1.00 0.00 H new ATOM 0 HE ARG A 85 1.223 -4.182 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.093 -7.202 13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.850 -7.542 15.296 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.914 -4.645 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.620 -6.098 16.594 1.00 0.00 H new ATOM 1384 N SER A 86 -0.086 -9.945 10.145 1.00 0.00 N ATOM 1385 CA SER A 86 -0.392 -11.109 10.956 1.00 0.00 C ATOM 1386 C SER A 86 -0.984 -12.212 10.072 1.00 0.00 C ATOM 1387 O SER A 86 -0.615 -13.378 10.158 1.00 0.00 O ATOM 1388 CB SER A 86 -1.382 -10.726 12.057 1.00 0.00 C ATOM 1389 OG SER A 86 -1.672 -11.835 12.869 1.00 0.00 O ATOM 0 H SER A 86 -0.680 -9.805 9.328 1.00 0.00 H new ATOM 0 HA SER A 86 0.523 -11.479 11.418 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.965 -9.923 12.665 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.301 -10.345 11.611 1.00 0.00 H new ATOM 0 HG SER A 86 -2.306 -11.571 13.569 1.00 0.00 H new ATOM 1395 N THR A 87 -1.916 -11.758 9.213 1.00 0.00 N ATOM 1396 CA THR A 87 -2.525 -12.697 8.292 1.00 0.00 C ATOM 1397 C THR A 87 -1.926 -12.492 6.892 1.00 0.00 C ATOM 1398 O THR A 87 -0.724 -12.311 6.736 1.00 0.00 O ATOM 1399 CB THR A 87 -4.045 -12.505 8.313 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.647 -13.417 7.429 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.446 -11.079 7.932 1.00 0.00 C ATOM 0 H THR A 87 -2.242 -10.794 9.147 1.00 0.00 H new ATOM 0 HA THR A 87 -2.319 -13.725 8.589 1.00 0.00 H new ATOM 0 HB THR A 87 -4.389 -12.686 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.411 -12.990 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.532 -10.987 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.004 -10.376 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.088 -10.857 6.927 1.00 0.00 H new ATOM 1409 N SER A 88 -2.826 -12.529 5.892 1.00 0.00 N ATOM 1410 CA SER A 88 -2.348 -12.354 4.534 1.00 0.00 C ATOM 1411 C SER A 88 -3.364 -11.547 3.726 1.00 0.00 C ATOM 1412 O SER A 88 -4.447 -11.217 4.193 1.00 0.00 O ATOM 1413 CB SER A 88 -2.145 -13.721 3.881 1.00 0.00 C ATOM 1414 OG SER A 88 -3.340 -14.459 3.896 1.00 0.00 O ATOM 0 H SER A 88 -3.830 -12.671 5.999 1.00 0.00 H new ATOM 0 HA SER A 88 -1.399 -11.818 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.804 -13.592 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.366 -14.270 4.409 1.00 0.00 H new ATOM 0 HG SER A 88 -3.192 -15.330 3.473 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.941 -11.264 2.479 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.864 -10.565 1.603 1.00 0.00 C ATOM 1422 C VAL A 89 -4.617 -11.563 0.712 1.00 0.00 C ATOM 1423 O VAL A 89 -5.810 -11.437 0.462 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.101 -9.578 0.716 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.994 -8.875 1.493 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -2.511 -10.281 -0.504 1.00 0.00 C ATOM 0 H VAL A 89 -2.028 -11.494 2.086 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.580 -10.024 2.222 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.816 -8.828 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.471 -8.181 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.428 -8.325 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.290 -9.615 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.974 -9.557 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.823 -11.061 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.314 -10.728 -1.090 1.00 0.00 H new ATOM 1436 N SER A 90 -3.824 -12.544 0.237 1.00 0.00 N ATOM 1437 CA SER A 90 -4.349 -13.458 -0.753 1.00 0.00 C ATOM 1438 C SER A 90 -4.289 -14.892 -0.223 1.00 0.00 C ATOM 1439 O SER A 90 -3.227 -15.423 0.081 1.00 0.00 O ATOM 1440 CB SER A 90 -3.503 -13.327 -2.019 1.00 0.00 C ATOM 1441 OG SER A 90 -4.086 -14.024 -3.090 1.00 0.00 O ATOM 0 H SER A 90 -2.858 -12.708 0.519 1.00 0.00 H new ATOM 0 HA SER A 90 -5.389 -13.219 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.396 -12.274 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.501 -13.713 -1.832 1.00 0.00 H new ATOM 0 HG SER A 90 -3.455 -14.059 -3.839 1.00 0.00 H new ATOM 1447 N ARG A 91 -5.497 -15.478 -0.138 1.00 0.00 N ATOM 1448 CA ARG A 91 -5.551 -16.848 0.341 1.00 0.00 C ATOM 1449 C ARG A 91 -4.637 -17.752 -0.497 1.00 0.00 C ATOM 1450 O ARG A 91 -3.975 -18.644 0.016 1.00 0.00 O ATOM 1451 CB ARG A 91 -6.991 -17.356 0.286 1.00 0.00 C ATOM 1452 CG ARG A 91 -7.930 -16.495 1.132 1.00 0.00 C ATOM 1453 CD ARG A 91 -9.364 -17.028 1.114 1.00 0.00 C ATOM 1454 NE ARG A 91 -9.397 -18.379 1.643 1.00 0.00 N ATOM 1455 CZ ARG A 91 -10.562 -18.860 2.118 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -11.658 -18.105 2.098 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -10.617 -20.094 2.608 1.00 0.00 N ATOM 0 H ARG A 91 -6.390 -15.049 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.201 -16.873 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.335 -17.361 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.026 -18.387 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.567 -16.464 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.919 -15.471 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.009 -16.380 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.752 -17.018 0.095 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.554 -18.953 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.618 -17.158 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.538 -18.474 2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.778 -20.674 2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.498 -20.461 2.968 1.00 0.00 H new ATOM 1471 N ASN A 92 -4.642 -17.462 -1.813 1.00 0.00 N ATOM 1472 CA ASN A 92 -3.810 -18.261 -2.694 1.00 0.00 C ATOM 1473 C ASN A 92 -2.373 -18.341 -2.159 1.00 0.00 C ATOM 1474 O ASN A 92 -1.724 -19.377 -2.219 1.00 0.00 O ATOM 1475 CB ASN A 92 -3.811 -17.650 -4.096 1.00 0.00 C ATOM 1476 CG ASN A 92 -5.244 -17.574 -4.627 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -6.080 -18.429 -4.362 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -5.465 -16.487 -5.388 1.00 0.00 N ATOM 0 H ASN A 92 -5.184 -16.721 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.217 -19.271 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.370 -16.653 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.197 -18.252 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.387 -16.327 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.710 -15.822 -5.559 1.00 0.00 H new ATOM 1485 N GLN A 93 -1.927 -17.184 -1.632 1.00 0.00 N ATOM 1486 CA GLN A 93 -0.577 -17.141 -1.106 1.00 0.00 C ATOM 1487 C GLN A 93 -0.509 -16.114 0.024 1.00 0.00 C ATOM 1488 O GLN A 93 -0.927 -14.972 -0.114 1.00 0.00 O ATOM 1489 CB GLN A 93 0.402 -16.770 -2.221 1.00 0.00 C ATOM 1490 CG GLN A 93 0.101 -15.390 -2.806 1.00 0.00 C ATOM 1491 CD GLN A 93 1.104 -15.066 -3.916 1.00 0.00 C ATOM 1492 OE1 GLN A 93 1.845 -14.093 -3.856 1.00 0.00 O ATOM 1493 NE2 GLN A 93 1.070 -15.952 -4.928 1.00 0.00 N ATOM 0 H GLN A 93 -2.460 -16.317 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.304 -18.121 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.420 -16.785 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.353 -17.519 -3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.914 -15.367 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.155 -14.634 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.419 -16.737 -4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.695 -15.839 -5.726 1.00 0.00 H new ATOM 1502 N GLN A 94 0.037 -16.606 1.150 1.00 0.00 N ATOM 1503 CA GLN A 94 0.119 -15.731 2.303 1.00 0.00 C ATOM 1504 C GLN A 94 1.136 -14.618 2.040 1.00 0.00 C ATOM 1505 O GLN A 94 2.299 -14.863 1.743 1.00 0.00 O ATOM 1506 CB GLN A 94 0.523 -16.543 3.533 1.00 0.00 C ATOM 1507 CG GLN A 94 1.905 -17.177 3.371 1.00 0.00 C ATOM 1508 CD GLN A 94 2.260 -17.975 4.626 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.505 -19.175 4.584 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.272 -17.223 5.741 1.00 0.00 N ATOM 0 H GLN A 94 0.405 -17.549 1.274 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.855 -15.276 2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.521 -15.897 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.216 -17.324 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.915 -17.830 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.652 -16.403 3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.055 -16.228 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.498 -17.648 6.640 1.00 0.00 H new ATOM 1519 N ILE A 95 0.617 -13.382 2.165 1.00 0.00 N ATOM 1520 CA ILE A 95 1.492 -12.248 1.931 1.00 0.00 C ATOM 1521 C ILE A 95 1.578 -11.379 3.187 1.00 0.00 C ATOM 1522 O ILE A 95 0.579 -10.947 3.749 1.00 0.00 O ATOM 1523 CB ILE A 95 0.981 -11.418 0.752 1.00 0.00 C ATOM 1524 CG1 ILE A 95 0.744 -12.301 -0.473 1.00 0.00 C ATOM 1525 CG2 ILE A 95 1.967 -10.296 0.429 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.420 -11.485 -1.726 1.00 0.00 C ATOM 0 H ILE A 95 -0.348 -13.162 2.412 1.00 0.00 H new ATOM 0 HA ILE A 95 2.488 -12.620 1.692 1.00 0.00 H new ATOM 0 HB ILE A 95 0.027 -10.971 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.631 -12.908 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.076 -12.989 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.592 -9.713 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.079 -9.648 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.935 -10.725 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.260 -12.159 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.482 -10.898 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.251 -10.816 -1.949 1.00 0.00 H new ATOM 1538 N PHE A 96 2.845 -11.154 3.578 1.00 0.00 N ATOM 1539 CA PHE A 96 3.085 -10.311 4.733 1.00 0.00 C ATOM 1540 C PHE A 96 3.557 -8.935 4.258 1.00 0.00 C ATOM 1541 O PHE A 96 4.091 -8.784 3.166 1.00 0.00 O ATOM 1542 CB PHE A 96 4.142 -10.964 5.625 1.00 0.00 C ATOM 1543 CG PHE A 96 4.378 -10.173 6.877 1.00 0.00 C ATOM 1544 CD1 PHE A 96 3.575 -10.415 8.048 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.413 -9.172 6.921 1.00 0.00 C ATOM 1546 CE1 PHE A 96 3.804 -9.663 9.254 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.645 -8.418 8.124 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.839 -8.666 9.292 1.00 0.00 C ATOM 0 H PHE A 96 3.678 -11.531 3.126 1.00 0.00 H new ATOM 0 HA PHE A 96 2.168 -10.191 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.824 -11.973 5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.077 -11.058 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 96 2.797 -11.164 8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.018 -8.987 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.199 -9.848 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.422 -7.668 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.012 -8.102 10.197 1.00 0.00 H new ATOM 1558 N LEU A 97 3.317 -7.944 5.135 1.00 0.00 N ATOM 1559 CA LEU A 97 3.706 -6.601 4.744 1.00 0.00 C ATOM 1560 C LEU A 97 5.144 -6.330 5.190 1.00 0.00 C ATOM 1561 O LEU A 97 5.480 -6.388 6.367 1.00 0.00 O ATOM 1562 CB LEU A 97 2.757 -5.576 5.368 1.00 0.00 C ATOM 1563 CG LEU A 97 1.314 -5.764 4.901 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.401 -4.732 5.561 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.213 -5.670 3.378 1.00 0.00 C ATOM 0 H LEU A 97 2.886 -8.044 6.054 1.00 0.00 H new ATOM 0 HA LEU A 97 3.648 -6.514 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.799 -5.659 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.092 -4.571 5.112 1.00 0.00 H new ATOM 0 HG LEU A 97 0.989 -6.760 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.623 -4.880 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.441 -4.850 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.732 -3.729 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.176 -5.807 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.561 -4.690 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.830 -6.445 2.924 1.00 0.00 H new ATOM 1577 N ARG A 98 5.963 -6.038 4.163 1.00 0.00 N ATOM 1578 CA ARG A 98 7.366 -5.814 4.453 1.00 0.00 C ATOM 1579 C ARG A 98 7.827 -4.484 3.850 1.00 0.00 C ATOM 1580 O ARG A 98 7.405 -4.074 2.774 1.00 0.00 O ATOM 1581 CB ARG A 98 8.198 -6.967 3.895 1.00 0.00 C ATOM 1582 CG ARG A 98 7.762 -8.312 4.479 1.00 0.00 C ATOM 1583 CD ARG A 98 8.604 -9.468 3.939 1.00 0.00 C ATOM 1584 NE ARG A 98 8.166 -10.720 4.526 1.00 0.00 N ATOM 1585 CZ ARG A 98 8.972 -11.795 4.433 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.146 -11.703 3.813 1.00 0.00 N ATOM 1587 NH2 ARG A 98 8.592 -12.955 4.962 1.00 0.00 N ATOM 0 H ARG A 98 5.688 -5.958 3.184 1.00 0.00 H new ATOM 0 HA ARG A 98 7.503 -5.768 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.102 -6.993 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.251 -6.797 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.844 -8.280 5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.712 -8.487 4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.516 -9.516 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.656 -9.299 4.167 1.00 0.00 H new ATOM 0 HE ARG A 98 7.265 -10.785 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.439 -10.815 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.753 -12.520 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.692 -13.029 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.200 -13.771 4.893 1.00 0.00 H new ATOM 1601 N ASP A 99 8.717 -3.846 4.632 1.00 0.00 N ATOM 1602 CA ASP A 99 9.255 -2.578 4.183 1.00 0.00 C ATOM 1603 C ASP A 99 9.714 -2.698 2.729 1.00 0.00 C ATOM 1604 O ASP A 99 10.479 -3.581 2.360 1.00 0.00 O ATOM 1605 CB ASP A 99 10.427 -2.169 5.075 1.00 0.00 C ATOM 1606 CG ASP A 99 9.960 -2.053 6.527 1.00 0.00 C ATOM 1607 OD1 ASP A 99 8.800 -2.362 6.797 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.761 -1.653 7.372 1.00 0.00 O ATOM 0 H ASP A 99 9.058 -4.179 5.534 1.00 0.00 H new ATOM 0 HA ASP A 99 8.480 -1.814 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.227 -2.905 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.837 -1.217 4.738 1.00 0.00 H new ATOM 1613 N ILE A 100 9.184 -1.749 1.937 1.00 0.00 N ATOM 1614 CA ILE A 100 9.504 -1.758 0.527 1.00 0.00 C ATOM 1615 C ILE A 100 11.011 -1.540 0.337 1.00 0.00 C ATOM 1616 O ILE A 100 11.840 -2.295 0.832 1.00 0.00 O ATOM 1617 CB ILE A 100 8.593 -0.742 -0.177 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.647 -0.844 -1.699 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.800 0.697 0.304 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.612 0.070 -2.348 1.00 0.00 C ATOM 0 H ILE A 100 8.560 -1.003 2.245 1.00 0.00 H new ATOM 0 HA ILE A 100 9.305 -2.722 0.059 1.00 0.00 H new ATOM 0 HB ILE A 100 7.582 -1.022 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.644 -0.576 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.468 -1.875 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.125 1.361 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.592 0.757 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.831 0.998 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.673 -0.023 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.614 -0.216 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.808 1.103 -2.061 1.00 0.00 H new ATOM 1632 N GLU A 101 11.300 -0.467 -0.409 1.00 0.00 N ATOM 1633 CA GLU A 101 12.658 -0.160 -0.783 1.00 0.00 C ATOM 1634 C GLU A 101 13.306 0.739 0.274 1.00 0.00 C ATOM 1635 O GLU A 101 12.707 1.080 1.287 1.00 0.00 O ATOM 1636 CB GLU A 101 12.547 0.579 -2.112 1.00 0.00 C ATOM 1637 CG GLU A 101 13.847 0.605 -2.905 1.00 0.00 C ATOM 1638 CD GLU A 101 14.364 -0.818 -3.119 1.00 0.00 C ATOM 1639 OE1 GLU A 101 13.999 -1.432 -4.121 1.00 0.00 O ATOM 1640 OE2 GLU A 101 15.131 -1.296 -2.284 1.00 0.00 O ATOM 0 H GLU A 101 10.604 0.192 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 101 13.275 -1.055 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.772 0.108 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.226 1.603 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.684 1.089 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.594 1.195 -2.374 1.00 0.00 H new ATOM 1647 N GLN A 102 14.565 1.100 -0.039 1.00 0.00 N ATOM 1648 CA GLN A 102 15.280 2.004 0.835 1.00 0.00 C ATOM 1649 C GLN A 102 15.351 1.440 2.256 1.00 0.00 C ATOM 1650 O GLN A 102 14.347 1.228 2.925 1.00 0.00 O ATOM 1651 CB GLN A 102 14.571 3.353 0.820 1.00 0.00 C ATOM 1652 CG GLN A 102 15.254 4.378 1.726 1.00 0.00 C ATOM 1653 CD GLN A 102 14.497 5.705 1.673 1.00 0.00 C ATOM 1654 OE1 GLN A 102 13.778 6.077 2.592 1.00 0.00 O ATOM 1655 NE2 GLN A 102 14.717 6.392 0.537 1.00 0.00 N ATOM 0 H GLN A 102 15.079 0.785 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 102 16.304 2.126 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.543 3.735 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.537 3.221 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.285 4.007 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 102 16.287 4.525 1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.333 6.008 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.268 7.297 0.393 1.00 0.00 H new ATOM 1664 N VAL A 103 16.614 1.225 2.664 1.00 0.00 N ATOM 1665 CA VAL A 103 16.834 0.723 4.007 1.00 0.00 C ATOM 1666 C VAL A 103 18.093 1.380 4.587 1.00 0.00 C ATOM 1667 O VAL A 103 19.116 1.490 3.922 1.00 0.00 O ATOM 1668 CB VAL A 103 17.007 -0.796 3.960 1.00 0.00 C ATOM 1669 CG1 VAL A 103 18.207 -1.177 3.093 1.00 0.00 C ATOM 1670 CG2 VAL A 103 17.151 -1.374 5.368 1.00 0.00 C ATOM 0 H VAL A 103 17.453 1.385 2.106 1.00 0.00 H new ATOM 0 HA VAL A 103 15.979 0.962 4.639 1.00 0.00 H new ATOM 0 HB VAL A 103 16.111 -1.224 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 103 18.312 -2.262 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 103 18.054 -0.809 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.112 -0.733 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.273 -2.455 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 103 18.024 -0.938 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 103 16.259 -1.142 5.950 1.00 0.00 H new ATOM 1680 N PRO A 104 17.974 1.815 5.864 1.00 0.00 N ATOM 1681 CA PRO A 104 19.079 2.442 6.573 1.00 0.00 C ATOM 1682 C PRO A 104 20.414 1.732 6.383 1.00 0.00 C ATOM 1683 O PRO A 104 20.565 0.541 6.624 1.00 0.00 O ATOM 1684 CB PRO A 104 18.638 2.428 8.037 1.00 0.00 C ATOM 1685 CG PRO A 104 17.108 2.388 7.986 1.00 0.00 C ATOM 1686 CD PRO A 104 16.764 1.689 6.667 1.00 0.00 C ATOM 0 HA PRO A 104 19.269 3.445 6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.039 1.561 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.993 3.313 8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.700 1.843 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.687 3.393 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.501 0.644 6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.912 2.160 6.178 1.00 0.00 H new ATOM 1694 N GLN A 105 21.359 2.559 5.904 1.00 0.00 N ATOM 1695 CA GLN A 105 22.624 1.983 5.519 1.00 0.00 C ATOM 1696 C GLN A 105 23.619 3.096 5.186 1.00 0.00 C ATOM 1697 O GLN A 105 23.380 3.941 4.331 1.00 0.00 O ATOM 1698 CB GLN A 105 22.376 1.098 4.301 1.00 0.00 C ATOM 1699 CG GLN A 105 21.885 1.897 3.094 1.00 0.00 C ATOM 1700 CD GLN A 105 21.619 0.951 1.921 1.00 0.00 C ATOM 1701 OE1 GLN A 105 20.688 0.153 1.931 1.00 0.00 O ATOM 1702 NE2 GLN A 105 22.497 1.102 0.914 1.00 0.00 N ATOM 0 H GLN A 105 21.267 3.568 5.785 1.00 0.00 H new ATOM 0 HA GLN A 105 23.046 1.390 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 105 23.297 0.578 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 105 21.639 0.335 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.974 2.438 3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 105 22.629 2.641 2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 105 23.244 1.792 0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.416 0.526 0.076 1.00 0.00 H new ATOM 1711 N GLN A 106 24.744 3.043 5.922 1.00 0.00 N ATOM 1712 CA GLN A 106 25.742 4.075 5.715 1.00 0.00 C ATOM 1713 C GLN A 106 27.106 3.437 5.434 1.00 0.00 C ATOM 1714 O GLN A 106 27.389 2.315 5.838 1.00 0.00 O ATOM 1715 CB GLN A 106 25.826 4.963 6.958 1.00 0.00 C ATOM 1716 CG GLN A 106 24.506 5.680 7.240 1.00 0.00 C ATOM 1717 CD GLN A 106 24.159 6.606 6.071 1.00 0.00 C ATOM 1718 OE1 GLN A 106 24.833 7.592 5.806 1.00 0.00 O ATOM 1719 NE2 GLN A 106 23.059 6.216 5.401 1.00 0.00 N ATOM 0 H GLN A 106 24.967 2.336 6.623 1.00 0.00 H new ATOM 0 HA GLN A 106 25.456 4.684 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.100 4.355 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.618 5.700 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 106 23.709 4.951 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 106 24.584 6.256 8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 106 22.556 5.378 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 106 22.729 6.759 4.603 1.00 0.00 H new ATOM 1728 N PRO A 107 27.942 4.224 4.721 1.00 0.00 N ATOM 1729 CA PRO A 107 29.311 3.840 4.408 1.00 0.00 C ATOM 1730 C PRO A 107 30.080 3.289 5.611 1.00 0.00 C ATOM 1731 O PRO A 107 30.193 3.933 6.646 1.00 0.00 O ATOM 1732 CB PRO A 107 29.956 5.136 3.915 1.00 0.00 C ATOM 1733 CG PRO A 107 28.794 5.999 3.417 1.00 0.00 C ATOM 1734 CD PRO A 107 27.577 5.546 4.224 1.00 0.00 C ATOM 0 HA PRO A 107 29.328 3.031 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 107 30.501 5.634 4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 107 30.672 4.941 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 107 28.997 7.059 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 107 28.631 5.860 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 107 27.365 6.234 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 107 26.682 5.504 3.603 1.00 0.00 H new ATOM 1742 N THR A 108 30.586 2.059 5.379 1.00 0.00 N ATOM 1743 CA THR A 108 31.405 1.349 6.352 1.00 0.00 C ATOM 1744 C THR A 108 30.892 -0.084 6.502 1.00 0.00 C ATOM 1745 O THR A 108 29.738 -0.332 6.832 1.00 0.00 O ATOM 1746 CB THR A 108 31.427 2.037 7.718 1.00 0.00 C ATOM 1747 OG1 THR A 108 32.164 3.231 7.637 1.00 0.00 O ATOM 1748 CG2 THR A 108 32.062 1.144 8.784 1.00 0.00 C ATOM 0 H THR A 108 30.432 1.543 4.513 1.00 0.00 H new ATOM 0 HA THR A 108 32.429 1.349 5.978 1.00 0.00 H new ATOM 0 HB THR A 108 30.395 2.243 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 108 31.577 3.958 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 108 32.061 1.664 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 108 31.490 0.220 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 108 33.088 0.910 8.499 1.00 0.00 H new ATOM 1756 N TYR A 109 31.840 -1.001 6.237 1.00 0.00 N ATOM 1757 CA TYR A 109 31.505 -2.408 6.355 1.00 0.00 C ATOM 1758 C TYR A 109 32.773 -3.207 6.664 1.00 0.00 C ATOM 1759 O TYR A 109 33.710 -3.261 5.876 1.00 0.00 O ATOM 1760 CB TYR A 109 30.875 -2.899 5.052 1.00 0.00 C ATOM 1761 CG TYR A 109 30.518 -4.353 5.133 1.00 0.00 C ATOM 1762 CD1 TYR A 109 31.476 -5.357 4.745 1.00 0.00 C ATOM 1763 CD2 TYR A 109 29.216 -4.757 5.597 1.00 0.00 C ATOM 1764 CE1 TYR A 109 31.137 -6.754 4.822 1.00 0.00 C ATOM 1765 CE2 TYR A 109 28.873 -6.153 5.675 1.00 0.00 C ATOM 1766 CZ TYR A 109 29.834 -7.151 5.287 1.00 0.00 C ATOM 1767 OH TYR A 109 29.507 -8.489 5.360 1.00 0.00 O ATOM 0 H TYR A 109 32.798 -0.796 5.953 1.00 0.00 H new ATOM 0 HA TYR A 109 30.789 -2.548 7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 109 29.981 -2.314 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 109 31.569 -2.738 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 109 32.453 -5.060 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 109 28.493 -4.009 5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 109 31.859 -7.503 4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 109 27.895 -6.451 6.024 1.00 0.00 H new ATOM 0 HH TYR A 109 28.591 -8.584 5.695 1.00 0.00 H new ATOM 1777 N VAL A 110 32.736 -3.814 7.863 1.00 0.00 N ATOM 1778 CA VAL A 110 33.898 -4.578 8.275 1.00 0.00 C ATOM 1779 C VAL A 110 33.799 -6.008 7.738 1.00 0.00 C ATOM 1780 O VAL A 110 32.829 -6.720 7.964 1.00 0.00 O ATOM 1781 CB VAL A 110 33.998 -4.587 9.801 1.00 0.00 C ATOM 1782 CG1 VAL A 110 34.153 -3.165 10.341 1.00 0.00 C ATOM 1783 CG2 VAL A 110 32.783 -5.272 10.426 1.00 0.00 C ATOM 0 H VAL A 110 31.957 -3.789 8.522 1.00 0.00 H new ATOM 0 HA VAL A 110 34.796 -4.114 7.868 1.00 0.00 H new ATOM 0 HB VAL A 110 34.885 -5.157 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 110 34.222 -3.194 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 110 35.058 -2.717 9.932 1.00 0.00 H new ATOM 0 HG13 VAL A 110 33.289 -2.569 10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 110 32.880 -5.265 11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 110 31.877 -4.739 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 110 32.725 -6.302 10.074 1.00 0.00 H new ATOM 1793 N GLN A 111 34.871 -6.369 7.011 1.00 0.00 N ATOM 1794 CA GLN A 111 34.905 -7.709 6.456 1.00 0.00 C ATOM 1795 C GLN A 111 35.790 -8.605 7.326 1.00 0.00 C ATOM 1796 O GLN A 111 36.960 -8.329 7.557 1.00 0.00 O ATOM 1797 CB GLN A 111 35.447 -7.657 5.027 1.00 0.00 C ATOM 1798 CG GLN A 111 36.876 -7.115 4.976 1.00 0.00 C ATOM 1799 CD GLN A 111 37.367 -7.080 3.528 1.00 0.00 C ATOM 1800 OE1 GLN A 111 37.878 -6.078 3.042 1.00 0.00 O ATOM 1801 NE2 GLN A 111 37.168 -8.241 2.878 1.00 0.00 N ATOM 0 H GLN A 111 35.679 -5.780 6.808 1.00 0.00 H new ATOM 0 HA GLN A 111 33.896 -8.122 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 111 35.423 -8.657 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 111 34.799 -7.029 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 111 36.910 -6.114 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 111 37.534 -7.742 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 111 36.734 -9.028 3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 111 37.451 -8.334 1.903 1.00 0.00 H new ATOM 1810 N ALA A 112 35.145 -9.689 7.791 1.00 0.00 N ATOM 1811 CA ALA A 112 35.880 -10.611 8.635 1.00 0.00 C ATOM 1812 C ALA A 112 37.249 -10.897 8.017 1.00 0.00 C ATOM 1813 O ALA A 112 37.342 -11.800 7.187 1.00 0.00 O ATOM 1814 CB ALA A 112 35.090 -11.910 8.794 1.00 0.00 C ATOM 1815 OXT ALA A 112 38.210 -10.217 8.376 1.00 0.00 O ATOM 0 H ALA A 112 34.172 -9.930 7.604 1.00 0.00 H new ATOM 0 HA ALA A 112 36.023 -10.164 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 112 35.647 -12.599 9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 112 34.124 -11.695 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 112 34.935 -12.364 7.815 1.00 0.00 H new TER 1821 ALA A 112