USER MOD reduce.3.24.130724 H: found=0, std=0, add=1039, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1039 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 56 GLN : amide:sc= -0.199 K(o=-7.1,f=-5.6) USER MOD Set 1.2: A 118 HIS : no HE2:sc= -6.93! C(o=-7.1!,f=-5.6!) USER MOD Set 2.1: A 27 MET CE :methyl -167:sc= -2.37 (180deg=-0.821) USER MOD Set 2.2: A 41 ASN : amide:sc= -14.3! C(o=-20!,f=-13!) USER MOD Set 2.3: A 93 TYR OH : rot 17:sc= -2.91! USER MOD Set 3.1: A 84 THR OG1 : rot -58:sc= -0.381! USER MOD Set 3.2: A 85 SER OG : rot -97:sc= -0.311! USER MOD Set 4.1: A 17 GLN : amide:sc= -8.9! C(o=-15!,f=-21!) USER MOD Set 4.2: A 45 HIS : no HD1:sc= -3.31 K(o=-15,f=-24!) USER MOD Set 4.3: A 79 THR OG1 : rot 57:sc= -2.82! USER MOD Set 5.1: A 57 THR OG1 : rot 171:sc= -0.408 USER MOD Set 5.2: A 73 HIS : no HD1:sc= -0.221 X(o=-0.63,f=-0.84) USER MOD Set 6.1: A 29 ASN : amide:sc= -0.132 X(o=-1.2,f=-0.91) USER MOD Set 6.2: A 33 HIS : no HD1:sc= -1.06 X(o=-1.2,f=-0.98) USER MOD Set 7.1: A 15 HIS : no HD1:sc= -12.8! C(o=-14!,f=-11!) USER MOD Set 7.2: A 42 THR OG1 : rot 180:sc= -1.09 USER MOD Set 8.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.1: A 7 SER OG : rot 110:sc= -0.586 USER MOD Set 9.2: A 107 LYS NZ :NH3+ 141:sc= -2.64 (180deg=-6.38!) USER MOD Set 9.3: A 110 GLN : amide:sc= -1.6 K(o=-4.8,f=-9.2!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -160:sc= -0.0466 (180deg=-0.405) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -81:sc= -2.33! USER MOD Single : A 8 SER OG : rot 21:sc= -9.9! USER MOD Single : A 9 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.085) USER MOD Single : A 14 GLN : amide:sc= -14! C(o=-14!,f=-9.6!) USER MOD Single : A 19 SER OG : rot 68:sc= 0.888 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.54) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.935) USER MOD Single : A 31 ASN : amide:sc= -5.49! C(o=-5.5!,f=-4.3!) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.019 (180deg=-0.197) USER MOD Single : A 34 THR OG1 : rot -99:sc= 0.156 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.162 (180deg=-1.02) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 153:sc= -2.88! USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-0.541) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0295 (180deg=-0.309) USER MOD Single : A 64 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.3!) USER MOD Single : A 70 HIS : no HE2:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 71 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.0016) USER MOD Single : A 72 SER OG : rot 85:sc= -0.966 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 80 MET CE :methyl -156:sc= -0.0987 (180deg=-1.13) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= -0.0676 (180deg=-0.688) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 90 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.97) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -2.42! C(o=-2.4!,f=-11!) USER MOD Single : A 99 ASN : amide:sc= -0.73 X(o=-0.73,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-1.23!) USER MOD Single : A 101 SER OG : rot 180:sc= -1.84 USER MOD Single : A 102 TYR OH : rot -30:sc= -2.04! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.09! K(o=-1.1!,f=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 95.644 16.010 14.691 1.00 0.00 N ATOM 2 CA MET A 0 96.352 16.767 13.620 1.00 0.00 C ATOM 3 C MET A 0 97.224 15.806 12.808 1.00 0.00 C ATOM 4 O MET A 0 96.733 15.014 12.029 1.00 0.00 O ATOM 5 CB MET A 0 97.233 17.844 14.254 1.00 0.00 C ATOM 6 CG MET A 0 96.349 18.935 14.861 1.00 0.00 C ATOM 7 SD MET A 0 97.384 20.126 15.749 1.00 0.00 S ATOM 8 CE MET A 0 96.080 21.324 16.124 1.00 0.00 C ATOM 0 H1 MET A 0 94.821 16.556 15.016 1.00 0.00 H new ATOM 0 H2 MET A 0 95.325 15.094 14.316 1.00 0.00 H new ATOM 0 H3 MET A 0 96.291 15.851 15.490 1.00 0.00 H new ATOM 0 HA MET A 0 95.621 17.237 12.963 1.00 0.00 H new ATOM 0 HB2 MET A 0 97.866 17.404 15.024 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.896 18.274 13.504 1.00 0.00 H new ATOM 0 HG2 MET A 0 95.786 19.440 14.076 1.00 0.00 H new ATOM 0 HG3 MET A 0 95.621 18.492 15.541 1.00 0.00 H new ATOM 0 HE1 MET A 0 96.503 22.160 16.680 1.00 0.00 H new ATOM 0 HE2 MET A 0 95.644 21.690 15.194 1.00 0.00 H new ATOM 0 HE3 MET A 0 95.306 20.844 16.723 1.00 0.00 H new ATOM 20 N LYS A 1 98.516 15.870 12.984 1.00 0.00 N ATOM 21 CA LYS A 1 99.418 14.961 12.223 1.00 0.00 C ATOM 22 C LYS A 1 99.284 13.536 12.775 1.00 0.00 C ATOM 23 O LYS A 1 99.001 13.348 13.942 1.00 0.00 O ATOM 24 CB LYS A 1 100.864 15.439 12.383 1.00 0.00 C ATOM 25 CG LYS A 1 101.237 15.476 13.874 1.00 0.00 C ATOM 26 CD LYS A 1 102.074 16.724 14.172 1.00 0.00 C ATOM 27 CE LYS A 1 103.394 16.653 13.401 1.00 0.00 C ATOM 28 NZ LYS A 1 104.358 17.633 13.977 1.00 0.00 N ATOM 0 H LYS A 1 98.985 16.513 13.622 1.00 0.00 H new ATOM 0 HA LYS A 1 99.146 14.968 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 1 101.539 14.772 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 1 100.980 16.430 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 1 100.333 15.479 14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 1 101.797 14.580 14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 1 101.523 17.620 13.888 1.00 0.00 H new ATOM 0 HD3 LYS A 1 102.270 16.796 15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 1 103.806 15.645 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 1 103.224 16.870 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 105.256 17.586 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 103.964 18.593 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 104.528 17.406 14.977 1.00 0.00 H new ATOM 42 N PRO A 2 99.487 12.536 11.949 1.00 0.00 N ATOM 43 CA PRO A 2 99.388 11.111 12.377 1.00 0.00 C ATOM 44 C PRO A 2 100.093 10.849 13.712 1.00 0.00 C ATOM 45 O PRO A 2 100.620 11.747 14.339 1.00 0.00 O ATOM 46 CB PRO A 2 100.087 10.345 11.252 1.00 0.00 C ATOM 47 CG PRO A 2 99.926 11.198 10.036 1.00 0.00 C ATOM 48 CD PRO A 2 99.828 12.650 10.518 1.00 0.00 C ATOM 0 HA PRO A 2 98.352 10.812 12.536 1.00 0.00 H new ATOM 0 HB2 PRO A 2 101.140 10.182 11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 2 99.637 9.363 11.106 1.00 0.00 H new ATOM 0 HG2 PRO A 2 100.773 11.072 9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 2 99.032 10.914 9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 2 100.769 13.181 10.374 1.00 0.00 H new ATOM 0 HD3 PRO A 2 99.064 13.201 9.969 1.00 0.00 H new ATOM 56 N LYS A 3 100.114 9.619 14.142 1.00 0.00 N ATOM 57 CA LYS A 3 100.788 9.284 15.422 1.00 0.00 C ATOM 58 C LYS A 3 100.895 7.762 15.537 1.00 0.00 C ATOM 59 O LYS A 3 99.935 7.043 15.346 1.00 0.00 O ATOM 60 CB LYS A 3 99.982 9.852 16.599 1.00 0.00 C ATOM 61 CG LYS A 3 98.880 8.871 17.004 1.00 0.00 C ATOM 62 CD LYS A 3 97.870 9.580 17.909 1.00 0.00 C ATOM 63 CE LYS A 3 96.965 8.542 18.575 1.00 0.00 C ATOM 64 NZ LYS A 3 96.035 9.227 19.518 1.00 0.00 N ATOM 0 H LYS A 3 99.690 8.828 13.657 1.00 0.00 H new ATOM 0 HA LYS A 3 101.786 9.722 15.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 100.643 10.039 17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 3 99.543 10.810 16.320 1.00 0.00 H new ATOM 0 HG2 LYS A 3 98.379 8.484 16.117 1.00 0.00 H new ATOM 0 HG3 LYS A 3 99.313 8.016 17.524 1.00 0.00 H new ATOM 0 HD2 LYS A 3 98.392 10.163 18.668 1.00 0.00 H new ATOM 0 HD3 LYS A 3 97.271 10.279 17.326 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.398 7.999 17.819 1.00 0.00 H new ATOM 0 HE3 LYS A 3 97.568 7.808 19.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.419 8.522 19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 96.585 9.726 20.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.452 9.911 18.995 1.00 0.00 H new ATOM 78 N GLY A 4 102.057 7.267 15.836 1.00 0.00 N ATOM 79 CA GLY A 4 102.229 5.793 15.952 1.00 0.00 C ATOM 80 C GLY A 4 102.237 5.177 14.553 1.00 0.00 C ATOM 81 O GLY A 4 102.409 3.985 14.390 1.00 0.00 O ATOM 0 H GLY A 4 102.899 7.818 16.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 103.161 5.563 16.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 101.421 5.366 16.546 1.00 0.00 H new ATOM 85 N MET A 5 102.052 5.984 13.541 1.00 0.00 N ATOM 86 CA MET A 5 102.045 5.458 12.148 1.00 0.00 C ATOM 87 C MET A 5 102.760 6.448 11.228 1.00 0.00 C ATOM 88 O MET A 5 102.148 7.081 10.391 1.00 0.00 O ATOM 89 CB MET A 5 100.602 5.282 11.668 1.00 0.00 C ATOM 90 CG MET A 5 99.755 4.673 12.784 1.00 0.00 C ATOM 91 SD MET A 5 100.295 2.974 13.095 1.00 0.00 S ATOM 92 CE MET A 5 98.694 2.322 13.631 1.00 0.00 C ATOM 0 H MET A 5 101.905 6.990 13.622 1.00 0.00 H new ATOM 0 HA MET A 5 102.556 4.495 12.126 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.188 6.245 11.370 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.578 4.639 10.788 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.850 5.268 13.692 1.00 0.00 H new ATOM 0 HG3 MET A 5 98.702 4.685 12.503 1.00 0.00 H new ATOM 0 HE1 MET A 5 98.796 1.265 13.878 1.00 0.00 H new ATOM 0 HE2 MET A 5 98.354 2.869 14.510 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.966 2.438 12.828 1.00 0.00 H new ATOM 102 N THR A 6 104.051 6.576 11.365 1.00 0.00 N ATOM 103 CA THR A 6 104.805 7.513 10.484 1.00 0.00 C ATOM 104 C THR A 6 104.317 7.332 9.042 1.00 0.00 C ATOM 105 O THR A 6 103.698 6.343 8.709 1.00 0.00 O ATOM 106 CB THR A 6 106.305 7.196 10.580 1.00 0.00 C ATOM 107 OG1 THR A 6 106.850 7.858 11.713 1.00 0.00 O ATOM 108 CG2 THR A 6 107.033 7.672 9.320 1.00 0.00 C ATOM 0 H THR A 6 104.617 6.073 12.049 1.00 0.00 H new ATOM 0 HA THR A 6 104.640 8.545 10.795 1.00 0.00 H new ATOM 0 HB THR A 6 106.434 6.118 10.677 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.034 8.794 11.488 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.095 7.440 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.619 7.167 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.904 8.749 9.210 1.00 0.00 H new ATOM 116 N SER A 7 104.586 8.273 8.183 1.00 0.00 N ATOM 117 CA SER A 7 104.130 8.135 6.771 1.00 0.00 C ATOM 118 C SER A 7 104.504 6.741 6.259 1.00 0.00 C ATOM 119 O SER A 7 103.659 5.970 5.849 1.00 0.00 O ATOM 120 CB SER A 7 104.811 9.199 5.910 1.00 0.00 C ATOM 121 OG SER A 7 104.142 9.289 4.659 1.00 0.00 O ATOM 0 H SER A 7 105.099 9.129 8.395 1.00 0.00 H new ATOM 0 HA SER A 7 103.049 8.267 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.789 10.163 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.860 8.943 5.757 1.00 0.00 H new ATOM 0 HG SER A 7 103.657 10.139 4.608 1.00 0.00 H new ATOM 127 N SER A 8 105.766 6.413 6.288 1.00 0.00 N ATOM 128 CA SER A 8 106.205 5.069 5.814 1.00 0.00 C ATOM 129 C SER A 8 105.555 3.983 6.660 1.00 0.00 C ATOM 130 O SER A 8 105.303 2.894 6.191 1.00 0.00 O ATOM 131 CB SER A 8 107.720 4.959 5.932 1.00 0.00 C ATOM 132 OG SER A 8 108.325 5.772 4.935 1.00 0.00 O ATOM 0 H SER A 8 106.515 7.020 6.621 1.00 0.00 H new ATOM 0 HA SER A 8 105.906 4.942 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.044 5.276 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.032 3.922 5.812 1.00 0.00 H new ATOM 0 HG SER A 8 107.686 6.451 4.634 1.00 0.00 H new ATOM 138 N GLN A 9 105.282 4.260 7.900 1.00 0.00 N ATOM 139 CA GLN A 9 104.646 3.223 8.754 1.00 0.00 C ATOM 140 C GLN A 9 103.233 2.947 8.236 1.00 0.00 C ATOM 141 O GLN A 9 102.860 1.820 8.006 1.00 0.00 O ATOM 142 CB GLN A 9 104.588 3.714 10.197 1.00 0.00 C ATOM 143 CG GLN A 9 105.920 3.421 10.890 1.00 0.00 C ATOM 144 CD GLN A 9 105.944 1.967 11.368 1.00 0.00 C ATOM 145 OE1 GLN A 9 106.867 1.234 11.074 1.00 0.00 O ATOM 146 NE2 GLN A 9 104.960 1.516 12.097 1.00 0.00 N ATOM 0 H GLN A 9 105.469 5.152 8.358 1.00 0.00 H new ATOM 0 HA GLN A 9 105.231 2.304 8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.382 4.784 10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.774 3.221 10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.746 3.602 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.057 4.094 11.736 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.185 2.131 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 9 104.966 0.548 12.420 1.00 0.00 H new ATOM 155 N TRP A 10 102.447 3.966 8.038 1.00 0.00 N ATOM 156 CA TRP A 10 101.069 3.744 7.521 1.00 0.00 C ATOM 157 C TRP A 10 101.163 3.022 6.175 1.00 0.00 C ATOM 158 O TRP A 10 100.357 2.175 5.838 1.00 0.00 O ATOM 159 CB TRP A 10 100.370 5.107 7.360 1.00 0.00 C ATOM 160 CG TRP A 10 99.433 5.102 6.186 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.373 6.074 5.246 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.424 4.114 5.814 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.396 5.747 4.323 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.784 4.549 4.628 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.006 2.896 6.380 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.768 3.801 4.030 1.00 0.00 C ATOM 167 CZ3 TRP A 10 96.985 2.145 5.776 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.373 2.599 4.607 1.00 0.00 C ATOM 0 H TRP A 10 102.697 4.940 8.211 1.00 0.00 H new ATOM 0 HA TRP A 10 100.489 3.133 8.213 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.817 5.345 8.269 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.118 5.889 7.228 1.00 0.00 H new ATOM 0 HD1 TRP A 10 99.988 6.961 5.221 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.157 6.322 3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.473 2.536 7.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.293 4.153 3.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.672 1.211 6.218 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.589 2.014 4.148 1.00 0.00 H new ATOM 179 N PHE A 11 102.150 3.355 5.405 1.00 0.00 N ATOM 180 CA PHE A 11 102.306 2.708 4.074 1.00 0.00 C ATOM 181 C PHE A 11 102.963 1.336 4.211 1.00 0.00 C ATOM 182 O PHE A 11 102.988 0.571 3.277 1.00 0.00 O ATOM 183 CB PHE A 11 103.136 3.603 3.148 1.00 0.00 C ATOM 184 CG PHE A 11 102.283 4.001 1.968 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.396 5.074 2.084 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.366 3.286 0.767 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.591 5.438 1.002 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.563 3.651 -0.318 1.00 0.00 C ATOM 189 CZ PHE A 11 100.673 4.727 -0.201 1.00 0.00 C ATOM 0 H PHE A 11 102.860 4.049 5.636 1.00 0.00 H new ATOM 0 HA PHE A 11 101.316 2.570 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.476 4.489 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.027 3.074 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.333 5.623 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.049 2.454 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 11 99.906 6.268 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.629 3.103 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.051 5.007 -1.038 1.00 0.00 H new ATOM 199 N LYS A 12 103.476 0.996 5.358 1.00 0.00 N ATOM 200 CA LYS A 12 104.082 -0.356 5.499 1.00 0.00 C ATOM 201 C LYS A 12 102.957 -1.308 5.893 1.00 0.00 C ATOM 202 O LYS A 12 102.963 -2.473 5.590 1.00 0.00 O ATOM 203 CB LYS A 12 105.212 -0.343 6.548 1.00 0.00 C ATOM 204 CG LYS A 12 104.656 -0.496 7.976 1.00 0.00 C ATOM 205 CD LYS A 12 104.595 -1.975 8.383 1.00 0.00 C ATOM 206 CE LYS A 12 104.646 -2.089 9.908 1.00 0.00 C ATOM 207 NZ LYS A 12 104.311 -3.483 10.314 1.00 0.00 N ATOM 0 H LYS A 12 103.503 1.583 6.191 1.00 0.00 H new ATOM 0 HA LYS A 12 104.538 -0.680 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.912 -1.152 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.771 0.590 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.285 0.053 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.660 -0.058 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.679 -2.430 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.428 -2.520 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 12 105.639 -1.822 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 12 103.943 -1.389 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.346 -3.561 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.355 -3.721 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 104.998 -4.141 9.894 1.00 0.00 H new ATOM 221 N ILE A 13 101.954 -0.799 6.518 1.00 0.00 N ATOM 222 CA ILE A 13 100.803 -1.662 6.878 1.00 0.00 C ATOM 223 C ILE A 13 99.909 -1.725 5.648 1.00 0.00 C ATOM 224 O ILE A 13 99.091 -2.609 5.492 1.00 0.00 O ATOM 225 CB ILE A 13 100.043 -1.072 8.078 1.00 0.00 C ATOM 226 CG1 ILE A 13 99.997 0.460 7.964 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.753 -1.480 9.376 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.748 1.102 9.338 1.00 0.00 C ATOM 0 H ILE A 13 101.874 0.178 6.799 1.00 0.00 H new ATOM 0 HA ILE A 13 101.133 -2.659 7.170 1.00 0.00 H new ATOM 0 HB ILE A 13 99.022 -1.455 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.937 0.827 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.208 0.754 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.218 -1.064 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.772 -2.567 9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.774 -1.099 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.719 2.187 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.796 0.751 9.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.552 0.825 10.020 1.00 0.00 H new ATOM 240 N GLN A 14 100.084 -0.777 4.765 1.00 0.00 N ATOM 241 CA GLN A 14 99.282 -0.733 3.515 1.00 0.00 C ATOM 242 C GLN A 14 100.120 -1.263 2.331 1.00 0.00 C ATOM 243 O GLN A 14 99.605 -1.479 1.252 1.00 0.00 O ATOM 244 CB GLN A 14 98.857 0.733 3.267 1.00 0.00 C ATOM 245 CG GLN A 14 99.408 1.230 1.939 1.00 0.00 C ATOM 246 CD GLN A 14 99.047 2.704 1.749 1.00 0.00 C ATOM 247 OE1 GLN A 14 98.539 3.089 0.714 1.00 0.00 O ATOM 248 NE2 GLN A 14 99.288 3.552 2.710 1.00 0.00 N ATOM 0 H GLN A 14 100.761 -0.021 4.863 1.00 0.00 H new ATOM 0 HA GLN A 14 98.397 -1.363 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.770 0.808 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.220 1.365 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.491 1.105 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.000 0.637 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 14 99.714 3.230 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 14 99.050 4.537 2.593 1.00 0.00 H new ATOM 257 N HIS A 15 101.410 -1.430 2.501 1.00 0.00 N ATOM 258 CA HIS A 15 102.255 -1.885 1.351 1.00 0.00 C ATOM 259 C HIS A 15 103.478 -2.693 1.823 1.00 0.00 C ATOM 260 O HIS A 15 104.457 -2.800 1.110 1.00 0.00 O ATOM 261 CB HIS A 15 102.752 -0.635 0.608 1.00 0.00 C ATOM 262 CG HIS A 15 102.171 -0.584 -0.777 1.00 0.00 C ATOM 263 ND1 HIS A 15 102.905 -0.934 -1.900 1.00 0.00 N ATOM 264 CD2 HIS A 15 100.933 -0.215 -1.234 1.00 0.00 C ATOM 265 CE1 HIS A 15 102.108 -0.768 -2.971 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.897 -0.332 -2.619 1.00 0.00 N ATOM 0 H HIS A 15 101.910 -1.273 3.376 1.00 0.00 H new ATOM 0 HA HIS A 15 101.654 -2.529 0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.470 0.261 1.161 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.841 -0.646 0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 15 100.112 0.115 -0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 15 102.411 -0.963 -3.989 1.00 0.00 H new ATOM 0 HE2 HIS A 15 100.111 -0.128 -3.236 1.00 0.00 H new ATOM 275 N MET A 16 103.446 -3.265 2.994 1.00 0.00 N ATOM 276 CA MET A 16 104.633 -4.057 3.459 1.00 0.00 C ATOM 277 C MET A 16 104.405 -5.543 3.190 1.00 0.00 C ATOM 278 O MET A 16 103.415 -6.116 3.598 1.00 0.00 O ATOM 279 CB MET A 16 104.876 -3.848 4.966 1.00 0.00 C ATOM 280 CG MET A 16 103.915 -4.715 5.794 1.00 0.00 C ATOM 281 SD MET A 16 104.599 -6.384 5.973 1.00 0.00 S ATOM 282 CE MET A 16 105.144 -6.234 7.693 1.00 0.00 C ATOM 0 H MET A 16 102.663 -3.223 3.646 1.00 0.00 H new ATOM 0 HA MET A 16 105.508 -3.711 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.907 -4.102 5.212 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.737 -2.797 5.220 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.760 -4.268 6.776 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.941 -4.761 5.308 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.604 -7.169 8.012 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.871 -5.426 7.775 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.286 -6.016 8.329 1.00 0.00 H new ATOM 292 N GLN A 17 105.327 -6.176 2.518 1.00 0.00 N ATOM 293 CA GLN A 17 105.180 -7.628 2.243 1.00 0.00 C ATOM 294 C GLN A 17 106.125 -8.461 3.140 1.00 0.00 C ATOM 295 O GLN A 17 105.977 -9.664 3.220 1.00 0.00 O ATOM 296 CB GLN A 17 105.485 -7.912 0.771 1.00 0.00 C ATOM 297 CG GLN A 17 104.922 -9.286 0.397 1.00 0.00 C ATOM 298 CD GLN A 17 105.789 -9.920 -0.693 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.064 -9.303 -1.703 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.235 -11.135 -0.529 1.00 0.00 N ATOM 0 H GLN A 17 106.176 -5.748 2.148 1.00 0.00 H new ATOM 0 HA GLN A 17 104.152 -7.914 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.043 -7.141 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.561 -7.887 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.897 -9.931 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.895 -9.185 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.004 -11.653 0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.815 -11.567 -1.249 1.00 0.00 H new ATOM 309 N PRO A 18 107.085 -7.860 3.826 1.00 0.00 N ATOM 310 CA PRO A 18 108.006 -8.631 4.706 1.00 0.00 C ATOM 311 C PRO A 18 107.252 -9.680 5.532 1.00 0.00 C ATOM 312 O PRO A 18 107.807 -10.686 5.926 1.00 0.00 O ATOM 313 CB PRO A 18 108.622 -7.562 5.613 1.00 0.00 C ATOM 314 CG PRO A 18 108.600 -6.305 4.806 1.00 0.00 C ATOM 315 CD PRO A 18 107.404 -6.418 3.852 1.00 0.00 C ATOM 0 HA PRO A 18 108.750 -9.190 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.050 -7.449 6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.639 -7.828 5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.500 -5.432 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.530 -6.185 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.557 -5.831 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.654 -6.049 2.857 1.00 0.00 H new ATOM 323 N SER A 19 105.988 -9.449 5.786 1.00 0.00 N ATOM 324 CA SER A 19 105.180 -10.426 6.579 1.00 0.00 C ATOM 325 C SER A 19 103.943 -9.721 7.152 1.00 0.00 C ATOM 326 O SER A 19 103.824 -9.536 8.347 1.00 0.00 O ATOM 327 CB SER A 19 106.026 -10.990 7.728 1.00 0.00 C ATOM 328 OG SER A 19 106.678 -12.175 7.291 1.00 0.00 O ATOM 0 H SER A 19 105.479 -8.621 5.476 1.00 0.00 H new ATOM 0 HA SER A 19 104.867 -11.243 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.762 -10.253 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 19 105.394 -11.205 8.589 1.00 0.00 H new ATOM 0 HG SER A 19 107.349 -11.948 6.613 1.00 0.00 H new ATOM 334 N PRO A 20 103.028 -9.334 6.303 1.00 0.00 N ATOM 335 CA PRO A 20 101.778 -8.643 6.722 1.00 0.00 C ATOM 336 C PRO A 20 100.696 -9.633 7.167 1.00 0.00 C ATOM 337 O PRO A 20 99.768 -9.274 7.860 1.00 0.00 O ATOM 338 CB PRO A 20 101.350 -7.907 5.457 1.00 0.00 C ATOM 339 CG PRO A 20 101.847 -8.752 4.326 1.00 0.00 C ATOM 340 CD PRO A 20 103.082 -9.508 4.842 1.00 0.00 C ATOM 0 HA PRO A 20 101.931 -7.988 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.267 -7.791 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.779 -6.906 5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.077 -9.450 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.104 -8.134 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.048 -10.562 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.002 -9.098 4.426 1.00 0.00 H new ATOM 348 N GLN A 21 100.826 -10.874 6.761 1.00 0.00 N ATOM 349 CA GLN A 21 99.837 -11.943 7.130 1.00 0.00 C ATOM 350 C GLN A 21 98.816 -12.122 6.004 1.00 0.00 C ATOM 351 O GLN A 21 97.623 -12.074 6.223 1.00 0.00 O ATOM 352 CB GLN A 21 99.102 -11.603 8.437 1.00 0.00 C ATOM 353 CG GLN A 21 100.117 -11.240 9.538 1.00 0.00 C ATOM 354 CD GLN A 21 100.055 -12.277 10.663 1.00 0.00 C ATOM 355 OE1 GLN A 21 100.487 -13.400 10.494 1.00 0.00 O ATOM 356 NE2 GLN A 21 99.531 -11.946 11.812 1.00 0.00 N ATOM 0 H GLN A 21 101.594 -11.200 6.175 1.00 0.00 H new ATOM 0 HA GLN A 21 100.390 -12.870 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.419 -10.770 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.498 -12.453 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 21 101.123 -11.203 9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.899 -10.248 9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 21 99.168 -11.003 11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.484 -12.630 12.567 1.00 0.00 H new ATOM 365 N ALA A 22 99.280 -12.338 4.802 1.00 0.00 N ATOM 366 CA ALA A 22 98.347 -12.532 3.655 1.00 0.00 C ATOM 367 C ALA A 22 97.742 -11.199 3.249 1.00 0.00 C ATOM 368 O ALA A 22 97.249 -10.454 4.073 1.00 0.00 O ATOM 369 CB ALA A 22 97.208 -13.479 4.051 1.00 0.00 C ATOM 0 H ALA A 22 100.271 -12.389 4.565 1.00 0.00 H new ATOM 0 HA ALA A 22 98.910 -12.958 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.534 -13.612 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.622 -14.445 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.657 -13.054 4.890 1.00 0.00 H new ATOM 375 N CYS A 23 97.744 -10.900 1.986 1.00 0.00 N ATOM 376 CA CYS A 23 97.133 -9.628 1.549 1.00 0.00 C ATOM 377 C CYS A 23 95.711 -9.592 2.063 1.00 0.00 C ATOM 378 O CYS A 23 95.162 -8.553 2.328 1.00 0.00 O ATOM 379 CB CYS A 23 97.101 -9.553 0.041 1.00 0.00 C ATOM 380 SG CYS A 23 98.775 -9.757 -0.610 1.00 0.00 S ATOM 0 H CYS A 23 98.140 -11.478 1.244 1.00 0.00 H new ATOM 0 HA CYS A 23 97.715 -8.791 1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.447 -10.329 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.690 -8.595 -0.277 1.00 0.00 H new ATOM 385 N ASN A 24 95.102 -10.725 2.207 1.00 0.00 N ATOM 386 CA ASN A 24 93.714 -10.728 2.722 1.00 0.00 C ATOM 387 C ASN A 24 93.696 -9.950 4.042 1.00 0.00 C ATOM 388 O ASN A 24 92.900 -9.058 4.237 1.00 0.00 O ATOM 389 CB ASN A 24 93.249 -12.169 2.953 1.00 0.00 C ATOM 390 CG ASN A 24 91.962 -12.169 3.782 1.00 0.00 C ATOM 391 OD1 ASN A 24 91.640 -13.149 4.425 1.00 0.00 O ATOM 392 ND2 ASN A 24 91.208 -11.104 3.795 1.00 0.00 N ATOM 0 H ASN A 24 95.498 -11.640 1.994 1.00 0.00 H new ATOM 0 HA ASN A 24 93.041 -10.262 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.077 -12.664 1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 24 94.025 -12.734 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.349 -11.094 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 24 91.478 -10.281 3.256 1.00 0.00 H new ATOM 399 N SER A 25 94.586 -10.270 4.943 1.00 0.00 N ATOM 400 CA SER A 25 94.625 -9.546 6.250 1.00 0.00 C ATOM 401 C SER A 25 95.348 -8.205 6.080 1.00 0.00 C ATOM 402 O SER A 25 94.993 -7.206 6.680 1.00 0.00 O ATOM 403 CB SER A 25 95.368 -10.398 7.280 1.00 0.00 C ATOM 404 OG SER A 25 95.000 -9.979 8.588 1.00 0.00 O ATOM 0 H SER A 25 95.288 -11.001 4.832 1.00 0.00 H new ATOM 0 HA SER A 25 93.606 -9.364 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 25 95.125 -11.451 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.445 -10.298 7.143 1.00 0.00 H new ATOM 0 HG SER A 25 95.473 -10.524 9.251 1.00 0.00 H new ATOM 410 N ALA A 26 96.356 -8.175 5.258 1.00 0.00 N ATOM 411 CA ALA A 26 97.104 -6.908 5.031 1.00 0.00 C ATOM 412 C ALA A 26 96.141 -5.863 4.505 1.00 0.00 C ATOM 413 O ALA A 26 96.202 -4.701 4.851 1.00 0.00 O ATOM 414 CB ALA A 26 98.188 -7.156 3.993 1.00 0.00 C ATOM 0 H ALA A 26 96.697 -8.978 4.730 1.00 0.00 H new ATOM 0 HA ALA A 26 97.555 -6.564 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.743 -6.234 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.869 -7.926 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.730 -7.486 3.060 1.00 0.00 H new ATOM 420 N MET A 27 95.253 -6.283 3.664 1.00 0.00 N ATOM 421 CA MET A 27 94.270 -5.349 3.088 1.00 0.00 C ATOM 422 C MET A 27 93.173 -5.096 4.119 1.00 0.00 C ATOM 423 O MET A 27 92.523 -4.069 4.113 1.00 0.00 O ATOM 424 CB MET A 27 93.675 -5.974 1.828 1.00 0.00 C ATOM 425 CG MET A 27 92.934 -4.917 0.993 1.00 0.00 C ATOM 426 SD MET A 27 93.662 -3.275 1.211 1.00 0.00 S ATOM 427 CE MET A 27 92.182 -2.320 0.792 1.00 0.00 C ATOM 0 H MET A 27 95.167 -7.249 3.347 1.00 0.00 H new ATOM 0 HA MET A 27 94.745 -4.403 2.828 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.468 -6.425 1.231 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.988 -6.774 2.103 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.967 -5.195 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.884 -4.893 1.283 1.00 0.00 H new ATOM 0 HE1 MET A 27 92.455 -1.276 0.636 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.737 -2.719 -0.119 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.462 -2.389 1.607 1.00 0.00 H new ATOM 437 N LYS A 28 92.967 -6.029 5.009 1.00 0.00 N ATOM 438 CA LYS A 28 91.913 -5.842 6.047 1.00 0.00 C ATOM 439 C LYS A 28 92.262 -4.642 6.928 1.00 0.00 C ATOM 440 O LYS A 28 91.391 -3.942 7.403 1.00 0.00 O ATOM 441 CB LYS A 28 91.811 -7.094 6.923 1.00 0.00 C ATOM 442 CG LYS A 28 91.050 -8.196 6.177 1.00 0.00 C ATOM 443 CD LYS A 28 89.575 -7.803 5.984 1.00 0.00 C ATOM 444 CE LYS A 28 89.279 -7.651 4.487 1.00 0.00 C ATOM 445 NZ LYS A 28 87.819 -7.425 4.288 1.00 0.00 N ATOM 0 H LYS A 28 93.480 -6.909 5.062 1.00 0.00 H new ATOM 0 HA LYS A 28 90.958 -5.668 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.808 -7.445 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.299 -6.855 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.514 -8.373 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.113 -9.130 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.925 -8.562 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.365 -6.868 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.846 -6.816 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.596 -8.545 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.663 -6.948 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.323 -8.339 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.452 -6.830 5.058 1.00 0.00 H new ATOM 459 N ASN A 29 93.522 -4.389 7.152 1.00 0.00 N ATOM 460 CA ASN A 29 93.885 -3.219 8.007 1.00 0.00 C ATOM 461 C ASN A 29 93.611 -1.936 7.221 1.00 0.00 C ATOM 462 O ASN A 29 93.483 -0.855 7.767 1.00 0.00 O ATOM 463 CB ASN A 29 95.370 -3.292 8.370 1.00 0.00 C ATOM 464 CG ASN A 29 95.692 -2.230 9.423 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.335 -2.373 10.576 1.00 0.00 O ATOM 466 ND2 ASN A 29 96.356 -1.162 9.074 1.00 0.00 N ATOM 0 H ASN A 29 94.306 -4.930 6.788 1.00 0.00 H new ATOM 0 HA ASN A 29 93.294 -3.228 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.613 -4.283 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 29 95.981 -3.134 7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 96.575 -0.448 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.656 -1.041 8.107 1.00 0.00 H new ATOM 473 N ILE A 30 93.523 -2.058 5.933 1.00 0.00 N ATOM 474 CA ILE A 30 93.271 -0.872 5.074 1.00 0.00 C ATOM 475 C ILE A 30 91.766 -0.649 4.959 1.00 0.00 C ATOM 476 O ILE A 30 91.301 0.466 4.878 1.00 0.00 O ATOM 477 CB ILE A 30 93.860 -1.143 3.688 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.059 -2.090 3.834 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.300 0.168 3.017 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.097 -1.493 4.785 1.00 0.00 C ATOM 0 H ILE A 30 93.616 -2.940 5.430 1.00 0.00 H new ATOM 0 HA ILE A 30 93.733 0.016 5.506 1.00 0.00 H new ATOM 0 HB ILE A 30 93.099 -1.604 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 30 94.724 -3.056 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.511 -2.268 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.716 -0.049 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.440 0.829 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 30 95.057 0.655 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 30 96.941 -2.177 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 30 96.445 -0.538 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 30 95.646 -1.338 5.765 1.00 0.00 H new ATOM 492 N ASN A 31 90.999 -1.703 4.956 1.00 0.00 N ATOM 493 CA ASN A 31 89.525 -1.541 4.857 1.00 0.00 C ATOM 494 C ASN A 31 89.023 -0.935 6.165 1.00 0.00 C ATOM 495 O ASN A 31 87.963 -0.345 6.227 1.00 0.00 O ATOM 496 CB ASN A 31 88.873 -2.911 4.613 1.00 0.00 C ATOM 497 CG ASN A 31 88.330 -3.488 5.925 1.00 0.00 C ATOM 498 OD1 ASN A 31 87.213 -3.963 5.976 1.00 0.00 O ATOM 499 ND2 ASN A 31 89.079 -3.467 6.993 1.00 0.00 N ATOM 0 H ASN A 31 91.329 -2.666 5.018 1.00 0.00 H new ATOM 0 HA ASN A 31 89.266 -0.885 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.063 -2.812 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.603 -3.596 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 31 88.727 -3.849 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 31 90.017 -3.068 6.950 1.00 0.00 H new ATOM 506 N LYS A 32 89.790 -1.067 7.213 1.00 0.00 N ATOM 507 CA LYS A 32 89.371 -0.490 8.516 1.00 0.00 C ATOM 508 C LYS A 32 89.822 0.970 8.567 1.00 0.00 C ATOM 509 O LYS A 32 89.153 1.818 9.123 1.00 0.00 O ATOM 510 CB LYS A 32 89.986 -1.308 9.669 1.00 0.00 C ATOM 511 CG LYS A 32 91.398 -0.808 10.018 1.00 0.00 C ATOM 512 CD LYS A 32 91.322 0.247 11.132 1.00 0.00 C ATOM 513 CE LYS A 32 91.335 -0.444 12.498 1.00 0.00 C ATOM 514 NZ LYS A 32 92.717 -0.908 12.807 1.00 0.00 N ATOM 0 H LYS A 32 90.688 -1.550 7.220 1.00 0.00 H new ATOM 0 HA LYS A 32 88.287 -0.530 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.346 -1.239 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.030 -2.360 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.019 -1.644 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.870 -0.381 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.164 0.934 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 32 90.415 0.841 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 32 90.990 0.245 13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.648 -1.290 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.811 -1.062 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.905 -1.799 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.402 -0.187 12.501 1.00 0.00 H new ATOM 528 N HIS A 33 90.952 1.272 7.981 1.00 0.00 N ATOM 529 CA HIS A 33 91.438 2.680 7.991 1.00 0.00 C ATOM 530 C HIS A 33 90.827 3.442 6.811 1.00 0.00 C ATOM 531 O HIS A 33 90.887 4.654 6.746 1.00 0.00 O ATOM 532 CB HIS A 33 92.965 2.687 7.877 1.00 0.00 C ATOM 533 CG HIS A 33 93.575 2.469 9.235 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.402 3.370 10.278 1.00 0.00 N ATOM 535 CD2 HIS A 33 94.360 1.460 9.738 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.068 2.889 11.344 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.667 1.730 11.067 1.00 0.00 N ATOM 0 H HIS A 33 91.555 0.606 7.498 1.00 0.00 H new ATOM 0 HA HIS A 33 91.141 3.164 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.292 1.906 7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.304 3.637 7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 33 94.688 0.591 9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.112 3.381 12.305 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.232 1.161 11.698 1.00 0.00 H new ATOM 546 N THR A 34 90.235 2.739 5.884 1.00 0.00 N ATOM 547 CA THR A 34 89.610 3.409 4.705 1.00 0.00 C ATOM 548 C THR A 34 88.108 3.136 4.718 1.00 0.00 C ATOM 549 O THR A 34 87.361 3.670 3.922 1.00 0.00 O ATOM 550 CB THR A 34 90.207 2.843 3.412 1.00 0.00 C ATOM 551 OG1 THR A 34 89.860 1.470 3.296 1.00 0.00 O ATOM 552 CG2 THR A 34 91.729 2.985 3.436 1.00 0.00 C ATOM 0 H THR A 34 90.156 1.722 5.892 1.00 0.00 H new ATOM 0 HA THR A 34 89.799 4.481 4.754 1.00 0.00 H new ATOM 0 HB THR A 34 89.811 3.395 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.612 0.916 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.147 2.581 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.995 4.038 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.132 2.437 4.288 1.00 0.00 H new ATOM 560 N LYS A 35 87.659 2.300 5.613 1.00 0.00 N ATOM 561 CA LYS A 35 86.202 1.988 5.670 1.00 0.00 C ATOM 562 C LYS A 35 85.729 1.525 4.288 1.00 0.00 C ATOM 563 O LYS A 35 84.588 1.712 3.915 1.00 0.00 O ATOM 564 CB LYS A 35 85.425 3.242 6.081 1.00 0.00 C ATOM 565 CG LYS A 35 86.132 3.921 7.257 1.00 0.00 C ATOM 566 CD LYS A 35 86.226 2.945 8.433 1.00 0.00 C ATOM 567 CE LYS A 35 86.549 3.717 9.714 1.00 0.00 C ATOM 568 NZ LYS A 35 86.573 2.775 10.868 1.00 0.00 N ATOM 0 H LYS A 35 88.235 1.821 6.305 1.00 0.00 H new ATOM 0 HA LYS A 35 86.027 1.198 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.354 3.931 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.406 2.975 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.130 4.243 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.585 4.815 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.285 2.406 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.998 2.200 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 87.513 4.216 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 85.803 4.494 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 86.792 3.299 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.643 2.319 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.300 2.049 10.708 1.00 0.00 H new ATOM 582 N ARG A 36 86.603 0.926 3.526 1.00 0.00 N ATOM 583 CA ARG A 36 86.223 0.451 2.165 1.00 0.00 C ATOM 584 C ARG A 36 87.367 -0.400 1.613 1.00 0.00 C ATOM 585 O ARG A 36 88.518 -0.176 1.933 1.00 0.00 O ATOM 586 CB ARG A 36 85.984 1.664 1.257 1.00 0.00 C ATOM 587 CG ARG A 36 86.226 1.288 -0.210 1.00 0.00 C ATOM 588 CD ARG A 36 85.081 0.426 -0.734 1.00 0.00 C ATOM 589 NE ARG A 36 83.779 1.092 -0.450 1.00 0.00 N ATOM 590 CZ ARG A 36 83.369 2.074 -1.206 1.00 0.00 C ATOM 591 NH1 ARG A 36 84.100 2.472 -2.211 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.228 2.657 -0.958 1.00 0.00 N ATOM 0 H ARG A 36 87.571 0.744 3.790 1.00 0.00 H new ATOM 0 HA ARG A 36 85.311 -0.144 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.963 2.025 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.649 2.479 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.315 2.191 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.168 0.748 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.193 0.269 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 36 85.108 -0.557 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 36 83.208 0.781 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.991 2.016 -2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.780 3.239 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.656 2.345 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.908 3.424 -1.549 1.00 0.00 H new ATOM 606 N CYS A 37 87.079 -1.368 0.779 1.00 0.00 N ATOM 607 CA CYS A 37 88.176 -2.196 0.223 1.00 0.00 C ATOM 608 C CYS A 37 88.644 -1.599 -1.104 1.00 0.00 C ATOM 609 O CYS A 37 88.047 -1.813 -2.140 1.00 0.00 O ATOM 610 CB CYS A 37 87.676 -3.620 0.009 1.00 0.00 C ATOM 611 SG CYS A 37 88.197 -4.643 1.411 1.00 0.00 S ATOM 0 H CYS A 37 86.140 -1.614 0.466 1.00 0.00 H new ATOM 0 HA CYS A 37 89.014 -2.212 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.590 -3.628 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.076 -4.024 -0.921 1.00 0.00 H new ATOM 616 N LYS A 38 89.705 -0.842 -1.062 1.00 0.00 N ATOM 617 CA LYS A 38 90.251 -0.200 -2.297 1.00 0.00 C ATOM 618 C LYS A 38 90.120 -1.127 -3.517 1.00 0.00 C ATOM 619 O LYS A 38 90.273 -0.687 -4.637 1.00 0.00 O ATOM 620 CB LYS A 38 91.732 0.134 -2.071 1.00 0.00 C ATOM 621 CG LYS A 38 91.856 1.539 -1.474 1.00 0.00 C ATOM 622 CD LYS A 38 93.246 1.714 -0.859 1.00 0.00 C ATOM 623 CE LYS A 38 93.535 3.203 -0.658 1.00 0.00 C ATOM 624 NZ LYS A 38 93.602 3.879 -1.985 1.00 0.00 N ATOM 0 H LYS A 38 90.228 -0.636 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 38 89.679 0.706 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.182 -0.598 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.276 0.079 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.692 2.290 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 91.089 1.691 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 38 93.301 1.191 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 38 94.001 1.271 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 38 92.755 3.656 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 38 94.476 3.333 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 94.229 4.706 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 93.974 3.216 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 92.649 4.188 -2.266 1.00 0.00 H new ATOM 638 N ASP A 39 89.842 -2.396 -3.325 1.00 0.00 N ATOM 639 CA ASP A 39 89.704 -3.320 -4.491 1.00 0.00 C ATOM 640 C ASP A 39 91.089 -3.762 -4.973 1.00 0.00 C ATOM 641 O ASP A 39 91.244 -4.822 -5.543 1.00 0.00 O ATOM 642 CB ASP A 39 88.955 -2.631 -5.641 1.00 0.00 C ATOM 643 CG ASP A 39 87.866 -1.716 -5.074 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.003 -2.219 -4.374 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.915 -0.529 -5.350 1.00 0.00 O ATOM 0 H ASP A 39 89.705 -2.829 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 39 89.133 -4.193 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 39 89.652 -2.051 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.510 -3.379 -6.297 1.00 0.00 H new ATOM 650 N LEU A 40 92.100 -2.962 -4.753 1.00 0.00 N ATOM 651 CA LEU A 40 93.468 -3.353 -5.209 1.00 0.00 C ATOM 652 C LEU A 40 94.517 -2.768 -4.254 1.00 0.00 C ATOM 653 O LEU A 40 94.420 -1.635 -3.826 1.00 0.00 O ATOM 654 CB LEU A 40 93.701 -2.813 -6.635 1.00 0.00 C ATOM 655 CG LEU A 40 94.100 -3.939 -7.605 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.407 -4.610 -7.154 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.975 -4.977 -7.683 1.00 0.00 C ATOM 0 H LEU A 40 92.039 -2.060 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 40 93.557 -4.439 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.794 -2.326 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.483 -2.054 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 40 94.262 -3.507 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.670 -5.403 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.206 -3.869 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.274 -5.035 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.261 -5.773 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.800 -5.399 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.063 -4.499 -8.041 1.00 0.00 H new ATOM 669 N ASN A 41 95.523 -3.535 -3.925 1.00 0.00 N ATOM 670 CA ASN A 41 96.587 -3.036 -3.006 1.00 0.00 C ATOM 671 C ASN A 41 97.894 -3.768 -3.306 1.00 0.00 C ATOM 672 O ASN A 41 97.941 -4.980 -3.349 1.00 0.00 O ATOM 673 CB ASN A 41 96.177 -3.292 -1.557 1.00 0.00 C ATOM 674 CG ASN A 41 94.976 -2.412 -1.212 1.00 0.00 C ATOM 675 OD1 ASN A 41 95.108 -1.434 -0.504 1.00 0.00 O ATOM 676 ND2 ASN A 41 93.800 -2.721 -1.686 1.00 0.00 N ATOM 0 H ASN A 41 95.654 -4.491 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 41 96.725 -1.965 -3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.925 -4.343 -1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.008 -3.073 -0.887 1.00 0.00 H new ATOM 0 HD21 ASN A 41 92.991 -2.141 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 41 93.690 -3.542 -2.281 1.00 0.00 H new ATOM 683 N THR A 42 98.954 -3.040 -3.522 1.00 0.00 N ATOM 684 CA THR A 42 100.262 -3.689 -3.828 1.00 0.00 C ATOM 685 C THR A 42 101.171 -3.614 -2.601 1.00 0.00 C ATOM 686 O THR A 42 101.053 -2.732 -1.777 1.00 0.00 O ATOM 687 CB THR A 42 100.929 -2.965 -5.007 1.00 0.00 C ATOM 688 OG1 THR A 42 100.460 -1.626 -5.061 1.00 0.00 O ATOM 689 CG2 THR A 42 100.593 -3.673 -6.325 1.00 0.00 C ATOM 0 H THR A 42 98.972 -2.020 -3.500 1.00 0.00 H new ATOM 0 HA THR A 42 100.096 -4.734 -4.090 1.00 0.00 H new ATOM 0 HB THR A 42 102.010 -2.976 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.885 -1.161 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.072 -3.149 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.954 -4.701 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.513 -3.673 -6.473 1.00 0.00 H new ATOM 697 N PHE A 43 102.077 -4.542 -2.482 1.00 0.00 N ATOM 698 CA PHE A 43 103.013 -4.545 -1.322 1.00 0.00 C ATOM 699 C PHE A 43 104.423 -4.849 -1.849 1.00 0.00 C ATOM 700 O PHE A 43 104.579 -5.388 -2.923 1.00 0.00 O ATOM 701 CB PHE A 43 102.576 -5.621 -0.317 1.00 0.00 C ATOM 702 CG PHE A 43 101.214 -5.273 0.260 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.064 -5.372 -0.536 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.101 -4.856 1.595 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.809 -5.054 0.002 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.845 -4.538 2.130 1.00 0.00 C ATOM 707 CZ PHE A 43 98.701 -4.637 1.333 1.00 0.00 C ATOM 0 H PHE A 43 102.211 -5.306 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 43 103.007 -3.578 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.534 -6.593 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.310 -5.700 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.145 -5.693 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.984 -4.780 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.924 -5.131 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.761 -4.217 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.733 -4.391 1.745 1.00 0.00 H new ATOM 717 N LEU A 44 105.450 -4.509 -1.109 1.00 0.00 N ATOM 718 CA LEU A 44 106.847 -4.784 -1.579 1.00 0.00 C ATOM 719 C LEU A 44 107.518 -5.716 -0.561 1.00 0.00 C ATOM 720 O LEU A 44 107.155 -5.719 0.598 1.00 0.00 O ATOM 721 CB LEU A 44 107.625 -3.460 -1.710 1.00 0.00 C ATOM 722 CG LEU A 44 106.878 -2.514 -2.664 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.673 -1.215 -2.855 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.710 -3.196 -4.018 1.00 0.00 C ATOM 0 H LEU A 44 105.383 -4.053 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 44 106.836 -5.262 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.735 -2.993 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.630 -3.653 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 44 105.903 -2.278 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.133 -0.554 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.800 -0.721 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.651 -1.446 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.181 -2.529 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.691 -3.432 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.138 -4.116 -3.894 1.00 0.00 H new ATOM 736 N HIS A 45 108.472 -6.527 -0.971 1.00 0.00 N ATOM 737 CA HIS A 45 109.110 -7.467 0.018 1.00 0.00 C ATOM 738 C HIS A 45 110.543 -7.054 0.311 1.00 0.00 C ATOM 739 O HIS A 45 111.488 -7.730 -0.044 1.00 0.00 O ATOM 740 CB HIS A 45 109.096 -8.902 -0.519 1.00 0.00 C ATOM 741 CG HIS A 45 109.116 -9.872 0.631 1.00 0.00 C ATOM 742 ND1 HIS A 45 107.968 -10.212 1.333 1.00 0.00 N ATOM 743 CD2 HIS A 45 110.136 -10.583 1.214 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.321 -11.091 2.289 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.630 -11.349 2.258 1.00 0.00 N ATOM 0 H HIS A 45 108.830 -6.580 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 45 108.532 -7.421 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.207 -9.064 -1.129 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.959 -9.068 -1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.171 -10.552 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 45 107.631 -11.532 2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.150 -11.976 2.871 1.00 0.00 H new ATOM 754 N GLU A 46 110.705 -5.959 0.979 1.00 0.00 N ATOM 755 CA GLU A 46 112.066 -5.498 1.331 1.00 0.00 C ATOM 756 C GLU A 46 111.956 -4.663 2.617 1.00 0.00 C ATOM 757 O GLU A 46 111.091 -3.822 2.726 1.00 0.00 O ATOM 758 CB GLU A 46 112.610 -4.661 0.168 1.00 0.00 C ATOM 759 CG GLU A 46 114.071 -4.306 0.425 1.00 0.00 C ATOM 760 CD GLU A 46 114.951 -5.530 0.166 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.672 -6.245 -0.783 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.888 -5.732 0.920 1.00 0.00 O ATOM 0 H GLU A 46 109.947 -5.357 1.300 1.00 0.00 H new ATOM 0 HA GLU A 46 112.748 -6.331 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.520 -5.217 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 46 112.020 -3.752 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.375 -3.484 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.197 -3.966 1.453 1.00 0.00 H new ATOM 769 N PRO A 47 112.788 -4.900 3.606 1.00 0.00 N ATOM 770 CA PRO A 47 112.720 -4.134 4.886 1.00 0.00 C ATOM 771 C PRO A 47 112.741 -2.618 4.663 1.00 0.00 C ATOM 772 O PRO A 47 113.585 -2.095 3.965 1.00 0.00 O ATOM 773 CB PRO A 47 113.965 -4.566 5.659 1.00 0.00 C ATOM 774 CG PRO A 47 114.376 -5.880 5.072 1.00 0.00 C ATOM 775 CD PRO A 47 113.860 -5.911 3.629 1.00 0.00 C ATOM 0 HA PRO A 47 111.789 -4.340 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.761 -3.828 5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.750 -4.664 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.460 -5.990 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.959 -6.706 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.650 -5.669 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.482 -6.898 3.362 1.00 0.00 H new ATOM 783 N PHE A 48 111.818 -1.913 5.256 1.00 0.00 N ATOM 784 CA PHE A 48 111.775 -0.429 5.091 1.00 0.00 C ATOM 785 C PHE A 48 113.172 0.144 5.269 1.00 0.00 C ATOM 786 O PHE A 48 113.454 1.226 4.829 1.00 0.00 O ATOM 787 CB PHE A 48 110.818 0.163 6.117 1.00 0.00 C ATOM 788 CG PHE A 48 109.766 -0.881 6.417 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.188 -1.600 5.360 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.389 -1.156 7.736 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.235 -2.585 5.621 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.434 -2.149 7.997 1.00 0.00 C ATOM 793 CZ PHE A 48 107.857 -2.862 6.938 1.00 0.00 C ATOM 0 H PHE A 48 111.087 -2.301 5.852 1.00 0.00 H new ATOM 0 HA PHE A 48 111.421 -0.176 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.353 0.439 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.356 1.072 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.481 -1.391 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.833 -0.604 8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.789 -3.134 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.143 -2.364 9.015 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.120 -3.626 7.139 1.00 0.00 H new ATOM 803 N SER A 49 114.053 -0.579 5.893 1.00 0.00 N ATOM 804 CA SER A 49 115.438 -0.071 6.059 1.00 0.00 C ATOM 805 C SER A 49 116.164 -0.279 4.734 1.00 0.00 C ATOM 806 O SER A 49 116.993 0.514 4.324 1.00 0.00 O ATOM 807 CB SER A 49 116.147 -0.850 7.168 1.00 0.00 C ATOM 808 OG SER A 49 115.422 -0.705 8.382 1.00 0.00 O ATOM 0 H SER A 49 113.875 -1.499 6.295 1.00 0.00 H new ATOM 0 HA SER A 49 115.431 0.984 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.220 -1.904 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.165 -0.482 7.293 1.00 0.00 H new ATOM 0 HG SER A 49 115.873 -1.205 9.094 1.00 0.00 H new ATOM 814 N SER A 50 115.824 -1.332 4.040 1.00 0.00 N ATOM 815 CA SER A 50 116.454 -1.594 2.725 1.00 0.00 C ATOM 816 C SER A 50 115.651 -0.840 1.678 1.00 0.00 C ATOM 817 O SER A 50 116.194 -0.189 0.816 1.00 0.00 O ATOM 818 CB SER A 50 116.423 -3.089 2.436 1.00 0.00 C ATOM 819 OG SER A 50 116.363 -3.298 1.032 1.00 0.00 O ATOM 0 H SER A 50 115.133 -2.022 4.334 1.00 0.00 H new ATOM 0 HA SER A 50 117.493 -1.265 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 117.311 -3.569 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 50 115.560 -3.546 2.920 1.00 0.00 H new ATOM 0 HG SER A 50 116.758 -4.168 0.814 1.00 0.00 H new ATOM 825 N VAL A 51 114.350 -0.892 1.777 1.00 0.00 N ATOM 826 CA VAL A 51 113.506 -0.132 0.813 1.00 0.00 C ATOM 827 C VAL A 51 113.820 1.340 1.033 1.00 0.00 C ATOM 828 O VAL A 51 113.839 2.137 0.119 1.00 0.00 O ATOM 829 CB VAL A 51 112.015 -0.371 1.096 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.216 -0.310 -0.213 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.824 -1.743 1.742 1.00 0.00 C ATOM 0 H VAL A 51 113.838 -1.425 2.480 1.00 0.00 H new ATOM 0 HA VAL A 51 113.713 -0.448 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 51 111.657 0.404 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.160 -0.481 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.341 0.671 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.579 -1.078 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.765 -1.907 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.191 -2.517 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.380 -1.785 2.679 1.00 0.00 H new ATOM 841 N ALA A 52 114.080 1.692 2.264 1.00 0.00 N ATOM 842 CA ALA A 52 114.414 3.098 2.591 1.00 0.00 C ATOM 843 C ALA A 52 115.642 3.488 1.769 1.00 0.00 C ATOM 844 O ALA A 52 115.651 4.485 1.074 1.00 0.00 O ATOM 845 CB ALA A 52 114.732 3.221 4.084 1.00 0.00 C ATOM 0 H ALA A 52 114.074 1.055 3.061 1.00 0.00 H new ATOM 0 HA ALA A 52 113.574 3.754 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.977 4.257 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.865 2.911 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.581 2.583 4.329 1.00 0.00 H new ATOM 851 N ALA A 53 116.678 2.688 1.834 1.00 0.00 N ATOM 852 CA ALA A 53 117.907 2.989 1.045 1.00 0.00 C ATOM 853 C ALA A 53 117.589 2.844 -0.445 1.00 0.00 C ATOM 854 O ALA A 53 118.081 3.586 -1.270 1.00 0.00 O ATOM 855 CB ALA A 53 119.016 2.008 1.430 1.00 0.00 C ATOM 0 H ALA A 53 116.723 1.841 2.400 1.00 0.00 H new ATOM 0 HA ALA A 53 118.240 4.006 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.914 2.229 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.235 2.106 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.690 0.989 1.219 1.00 0.00 H new ATOM 861 N THR A 54 116.753 1.901 -0.792 1.00 0.00 N ATOM 862 CA THR A 54 116.382 1.716 -2.223 1.00 0.00 C ATOM 863 C THR A 54 115.754 3.014 -2.709 1.00 0.00 C ATOM 864 O THR A 54 115.928 3.432 -3.838 1.00 0.00 O ATOM 865 CB THR A 54 115.351 0.581 -2.339 1.00 0.00 C ATOM 866 OG1 THR A 54 115.904 -0.615 -1.808 1.00 0.00 O ATOM 867 CG2 THR A 54 114.968 0.359 -3.803 1.00 0.00 C ATOM 0 H THR A 54 116.311 1.250 -0.143 1.00 0.00 H new ATOM 0 HA THR A 54 117.260 1.464 -2.818 1.00 0.00 H new ATOM 0 HB THR A 54 114.458 0.856 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.901 -0.570 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 54 114.238 -0.447 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.537 1.274 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.857 0.092 -4.375 1.00 0.00 H new ATOM 875 N CYS A 55 115.024 3.655 -1.846 1.00 0.00 N ATOM 876 CA CYS A 55 114.366 4.921 -2.218 1.00 0.00 C ATOM 877 C CYS A 55 115.408 6.041 -2.256 1.00 0.00 C ATOM 878 O CYS A 55 115.091 7.210 -2.166 1.00 0.00 O ATOM 879 CB CYS A 55 113.297 5.214 -1.172 1.00 0.00 C ATOM 880 SG CYS A 55 112.628 6.871 -1.403 1.00 0.00 S ATOM 0 H CYS A 55 114.856 3.348 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 55 113.907 4.850 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.496 4.478 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.723 5.123 -0.173 1.00 0.00 H new ATOM 885 N GLN A 56 116.658 5.683 -2.389 1.00 0.00 N ATOM 886 CA GLN A 56 117.736 6.711 -2.431 1.00 0.00 C ATOM 887 C GLN A 56 118.232 6.886 -3.870 1.00 0.00 C ATOM 888 O GLN A 56 118.851 7.877 -4.200 1.00 0.00 O ATOM 889 CB GLN A 56 118.900 6.259 -1.545 1.00 0.00 C ATOM 890 CG GLN A 56 119.819 7.448 -1.258 1.00 0.00 C ATOM 891 CD GLN A 56 119.121 8.414 -0.299 1.00 0.00 C ATOM 892 OE1 GLN A 56 118.401 9.296 -0.725 1.00 0.00 O ATOM 893 NE2 GLN A 56 119.304 8.285 0.986 1.00 0.00 N ATOM 0 H GLN A 56 116.979 4.718 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 56 117.343 7.661 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 56 118.520 5.846 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.460 5.465 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 56 120.756 7.100 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 56 120.070 7.960 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 56 119.908 7.545 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 56 118.843 8.924 1.634 1.00 0.00 H new ATOM 902 N THR A 57 117.972 5.937 -4.733 1.00 0.00 N ATOM 903 CA THR A 57 118.449 6.084 -6.142 1.00 0.00 C ATOM 904 C THR A 57 117.769 7.301 -6.780 1.00 0.00 C ATOM 905 O THR A 57 116.744 7.758 -6.318 1.00 0.00 O ATOM 906 CB THR A 57 118.113 4.821 -6.951 1.00 0.00 C ATOM 907 OG1 THR A 57 117.479 5.189 -8.169 1.00 0.00 O ATOM 908 CG2 THR A 57 117.179 3.920 -6.145 1.00 0.00 C ATOM 0 H THR A 57 117.459 5.080 -4.528 1.00 0.00 H new ATOM 0 HA THR A 57 119.530 6.223 -6.142 1.00 0.00 H new ATOM 0 HB THR A 57 119.035 4.282 -7.168 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.397 4.401 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.945 3.027 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.666 3.631 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.258 4.458 -5.921 1.00 0.00 H new ATOM 916 N PRO A 58 118.337 7.822 -7.837 1.00 0.00 N ATOM 917 CA PRO A 58 117.781 9.003 -8.550 1.00 0.00 C ATOM 918 C PRO A 58 116.250 8.977 -8.596 1.00 0.00 C ATOM 919 O PRO A 58 115.647 7.942 -8.802 1.00 0.00 O ATOM 920 CB PRO A 58 118.372 8.868 -9.952 1.00 0.00 C ATOM 921 CG PRO A 58 119.687 8.178 -9.758 1.00 0.00 C ATOM 922 CD PRO A 58 119.573 7.341 -8.474 1.00 0.00 C ATOM 0 HA PRO A 58 118.031 9.944 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.716 8.289 -10.602 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.504 9.844 -10.419 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.918 7.542 -10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.495 8.905 -9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.517 6.276 -8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.437 7.486 -7.826 1.00 0.00 H new ATOM 930 N LYS A 59 115.614 10.103 -8.398 1.00 0.00 N ATOM 931 CA LYS A 59 114.122 10.125 -8.422 1.00 0.00 C ATOM 932 C LYS A 59 113.621 10.555 -9.802 1.00 0.00 C ATOM 933 O LYS A 59 114.338 10.507 -10.782 1.00 0.00 O ATOM 934 CB LYS A 59 113.597 11.099 -7.360 1.00 0.00 C ATOM 935 CG LYS A 59 114.333 12.441 -7.459 1.00 0.00 C ATOM 936 CD LYS A 59 115.363 12.545 -6.333 1.00 0.00 C ATOM 937 CE LYS A 59 116.368 13.653 -6.656 1.00 0.00 C ATOM 938 NZ LYS A 59 117.229 13.226 -7.795 1.00 0.00 N ATOM 0 H LYS A 59 116.061 11.003 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 59 113.755 9.122 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.526 11.253 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.735 10.673 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.827 12.526 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.621 13.264 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.863 12.758 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.882 11.594 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.842 14.573 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 59 116.983 13.867 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 118.101 13.792 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.470 12.220 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.717 13.368 -8.689 1.00 0.00 H new ATOM 952 N ILE A 60 112.383 10.959 -9.881 1.00 0.00 N ATOM 953 CA ILE A 60 111.800 11.377 -11.188 1.00 0.00 C ATOM 954 C ILE A 60 110.671 12.380 -10.931 1.00 0.00 C ATOM 955 O ILE A 60 109.986 12.305 -9.932 1.00 0.00 O ATOM 956 CB ILE A 60 111.227 10.139 -11.893 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.893 9.072 -10.835 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.255 9.576 -12.880 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.817 8.111 -11.351 1.00 0.00 C ATOM 0 H ILE A 60 111.744 11.018 -9.088 1.00 0.00 H new ATOM 0 HA ILE A 60 112.566 11.837 -11.812 1.00 0.00 H new ATOM 0 HB ILE A 60 110.326 10.416 -12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.793 8.513 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.547 9.555 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.841 8.698 -13.376 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.496 10.334 -13.626 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.160 9.295 -12.342 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.598 7.366 -10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.911 8.670 -11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.176 7.612 -12.251 1.00 0.00 H new ATOM 971 N ALA A 61 110.465 13.310 -11.824 1.00 0.00 N ATOM 972 CA ALA A 61 109.372 14.304 -11.618 1.00 0.00 C ATOM 973 C ALA A 61 108.064 13.568 -11.327 1.00 0.00 C ATOM 974 O ALA A 61 107.271 13.316 -12.213 1.00 0.00 O ATOM 975 CB ALA A 61 109.204 15.157 -12.876 1.00 0.00 C ATOM 0 H ALA A 61 111.003 13.425 -12.683 1.00 0.00 H new ATOM 0 HA ALA A 61 109.626 14.948 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.405 15.881 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.135 15.684 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.953 14.515 -13.720 1.00 0.00 H new ATOM 981 N CYS A 62 107.834 13.219 -10.092 1.00 0.00 N ATOM 982 CA CYS A 62 106.580 12.496 -9.736 1.00 0.00 C ATOM 983 C CYS A 62 105.388 13.173 -10.416 1.00 0.00 C ATOM 984 O CYS A 62 104.937 12.752 -11.463 1.00 0.00 O ATOM 985 CB CYS A 62 106.400 12.526 -8.213 1.00 0.00 C ATOM 986 SG CYS A 62 106.758 10.890 -7.528 1.00 0.00 S ATOM 0 H CYS A 62 108.463 13.404 -9.310 1.00 0.00 H new ATOM 0 HA CYS A 62 106.640 11.462 -10.074 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.065 13.269 -7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.381 12.821 -7.963 1.00 0.00 H new ATOM 991 N LYS A 63 104.872 14.216 -9.830 1.00 0.00 N ATOM 992 CA LYS A 63 103.709 14.913 -10.445 1.00 0.00 C ATOM 993 C LYS A 63 104.133 15.531 -11.776 1.00 0.00 C ATOM 994 O LYS A 63 103.785 15.054 -12.839 1.00 0.00 O ATOM 995 CB LYS A 63 103.218 16.016 -9.502 1.00 0.00 C ATOM 996 CG LYS A 63 102.417 15.397 -8.349 1.00 0.00 C ATOM 997 CD LYS A 63 100.946 15.261 -8.753 1.00 0.00 C ATOM 998 CE LYS A 63 100.237 14.307 -7.790 1.00 0.00 C ATOM 999 NZ LYS A 63 100.660 12.907 -8.077 1.00 0.00 N ATOM 0 H LYS A 63 105.205 14.616 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 63 102.905 14.198 -10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.067 16.575 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.596 16.725 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.825 14.419 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.503 16.020 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.462 16.237 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.872 14.886 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.479 14.567 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 99.156 14.401 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.943 12.246 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 100.760 12.778 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 101.572 12.718 -7.614 1.00 0.00 H new ATOM 1013 N ASN A 64 104.887 16.587 -11.718 1.00 0.00 N ATOM 1014 CA ASN A 64 105.355 17.256 -12.963 1.00 0.00 C ATOM 1015 C ASN A 64 106.641 18.003 -12.636 1.00 0.00 C ATOM 1016 O ASN A 64 106.992 18.983 -13.262 1.00 0.00 O ATOM 1017 CB ASN A 64 104.296 18.247 -13.442 1.00 0.00 C ATOM 1018 CG ASN A 64 103.170 17.492 -14.152 1.00 0.00 C ATOM 1019 OD1 ASN A 64 103.409 16.497 -14.807 1.00 0.00 O ATOM 1020 ND2 ASN A 64 101.944 17.925 -14.048 1.00 0.00 N ATOM 0 H ASN A 64 105.204 17.022 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 64 105.529 16.521 -13.749 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.896 18.805 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.744 18.974 -14.120 1.00 0.00 H new ATOM 0 HD21 ASN A 64 101.186 17.428 -14.516 1.00 0.00 H new ATOM 0 HD22 ASN A 64 101.743 18.760 -13.498 1.00 0.00 H new ATOM 1027 N GLY A 65 107.334 17.541 -11.638 1.00 0.00 N ATOM 1028 CA GLY A 65 108.597 18.201 -11.219 1.00 0.00 C ATOM 1029 C GLY A 65 108.773 18.002 -9.714 1.00 0.00 C ATOM 1030 O GLY A 65 109.597 18.637 -9.087 1.00 0.00 O ATOM 0 H GLY A 65 107.075 16.723 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.443 17.776 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.567 19.264 -11.459 1.00 0.00 H new ATOM 1034 N ASP A 66 107.998 17.125 -9.127 1.00 0.00 N ATOM 1035 CA ASP A 66 108.121 16.887 -7.661 1.00 0.00 C ATOM 1036 C ASP A 66 109.448 16.179 -7.371 1.00 0.00 C ATOM 1037 O ASP A 66 110.098 16.440 -6.378 1.00 0.00 O ATOM 1038 CB ASP A 66 106.956 16.008 -7.190 1.00 0.00 C ATOM 1039 CG ASP A 66 105.822 16.890 -6.660 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.654 17.980 -7.181 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.142 16.459 -5.744 1.00 0.00 O ATOM 0 H ASP A 66 107.288 16.566 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 66 108.095 17.839 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.596 15.393 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.295 15.327 -6.409 1.00 0.00 H new ATOM 1046 N LYS A 67 109.853 15.283 -8.228 1.00 0.00 N ATOM 1047 CA LYS A 67 111.135 14.558 -7.999 1.00 0.00 C ATOM 1048 C LYS A 67 111.116 13.934 -6.599 1.00 0.00 C ATOM 1049 O LYS A 67 112.050 14.074 -5.835 1.00 0.00 O ATOM 1050 CB LYS A 67 112.315 15.540 -8.120 1.00 0.00 C ATOM 1051 CG LYS A 67 111.921 16.726 -9.008 1.00 0.00 C ATOM 1052 CD LYS A 67 113.177 17.339 -9.635 1.00 0.00 C ATOM 1053 CE LYS A 67 114.118 17.817 -8.528 1.00 0.00 C ATOM 1054 NZ LYS A 67 115.157 18.711 -9.112 1.00 0.00 N ATOM 0 H LYS A 67 109.352 15.021 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 67 111.251 13.772 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.606 15.896 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.181 15.031 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.236 16.396 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.394 17.476 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.680 16.603 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 67 112.904 18.174 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 67 113.555 18.349 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 67 114.589 16.963 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 115.797 19.037 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 115.701 18.189 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.699 19.532 -9.556 1.00 0.00 H new ATOM 1068 N ASN A 68 110.050 13.253 -6.252 1.00 0.00 N ATOM 1069 CA ASN A 68 109.964 12.630 -4.894 1.00 0.00 C ATOM 1070 C ASN A 68 109.796 11.108 -5.007 1.00 0.00 C ATOM 1071 O ASN A 68 109.614 10.427 -4.011 1.00 0.00 O ATOM 1072 CB ASN A 68 108.761 13.214 -4.149 1.00 0.00 C ATOM 1073 CG ASN A 68 108.876 12.891 -2.658 1.00 0.00 C ATOM 1074 OD1 ASN A 68 108.291 11.937 -2.184 1.00 0.00 O ATOM 1075 ND2 ASN A 68 109.612 13.650 -1.893 1.00 0.00 N ATOM 0 H ASN A 68 109.237 13.102 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 68 110.885 12.843 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.718 14.293 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 68 107.836 12.801 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 68 109.696 13.442 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.103 14.451 -2.290 1.00 0.00 H new ATOM 1082 N CYS A 69 109.864 10.566 -6.202 1.00 0.00 N ATOM 1083 CA CYS A 69 109.716 9.093 -6.371 1.00 0.00 C ATOM 1084 C CYS A 69 111.105 8.470 -6.462 1.00 0.00 C ATOM 1085 O CYS A 69 112.078 9.145 -6.708 1.00 0.00 O ATOM 1086 CB CYS A 69 108.935 8.793 -7.658 1.00 0.00 C ATOM 1087 SG CYS A 69 108.462 10.343 -8.463 1.00 0.00 S ATOM 0 H CYS A 69 110.016 11.086 -7.066 1.00 0.00 H new ATOM 0 HA CYS A 69 109.174 8.677 -5.522 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.545 8.193 -8.333 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.046 8.207 -7.426 1.00 0.00 H new ATOM 1092 N HIS A 70 111.206 7.188 -6.283 1.00 0.00 N ATOM 1093 CA HIS A 70 112.538 6.530 -6.376 1.00 0.00 C ATOM 1094 C HIS A 70 112.327 5.111 -6.864 1.00 0.00 C ATOM 1095 O HIS A 70 111.661 4.320 -6.229 1.00 0.00 O ATOM 1096 CB HIS A 70 113.213 6.487 -5.005 1.00 0.00 C ATOM 1097 CG HIS A 70 113.815 7.823 -4.676 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.185 8.012 -4.562 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.247 9.041 -4.419 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.392 9.304 -4.246 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.242 9.972 -4.148 1.00 0.00 N ATOM 0 H HIS A 70 110.426 6.565 -6.076 1.00 0.00 H new ATOM 0 HA HIS A 70 113.174 7.091 -7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.485 6.211 -4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.988 5.720 -4.998 1.00 0.00 H new ATOM 0 HD1 HIS A 70 115.904 7.301 -4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.187 9.247 -4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.366 9.744 -4.091 1.00 0.00 H new ATOM 1110 N GLN A 71 112.880 4.785 -7.987 1.00 0.00 N ATOM 1111 CA GLN A 71 112.695 3.412 -8.530 1.00 0.00 C ATOM 1112 C GLN A 71 113.848 2.509 -8.099 1.00 0.00 C ATOM 1113 O GLN A 71 115.004 2.876 -8.162 1.00 0.00 O ATOM 1114 CB GLN A 71 112.587 3.485 -10.058 1.00 0.00 C ATOM 1115 CG GLN A 71 113.433 2.393 -10.724 1.00 0.00 C ATOM 1116 CD GLN A 71 113.164 2.389 -12.230 1.00 0.00 C ATOM 1117 OE1 GLN A 71 113.776 1.641 -12.966 1.00 0.00 O ATOM 1118 NE2 GLN A 71 112.266 3.198 -12.722 1.00 0.00 N ATOM 0 H GLN A 71 113.454 5.406 -8.558 1.00 0.00 H new ATOM 0 HA GLN A 71 111.776 2.982 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.545 3.375 -10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.916 4.465 -10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 71 114.491 2.570 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.191 1.419 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 111.752 3.826 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 71 112.078 3.202 -13.725 1.00 0.00 H new ATOM 1127 N SER A 72 113.527 1.322 -7.663 1.00 0.00 N ATOM 1128 CA SER A 72 114.585 0.375 -7.225 1.00 0.00 C ATOM 1129 C SER A 72 115.602 0.195 -8.353 1.00 0.00 C ATOM 1130 O SER A 72 115.250 0.118 -9.513 1.00 0.00 O ATOM 1131 CB SER A 72 113.953 -0.973 -6.879 1.00 0.00 C ATOM 1132 OG SER A 72 113.018 -0.797 -5.824 1.00 0.00 O ATOM 0 H SER A 72 112.573 0.968 -7.592 1.00 0.00 H new ATOM 0 HA SER A 72 115.089 0.771 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.456 -1.390 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 72 114.724 -1.684 -6.582 1.00 0.00 H new ATOM 0 HG SER A 72 112.153 -0.524 -6.196 1.00 0.00 H new ATOM 1138 N HIS A 73 116.861 0.133 -8.023 1.00 0.00 N ATOM 1139 CA HIS A 73 117.902 -0.038 -9.075 1.00 0.00 C ATOM 1140 C HIS A 73 117.865 -1.476 -9.600 1.00 0.00 C ATOM 1141 O HIS A 73 118.852 -2.002 -10.074 1.00 0.00 O ATOM 1142 CB HIS A 73 119.280 0.257 -8.466 1.00 0.00 C ATOM 1143 CG HIS A 73 119.830 1.540 -9.032 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.009 2.593 -9.415 1.00 0.00 N ATOM 1145 CD2 HIS A 73 121.114 1.954 -9.287 1.00 0.00 C ATOM 1146 CE1 HIS A 73 119.802 3.578 -9.875 1.00 0.00 C ATOM 1147 NE2 HIS A 73 121.091 3.238 -9.818 1.00 0.00 N ATOM 0 H HIS A 73 117.215 0.193 -7.068 1.00 0.00 H new ATOM 0 HA HIS A 73 117.712 0.648 -9.900 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.199 0.334 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.963 -0.566 -8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 73 122.005 1.371 -9.103 1.00 0.00 H new ATOM 0 HE1 HIS A 73 119.440 4.526 -10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 73 121.891 3.802 -10.104 1.00 0.00 H new ATOM 1156 N GLY A 74 116.734 -2.115 -9.520 1.00 0.00 N ATOM 1157 CA GLY A 74 116.639 -3.517 -10.014 1.00 0.00 C ATOM 1158 C GLY A 74 115.291 -4.114 -9.609 1.00 0.00 C ATOM 1159 O GLY A 74 114.457 -3.448 -9.029 1.00 0.00 O ATOM 0 H GLY A 74 115.872 -1.729 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.747 -3.539 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.452 -4.115 -9.601 1.00 0.00 H new ATOM 1163 N PRO A 75 115.083 -5.365 -9.918 1.00 0.00 N ATOM 1164 CA PRO A 75 113.817 -6.076 -9.591 1.00 0.00 C ATOM 1165 C PRO A 75 113.740 -6.485 -8.115 1.00 0.00 C ATOM 1166 O PRO A 75 114.583 -7.206 -7.620 1.00 0.00 O ATOM 1167 CB PRO A 75 113.861 -7.313 -10.491 1.00 0.00 C ATOM 1168 CG PRO A 75 115.315 -7.591 -10.699 1.00 0.00 C ATOM 1169 CD PRO A 75 116.037 -6.241 -10.619 1.00 0.00 C ATOM 0 HA PRO A 75 112.943 -5.446 -9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.361 -8.160 -10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.355 -7.129 -11.439 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.691 -8.276 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.484 -8.064 -11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.977 -6.323 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.276 -5.857 -11.611 1.00 0.00 H new ATOM 1177 N VAL A 76 112.730 -6.037 -7.412 1.00 0.00 N ATOM 1178 CA VAL A 76 112.593 -6.408 -5.974 1.00 0.00 C ATOM 1179 C VAL A 76 111.452 -7.415 -5.845 1.00 0.00 C ATOM 1180 O VAL A 76 110.427 -7.289 -6.490 1.00 0.00 O ATOM 1181 CB VAL A 76 112.278 -5.153 -5.140 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.501 -4.153 -5.990 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.451 -5.534 -3.904 1.00 0.00 C ATOM 0 H VAL A 76 111.995 -5.430 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 76 113.522 -6.845 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 76 113.214 -4.700 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.280 -3.266 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.099 -3.870 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.569 -4.607 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.234 -4.639 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.516 -5.997 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.015 -6.238 -3.292 1.00 0.00 H new ATOM 1193 N SER A 77 111.613 -8.406 -5.016 1.00 0.00 N ATOM 1194 CA SER A 77 110.527 -9.404 -4.847 1.00 0.00 C ATOM 1195 C SER A 77 109.313 -8.695 -4.255 1.00 0.00 C ATOM 1196 O SER A 77 109.116 -8.679 -3.064 1.00 0.00 O ATOM 1197 CB SER A 77 110.989 -10.513 -3.900 1.00 0.00 C ATOM 1198 OG SER A 77 109.861 -11.261 -3.468 1.00 0.00 O ATOM 0 H SER A 77 112.447 -8.567 -4.451 1.00 0.00 H new ATOM 0 HA SER A 77 110.271 -9.848 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.701 -11.166 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.505 -10.083 -3.042 1.00 0.00 H new ATOM 0 HG SER A 77 110.154 -11.974 -2.862 1.00 0.00 H new ATOM 1204 N LEU A 78 108.503 -8.095 -5.075 1.00 0.00 N ATOM 1205 CA LEU A 78 107.312 -7.376 -4.552 1.00 0.00 C ATOM 1206 C LEU A 78 106.105 -8.311 -4.557 1.00 0.00 C ATOM 1207 O LEU A 78 106.194 -9.456 -4.953 1.00 0.00 O ATOM 1208 CB LEU A 78 107.025 -6.172 -5.439 1.00 0.00 C ATOM 1209 CG LEU A 78 106.672 -6.631 -6.858 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.206 -7.085 -6.935 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.889 -5.462 -7.813 1.00 0.00 C ATOM 0 H LEU A 78 108.614 -8.071 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 78 107.505 -7.044 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.202 -5.592 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.895 -5.516 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 78 107.308 -7.473 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.978 -7.406 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.046 -7.915 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.553 -6.256 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.642 -5.771 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.248 -4.630 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.932 -5.148 -7.773 1.00 0.00 H new ATOM 1223 N THR A 79 104.975 -7.828 -4.121 1.00 0.00 N ATOM 1224 CA THR A 79 103.754 -8.678 -4.098 1.00 0.00 C ATOM 1225 C THR A 79 102.539 -7.843 -4.490 1.00 0.00 C ATOM 1226 O THR A 79 102.084 -7.002 -3.744 1.00 0.00 O ATOM 1227 CB THR A 79 103.560 -9.235 -2.689 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.259 -10.465 -2.573 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.077 -9.470 -2.406 1.00 0.00 C ATOM 0 H THR A 79 104.845 -6.876 -3.778 1.00 0.00 H new ATOM 0 HA THR A 79 103.866 -9.499 -4.806 1.00 0.00 H new ATOM 0 HB THR A 79 103.946 -8.514 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.206 -10.324 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.957 -9.867 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.536 -8.527 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.678 -10.184 -3.127 1.00 0.00 H new ATOM 1237 N MET A 80 102.000 -8.077 -5.649 1.00 0.00 N ATOM 1238 CA MET A 80 100.801 -7.303 -6.069 1.00 0.00 C ATOM 1239 C MET A 80 99.542 -8.027 -5.587 1.00 0.00 C ATOM 1240 O MET A 80 99.180 -9.069 -6.100 1.00 0.00 O ATOM 1241 CB MET A 80 100.764 -7.183 -7.594 1.00 0.00 C ATOM 1242 CG MET A 80 102.161 -6.856 -8.117 1.00 0.00 C ATOM 1243 SD MET A 80 102.035 -6.171 -9.788 1.00 0.00 S ATOM 1244 CE MET A 80 101.064 -7.516 -10.511 1.00 0.00 C ATOM 0 H MET A 80 102.334 -8.767 -6.322 1.00 0.00 H new ATOM 0 HA MET A 80 100.846 -6.305 -5.633 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.409 -8.115 -8.034 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.062 -6.403 -7.890 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.650 -6.141 -7.455 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.777 -7.755 -8.127 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.219 -7.538 -11.590 1.00 0.00 H new ATOM 0 HE2 MET A 80 101.380 -8.466 -10.080 1.00 0.00 H new ATOM 0 HE3 MET A 80 100.007 -7.356 -10.300 1.00 0.00 H new ATOM 1254 N CYS A 81 98.867 -7.487 -4.606 1.00 0.00 N ATOM 1255 CA CYS A 81 97.631 -8.149 -4.108 1.00 0.00 C ATOM 1256 C CYS A 81 96.427 -7.555 -4.828 1.00 0.00 C ATOM 1257 O CYS A 81 96.423 -6.392 -5.175 1.00 0.00 O ATOM 1258 CB CYS A 81 97.476 -7.900 -2.611 1.00 0.00 C ATOM 1259 SG CYS A 81 99.064 -8.140 -1.782 1.00 0.00 S ATOM 0 H CYS A 81 99.119 -6.620 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 81 97.697 -9.221 -4.295 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.114 -6.887 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.732 -8.580 -2.195 1.00 0.00 H new ATOM 1264 N LYS A 82 95.402 -8.333 -5.055 1.00 0.00 N ATOM 1265 CA LYS A 82 94.211 -7.796 -5.746 1.00 0.00 C ATOM 1266 C LYS A 82 92.956 -8.238 -4.992 1.00 0.00 C ATOM 1267 O LYS A 82 92.955 -9.246 -4.314 1.00 0.00 O ATOM 1268 CB LYS A 82 94.181 -8.317 -7.189 1.00 0.00 C ATOM 1269 CG LYS A 82 93.254 -9.528 -7.278 1.00 0.00 C ATOM 1270 CD LYS A 82 93.466 -10.242 -8.614 1.00 0.00 C ATOM 1271 CE LYS A 82 92.325 -11.233 -8.850 1.00 0.00 C ATOM 1272 NZ LYS A 82 91.056 -10.485 -9.077 1.00 0.00 N ATOM 0 H LYS A 82 95.345 -9.316 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 82 94.249 -6.707 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.836 -7.532 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.186 -8.592 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.453 -10.212 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.215 -9.211 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.504 -9.515 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.422 -10.766 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.548 -11.862 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.221 -11.895 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 90.415 -11.058 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.603 -10.285 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.263 -9.590 -9.564 1.00 0.00 H new ATOM 1286 N LEU A 83 91.887 -7.501 -5.103 1.00 0.00 N ATOM 1287 CA LEU A 83 90.650 -7.905 -4.386 1.00 0.00 C ATOM 1288 C LEU A 83 90.015 -9.070 -5.125 1.00 0.00 C ATOM 1289 O LEU A 83 89.480 -8.926 -6.206 1.00 0.00 O ATOM 1290 CB LEU A 83 89.656 -6.740 -4.308 1.00 0.00 C ATOM 1291 CG LEU A 83 88.316 -7.224 -3.724 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.564 -8.118 -2.512 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.483 -6.024 -3.268 1.00 0.00 C ATOM 0 H LEU A 83 91.817 -6.645 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 83 90.909 -8.198 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.066 -5.944 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.498 -6.320 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 83 87.786 -7.780 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.610 -8.455 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.156 -8.983 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.104 -7.556 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.536 -6.374 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.029 -5.471 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.289 -5.371 -4.119 1.00 0.00 H new ATOM 1305 N THR A 84 90.071 -10.224 -4.540 1.00 0.00 N ATOM 1306 CA THR A 84 89.473 -11.414 -5.193 1.00 0.00 C ATOM 1307 C THR A 84 87.956 -11.245 -5.222 1.00 0.00 C ATOM 1308 O THR A 84 87.335 -11.408 -6.252 1.00 0.00 O ATOM 1309 CB THR A 84 89.857 -12.679 -4.418 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.190 -12.685 -3.166 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.378 -12.712 -4.193 1.00 0.00 C ATOM 0 H THR A 84 90.506 -10.398 -3.634 1.00 0.00 H new ATOM 0 HA THR A 84 89.847 -11.510 -6.212 1.00 0.00 H new ATOM 0 HB THR A 84 89.562 -13.557 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.428 -11.877 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.645 -13.614 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.888 -12.711 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.680 -11.834 -3.622 1.00 0.00 H new ATOM 1319 N SER A 85 87.351 -10.895 -4.109 1.00 0.00 N ATOM 1320 CA SER A 85 85.860 -10.695 -4.107 1.00 0.00 C ATOM 1321 C SER A 85 85.298 -10.822 -2.687 1.00 0.00 C ATOM 1322 O SER A 85 85.918 -11.383 -1.808 1.00 0.00 O ATOM 1323 CB SER A 85 85.189 -11.747 -5.001 1.00 0.00 C ATOM 1324 OG SER A 85 85.987 -12.923 -5.026 1.00 0.00 O ATOM 0 H SER A 85 87.815 -10.741 -3.214 1.00 0.00 H new ATOM 0 HA SER A 85 85.652 -9.695 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.193 -11.978 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 85 85.065 -11.357 -6.011 1.00 0.00 H new ATOM 0 HG SER A 85 86.554 -12.916 -5.825 1.00 0.00 H new ATOM 1330 N GLY A 86 84.109 -10.312 -2.466 1.00 0.00 N ATOM 1331 CA GLY A 86 83.489 -10.413 -1.112 1.00 0.00 C ATOM 1332 C GLY A 86 82.683 -9.145 -0.801 1.00 0.00 C ATOM 1333 O GLY A 86 81.584 -9.221 -0.297 1.00 0.00 O ATOM 0 H GLY A 86 83.544 -9.831 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.838 -11.286 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.264 -10.553 -0.359 1.00 0.00 H new ATOM 1337 N LYS A 87 83.248 -7.996 -1.095 1.00 0.00 N ATOM 1338 CA LYS A 87 82.592 -6.662 -0.842 1.00 0.00 C ATOM 1339 C LYS A 87 83.569 -5.811 -0.028 1.00 0.00 C ATOM 1340 O LYS A 87 84.756 -6.026 -0.085 1.00 0.00 O ATOM 1341 CB LYS A 87 81.265 -6.798 -0.082 1.00 0.00 C ATOM 1342 CG LYS A 87 80.171 -7.262 -1.047 1.00 0.00 C ATOM 1343 CD LYS A 87 79.025 -7.906 -0.261 1.00 0.00 C ATOM 1344 CE LYS A 87 77.983 -8.457 -1.236 1.00 0.00 C ATOM 1345 NZ LYS A 87 76.743 -8.812 -0.490 1.00 0.00 N ATOM 0 H LYS A 87 84.174 -7.923 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 87 82.359 -6.197 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.372 -7.513 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.990 -5.843 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 87 79.798 -6.415 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 87 80.582 -7.977 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 87 79.408 -8.708 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.566 -7.172 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.759 -7.715 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.377 -9.335 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.034 -9.187 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 76.963 -9.534 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 76.365 -7.964 -0.022 1.00 0.00 H new ATOM 1359 N TYR A 88 83.107 -4.849 0.728 1.00 0.00 N ATOM 1360 CA TYR A 88 84.068 -4.027 1.520 1.00 0.00 C ATOM 1361 C TYR A 88 84.271 -4.654 2.908 1.00 0.00 C ATOM 1362 O TYR A 88 85.378 -4.725 3.401 1.00 0.00 O ATOM 1363 CB TYR A 88 83.559 -2.581 1.649 1.00 0.00 C ATOM 1364 CG TYR A 88 83.892 -2.047 3.024 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.202 -2.145 3.519 1.00 0.00 C ATOM 1366 CD2 TYR A 88 82.886 -1.490 3.814 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.495 -1.686 4.808 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.181 -1.023 5.099 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.484 -1.125 5.598 1.00 0.00 C ATOM 1370 OH TYR A 88 84.772 -0.675 6.870 1.00 0.00 O ATOM 0 H TYR A 88 82.123 -4.600 0.831 1.00 0.00 H new ATOM 0 HA TYR A 88 85.026 -4.005 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.017 -1.954 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.482 -2.548 1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 88 85.982 -2.574 2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 88 81.878 -1.419 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.501 -1.764 5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.403 -0.584 5.706 1.00 0.00 H new ATOM 0 HH TYR A 88 83.959 -0.314 7.281 1.00 0.00 H new ATOM 1380 N PRO A 89 83.223 -5.105 3.540 1.00 0.00 N ATOM 1381 CA PRO A 89 83.319 -5.724 4.880 1.00 0.00 C ATOM 1382 C PRO A 89 83.620 -7.224 4.786 1.00 0.00 C ATOM 1383 O PRO A 89 83.785 -7.899 5.783 1.00 0.00 O ATOM 1384 CB PRO A 89 81.934 -5.475 5.475 1.00 0.00 C ATOM 1385 CG PRO A 89 80.999 -5.433 4.302 1.00 0.00 C ATOM 1386 CD PRO A 89 81.836 -5.085 3.061 1.00 0.00 C ATOM 0 HA PRO A 89 84.127 -5.310 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.657 -6.267 6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.908 -4.538 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.502 -6.394 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.218 -4.689 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.681 -5.809 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.567 -4.107 2.662 1.00 0.00 H new ATOM 1394 N ASN A 90 83.689 -7.749 3.588 1.00 0.00 N ATOM 1395 CA ASN A 90 83.974 -9.204 3.420 1.00 0.00 C ATOM 1396 C ASN A 90 84.883 -9.413 2.206 1.00 0.00 C ATOM 1397 O ASN A 90 84.819 -10.428 1.548 1.00 0.00 O ATOM 1398 CB ASN A 90 82.652 -9.945 3.190 1.00 0.00 C ATOM 1399 CG ASN A 90 82.719 -11.338 3.823 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.787 -11.893 3.986 1.00 0.00 O ATOM 1401 ND2 ASN A 90 81.614 -11.929 4.188 1.00 0.00 N ATOM 0 H ASN A 90 83.560 -7.231 2.719 1.00 0.00 H new ATOM 0 HA ASN A 90 84.468 -9.586 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.827 -9.379 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.454 -10.031 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 90 81.647 -12.857 4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 90 80.717 -11.463 4.051 1.00 0.00 H new ATOM 1408 N CYS A 91 85.717 -8.460 1.896 1.00 0.00 N ATOM 1409 CA CYS A 91 86.606 -8.598 0.709 1.00 0.00 C ATOM 1410 C CYS A 91 87.834 -9.444 1.048 1.00 0.00 C ATOM 1411 O CYS A 91 88.559 -9.168 1.982 1.00 0.00 O ATOM 1412 CB CYS A 91 87.063 -7.201 0.271 1.00 0.00 C ATOM 1413 SG CYS A 91 86.737 -6.019 1.600 1.00 0.00 S ATOM 0 H CYS A 91 85.821 -7.588 2.416 1.00 0.00 H new ATOM 0 HA CYS A 91 86.055 -9.090 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.126 -7.212 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.536 -6.901 -0.635 1.00 0.00 H new ATOM 1418 N ARG A 92 88.082 -10.458 0.261 1.00 0.00 N ATOM 1419 CA ARG A 92 89.275 -11.323 0.483 1.00 0.00 C ATOM 1420 C ARG A 92 90.246 -11.068 -0.669 1.00 0.00 C ATOM 1421 O ARG A 92 89.837 -10.951 -1.816 1.00 0.00 O ATOM 1422 CB ARG A 92 88.857 -12.800 0.507 1.00 0.00 C ATOM 1423 CG ARG A 92 87.611 -12.998 -0.357 1.00 0.00 C ATOM 1424 CD ARG A 92 87.282 -14.489 -0.444 1.00 0.00 C ATOM 1425 NE ARG A 92 85.990 -14.672 -1.164 1.00 0.00 N ATOM 1426 CZ ARG A 92 85.695 -15.828 -1.691 1.00 0.00 C ATOM 1427 NH1 ARG A 92 86.531 -16.825 -1.588 1.00 0.00 N ATOM 1428 NH2 ARG A 92 84.563 -15.988 -2.322 1.00 0.00 N ATOM 0 H ARG A 92 87.502 -10.725 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 92 89.746 -11.092 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.671 -13.424 0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.655 -13.114 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.769 -12.453 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.779 -12.593 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 92 88.079 -15.018 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.217 -14.917 0.556 1.00 0.00 H new ATOM 0 HE ARG A 92 85.336 -13.893 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.415 -16.700 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 92 86.300 -17.729 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 92 83.910 -15.209 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 92 84.332 -16.892 -2.734 1.00 0.00 H new ATOM 1442 N TYR A 93 91.518 -10.942 -0.374 1.00 0.00 N ATOM 1443 CA TYR A 93 92.512 -10.653 -1.444 1.00 0.00 C ATOM 1444 C TYR A 93 93.445 -11.836 -1.660 1.00 0.00 C ATOM 1445 O TYR A 93 93.578 -12.713 -0.829 1.00 0.00 O ATOM 1446 CB TYR A 93 93.351 -9.447 -1.031 1.00 0.00 C ATOM 1447 CG TYR A 93 92.448 -8.256 -0.875 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.549 -8.197 0.195 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.499 -7.217 -1.807 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.702 -7.098 0.333 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.650 -6.120 -1.671 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.753 -6.059 -0.603 1.00 0.00 C ATOM 1453 OH TYR A 93 89.922 -4.975 -0.472 1.00 0.00 O ATOM 0 H TYR A 93 91.907 -11.028 0.565 1.00 0.00 H new ATOM 0 HA TYR A 93 91.971 -10.455 -2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.870 -9.652 -0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.115 -9.245 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.511 -9.002 0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.195 -7.264 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.009 -7.049 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.686 -5.317 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 93 89.564 -4.946 0.440 1.00 0.00 H new ATOM 1463 N LYS A 94 94.115 -11.829 -2.773 1.00 0.00 N ATOM 1464 CA LYS A 94 95.087 -12.899 -3.097 1.00 0.00 C ATOM 1465 C LYS A 94 96.448 -12.232 -3.256 1.00 0.00 C ATOM 1466 O LYS A 94 96.560 -11.173 -3.847 1.00 0.00 O ATOM 1467 CB LYS A 94 94.685 -13.590 -4.407 1.00 0.00 C ATOM 1468 CG LYS A 94 93.935 -14.888 -4.093 1.00 0.00 C ATOM 1469 CD LYS A 94 94.926 -15.953 -3.592 1.00 0.00 C ATOM 1470 CE LYS A 94 95.078 -17.058 -4.642 1.00 0.00 C ATOM 1471 NZ LYS A 94 96.006 -18.105 -4.130 1.00 0.00 N ATOM 0 H LYS A 94 94.026 -11.108 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 94 95.114 -13.654 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.054 -12.928 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.572 -13.805 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.171 -14.704 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.421 -15.247 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.894 -15.495 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.573 -16.378 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 94 94.106 -17.497 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 94 95.462 -16.640 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 96.110 -18.856 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 96.936 -17.681 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 95.622 -18.511 -3.253 1.00 0.00 H new ATOM 1485 N GLU A 95 97.476 -12.822 -2.721 1.00 0.00 N ATOM 1486 CA GLU A 95 98.821 -12.198 -2.826 1.00 0.00 C ATOM 1487 C GLU A 95 99.544 -12.734 -4.064 1.00 0.00 C ATOM 1488 O GLU A 95 99.712 -13.925 -4.235 1.00 0.00 O ATOM 1489 CB GLU A 95 99.624 -12.515 -1.553 1.00 0.00 C ATOM 1490 CG GLU A 95 100.452 -13.787 -1.746 1.00 0.00 C ATOM 1491 CD GLU A 95 101.022 -14.235 -0.399 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.420 -13.915 0.613 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.051 -14.891 -0.402 1.00 0.00 O ATOM 0 H GLU A 95 97.444 -13.708 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 95 98.722 -11.117 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.281 -11.679 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.945 -12.640 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.832 -14.576 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.262 -13.603 -2.452 1.00 0.00 H new ATOM 1500 N LYS A 96 99.981 -11.859 -4.926 1.00 0.00 N ATOM 1501 CA LYS A 96 100.708 -12.310 -6.145 1.00 0.00 C ATOM 1502 C LYS A 96 102.174 -11.908 -6.004 1.00 0.00 C ATOM 1503 O LYS A 96 102.517 -10.749 -6.091 1.00 0.00 O ATOM 1504 CB LYS A 96 100.106 -11.630 -7.377 1.00 0.00 C ATOM 1505 CG LYS A 96 100.574 -12.354 -8.641 1.00 0.00 C ATOM 1506 CD LYS A 96 100.091 -11.591 -9.876 1.00 0.00 C ATOM 1507 CE LYS A 96 100.355 -12.427 -11.129 1.00 0.00 C ATOM 1508 NZ LYS A 96 100.217 -11.567 -12.338 1.00 0.00 N ATOM 0 H LYS A 96 99.866 -10.849 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 96 100.624 -13.391 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.018 -11.646 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.408 -10.583 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.661 -12.428 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.185 -13.372 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.026 -11.374 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 96 100.607 -10.634 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.356 -12.857 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 96 99.652 -13.259 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 100.396 -12.135 -13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 99.254 -11.177 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 100.904 -10.788 -12.290 1.00 0.00 H new ATOM 1522 N ARG A 97 103.040 -12.853 -5.780 1.00 0.00 N ATOM 1523 CA ARG A 97 104.481 -12.513 -5.622 1.00 0.00 C ATOM 1524 C ARG A 97 105.102 -12.209 -6.984 1.00 0.00 C ATOM 1525 O ARG A 97 105.302 -13.092 -7.795 1.00 0.00 O ATOM 1526 CB ARG A 97 105.218 -13.694 -4.982 1.00 0.00 C ATOM 1527 CG ARG A 97 106.731 -13.504 -5.140 1.00 0.00 C ATOM 1528 CD ARG A 97 107.468 -14.403 -4.146 1.00 0.00 C ATOM 1529 NE ARG A 97 107.167 -15.831 -4.451 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.509 -16.764 -3.606 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.114 -16.448 -2.494 1.00 0.00 N ATOM 1532 NH2 ARG A 97 107.246 -18.014 -3.873 1.00 0.00 N ATOM 0 H ARG A 97 102.815 -13.844 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 97 104.569 -11.633 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.959 -13.768 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.908 -14.627 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 97 107.034 -13.747 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.997 -12.461 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.542 -14.226 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.162 -14.165 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 97 106.694 -16.078 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.320 -15.471 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.381 -17.178 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.773 -18.261 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 97 107.513 -18.744 -3.212 1.00 0.00 H new ATOM 1546 N GLN A 98 105.427 -10.968 -7.233 1.00 0.00 N ATOM 1547 CA GLN A 98 106.060 -10.604 -8.534 1.00 0.00 C ATOM 1548 C GLN A 98 107.449 -10.022 -8.253 1.00 0.00 C ATOM 1549 O GLN A 98 107.764 -9.676 -7.137 1.00 0.00 O ATOM 1550 CB GLN A 98 105.189 -9.563 -9.254 1.00 0.00 C ATOM 1551 CG GLN A 98 104.817 -10.069 -10.652 1.00 0.00 C ATOM 1552 CD GLN A 98 106.091 -10.334 -11.457 1.00 0.00 C ATOM 1553 OE1 GLN A 98 107.063 -9.617 -11.331 1.00 0.00 O ATOM 1554 NE2 GLN A 98 106.127 -11.342 -12.285 1.00 0.00 N ATOM 0 H GLN A 98 105.281 -10.190 -6.590 1.00 0.00 H new ATOM 0 HA GLN A 98 106.152 -11.485 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.286 -9.370 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.726 -8.618 -9.331 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.227 -10.982 -10.574 1.00 0.00 H new ATOM 0 HG3 GLN A 98 104.198 -9.332 -11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 98 105.311 -11.944 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.971 -11.528 -12.826 1.00 0.00 H new ATOM 1563 N ASN A 99 108.277 -9.911 -9.254 1.00 0.00 N ATOM 1564 CA ASN A 99 109.644 -9.340 -9.046 1.00 0.00 C ATOM 1565 C ASN A 99 109.882 -8.252 -10.083 1.00 0.00 C ATOM 1566 O ASN A 99 110.055 -8.523 -11.255 1.00 0.00 O ATOM 1567 CB ASN A 99 110.692 -10.444 -9.210 1.00 0.00 C ATOM 1568 CG ASN A 99 110.374 -11.268 -10.459 1.00 0.00 C ATOM 1569 OD1 ASN A 99 110.871 -10.984 -11.531 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.560 -12.283 -10.367 1.00 0.00 N ATOM 0 H ASN A 99 108.068 -10.191 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 99 109.723 -8.921 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.687 -10.006 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.700 -11.087 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.341 -12.838 -11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 99 109.142 -12.522 -9.468 1.00 0.00 H new ATOM 1577 N LYS A 100 109.898 -7.023 -9.660 1.00 0.00 N ATOM 1578 CA LYS A 100 110.125 -5.910 -10.619 1.00 0.00 C ATOM 1579 C LYS A 100 110.624 -4.692 -9.853 1.00 0.00 C ATOM 1580 O LYS A 100 110.431 -4.574 -8.660 1.00 0.00 O ATOM 1581 CB LYS A 100 108.821 -5.549 -11.353 1.00 0.00 C ATOM 1582 CG LYS A 100 107.777 -6.659 -11.183 1.00 0.00 C ATOM 1583 CD LYS A 100 106.419 -6.171 -11.709 1.00 0.00 C ATOM 1584 CE LYS A 100 105.985 -7.022 -12.907 1.00 0.00 C ATOM 1585 NZ LYS A 100 107.088 -7.071 -13.908 1.00 0.00 N ATOM 0 H LYS A 100 109.763 -6.739 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 100 110.864 -6.224 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.427 -4.610 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 100 109.025 -5.394 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.089 -7.552 -11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.693 -6.936 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.670 -6.232 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.488 -5.124 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 100 105.733 -8.030 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 100 105.087 -6.601 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 106.687 -7.173 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 107.642 -6.192 -13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 107.706 -7.882 -13.704 1.00 0.00 H new ATOM 1599 N SER A 101 111.254 -3.782 -10.532 1.00 0.00 N ATOM 1600 CA SER A 101 111.758 -2.563 -9.847 1.00 0.00 C ATOM 1601 C SER A 101 110.609 -1.564 -9.756 1.00 0.00 C ATOM 1602 O SER A 101 110.085 -1.126 -10.754 1.00 0.00 O ATOM 1603 CB SER A 101 112.913 -1.968 -10.656 1.00 0.00 C ATOM 1604 OG SER A 101 113.569 -3.008 -11.369 1.00 0.00 O ATOM 0 H SER A 101 111.443 -3.828 -11.533 1.00 0.00 H new ATOM 0 HA SER A 101 112.121 -2.803 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.537 -1.216 -11.350 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.617 -1.466 -9.992 1.00 0.00 H new ATOM 0 HG SER A 101 114.309 -2.631 -11.890 1.00 0.00 H new ATOM 1610 N TYR A 102 110.188 -1.220 -8.571 1.00 0.00 N ATOM 1611 CA TYR A 102 109.044 -0.278 -8.441 1.00 0.00 C ATOM 1612 C TYR A 102 109.536 1.119 -8.134 1.00 0.00 C ATOM 1613 O TYR A 102 110.717 1.380 -8.095 1.00 0.00 O ATOM 1614 CB TYR A 102 108.173 -0.727 -7.279 1.00 0.00 C ATOM 1615 CG TYR A 102 109.058 -1.033 -6.088 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.887 -0.044 -5.525 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.041 -2.310 -5.534 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.689 -0.350 -4.421 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.836 -2.609 -4.429 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.664 -1.632 -3.873 1.00 0.00 C ATOM 1621 OH TYR A 102 111.452 -1.934 -2.784 1.00 0.00 O ATOM 0 H TYR A 102 110.585 -1.549 -7.691 1.00 0.00 H new ATOM 0 HA TYR A 102 108.489 -0.273 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.455 0.052 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.599 -1.611 -7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.904 0.951 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.408 -3.073 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.328 0.407 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.811 -3.600 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 102 112.264 -1.385 -2.805 1.00 0.00 H new ATOM 1631 N VAL A 103 108.617 2.010 -7.883 1.00 0.00 N ATOM 1632 CA VAL A 103 108.988 3.405 -7.538 1.00 0.00 C ATOM 1633 C VAL A 103 108.220 3.831 -6.307 1.00 0.00 C ATOM 1634 O VAL A 103 107.022 4.024 -6.343 1.00 0.00 O ATOM 1635 CB VAL A 103 108.635 4.335 -8.682 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.651 5.482 -8.761 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.643 3.525 -9.966 1.00 0.00 C ATOM 0 H VAL A 103 107.614 1.826 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 103 110.061 3.453 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 103 107.649 4.772 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.389 6.144 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.639 6.044 -7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.648 5.074 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.392 4.172 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.634 3.098 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.909 2.722 -9.894 1.00 0.00 H new ATOM 1647 N VAL A 104 108.903 3.991 -5.225 1.00 0.00 N ATOM 1648 CA VAL A 104 108.223 4.424 -3.978 1.00 0.00 C ATOM 1649 C VAL A 104 108.665 5.856 -3.660 1.00 0.00 C ATOM 1650 O VAL A 104 109.793 6.233 -3.912 1.00 0.00 O ATOM 1651 CB VAL A 104 108.564 3.449 -2.828 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.523 2.367 -3.328 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.207 4.195 -1.654 1.00 0.00 C ATOM 0 H VAL A 104 109.909 3.842 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 104 107.140 4.410 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 104 107.637 2.989 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.758 1.684 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.054 1.813 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.441 2.832 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.438 3.489 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.125 4.678 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.516 4.950 -1.280 1.00 0.00 H new ATOM 1663 N ALA A 105 107.791 6.665 -3.115 1.00 0.00 N ATOM 1664 CA ALA A 105 108.180 8.064 -2.798 1.00 0.00 C ATOM 1665 C ALA A 105 108.691 8.107 -1.369 1.00 0.00 C ATOM 1666 O ALA A 105 108.526 7.163 -0.623 1.00 0.00 O ATOM 1667 CB ALA A 105 106.970 8.989 -2.952 1.00 0.00 C ATOM 0 H ALA A 105 106.831 6.415 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 105 108.960 8.400 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.262 10.013 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.604 8.942 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.181 8.672 -2.270 1.00 0.00 H new ATOM 1673 N CYS A 106 109.338 9.170 -0.980 1.00 0.00 N ATOM 1674 CA CYS A 106 109.874 9.209 0.411 1.00 0.00 C ATOM 1675 C CYS A 106 109.593 10.539 1.095 1.00 0.00 C ATOM 1676 O CYS A 106 109.365 11.554 0.467 1.00 0.00 O ATOM 1677 CB CYS A 106 111.372 8.960 0.376 1.00 0.00 C ATOM 1678 SG CYS A 106 111.639 7.177 0.323 1.00 0.00 S ATOM 0 H CYS A 106 109.517 9.997 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 106 109.371 8.432 0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 106 111.818 9.438 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.851 9.391 1.255 1.00 0.00 H new ATOM 1683 N LYS A 107 109.620 10.522 2.399 1.00 0.00 N ATOM 1684 CA LYS A 107 109.368 11.766 3.179 1.00 0.00 C ATOM 1685 C LYS A 107 110.137 11.697 4.500 1.00 0.00 C ATOM 1686 O LYS A 107 110.515 10.629 4.957 1.00 0.00 O ATOM 1687 CB LYS A 107 107.865 11.889 3.477 1.00 0.00 C ATOM 1688 CG LYS A 107 107.155 12.628 2.333 1.00 0.00 C ATOM 1689 CD LYS A 107 105.871 13.284 2.855 1.00 0.00 C ATOM 1690 CE LYS A 107 105.028 12.252 3.612 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.434 12.233 5.046 1.00 0.00 N ATOM 0 H LYS A 107 109.807 9.692 2.962 1.00 0.00 H new ATOM 0 HA LYS A 107 109.699 12.630 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.430 10.898 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.716 12.425 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.816 13.386 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 107 106.917 11.931 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.119 14.117 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.298 13.695 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 107 103.970 12.498 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 107 105.162 11.264 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.590 12.122 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 106.083 11.438 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 105.912 13.126 5.283 1.00 0.00 H new ATOM 1705 N PRO A 108 110.359 12.829 5.117 1.00 0.00 N ATOM 1706 CA PRO A 108 111.078 12.899 6.418 1.00 0.00 C ATOM 1707 C PRO A 108 110.315 12.147 7.522 1.00 0.00 C ATOM 1708 O PRO A 108 109.117 12.294 7.660 1.00 0.00 O ATOM 1709 CB PRO A 108 111.143 14.403 6.733 1.00 0.00 C ATOM 1710 CG PRO A 108 110.089 15.037 5.885 1.00 0.00 C ATOM 1711 CD PRO A 108 109.959 14.163 4.641 1.00 0.00 C ATOM 0 HA PRO A 108 112.063 12.434 6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.960 14.590 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.128 14.809 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.141 15.095 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.366 16.056 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.940 14.163 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.605 14.512 3.835 1.00 0.00 H new ATOM 1719 N PRO A 109 111.001 11.354 8.304 1.00 0.00 N ATOM 1720 CA PRO A 109 110.372 10.579 9.409 1.00 0.00 C ATOM 1721 C PRO A 109 109.432 11.458 10.242 1.00 0.00 C ATOM 1722 O PRO A 109 109.866 12.296 11.007 1.00 0.00 O ATOM 1723 CB PRO A 109 111.562 10.097 10.243 1.00 0.00 C ATOM 1724 CG PRO A 109 112.753 10.135 9.345 1.00 0.00 C ATOM 1725 CD PRO A 109 112.447 11.120 8.219 1.00 0.00 C ATOM 0 HA PRO A 109 109.754 9.758 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.711 10.738 11.112 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.390 9.088 10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.640 10.447 9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.961 9.144 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.005 12.048 8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.724 10.709 7.248 1.00 0.00 H new ATOM 1733 N GLN A 110 108.148 11.278 10.086 1.00 0.00 N ATOM 1734 CA GLN A 110 107.174 12.108 10.853 1.00 0.00 C ATOM 1735 C GLN A 110 107.581 12.161 12.326 1.00 0.00 C ATOM 1736 O GLN A 110 108.420 12.945 12.722 1.00 0.00 O ATOM 1737 CB GLN A 110 105.778 11.492 10.735 1.00 0.00 C ATOM 1738 CG GLN A 110 105.400 11.355 9.259 1.00 0.00 C ATOM 1739 CD GLN A 110 105.052 12.731 8.690 1.00 0.00 C ATOM 1740 OE1 GLN A 110 105.443 13.062 7.588 1.00 0.00 O ATOM 1741 NE2 GLN A 110 104.328 13.553 9.399 1.00 0.00 N ATOM 0 H GLN A 110 107.730 10.590 9.459 1.00 0.00 H new ATOM 0 HA GLN A 110 107.167 13.119 10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.759 10.515 11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.049 12.117 11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.227 10.918 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.551 10.680 9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 110 104.000 13.276 10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 110 104.090 14.473 9.028 1.00 0.00 H new ATOM 1750 N LYS A 111 106.985 11.333 13.140 1.00 0.00 N ATOM 1751 CA LYS A 111 107.322 11.325 14.592 1.00 0.00 C ATOM 1752 C LYS A 111 107.562 9.887 15.045 1.00 0.00 C ATOM 1753 O LYS A 111 108.225 9.640 16.033 1.00 0.00 O ATOM 1754 CB LYS A 111 106.159 11.922 15.386 1.00 0.00 C ATOM 1755 CG LYS A 111 104.879 11.106 15.134 1.00 0.00 C ATOM 1756 CD LYS A 111 104.632 10.140 16.302 1.00 0.00 C ATOM 1757 CE LYS A 111 103.916 10.876 17.437 1.00 0.00 C ATOM 1758 NZ LYS A 111 104.032 10.082 18.694 1.00 0.00 N ATOM 0 H LYS A 111 106.274 10.657 12.859 1.00 0.00 H new ATOM 0 HA LYS A 111 108.221 11.917 14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.396 11.923 16.450 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.002 12.960 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.027 11.777 15.020 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.972 10.547 14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 111 104.030 9.295 15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 111 105.579 9.735 16.658 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.353 11.865 17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 111 102.866 11.025 17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.546 10.581 19.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 103.595 9.148 18.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 105.036 9.962 18.937 1.00 0.00 H new ATOM 1772 N LYS A 112 107.037 8.934 14.326 1.00 0.00 N ATOM 1773 CA LYS A 112 107.247 7.522 14.708 1.00 0.00 C ATOM 1774 C LYS A 112 108.654 7.131 14.276 1.00 0.00 C ATOM 1775 O LYS A 112 109.305 6.326 14.910 1.00 0.00 O ATOM 1776 CB LYS A 112 106.196 6.646 14.008 1.00 0.00 C ATOM 1777 CG LYS A 112 105.609 5.655 15.006 1.00 0.00 C ATOM 1778 CD LYS A 112 106.671 4.623 15.393 1.00 0.00 C ATOM 1779 CE LYS A 112 106.063 3.599 16.353 1.00 0.00 C ATOM 1780 NZ LYS A 112 107.153 2.814 16.998 1.00 0.00 N ATOM 0 H LYS A 112 106.471 9.079 13.490 1.00 0.00 H new ATOM 0 HA LYS A 112 107.141 7.383 15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.405 7.271 13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.651 6.111 13.174 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.260 6.182 15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.744 5.155 14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.048 4.122 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.520 5.119 15.863 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.467 4.106 17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 112 105.391 2.932 15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 106.740 2.118 17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 107.704 2.319 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 107.777 3.456 17.527 1.00 0.00 H new ATOM 1794 N ASP A 113 109.130 7.734 13.213 1.00 0.00 N ATOM 1795 CA ASP A 113 110.509 7.458 12.719 1.00 0.00 C ATOM 1796 C ASP A 113 111.071 6.168 13.326 1.00 0.00 C ATOM 1797 O ASP A 113 111.546 6.148 14.445 1.00 0.00 O ATOM 1798 CB ASP A 113 111.391 8.646 13.103 1.00 0.00 C ATOM 1799 CG ASP A 113 111.647 8.641 14.612 1.00 0.00 C ATOM 1800 OD1 ASP A 113 110.701 8.428 15.353 1.00 0.00 O ATOM 1801 OD2 ASP A 113 112.784 8.851 15.001 1.00 0.00 O ATOM 0 H ASP A 113 108.610 8.416 12.661 1.00 0.00 H new ATOM 0 HA ASP A 113 110.488 7.325 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.338 8.596 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 113 110.907 9.578 12.811 1.00 0.00 H new ATOM 1806 N SER A 114 111.026 5.089 12.598 1.00 0.00 N ATOM 1807 CA SER A 114 111.561 3.815 13.144 1.00 0.00 C ATOM 1808 C SER A 114 113.008 4.023 13.589 1.00 0.00 C ATOM 1809 O SER A 114 113.495 3.358 14.481 1.00 0.00 O ATOM 1810 CB SER A 114 111.486 2.722 12.072 1.00 0.00 C ATOM 1811 OG SER A 114 110.382 1.870 12.351 1.00 0.00 O ATOM 0 H SER A 114 110.644 5.035 11.654 1.00 0.00 H new ATOM 0 HA SER A 114 110.966 3.504 14.003 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.374 3.171 11.085 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.411 2.146 12.057 1.00 0.00 H new ATOM 0 HG SER A 114 110.328 1.170 11.667 1.00 0.00 H new ATOM 1817 N GLN A 115 113.695 4.950 12.980 1.00 0.00 N ATOM 1818 CA GLN A 115 115.110 5.211 13.368 1.00 0.00 C ATOM 1819 C GLN A 115 115.449 6.676 13.096 1.00 0.00 C ATOM 1820 O GLN A 115 115.895 7.387 13.971 1.00 0.00 O ATOM 1821 CB GLN A 115 116.051 4.324 12.545 1.00 0.00 C ATOM 1822 CG GLN A 115 115.484 2.908 12.446 1.00 0.00 C ATOM 1823 CD GLN A 115 116.490 2.005 11.729 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.382 0.796 11.780 1.00 0.00 O ATOM 1825 NE2 GLN A 115 117.470 2.545 11.058 1.00 0.00 N ATOM 0 H GLN A 115 113.337 5.539 12.229 1.00 0.00 H new ATOM 0 HA GLN A 115 115.234 4.988 14.428 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.179 4.744 11.547 1.00 0.00 H new ATOM 0 HB3 GLN A 115 117.037 4.298 13.009 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.275 2.518 13.442 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.539 2.920 11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 115 117.560 3.560 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 115 118.146 1.952 10.576 1.00 0.00 H new ATOM 1834 N GLN A 116 115.243 7.121 11.881 1.00 0.00 N ATOM 1835 CA GLN A 116 115.561 8.544 11.522 1.00 0.00 C ATOM 1836 C GLN A 116 115.720 8.676 10.000 1.00 0.00 C ATOM 1837 O GLN A 116 115.693 9.763 9.462 1.00 0.00 O ATOM 1838 CB GLN A 116 116.883 8.968 12.175 1.00 0.00 C ATOM 1839 CG GLN A 116 117.936 7.870 11.964 1.00 0.00 C ATOM 1840 CD GLN A 116 119.332 8.495 11.921 1.00 0.00 C ATOM 1841 OE1 GLN A 116 119.896 8.821 12.946 1.00 0.00 O ATOM 1842 NE2 GLN A 116 119.917 8.677 10.769 1.00 0.00 N ATOM 0 H GLN A 116 114.867 6.560 11.117 1.00 0.00 H new ATOM 0 HA GLN A 116 114.747 9.177 11.875 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.230 9.907 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 116 116.734 9.144 13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.879 7.139 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.737 7.336 11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 116 119.444 8.403 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 116 120.848 9.093 10.730 1.00 0.00 H new ATOM 1851 N PHE A 117 115.906 7.574 9.319 1.00 0.00 N ATOM 1852 CA PHE A 117 116.091 7.587 7.828 1.00 0.00 C ATOM 1853 C PHE A 117 116.295 9.006 7.283 1.00 0.00 C ATOM 1854 O PHE A 117 117.400 9.387 6.962 1.00 0.00 O ATOM 1855 CB PHE A 117 114.866 6.968 7.159 1.00 0.00 C ATOM 1856 CG PHE A 117 114.434 5.756 7.945 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.724 5.916 9.139 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.746 4.473 7.483 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.323 4.794 9.869 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.345 3.350 8.214 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.633 3.510 9.407 1.00 0.00 C ATOM 0 H PHE A 117 115.939 6.645 9.739 1.00 0.00 H new ATOM 0 HA PHE A 117 116.987 7.009 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.055 7.695 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.100 6.686 6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.486 6.907 9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.296 4.350 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.773 4.918 10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.585 2.359 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.323 2.643 9.971 1.00 0.00 H new ATOM 1871 N HIS A 118 115.225 9.763 7.149 1.00 0.00 N ATOM 1872 CA HIS A 118 115.296 11.160 6.587 1.00 0.00 C ATOM 1873 C HIS A 118 114.739 11.110 5.167 1.00 0.00 C ATOM 1874 O HIS A 118 114.995 11.968 4.346 1.00 0.00 O ATOM 1875 CB HIS A 118 116.737 11.714 6.573 1.00 0.00 C ATOM 1876 CG HIS A 118 117.462 11.279 5.323 1.00 0.00 C ATOM 1877 ND1 HIS A 118 118.448 12.060 4.734 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.358 10.155 4.540 1.00 0.00 C ATOM 1879 CE1 HIS A 118 118.892 11.402 3.647 1.00 0.00 C ATOM 1880 NE2 HIS A 118 118.261 10.238 3.486 1.00 0.00 N ATOM 0 H HIS A 118 114.285 9.466 7.411 1.00 0.00 H new ATOM 0 HA HIS A 118 114.714 11.830 7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 118 116.714 12.802 6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.276 11.363 7.453 1.00 0.00 H new ATOM 0 HD1 HIS A 118 118.776 12.967 5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.679 9.333 4.716 1.00 0.00 H new ATOM 0 HE1 HIS A 118 119.663 11.771 2.987 1.00 0.00 H new ATOM 1889 N LEU A 119 113.974 10.086 4.894 1.00 0.00 N ATOM 1890 CA LEU A 119 113.361 9.891 3.539 1.00 0.00 C ATOM 1891 C LEU A 119 112.630 8.552 3.563 1.00 0.00 C ATOM 1892 O LEU A 119 112.601 7.809 2.609 1.00 0.00 O ATOM 1893 CB LEU A 119 114.465 9.916 2.450 1.00 0.00 C ATOM 1894 CG LEU A 119 115.161 8.537 2.203 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.040 7.570 3.396 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.594 7.864 0.937 1.00 0.00 C ATOM 0 H LEU A 119 113.741 9.357 5.568 1.00 0.00 H new ATOM 0 HA LEU A 119 112.660 10.691 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.027 10.261 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.223 10.646 2.735 1.00 0.00 H new ATOM 0 HG LEU A 119 116.221 8.754 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.544 6.633 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.503 8.018 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 119 113.987 7.374 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.090 6.906 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.523 7.703 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.768 8.507 0.074 1.00 0.00 H new ATOM 1908 N VAL A 120 112.072 8.245 4.690 1.00 0.00 N ATOM 1909 CA VAL A 120 111.365 6.951 4.888 1.00 0.00 C ATOM 1910 C VAL A 120 110.558 6.568 3.639 1.00 0.00 C ATOM 1911 O VAL A 120 110.154 7.420 2.875 1.00 0.00 O ATOM 1912 CB VAL A 120 110.456 7.109 6.109 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.316 7.535 7.303 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.387 8.186 5.840 1.00 0.00 C ATOM 0 H VAL A 120 112.074 8.852 5.509 1.00 0.00 H new ATOM 0 HA VAL A 120 112.081 6.146 5.053 1.00 0.00 H new ATOM 0 HB VAL A 120 109.956 6.163 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.684 7.653 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.071 6.773 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.806 8.483 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.746 8.289 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.874 9.139 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.783 7.893 4.981 1.00 0.00 H new ATOM 1924 N PRO A 121 110.320 5.288 3.431 1.00 0.00 N ATOM 1925 CA PRO A 121 109.546 4.799 2.257 1.00 0.00 C ATOM 1926 C PRO A 121 108.053 4.980 2.508 1.00 0.00 C ATOM 1927 O PRO A 121 107.414 4.169 3.149 1.00 0.00 O ATOM 1928 CB PRO A 121 109.927 3.321 2.172 1.00 0.00 C ATOM 1929 CG PRO A 121 110.212 2.918 3.579 1.00 0.00 C ATOM 1930 CD PRO A 121 110.748 4.166 4.291 1.00 0.00 C ATOM 0 HA PRO A 121 109.762 5.334 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.117 2.728 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.799 3.173 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.309 2.551 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.943 2.110 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.338 4.257 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.833 4.132 4.390 1.00 0.00 H new ATOM 1938 N VAL A 122 107.511 6.075 2.064 1.00 0.00 N ATOM 1939 CA VAL A 122 106.079 6.364 2.332 1.00 0.00 C ATOM 1940 C VAL A 122 105.164 5.861 1.211 1.00 0.00 C ATOM 1941 O VAL A 122 104.495 4.864 1.358 1.00 0.00 O ATOM 1942 CB VAL A 122 105.922 7.888 2.534 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.136 8.605 1.960 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.675 8.421 1.832 1.00 0.00 C ATOM 0 H VAL A 122 108.002 6.787 1.523 1.00 0.00 H new ATOM 0 HA VAL A 122 105.773 5.830 3.232 1.00 0.00 H new ATOM 0 HB VAL A 122 105.831 8.072 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.025 9.680 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.036 8.262 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.218 8.387 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.597 9.496 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.746 8.221 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.791 7.927 2.236 1.00 0.00 H new ATOM 1954 N HIS A 123 105.068 6.572 0.128 1.00 0.00 N ATOM 1955 CA HIS A 123 104.116 6.157 -0.941 1.00 0.00 C ATOM 1956 C HIS A 123 104.757 5.240 -1.975 1.00 0.00 C ATOM 1957 O HIS A 123 105.946 5.000 -1.986 1.00 0.00 O ATOM 1958 CB HIS A 123 103.590 7.408 -1.648 1.00 0.00 C ATOM 1959 CG HIS A 123 102.369 7.056 -2.453 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.454 6.533 -3.736 1.00 0.00 N ATOM 1961 CD2 HIS A 123 101.027 7.147 -2.173 1.00 0.00 C ATOM 1962 CE1 HIS A 123 101.197 6.331 -4.176 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.294 6.689 -3.261 1.00 0.00 N ATOM 0 H HIS A 123 105.603 7.419 -0.066 1.00 0.00 H new ATOM 0 HA HIS A 123 103.309 5.600 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.346 8.177 -0.915 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.360 7.821 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.607 7.517 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 123 100.951 5.929 -5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.279 6.637 -3.343 1.00 0.00 H new ATOM 1972 N LEU A 124 103.936 4.750 -2.860 1.00 0.00 N ATOM 1973 CA LEU A 124 104.396 3.864 -3.955 1.00 0.00 C ATOM 1974 C LEU A 124 104.013 4.549 -5.267 1.00 0.00 C ATOM 1975 O LEU A 124 102.852 4.612 -5.623 1.00 0.00 O ATOM 1976 CB LEU A 124 103.690 2.512 -3.845 1.00 0.00 C ATOM 1977 CG LEU A 124 104.118 1.603 -5.019 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.925 0.407 -4.495 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.878 1.096 -5.773 1.00 0.00 C ATOM 0 H LEU A 124 102.933 4.936 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 124 105.471 3.694 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.939 2.037 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.609 2.653 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 124 104.740 2.184 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.221 -0.226 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.815 0.767 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.312 -0.170 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.190 0.456 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.246 0.527 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.318 1.945 -6.164 1.00 0.00 H new ATOM 1991 N ASP A 125 104.960 5.095 -5.976 1.00 0.00 N ATOM 1992 CA ASP A 125 104.611 5.804 -7.238 1.00 0.00 C ATOM 1993 C ASP A 125 104.116 4.804 -8.285 1.00 0.00 C ATOM 1994 O ASP A 125 103.170 5.067 -9.000 1.00 0.00 O ATOM 1995 CB ASP A 125 105.843 6.561 -7.754 1.00 0.00 C ATOM 1996 CG ASP A 125 105.559 8.067 -7.751 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.265 8.592 -6.690 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.641 8.668 -8.810 1.00 0.00 O ATOM 0 H ASP A 125 105.952 5.082 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 125 103.811 6.518 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.706 6.342 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.090 6.229 -8.762 1.00 0.00 H new ATOM 2003 N ARG A 126 104.735 3.662 -8.387 1.00 0.00 N ATOM 2004 CA ARG A 126 104.273 2.667 -9.396 1.00 0.00 C ATOM 2005 C ARG A 126 105.130 1.408 -9.332 1.00 0.00 C ATOM 2006 O ARG A 126 106.050 1.305 -8.548 1.00 0.00 O ATOM 2007 CB ARG A 126 104.358 3.262 -10.808 1.00 0.00 C ATOM 2008 CG ARG A 126 105.626 4.117 -10.972 1.00 0.00 C ATOM 2009 CD ARG A 126 105.277 5.432 -11.674 1.00 0.00 C ATOM 2010 NE ARG A 126 106.527 6.089 -12.149 1.00 0.00 N ATOM 2011 CZ ARG A 126 107.110 5.672 -13.240 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.597 4.679 -13.914 1.00 0.00 N ATOM 2013 NH2 ARG A 126 108.205 6.247 -13.656 1.00 0.00 N ATOM 0 H ARG A 126 105.534 3.375 -7.821 1.00 0.00 H new ATOM 0 HA ARG A 126 103.238 2.411 -9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.359 2.459 -11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.476 3.872 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.067 4.321 -9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.371 3.572 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.611 5.242 -12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.744 6.092 -10.989 1.00 0.00 H new ATOM 0 HE ARG A 126 106.927 6.865 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.741 4.230 -13.588 1.00 0.00 H new ATOM 0 HH12 ARG A 126 107.052 4.352 -14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 126 108.606 7.023 -13.129 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.660 5.921 -14.509 1.00 0.00 H new ATOM 2027 N VAL A 127 104.824 0.447 -10.161 1.00 0.00 N ATOM 2028 CA VAL A 127 105.604 -0.821 -10.176 1.00 0.00 C ATOM 2029 C VAL A 127 106.221 -1.004 -11.566 1.00 0.00 C ATOM 2030 O VAL A 127 105.563 -0.823 -12.572 1.00 0.00 O ATOM 2031 CB VAL A 127 104.669 -1.992 -9.851 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.405 -3.007 -8.977 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.450 -1.467 -9.089 1.00 0.00 C ATOM 0 H VAL A 127 104.059 0.488 -10.835 1.00 0.00 H new ATOM 0 HA VAL A 127 106.399 -0.787 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 127 104.351 -2.470 -10.777 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.740 -3.839 -8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.280 -3.379 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.721 -2.528 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.782 -2.296 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.776 -0.992 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.922 -0.738 -9.704 1.00 0.00 H new ATOM 2043 N LEU A 128 107.482 -1.345 -11.633 1.00 0.00 N ATOM 2044 CA LEU A 128 108.147 -1.523 -12.957 1.00 0.00 C ATOM 2045 C LEU A 128 108.756 -2.925 -13.035 1.00 0.00 C ATOM 2046 O LEU A 128 108.265 -3.719 -13.820 1.00 0.00 O ATOM 2047 CB LEU A 128 109.254 -0.465 -13.102 1.00 0.00 C ATOM 2048 CG LEU A 128 109.163 0.211 -14.475 1.00 0.00 C ATOM 2049 CD1 LEU A 128 108.052 1.265 -14.460 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.498 0.888 -14.792 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.704 -3.179 -12.310 1.00 0.00 O ATOM 0 H LEU A 128 108.081 -1.508 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 128 107.420 -1.405 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.159 0.282 -12.314 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.232 -0.932 -12.982 1.00 0.00 H new ATOM 0 HG LEU A 128 108.939 -0.539 -15.234 1.00 0.00 H new ATOM 0 HD11 LEU A 128 107.991 1.743 -15.438 1.00 0.00 H new ATOM 0 HD12 LEU A 128 107.100 0.787 -14.230 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.273 2.016 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.439 1.370 -15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.717 1.636 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 128 111.291 0.140 -14.805 1.00 0.00 H new TER 2063 LEU A 128