USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 919 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 59 MET CE :methyl -126:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 SER OG : rot -160:sc= -0.988 USER MOD Set 2.1: A 51 THR OG1 : rot 92:sc= 0.52 USER MOD Set 2.2: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= 0 K(o=0.053,f=-0.92) USER MOD Set 3.2: A 28 THR OG1 : rot 150:sc= 0.0531 USER MOD Set 4.1: A 2 SER OG : rot -81:sc= 0.228 USER MOD Set 4.2: A 3 HIS : no HD1:sc= -0.673 X(o=-0.45,f=0) USER MOD Single : A 4 SER OG : rot 35:sc= 0.349 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.983 USER MOD Single : A 23 SER OG : rot -0:sc= 0.9! USER MOD Single : A 31 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.00746 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.25! K(o=-3.2!,f=-1.7) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -4.78 USER MOD Single : A 44 THR OG1 : rot -49:sc= 0.853 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2 K(o=-2,f=-4!) USER MOD Single : A 54 SER OG : rot -39:sc= 0.19 USER MOD Single : A 55 SER OG : rot 180:sc= -0.844 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 178:sc= -1.39 (180deg=-1.51) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.0435 (180deg=-0.293) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 78 ASN : amide:sc= -3.59 K(o=-3.6,f=-5.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 87 HIS : no HE2:sc= 0.00402 X(o=0.004,f=-0.047) USER MOD Single : A 88 MET CE :methyl -134:sc= -1.98 (180deg=-5.44!) USER MOD Single : A 92 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.85) USER MOD Single : A 93 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 99 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.6) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.284 (180deg=-0.894) USER MOD Single : A 102 MET CE :methyl 139:sc= -0.0995 (180deg=-0.619) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.6) USER MOD Single : A 106 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.2) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -2.01 USER MOD Single : A 112 LYS NZ :NH3+ 146:sc= -0.095 (180deg=-0.458) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.488 9.549 7.483 1.00 0.00 N ATOM 2 CA PRO A 1 -13.279 8.703 7.496 1.00 0.00 C ATOM 3 C PRO A 1 -12.636 8.609 6.114 1.00 0.00 C ATOM 4 O PRO A 1 -12.902 7.674 5.358 1.00 0.00 O ATOM 5 CB PRO A 1 -13.719 7.327 7.981 1.00 0.00 C ATOM 6 CG PRO A 1 -15.076 7.554 8.578 1.00 0.00 C ATOM 7 CD PRO A 1 -15.666 8.776 7.902 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.637 9.924 6.546 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.358 10.346 8.106 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.522 9.134 8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.762 6.612 7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.024 6.925 8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.714 6.684 8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.002 7.708 9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.287 8.501 7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.296 9.346 8.585 1.00 0.00 H new ATOM 17 N SER A 2 -11.790 9.582 5.793 1.00 0.00 N ATOM 18 CA SER A 2 -11.109 9.609 4.504 1.00 0.00 C ATOM 19 C SER A 2 -9.600 9.729 4.687 1.00 0.00 C ATOM 20 O SER A 2 -9.128 10.360 5.634 1.00 0.00 O ATOM 21 CB SER A 2 -11.625 10.773 3.656 1.00 0.00 C ATOM 22 OG SER A 2 -11.029 10.773 2.371 1.00 0.00 O ATOM 0 H SER A 2 -11.560 10.362 6.408 1.00 0.00 H new ATOM 0 HA SER A 2 -11.321 8.671 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.708 10.703 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.411 11.716 4.159 1.00 0.00 H new ATOM 0 HG SER A 2 -10.138 11.178 2.424 1.00 0.00 H new ATOM 28 N HIS A 3 -8.848 9.120 3.777 1.00 0.00 N ATOM 29 CA HIS A 3 -7.392 9.159 3.839 1.00 0.00 C ATOM 30 C HIS A 3 -6.882 8.530 5.131 1.00 0.00 C ATOM 31 O HIS A 3 -5.816 8.892 5.631 1.00 0.00 O ATOM 32 CB HIS A 3 -6.895 10.601 3.730 1.00 0.00 C ATOM 33 CG HIS A 3 -7.015 11.174 2.352 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.044 12.008 1.972 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.228 11.028 1.261 1.00 0.00 C ATOM 36 CE1 HIS A 3 -7.885 12.351 0.705 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.790 11.769 0.252 1.00 0.00 N ATOM 0 H HIS A 3 -9.223 8.594 2.988 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.004 8.582 2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.459 11.224 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.851 10.641 4.042 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.326 10.438 1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.539 12.997 0.138 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.421 11.856 -0.695 1.00 0.00 H new ATOM 46 N SER A 4 -7.648 7.586 5.669 1.00 0.00 N ATOM 47 CA SER A 4 -7.271 6.908 6.904 1.00 0.00 C ATOM 48 C SER A 4 -8.295 5.839 7.273 1.00 0.00 C ATOM 49 O SER A 4 -9.477 6.133 7.458 1.00 0.00 O ATOM 50 CB SER A 4 -7.134 7.917 8.046 1.00 0.00 C ATOM 51 OG SER A 4 -8.356 8.596 8.277 1.00 0.00 O ATOM 0 H SER A 4 -8.533 7.274 5.269 1.00 0.00 H new ATOM 0 HA SER A 4 -6.309 6.423 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.823 7.402 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.353 8.639 7.806 1.00 0.00 H new ATOM 0 HG SER A 4 -9.105 7.983 8.124 1.00 0.00 H new ATOM 57 N GLY A 5 -7.830 4.600 7.380 1.00 0.00 N ATOM 58 CA GLY A 5 -8.710 3.503 7.727 1.00 0.00 C ATOM 59 C GLY A 5 -7.943 2.298 8.234 1.00 0.00 C ATOM 60 O GLY A 5 -6.777 2.108 7.884 1.00 0.00 O ATOM 0 H GLY A 5 -6.856 4.336 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.415 3.831 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.296 3.218 6.853 1.00 0.00 H new ATOM 64 N ALA A 6 -8.588 1.485 9.061 1.00 0.00 N ATOM 65 CA ALA A 6 -7.944 0.301 9.610 1.00 0.00 C ATOM 66 C ALA A 6 -7.616 -0.706 8.518 1.00 0.00 C ATOM 67 O ALA A 6 -8.406 -0.924 7.600 1.00 0.00 O ATOM 68 CB ALA A 6 -8.816 -0.343 10.672 1.00 0.00 C ATOM 0 H ALA A 6 -9.552 1.624 9.365 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.009 0.619 10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.315 -1.226 11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.991 0.368 11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.770 -0.634 10.232 1.00 0.00 H new ATOM 74 N ALA A 7 -6.444 -1.317 8.626 1.00 0.00 N ATOM 75 CA ALA A 7 -6.008 -2.305 7.649 1.00 0.00 C ATOM 76 C ALA A 7 -4.968 -3.258 8.232 1.00 0.00 C ATOM 77 O ALA A 7 -4.171 -2.873 9.088 1.00 0.00 O ATOM 78 CB ALA A 7 -5.450 -1.610 6.416 1.00 0.00 C ATOM 0 H ALA A 7 -5.779 -1.146 9.380 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.878 -2.898 7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.127 -2.358 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.223 -0.984 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.600 -0.990 6.701 1.00 0.00 H new ATOM 84 N ILE A 8 -4.977 -4.504 7.760 1.00 0.00 N ATOM 85 CA ILE A 8 -4.033 -5.511 8.233 1.00 0.00 C ATOM 86 C ILE A 8 -2.837 -5.626 7.302 1.00 0.00 C ATOM 87 O ILE A 8 -2.971 -5.542 6.082 1.00 0.00 O ATOM 88 CB ILE A 8 -4.684 -6.897 8.320 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.994 -6.832 9.089 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.744 -7.907 8.966 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.834 -8.059 8.875 1.00 0.00 C ATOM 0 H ILE A 8 -5.629 -4.839 7.050 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.713 -5.186 9.223 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.894 -7.227 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.785 -6.717 10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.554 -5.950 8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.233 -8.880 9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.833 -7.987 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.493 -7.577 9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.760 -7.970 9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.067 -8.160 7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.285 -8.939 9.212 1.00 0.00 H new ATOM 103 N PHE A 9 -1.676 -5.851 7.892 1.00 0.00 N ATOM 104 CA PHE A 9 -0.452 -6.016 7.127 1.00 0.00 C ATOM 105 C PHE A 9 0.457 -7.026 7.814 1.00 0.00 C ATOM 106 O PHE A 9 1.056 -6.738 8.849 1.00 0.00 O ATOM 107 CB PHE A 9 0.263 -4.676 6.958 1.00 0.00 C ATOM 108 CG PHE A 9 1.534 -4.774 6.168 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.528 -5.289 4.883 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.735 -4.351 6.711 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.700 -5.381 4.153 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.908 -4.439 5.988 1.00 0.00 C ATOM 113 CZ PHE A 9 3.890 -4.955 4.707 1.00 0.00 C ATOM 0 H PHE A 9 -1.555 -5.924 8.902 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.706 -6.390 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.409 -3.974 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.487 -4.265 7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.599 -5.623 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.755 -3.947 7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.683 -5.785 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.838 -4.105 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.806 -5.025 4.139 1.00 0.00 H new ATOM 123 N GLU A 10 0.542 -8.220 7.231 1.00 0.00 N ATOM 124 CA GLU A 10 1.361 -9.298 7.772 1.00 0.00 C ATOM 125 C GLU A 10 0.668 -9.982 8.952 1.00 0.00 C ATOM 126 O GLU A 10 1.274 -10.192 10.003 1.00 0.00 O ATOM 127 CB GLU A 10 2.734 -8.776 8.198 1.00 0.00 C ATOM 128 CG GLU A 10 3.418 -7.926 7.139 1.00 0.00 C ATOM 129 CD GLU A 10 4.824 -7.520 7.536 1.00 0.00 C ATOM 130 OE1 GLU A 10 4.964 -6.590 8.358 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.785 -8.131 7.025 1.00 0.00 O ATOM 0 H GLU A 10 0.047 -8.465 6.374 1.00 0.00 H new ATOM 0 HA GLU A 10 1.497 -10.036 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.623 -8.187 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.375 -9.623 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.455 -8.481 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.823 -7.031 6.957 1.00 0.00 H new ATOM 138 N LYS A 11 -0.600 -10.350 8.760 1.00 0.00 N ATOM 139 CA LYS A 11 -1.370 -11.033 9.784 1.00 0.00 C ATOM 140 C LYS A 11 -1.545 -10.190 11.046 1.00 0.00 C ATOM 141 O LYS A 11 -1.966 -10.702 12.084 1.00 0.00 O ATOM 142 CB LYS A 11 -0.698 -12.355 10.111 1.00 0.00 C ATOM 143 CG LYS A 11 -1.081 -13.467 9.153 1.00 0.00 C ATOM 144 CD LYS A 11 -2.354 -14.173 9.596 1.00 0.00 C ATOM 145 CE LYS A 11 -2.628 -15.407 8.754 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.551 -15.115 7.623 1.00 0.00 N ATOM 0 H LYS A 11 -1.113 -10.182 7.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.371 -11.210 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.384 -12.221 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.963 -12.650 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.221 -13.055 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.267 -14.189 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.267 -14.459 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.197 -13.486 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.688 -15.796 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.059 -16.186 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.712 -15.983 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.458 -14.768 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.129 -14.390 7.009 1.00 0.00 H new ATOM 160 N VAL A 12 -1.254 -8.896 10.951 1.00 0.00 N ATOM 161 CA VAL A 12 -1.417 -8.001 12.074 1.00 0.00 C ATOM 162 C VAL A 12 -2.308 -6.843 11.658 1.00 0.00 C ATOM 163 O VAL A 12 -2.209 -6.354 10.534 1.00 0.00 O ATOM 164 CB VAL A 12 -0.064 -7.474 12.593 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.269 -6.472 13.721 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.814 -8.626 13.053 1.00 0.00 C ATOM 0 H VAL A 12 -0.904 -8.451 10.103 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.879 -8.555 12.891 1.00 0.00 H new ATOM 0 HB VAL A 12 0.440 -6.962 11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.700 -6.114 14.071 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.857 -5.629 13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.797 -6.954 14.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.765 -8.236 13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.313 -9.167 13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.994 -9.302 12.217 1.00 0.00 H new ATOM 176 N SER A 13 -3.201 -6.427 12.543 1.00 0.00 N ATOM 177 CA SER A 13 -4.122 -5.344 12.225 1.00 0.00 C ATOM 178 C SER A 13 -3.695 -4.033 12.864 1.00 0.00 C ATOM 179 O SER A 13 -3.138 -4.007 13.962 1.00 0.00 O ATOM 180 CB SER A 13 -5.540 -5.705 12.670 1.00 0.00 C ATOM 181 OG SER A 13 -5.847 -7.051 12.355 1.00 0.00 O ATOM 0 H SER A 13 -3.308 -6.818 13.479 1.00 0.00 H new ATOM 0 HA SER A 13 -4.106 -5.208 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.638 -5.548 13.744 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.256 -5.042 12.185 1.00 0.00 H new ATOM 0 HG SER A 13 -6.758 -7.257 12.651 1.00 0.00 H new ATOM 187 N GLY A 14 -3.971 -2.948 12.157 1.00 0.00 N ATOM 188 CA GLY A 14 -3.629 -1.629 12.638 1.00 0.00 C ATOM 189 C GLY A 14 -4.326 -0.551 11.836 1.00 0.00 C ATOM 190 O GLY A 14 -5.076 -0.852 10.907 1.00 0.00 O ATOM 0 H GLY A 14 -4.432 -2.961 11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.906 -1.540 13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.550 -1.487 12.580 1.00 0.00 H new ATOM 194 N ILE A 15 -4.087 0.705 12.184 1.00 0.00 N ATOM 195 CA ILE A 15 -4.708 1.813 11.477 1.00 0.00 C ATOM 196 C ILE A 15 -3.812 2.320 10.355 1.00 0.00 C ATOM 197 O ILE A 15 -2.639 2.632 10.565 1.00 0.00 O ATOM 198 CB ILE A 15 -5.066 2.962 12.439 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.134 2.476 13.431 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.536 4.191 11.664 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.431 3.262 13.397 1.00 0.00 C ATOM 0 H ILE A 15 -3.470 0.981 12.948 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.632 1.440 11.036 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.179 3.258 12.999 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.354 1.429 13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.723 2.522 14.439 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.783 4.990 12.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.742 4.526 10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.419 3.936 11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.126 2.850 14.129 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.230 4.306 13.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.871 3.196 12.402 1.00 0.00 H new ATOM 213 N ILE A 16 -4.382 2.380 9.158 1.00 0.00 N ATOM 214 CA ILE A 16 -3.663 2.825 7.979 1.00 0.00 C ATOM 215 C ILE A 16 -4.022 4.269 7.634 1.00 0.00 C ATOM 216 O ILE A 16 -5.190 4.596 7.417 1.00 0.00 O ATOM 217 CB ILE A 16 -3.990 1.891 6.784 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.801 0.976 6.496 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.383 2.683 5.539 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.947 0.160 5.228 1.00 0.00 C ATOM 0 H ILE A 16 -5.353 2.122 8.981 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.594 2.783 8.187 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.849 1.279 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.898 1.582 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.664 0.298 7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.604 1.994 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.265 3.285 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.560 3.336 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.063 -0.464 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.831 -0.474 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.052 0.830 4.374 1.00 0.00 H new ATOM 232 N ALA A 17 -3.008 5.123 7.576 1.00 0.00 N ATOM 233 CA ALA A 17 -3.209 6.528 7.249 1.00 0.00 C ATOM 234 C ALA A 17 -2.423 6.906 5.999 1.00 0.00 C ATOM 235 O ALA A 17 -1.309 6.428 5.787 1.00 0.00 O ATOM 236 CB ALA A 17 -2.803 7.411 8.417 1.00 0.00 C ATOM 0 H ALA A 17 -2.037 4.866 7.752 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.269 6.684 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.960 8.457 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.407 7.161 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.750 7.249 8.647 1.00 0.00 H new ATOM 242 N ILE A 18 -3.010 7.763 5.174 1.00 0.00 N ATOM 243 CA ILE A 18 -2.366 8.200 3.947 1.00 0.00 C ATOM 244 C ILE A 18 -1.807 9.614 4.102 1.00 0.00 C ATOM 245 O ILE A 18 -2.558 10.572 4.282 1.00 0.00 O ATOM 246 CB ILE A 18 -3.355 8.139 2.760 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.176 6.828 1.993 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.182 9.330 1.827 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.369 6.459 1.139 1.00 0.00 C ATOM 0 H ILE A 18 -3.932 8.169 5.334 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.537 7.523 3.741 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.367 8.180 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.294 6.906 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.986 6.024 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.893 9.254 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.362 10.253 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.167 9.337 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.171 5.519 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.249 6.348 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.547 7.244 0.404 1.00 0.00 H new ATOM 261 N ASN A 19 -0.486 9.732 4.028 1.00 0.00 N ATOM 262 CA ASN A 19 0.170 11.025 4.156 1.00 0.00 C ATOM 263 C ASN A 19 0.540 11.581 2.787 1.00 0.00 C ATOM 264 O ASN A 19 1.442 11.074 2.122 1.00 0.00 O ATOM 265 CB ASN A 19 1.423 10.903 5.025 1.00 0.00 C ATOM 266 CG ASN A 19 1.099 10.524 6.457 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.051 10.612 6.889 1.00 0.00 O ATOM 268 ND2 ASN A 19 2.114 10.101 7.202 1.00 0.00 N ATOM 0 H ASN A 19 0.150 8.948 3.880 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.527 11.713 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.088 10.154 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.962 11.850 5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.957 9.833 8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.051 10.044 6.803 1.00 0.00 H new ATOM 275 N GLU A 20 -0.160 12.632 2.377 1.00 0.00 N ATOM 276 CA GLU A 20 0.095 13.265 1.089 1.00 0.00 C ATOM 277 C GLU A 20 0.743 14.636 1.273 1.00 0.00 C ATOM 278 O GLU A 20 1.154 15.272 0.304 1.00 0.00 O ATOM 279 CB GLU A 20 -1.208 13.404 0.299 1.00 0.00 C ATOM 280 CG GLU A 20 -1.888 12.075 0.009 1.00 0.00 C ATOM 281 CD GLU A 20 -3.137 12.230 -0.836 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.597 13.378 -1.013 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.657 11.203 -1.320 1.00 0.00 O ATOM 0 H GLU A 20 -0.909 13.064 2.918 1.00 0.00 H new ATOM 0 HA GLU A 20 0.784 12.631 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.895 14.040 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.999 13.909 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.187 11.417 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.149 11.592 0.951 1.00 0.00 H new ATOM 290 N ASP A 21 0.828 15.086 2.523 1.00 0.00 N ATOM 291 CA ASP A 21 1.424 16.379 2.830 1.00 0.00 C ATOM 292 C ASP A 21 2.876 16.439 2.373 1.00 0.00 C ATOM 293 O ASP A 21 3.436 17.521 2.202 1.00 0.00 O ATOM 294 CB ASP A 21 1.339 16.658 4.332 1.00 0.00 C ATOM 295 CG ASP A 21 -0.089 16.847 4.806 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.976 17.053 3.952 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.319 16.787 6.033 1.00 0.00 O ATOM 0 H ASP A 21 0.491 14.573 3.338 1.00 0.00 H new ATOM 0 HA ASP A 21 0.864 17.143 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.794 15.832 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.918 17.552 4.566 1.00 0.00 H new ATOM 302 N VAL A 22 3.483 15.274 2.174 1.00 0.00 N ATOM 303 CA VAL A 22 4.864 15.209 1.737 1.00 0.00 C ATOM 304 C VAL A 22 4.945 15.013 0.225 1.00 0.00 C ATOM 305 O VAL A 22 3.975 15.250 -0.494 1.00 0.00 O ATOM 306 CB VAL A 22 5.636 14.086 2.475 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.499 12.749 1.761 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.100 14.465 2.653 1.00 0.00 C ATOM 0 H VAL A 22 3.038 14.366 2.309 1.00 0.00 H new ATOM 0 HA VAL A 22 5.336 16.159 1.987 1.00 0.00 H new ATOM 0 HB VAL A 22 5.191 13.973 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.053 11.986 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.447 12.468 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.898 12.834 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.623 13.663 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.557 14.622 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.170 15.382 3.238 1.00 0.00 H new ATOM 318 N SER A 23 6.102 14.578 -0.247 1.00 0.00 N ATOM 319 CA SER A 23 6.306 14.348 -1.670 1.00 0.00 C ATOM 320 C SER A 23 7.584 13.545 -1.914 1.00 0.00 C ATOM 321 O SER A 23 8.686 14.029 -1.658 1.00 0.00 O ATOM 322 CB SER A 23 6.377 15.679 -2.419 1.00 0.00 C ATOM 323 OG SER A 23 7.669 16.254 -2.320 1.00 0.00 O ATOM 0 H SER A 23 6.916 14.377 0.334 1.00 0.00 H new ATOM 0 HA SER A 23 5.459 13.773 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.125 15.523 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.637 16.368 -2.012 1.00 0.00 H new ATOM 0 HG SER A 23 8.245 15.674 -1.780 1.00 0.00 H new ATOM 329 N PRO A 24 7.458 12.299 -2.412 1.00 0.00 N ATOM 330 CA PRO A 24 6.164 11.683 -2.732 1.00 0.00 C ATOM 331 C PRO A 24 5.377 11.297 -1.484 1.00 0.00 C ATOM 332 O PRO A 24 5.957 11.017 -0.434 1.00 0.00 O ATOM 333 CB PRO A 24 6.555 10.434 -3.521 1.00 0.00 C ATOM 334 CG PRO A 24 7.916 10.088 -3.025 1.00 0.00 C ATOM 335 CD PRO A 24 8.586 11.395 -2.704 1.00 0.00 C ATOM 0 HA PRO A 24 5.513 12.366 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.851 9.620 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.561 10.628 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.859 9.452 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.478 9.537 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.257 11.303 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.183 11.756 -3.541 1.00 0.00 H new ATOM 343 N ALA A 25 4.053 11.275 -1.608 1.00 0.00 N ATOM 344 CA ALA A 25 3.181 10.914 -0.493 1.00 0.00 C ATOM 345 C ALA A 25 3.577 9.555 0.081 1.00 0.00 C ATOM 346 O ALA A 25 4.422 8.860 -0.480 1.00 0.00 O ATOM 347 CB ALA A 25 1.729 10.893 -0.947 1.00 0.00 C ATOM 0 H ALA A 25 3.559 11.503 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 25 3.293 11.664 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.089 10.623 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.448 11.880 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.608 10.161 -1.746 1.00 0.00 H new ATOM 353 N GLU A 26 2.967 9.181 1.203 1.00 0.00 N ATOM 354 CA GLU A 26 3.273 7.905 1.841 1.00 0.00 C ATOM 355 C GLU A 26 2.054 7.336 2.563 1.00 0.00 C ATOM 356 O GLU A 26 1.105 8.058 2.869 1.00 0.00 O ATOM 357 CB GLU A 26 4.429 8.072 2.829 1.00 0.00 C ATOM 358 CG GLU A 26 5.732 8.498 2.172 1.00 0.00 C ATOM 359 CD GLU A 26 6.882 8.579 3.157 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.622 8.547 4.379 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.042 8.680 2.707 1.00 0.00 O ATOM 0 H GLU A 26 2.263 9.739 1.686 1.00 0.00 H new ATOM 0 HA GLU A 26 3.563 7.204 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.151 8.812 3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.587 7.130 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.984 7.791 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.595 9.470 1.698 1.00 0.00 H new ATOM 368 N LEU A 27 2.093 6.034 2.834 1.00 0.00 N ATOM 369 CA LEU A 27 1.002 5.355 3.525 1.00 0.00 C ATOM 370 C LEU A 27 1.500 4.738 4.831 1.00 0.00 C ATOM 371 O LEU A 27 2.281 3.787 4.820 1.00 0.00 O ATOM 372 CB LEU A 27 0.401 4.271 2.625 1.00 0.00 C ATOM 373 CG LEU A 27 -0.526 3.278 3.327 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.645 4.014 4.049 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.092 2.281 2.328 1.00 0.00 C ATOM 0 H LEU A 27 2.873 5.426 2.584 1.00 0.00 H new ATOM 0 HA LEU A 27 0.230 6.088 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.154 4.756 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.215 3.716 2.160 1.00 0.00 H new ATOM 0 HG LEU A 27 0.053 2.727 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.296 3.292 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.218 4.686 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.225 4.591 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.750 1.582 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.657 2.813 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.275 1.732 1.859 1.00 0.00 H new ATOM 387 N THR A 28 1.062 5.299 5.954 1.00 0.00 N ATOM 388 CA THR A 28 1.468 4.835 7.254 1.00 0.00 C ATOM 389 C THR A 28 0.529 3.760 7.795 1.00 0.00 C ATOM 390 O THR A 28 -0.678 3.789 7.550 1.00 0.00 O ATOM 391 CB THR A 28 1.489 6.030 8.192 1.00 0.00 C ATOM 392 OG1 THR A 28 1.379 7.244 7.467 1.00 0.00 O ATOM 393 CG2 THR A 28 2.742 6.112 9.015 1.00 0.00 C ATOM 0 H THR A 28 0.416 6.088 5.976 1.00 0.00 H new ATOM 0 HA THR A 28 2.457 4.382 7.178 1.00 0.00 H new ATOM 0 HB THR A 28 0.637 5.888 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.928 7.916 8.020 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.695 6.987 9.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.837 5.213 9.624 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.606 6.196 8.355 1.00 0.00 H new ATOM 401 N TRP A 29 1.097 2.823 8.543 1.00 0.00 N ATOM 402 CA TRP A 29 0.338 1.741 9.143 1.00 0.00 C ATOM 403 C TRP A 29 0.738 1.554 10.599 1.00 0.00 C ATOM 404 O TRP A 29 1.839 1.090 10.893 1.00 0.00 O ATOM 405 CB TRP A 29 0.570 0.434 8.390 1.00 0.00 C ATOM 406 CG TRP A 29 -0.186 -0.711 8.983 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.522 -0.746 9.241 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.340 -1.974 9.409 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.869 -1.959 9.783 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.743 -2.729 9.896 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.616 -2.546 9.420 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.590 -4.018 10.386 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.765 -3.831 9.910 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.665 -4.556 10.386 1.00 0.00 C ATOM 0 H TRP A 29 2.096 2.794 8.749 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.718 2.004 9.086 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.273 0.561 7.349 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.635 0.202 8.392 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.210 0.064 9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.811 -2.240 10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.469 -1.995 9.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.436 -4.578 10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.746 -4.283 9.926 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.812 -5.559 10.760 1.00 0.00 H new ATOM 425 N ARG A 30 -0.159 1.901 11.506 1.00 0.00 N ATOM 426 CA ARG A 30 0.116 1.746 12.929 1.00 0.00 C ATOM 427 C ARG A 30 -0.620 0.528 13.474 1.00 0.00 C ATOM 428 O ARG A 30 -1.830 0.403 13.301 1.00 0.00 O ATOM 429 CB ARG A 30 -0.303 3.002 13.697 1.00 0.00 C ATOM 430 CG ARG A 30 0.627 4.186 13.486 1.00 0.00 C ATOM 431 CD ARG A 30 0.154 5.408 14.257 1.00 0.00 C ATOM 432 NE ARG A 30 -1.223 5.765 13.926 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.985 6.553 14.681 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.509 7.069 15.806 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.228 6.825 14.307 1.00 0.00 N ATOM 0 H ARG A 30 -1.077 2.289 11.288 1.00 0.00 H new ATOM 0 HA ARG A 30 1.188 1.601 13.062 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.311 3.284 13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.345 2.769 14.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.635 3.920 13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.681 4.423 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.231 5.214 15.327 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.810 6.251 14.038 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.624 5.389 13.067 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.554 6.863 16.097 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.098 7.672 16.380 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.598 6.431 13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.814 7.429 14.884 1.00 0.00 H new ATOM 449 N SER A 31 0.110 -0.371 14.128 1.00 0.00 N ATOM 450 CA SER A 31 -0.495 -1.572 14.680 1.00 0.00 C ATOM 451 C SER A 31 -1.561 -1.217 15.704 1.00 0.00 C ATOM 452 O SER A 31 -1.574 -0.112 16.247 1.00 0.00 O ATOM 453 CB SER A 31 0.575 -2.464 15.316 1.00 0.00 C ATOM 454 OG SER A 31 -0.001 -3.384 16.228 1.00 0.00 O ATOM 0 H SER A 31 1.114 -0.289 14.286 1.00 0.00 H new ATOM 0 HA SER A 31 -0.970 -2.120 13.866 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.110 -3.007 14.537 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.308 -1.845 15.834 1.00 0.00 H new ATOM 0 HG SER A 31 0.704 -3.942 16.618 1.00 0.00 H new ATOM 460 N THR A 32 -2.447 -2.164 15.970 1.00 0.00 N ATOM 461 CA THR A 32 -3.511 -1.972 16.929 1.00 0.00 C ATOM 462 C THR A 32 -2.926 -1.670 18.302 1.00 0.00 C ATOM 463 O THR A 32 -3.509 -0.938 19.100 1.00 0.00 O ATOM 464 CB THR A 32 -4.354 -3.242 16.968 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.414 -3.174 16.032 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.947 -3.539 18.317 1.00 0.00 C ATOM 0 H THR A 32 -2.445 -3.082 15.526 1.00 0.00 H new ATOM 0 HA THR A 32 -4.136 -1.127 16.639 1.00 0.00 H new ATOM 0 HB THR A 32 -3.660 -4.045 16.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.070 -3.363 15.134 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.532 -4.457 18.263 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.147 -3.661 19.047 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.592 -2.715 18.620 1.00 0.00 H new ATOM 474 N ASP A 33 -1.768 -2.254 18.556 1.00 0.00 N ATOM 475 CA ASP A 33 -1.077 -2.073 19.825 1.00 0.00 C ATOM 476 C ASP A 33 -0.494 -0.671 19.935 1.00 0.00 C ATOM 477 O ASP A 33 -0.417 -0.099 21.022 1.00 0.00 O ATOM 478 CB ASP A 33 0.030 -3.116 19.981 1.00 0.00 C ATOM 479 CG ASP A 33 0.535 -3.215 21.408 1.00 0.00 C ATOM 480 OD1 ASP A 33 -0.054 -3.989 22.193 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.516 -2.518 21.741 1.00 0.00 O ATOM 0 H ASP A 33 -1.282 -2.862 17.897 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.804 -2.205 20.626 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.344 -4.089 19.663 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.860 -2.862 19.322 1.00 0.00 H new ATOM 486 N GLY A 34 -0.082 -0.132 18.800 1.00 0.00 N ATOM 487 CA GLY A 34 0.497 1.196 18.774 1.00 0.00 C ATOM 488 C GLY A 34 1.975 1.182 19.097 1.00 0.00 C ATOM 489 O GLY A 34 2.533 2.184 19.543 1.00 0.00 O ATOM 0 H GLY A 34 -0.138 -0.592 17.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.346 1.637 17.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.024 1.832 19.490 1.00 0.00 H new ATOM 493 N ASP A 35 2.608 0.037 18.870 1.00 0.00 N ATOM 494 CA ASP A 35 4.031 -0.116 19.137 1.00 0.00 C ATOM 495 C ASP A 35 4.820 -0.284 17.840 1.00 0.00 C ATOM 496 O ASP A 35 6.029 -0.057 17.807 1.00 0.00 O ATOM 497 CB ASP A 35 4.276 -1.315 20.055 1.00 0.00 C ATOM 498 CG ASP A 35 3.824 -1.056 21.480 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.409 0.085 21.775 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.884 -1.996 22.301 1.00 0.00 O ATOM 0 H ASP A 35 2.156 -0.800 18.501 1.00 0.00 H new ATOM 0 HA ASP A 35 4.377 0.790 19.634 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.748 -2.184 19.662 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.338 -1.560 20.053 1.00 0.00 H new ATOM 505 N LYS A 36 4.130 -0.680 16.776 1.00 0.00 N ATOM 506 CA LYS A 36 4.768 -0.871 15.481 1.00 0.00 C ATOM 507 C LYS A 36 4.109 0.000 14.420 1.00 0.00 C ATOM 508 O LYS A 36 2.892 -0.040 14.237 1.00 0.00 O ATOM 509 CB LYS A 36 4.702 -2.345 15.068 1.00 0.00 C ATOM 510 CG LYS A 36 6.028 -3.072 15.208 1.00 0.00 C ATOM 511 CD LYS A 36 5.935 -4.506 14.710 1.00 0.00 C ATOM 512 CE LYS A 36 7.207 -5.282 15.005 1.00 0.00 C ATOM 513 NZ LYS A 36 8.099 -5.358 13.816 1.00 0.00 N ATOM 0 H LYS A 36 3.129 -0.875 16.786 1.00 0.00 H new ATOM 0 HA LYS A 36 5.813 -0.575 15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.953 -2.852 15.676 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.369 -2.410 14.032 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.796 -2.540 14.647 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.337 -3.068 16.253 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.087 -5.002 15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.747 -4.508 13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.740 -4.806 15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.950 -6.290 15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.956 -5.895 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.600 -5.834 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.365 -4.397 13.520 1.00 0.00 H new ATOM 527 N VAL A 37 4.919 0.788 13.725 1.00 0.00 N ATOM 528 CA VAL A 37 4.415 1.671 12.683 1.00 0.00 C ATOM 529 C VAL A 37 5.143 1.439 11.365 1.00 0.00 C ATOM 530 O VAL A 37 6.363 1.586 11.284 1.00 0.00 O ATOM 531 CB VAL A 37 4.560 3.152 13.083 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.898 4.054 12.051 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.971 3.391 14.465 1.00 0.00 C ATOM 0 H VAL A 37 5.928 0.833 13.865 1.00 0.00 H new ATOM 0 HA VAL A 37 3.358 1.438 12.556 1.00 0.00 H new ATOM 0 HB VAL A 37 5.622 3.397 13.117 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.011 5.095 12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.370 3.903 11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.838 3.810 11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.082 4.442 14.731 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.913 3.128 14.460 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.495 2.774 15.195 1.00 0.00 H new ATOM 543 N HIS A 38 4.387 1.077 10.335 1.00 0.00 N ATOM 544 CA HIS A 38 4.964 0.827 9.017 1.00 0.00 C ATOM 545 C HIS A 38 4.585 1.924 8.037 1.00 0.00 C ATOM 546 O HIS A 38 3.470 2.436 8.057 1.00 0.00 O ATOM 547 CB HIS A 38 4.518 -0.522 8.464 1.00 0.00 C ATOM 548 CG HIS A 38 5.157 -0.876 7.157 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.945 -1.996 6.981 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.116 -0.254 5.954 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.361 -2.046 5.728 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.872 -1.001 5.084 1.00 0.00 N ATOM 0 H HIS A 38 3.376 0.950 10.385 1.00 0.00 H new ATOM 0 HA HIS A 38 6.047 0.817 9.139 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.749 -1.298 9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.435 -0.514 8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.587 0.659 5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.993 -2.811 5.302 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.030 -0.784 4.100 1.00 0.00 H new ATOM 561 N THR A 39 5.526 2.275 7.183 1.00 0.00 N ATOM 562 CA THR A 39 5.306 3.314 6.183 1.00 0.00 C ATOM 563 C THR A 39 5.525 2.767 4.777 1.00 0.00 C ATOM 564 O THR A 39 6.526 2.103 4.508 1.00 0.00 O ATOM 565 CB THR A 39 6.239 4.500 6.434 1.00 0.00 C ATOM 566 OG1 THR A 39 6.146 4.934 7.779 1.00 0.00 O ATOM 567 CG2 THR A 39 5.947 5.689 5.545 1.00 0.00 C ATOM 0 H THR A 39 6.456 1.857 7.158 1.00 0.00 H new ATOM 0 HA THR A 39 4.273 3.652 6.266 1.00 0.00 H new ATOM 0 HB THR A 39 7.240 4.135 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.751 5.692 7.921 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.644 6.495 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.059 5.399 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.927 6.031 5.719 1.00 0.00 H new ATOM 575 N VAL A 40 4.582 3.048 3.884 1.00 0.00 N ATOM 576 CA VAL A 40 4.671 2.582 2.505 1.00 0.00 C ATOM 577 C VAL A 40 4.755 3.751 1.533 1.00 0.00 C ATOM 578 O VAL A 40 4.111 4.782 1.728 1.00 0.00 O ATOM 579 CB VAL A 40 3.462 1.707 2.125 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.670 1.069 0.761 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.213 0.645 3.185 1.00 0.00 C ATOM 0 H VAL A 40 3.747 3.596 4.091 1.00 0.00 H new ATOM 0 HA VAL A 40 5.580 1.985 2.435 1.00 0.00 H new ATOM 0 HB VAL A 40 2.581 2.346 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.805 0.455 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.791 1.849 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.563 0.445 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.355 0.038 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.093 0.009 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.012 1.126 4.142 1.00 0.00 H new ATOM 591 N VAL A 41 5.547 3.584 0.479 1.00 0.00 N ATOM 592 CA VAL A 41 5.705 4.626 -0.528 1.00 0.00 C ATOM 593 C VAL A 41 4.657 4.480 -1.622 1.00 0.00 C ATOM 594 O VAL A 41 4.562 3.441 -2.274 1.00 0.00 O ATOM 595 CB VAL A 41 7.107 4.585 -1.164 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.322 5.794 -2.061 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.180 4.515 -0.088 1.00 0.00 C ATOM 0 H VAL A 41 6.088 2.738 0.300 1.00 0.00 H new ATOM 0 HA VAL A 41 5.575 5.584 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 41 7.181 3.687 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.318 5.748 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.574 5.796 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.228 6.706 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.164 4.487 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.109 5.393 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.037 3.615 0.510 1.00 0.00 H new ATOM 607 N LEU A 42 3.864 5.529 -1.814 1.00 0.00 N ATOM 608 CA LEU A 42 2.812 5.517 -2.825 1.00 0.00 C ATOM 609 C LEU A 42 3.348 5.921 -4.198 1.00 0.00 C ATOM 610 O LEU A 42 2.663 5.760 -5.209 1.00 0.00 O ATOM 611 CB LEU A 42 1.673 6.450 -2.409 1.00 0.00 C ATOM 612 CG LEU A 42 1.164 6.251 -0.978 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.080 7.093 -0.733 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.876 4.779 -0.711 1.00 0.00 C ATOM 0 H LEU A 42 3.929 6.398 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 42 2.434 4.498 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.009 7.481 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.840 6.311 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 42 1.942 6.578 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.428 6.939 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.159 8.146 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.863 6.797 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.516 4.658 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.117 4.425 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.790 4.200 -0.844 1.00 0.00 H new ATOM 626 N SER A 43 4.572 6.443 -4.234 1.00 0.00 N ATOM 627 CA SER A 43 5.185 6.858 -5.489 1.00 0.00 C ATOM 628 C SER A 43 5.755 5.657 -6.235 1.00 0.00 C ATOM 629 O SER A 43 5.888 5.681 -7.459 1.00 0.00 O ATOM 630 CB SER A 43 6.291 7.884 -5.230 1.00 0.00 C ATOM 631 OG SER A 43 6.832 7.732 -3.929 1.00 0.00 O ATOM 0 H SER A 43 5.156 6.587 -3.410 1.00 0.00 H new ATOM 0 HA SER A 43 4.413 7.317 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.081 7.767 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.891 8.891 -5.346 1.00 0.00 H new ATOM 0 HG SER A 43 7.789 7.533 -3.994 1.00 0.00 H new ATOM 637 N THR A 44 6.087 4.608 -5.490 1.00 0.00 N ATOM 638 CA THR A 44 6.640 3.400 -6.085 1.00 0.00 C ATOM 639 C THR A 44 5.546 2.368 -6.349 1.00 0.00 C ATOM 640 O THR A 44 5.826 1.176 -6.485 1.00 0.00 O ATOM 641 CB THR A 44 7.715 2.802 -5.175 1.00 0.00 C ATOM 642 OG1 THR A 44 8.355 1.708 -5.806 1.00 0.00 O ATOM 643 CG2 THR A 44 7.171 2.314 -3.848 1.00 0.00 C ATOM 0 H THR A 44 5.983 4.571 -4.476 1.00 0.00 H new ATOM 0 HA THR A 44 7.092 3.672 -7.039 1.00 0.00 H new ATOM 0 HB THR A 44 8.418 3.613 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.679 1.093 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.984 1.902 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.714 3.147 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.422 1.541 -4.024 1.00 0.00 H new ATOM 651 N ILE A 45 4.301 2.828 -6.421 1.00 0.00 N ATOM 652 CA ILE A 45 3.171 1.942 -6.669 1.00 0.00 C ATOM 653 C ILE A 45 2.762 1.973 -8.136 1.00 0.00 C ATOM 654 O ILE A 45 2.053 2.878 -8.576 1.00 0.00 O ATOM 655 CB ILE A 45 1.957 2.322 -5.801 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.376 2.462 -4.336 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.856 1.283 -5.945 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.966 1.197 -3.752 1.00 0.00 C ATOM 0 H ILE A 45 4.050 3.810 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 45 3.495 0.935 -6.405 1.00 0.00 H new ATOM 0 HB ILE A 45 1.570 3.282 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.106 3.267 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.508 2.755 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.005 1.566 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.543 1.227 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.230 0.310 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.240 1.370 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.230 0.394 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.853 0.914 -4.319 1.00 0.00 H new ATOM 670 N ASP A 46 3.214 0.977 -8.890 1.00 0.00 N ATOM 671 CA ASP A 46 2.897 0.885 -10.309 1.00 0.00 C ATOM 672 C ASP A 46 1.402 0.675 -10.521 1.00 0.00 C ATOM 673 O ASP A 46 0.856 1.041 -11.562 1.00 0.00 O ATOM 674 CB ASP A 46 3.677 -0.261 -10.954 1.00 0.00 C ATOM 675 CG ASP A 46 4.108 0.058 -12.372 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.134 1.254 -12.730 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.421 -0.889 -13.125 1.00 0.00 O ATOM 0 H ASP A 46 3.802 0.221 -8.540 1.00 0.00 H new ATOM 0 HA ASP A 46 3.185 1.825 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.558 -0.482 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.060 -1.159 -10.958 1.00 0.00 H new ATOM 682 N LYS A 47 0.745 0.077 -9.531 1.00 0.00 N ATOM 683 CA LYS A 47 -0.685 -0.185 -9.621 1.00 0.00 C ATOM 684 C LYS A 47 -1.229 -0.701 -8.289 1.00 0.00 C ATOM 685 O LYS A 47 -0.473 -1.158 -7.433 1.00 0.00 O ATOM 686 CB LYS A 47 -0.958 -1.187 -10.753 1.00 0.00 C ATOM 687 CG LYS A 47 -1.727 -2.433 -10.331 1.00 0.00 C ATOM 688 CD LYS A 47 -1.981 -3.356 -11.511 1.00 0.00 C ATOM 689 CE LYS A 47 -0.713 -4.074 -11.941 1.00 0.00 C ATOM 690 NZ LYS A 47 -0.940 -4.939 -13.131 1.00 0.00 N ATOM 0 H LYS A 47 1.179 -0.233 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.201 0.748 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.517 -0.681 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.006 -1.494 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.165 -2.967 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.678 -2.141 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.742 -4.089 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.375 -2.779 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.060 -3.340 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.343 -4.682 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.051 -5.411 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.659 -5.656 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.269 -4.356 -13.927 1.00 0.00 H new ATOM 704 N LEU A 48 -2.546 -0.629 -8.129 1.00 0.00 N ATOM 705 CA LEU A 48 -3.195 -1.094 -6.909 1.00 0.00 C ATOM 706 C LEU A 48 -4.253 -2.146 -7.227 1.00 0.00 C ATOM 707 O LEU A 48 -5.050 -1.980 -8.150 1.00 0.00 O ATOM 708 CB LEU A 48 -3.833 0.080 -6.165 1.00 0.00 C ATOM 709 CG LEU A 48 -4.977 0.776 -6.905 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.835 1.572 -5.933 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.430 1.677 -8.002 1.00 0.00 C ATOM 0 H LEU A 48 -3.185 -0.253 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.436 -1.547 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.207 -0.278 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.059 0.817 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.604 0.014 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.644 2.060 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.255 0.900 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.222 2.327 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.257 2.164 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.781 2.434 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.860 1.079 -8.713 1.00 0.00 H new ATOM 723 N GLN A 49 -4.251 -3.231 -6.461 1.00 0.00 N ATOM 724 CA GLN A 49 -5.208 -4.313 -6.663 1.00 0.00 C ATOM 725 C GLN A 49 -6.091 -4.498 -5.435 1.00 0.00 C ATOM 726 O GLN A 49 -5.691 -4.180 -4.315 1.00 0.00 O ATOM 727 CB GLN A 49 -4.475 -5.618 -6.978 1.00 0.00 C ATOM 728 CG GLN A 49 -3.765 -5.609 -8.322 1.00 0.00 C ATOM 729 CD GLN A 49 -4.731 -5.620 -9.492 1.00 0.00 C ATOM 730 OE1 GLN A 49 -5.936 -5.444 -9.317 1.00 0.00 O ATOM 731 NE2 GLN A 49 -4.204 -5.828 -10.692 1.00 0.00 N ATOM 0 H GLN A 49 -3.597 -3.385 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.844 -4.047 -7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.745 -5.814 -6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.190 -6.440 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.131 -4.725 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.110 -6.477 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.199 -5.969 -10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.804 -5.847 -11.516 1.00 0.00 H new ATOM 740 N ALA A 50 -7.297 -5.015 -5.651 1.00 0.00 N ATOM 741 CA ALA A 50 -8.238 -5.243 -4.562 1.00 0.00 C ATOM 742 C ALA A 50 -9.007 -6.544 -4.765 1.00 0.00 C ATOM 743 O ALA A 50 -9.115 -7.044 -5.886 1.00 0.00 O ATOM 744 CB ALA A 50 -9.202 -4.073 -4.444 1.00 0.00 C ATOM 0 H ALA A 50 -7.645 -5.284 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.670 -5.327 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.899 -4.257 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.642 -3.159 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.757 -3.963 -5.376 1.00 0.00 H new ATOM 750 N THR A 51 -9.538 -7.088 -3.676 1.00 0.00 N ATOM 751 CA THR A 51 -10.296 -8.332 -3.735 1.00 0.00 C ATOM 752 C THR A 51 -11.638 -8.120 -4.433 1.00 0.00 C ATOM 753 O THR A 51 -12.230 -7.044 -4.342 1.00 0.00 O ATOM 754 CB THR A 51 -10.522 -8.883 -2.326 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.662 -7.829 -1.391 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.399 -9.776 -1.846 1.00 0.00 C ATOM 0 H THR A 51 -9.458 -6.687 -2.742 1.00 0.00 H new ATOM 0 HA THR A 51 -9.717 -9.054 -4.311 1.00 0.00 H new ATOM 0 HB THR A 51 -11.434 -9.476 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.610 -7.600 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.622 -10.133 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.298 -10.627 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.466 -9.212 -1.832 1.00 0.00 H new ATOM 764 N PRO A 52 -12.135 -9.146 -5.144 1.00 0.00 N ATOM 765 CA PRO A 52 -13.414 -9.066 -5.860 1.00 0.00 C ATOM 766 C PRO A 52 -14.609 -9.012 -4.913 1.00 0.00 C ATOM 767 O PRO A 52 -14.540 -9.497 -3.784 1.00 0.00 O ATOM 768 CB PRO A 52 -13.442 -10.353 -6.686 1.00 0.00 C ATOM 769 CG PRO A 52 -12.570 -11.302 -5.938 1.00 0.00 C ATOM 770 CD PRO A 52 -11.493 -10.465 -5.306 1.00 0.00 C ATOM 0 HA PRO A 52 -13.488 -8.159 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.457 -10.740 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.068 -10.184 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.140 -11.841 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.142 -12.049 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.174 -10.877 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.607 -10.406 -5.938 1.00 0.00 H new ATOM 778 N ALA A 53 -15.702 -8.421 -5.383 1.00 0.00 N ATOM 779 CA ALA A 53 -16.915 -8.305 -4.581 1.00 0.00 C ATOM 780 C ALA A 53 -17.511 -9.675 -4.269 1.00 0.00 C ATOM 781 O ALA A 53 -18.331 -9.810 -3.360 1.00 0.00 O ATOM 782 CB ALA A 53 -17.936 -7.434 -5.297 1.00 0.00 C ATOM 0 H ALA A 53 -15.773 -8.015 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.648 -7.836 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.837 -7.355 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.518 -6.440 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.186 -7.882 -6.259 1.00 0.00 H new ATOM 788 N SER A 54 -17.100 -10.689 -5.025 1.00 0.00 N ATOM 789 CA SER A 54 -17.599 -12.044 -4.822 1.00 0.00 C ATOM 790 C SER A 54 -16.734 -12.814 -3.825 1.00 0.00 C ATOM 791 O SER A 54 -17.013 -13.971 -3.515 1.00 0.00 O ATOM 792 CB SER A 54 -17.644 -12.794 -6.154 1.00 0.00 C ATOM 793 OG SER A 54 -18.453 -13.954 -6.061 1.00 0.00 O ATOM 0 H SER A 54 -16.423 -10.598 -5.783 1.00 0.00 H new ATOM 0 HA SER A 54 -18.606 -11.969 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.034 -12.137 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.633 -13.075 -6.451 1.00 0.00 H new ATOM 0 HG SER A 54 -18.315 -14.380 -5.189 1.00 0.00 H new ATOM 799 N SER A 55 -15.685 -12.167 -3.320 1.00 0.00 N ATOM 800 CA SER A 55 -14.791 -12.794 -2.358 1.00 0.00 C ATOM 801 C SER A 55 -15.008 -12.216 -0.968 1.00 0.00 C ATOM 802 O SER A 55 -14.729 -11.042 -0.721 1.00 0.00 O ATOM 803 CB SER A 55 -13.334 -12.601 -2.782 1.00 0.00 C ATOM 804 OG SER A 55 -12.962 -13.545 -3.771 1.00 0.00 O ATOM 0 H SER A 55 -15.436 -11.208 -3.564 1.00 0.00 H new ATOM 0 HA SER A 55 -15.014 -13.861 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.195 -11.591 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.683 -12.703 -1.914 1.00 0.00 H new ATOM 0 HG SER A 55 -12.027 -13.400 -4.027 1.00 0.00 H new ATOM 810 N GLU A 56 -15.497 -13.050 -0.058 1.00 0.00 N ATOM 811 CA GLU A 56 -15.743 -12.623 1.313 1.00 0.00 C ATOM 812 C GLU A 56 -14.459 -12.107 1.955 1.00 0.00 C ATOM 813 O GLU A 56 -14.497 -11.392 2.956 1.00 0.00 O ATOM 814 CB GLU A 56 -16.310 -13.779 2.136 1.00 0.00 C ATOM 815 CG GLU A 56 -17.666 -14.265 1.650 1.00 0.00 C ATOM 816 CD GLU A 56 -18.246 -15.354 2.531 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.505 -15.890 3.382 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.443 -15.673 2.370 1.00 0.00 O ATOM 0 H GLU A 56 -15.731 -14.025 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.472 -11.813 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.606 -14.610 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.397 -13.465 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.358 -13.424 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.569 -14.640 0.631 1.00 0.00 H new ATOM 825 N LYS A 57 -13.321 -12.474 1.370 1.00 0.00 N ATOM 826 CA LYS A 57 -12.027 -12.047 1.885 1.00 0.00 C ATOM 827 C LYS A 57 -11.645 -10.679 1.328 1.00 0.00 C ATOM 828 O LYS A 57 -11.523 -10.503 0.116 1.00 0.00 O ATOM 829 CB LYS A 57 -10.949 -13.073 1.529 1.00 0.00 C ATOM 830 CG LYS A 57 -11.160 -14.430 2.181 1.00 0.00 C ATOM 831 CD LYS A 57 -10.006 -15.375 1.885 1.00 0.00 C ATOM 832 CE LYS A 57 -10.268 -16.763 2.445 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.846 -17.676 1.420 1.00 0.00 N ATOM 0 H LYS A 57 -13.271 -13.065 0.540 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.103 -11.971 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.923 -13.200 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.976 -12.683 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.262 -14.305 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.091 -14.867 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.853 -15.439 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.087 -14.975 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.336 -17.184 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.950 -16.690 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.010 -18.612 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.748 -17.288 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.184 -17.767 0.623 1.00 0.00 H new ATOM 847 N MET A 58 -11.461 -9.712 2.222 1.00 0.00 N ATOM 848 CA MET A 58 -11.096 -8.360 1.820 1.00 0.00 C ATOM 849 C MET A 58 -9.590 -8.148 1.927 1.00 0.00 C ATOM 850 O MET A 58 -9.032 -8.129 3.025 1.00 0.00 O ATOM 851 CB MET A 58 -11.829 -7.334 2.686 1.00 0.00 C ATOM 852 CG MET A 58 -13.342 -7.408 2.565 1.00 0.00 C ATOM 853 SD MET A 58 -14.183 -6.247 3.659 1.00 0.00 S ATOM 854 CE MET A 58 -15.767 -7.056 3.859 1.00 0.00 C ATOM 0 H MET A 58 -11.559 -9.841 3.229 1.00 0.00 H new ATOM 0 HA MET A 58 -11.390 -8.225 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.548 -7.484 3.729 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.499 -6.333 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.631 -7.204 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.672 -8.421 2.794 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.389 -6.475 4.540 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.262 -7.131 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.616 -8.055 4.268 1.00 0.00 H new ATOM 864 N MET A 59 -8.936 -7.989 0.782 1.00 0.00 N ATOM 865 CA MET A 59 -7.494 -7.781 0.748 1.00 0.00 C ATOM 866 C MET A 59 -7.090 -6.958 -0.471 1.00 0.00 C ATOM 867 O MET A 59 -7.513 -7.243 -1.591 1.00 0.00 O ATOM 868 CB MET A 59 -6.766 -9.126 0.730 1.00 0.00 C ATOM 869 CG MET A 59 -7.128 -10.030 1.896 1.00 0.00 C ATOM 870 SD MET A 59 -6.188 -11.569 1.901 1.00 0.00 S ATOM 871 CE MET A 59 -6.945 -12.423 3.282 1.00 0.00 C ATOM 0 H MET A 59 -9.382 -8.000 -0.135 1.00 0.00 H new ATOM 0 HA MET A 59 -7.211 -7.231 1.645 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.995 -9.641 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.691 -8.948 0.740 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.952 -9.498 2.831 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.193 -10.259 1.856 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.173 -12.725 3.990 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.652 -11.758 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.470 -13.307 2.920 1.00 0.00 H new ATOM 881 N LEU A 60 -6.267 -5.938 -0.246 1.00 0.00 N ATOM 882 CA LEU A 60 -5.805 -5.079 -1.329 1.00 0.00 C ATOM 883 C LEU A 60 -4.297 -5.208 -1.517 1.00 0.00 C ATOM 884 O LEU A 60 -3.521 -4.920 -0.606 1.00 0.00 O ATOM 885 CB LEU A 60 -6.173 -3.621 -1.045 1.00 0.00 C ATOM 886 CG LEU A 60 -7.644 -3.268 -1.270 1.00 0.00 C ATOM 887 CD1 LEU A 60 -8.540 -4.137 -0.402 1.00 0.00 C ATOM 888 CD2 LEU A 60 -7.887 -1.795 -0.982 1.00 0.00 C ATOM 0 H LEU A 60 -5.907 -5.687 0.675 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.297 -5.397 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.914 -3.392 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.560 -2.978 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.889 -3.460 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.583 -3.872 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.385 -5.186 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.295 -3.977 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.939 -1.561 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.625 -1.579 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.272 -1.188 -1.646 1.00 0.00 H new ATOM 900 N ARG A 61 -3.890 -5.648 -2.703 1.00 0.00 N ATOM 901 CA ARG A 61 -2.473 -5.821 -3.010 1.00 0.00 C ATOM 902 C ARG A 61 -1.962 -4.681 -3.882 1.00 0.00 C ATOM 903 O ARG A 61 -2.523 -4.393 -4.939 1.00 0.00 O ATOM 904 CB ARG A 61 -2.243 -7.160 -3.713 1.00 0.00 C ATOM 905 CG ARG A 61 -0.773 -7.487 -3.929 1.00 0.00 C ATOM 906 CD ARG A 61 -0.600 -8.775 -4.719 1.00 0.00 C ATOM 907 NE ARG A 61 -1.176 -9.924 -4.026 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.427 -11.094 -4.610 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.153 -11.272 -5.897 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.953 -12.088 -3.908 1.00 0.00 N ATOM 0 H ARG A 61 -4.520 -5.891 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.919 -5.811 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.701 -7.954 -3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.750 -7.147 -4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.290 -6.666 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.274 -7.581 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.072 -8.667 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.461 -8.952 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.399 -9.824 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.749 -10.511 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.347 -12.170 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.166 -11.957 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.145 -12.984 -4.357 1.00 0.00 H new ATOM 924 N LEU A 62 -0.892 -4.035 -3.432 1.00 0.00 N ATOM 925 CA LEU A 62 -0.301 -2.925 -4.168 1.00 0.00 C ATOM 926 C LEU A 62 1.050 -3.319 -4.758 1.00 0.00 C ATOM 927 O LEU A 62 1.908 -3.862 -4.063 1.00 0.00 O ATOM 928 CB LEU A 62 -0.143 -1.707 -3.256 1.00 0.00 C ATOM 929 CG LEU A 62 -1.133 -0.571 -3.517 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.497 -0.908 -2.934 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.610 0.734 -2.936 1.00 0.00 C ATOM 0 H LEU A 62 -0.416 -4.262 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.971 -2.668 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.250 -2.031 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.870 -1.319 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.242 -0.448 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.189 -0.088 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.875 -1.820 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.406 -1.058 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.327 1.532 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.473 0.624 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.344 0.982 -3.400 1.00 0.00 H new ATOM 943 N ILE A 63 1.231 -3.036 -6.043 1.00 0.00 N ATOM 944 CA ILE A 63 2.478 -3.355 -6.728 1.00 0.00 C ATOM 945 C ILE A 63 3.587 -2.391 -6.319 1.00 0.00 C ATOM 946 O ILE A 63 3.336 -1.213 -6.072 1.00 0.00 O ATOM 947 CB ILE A 63 2.306 -3.307 -8.261 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.111 -4.164 -8.688 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.578 -3.778 -8.955 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.199 -5.600 -8.225 1.00 0.00 C ATOM 0 H ILE A 63 0.530 -2.586 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 63 2.753 -4.368 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 63 2.116 -2.276 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.197 -3.720 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.032 -4.146 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.439 -3.738 -10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.408 -3.131 -8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.798 -4.803 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.319 -6.146 -8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.095 -6.062 -8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.247 -5.629 -7.136 1.00 0.00 H new ATOM 962 N GLY A 64 4.813 -2.900 -6.245 1.00 0.00 N ATOM 963 CA GLY A 64 5.940 -2.069 -5.859 1.00 0.00 C ATOM 964 C GLY A 64 6.824 -1.698 -7.036 1.00 0.00 C ATOM 965 O GLY A 64 8.034 -1.532 -6.881 1.00 0.00 O ATOM 0 H GLY A 64 5.046 -3.873 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.570 -1.159 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.536 -2.596 -5.114 1.00 0.00 H new ATOM 969 N LYS A 65 6.219 -1.563 -8.213 1.00 0.00 N ATOM 970 CA LYS A 65 6.957 -1.204 -9.419 1.00 0.00 C ATOM 971 C LYS A 65 8.190 -2.087 -9.602 1.00 0.00 C ATOM 972 O LYS A 65 8.414 -3.026 -8.838 1.00 0.00 O ATOM 973 CB LYS A 65 7.373 0.267 -9.362 1.00 0.00 C ATOM 974 CG LYS A 65 6.407 1.202 -10.070 1.00 0.00 C ATOM 975 CD LYS A 65 6.895 2.639 -10.032 1.00 0.00 C ATOM 976 CE LYS A 65 5.890 3.586 -10.668 1.00 0.00 C ATOM 977 NZ LYS A 65 6.245 3.910 -12.078 1.00 0.00 N ATOM 0 H LYS A 65 5.218 -1.697 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 65 6.299 -1.362 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.460 0.571 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.362 0.374 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.286 0.885 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.426 1.137 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.073 2.937 -8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.849 2.714 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.898 3.136 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.840 4.506 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.535 4.558 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.181 4.363 -12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.268 3.035 -12.640 1.00 0.00 H new ATOM 991 N VAL A 66 8.985 -1.776 -10.621 1.00 0.00 N ATOM 992 CA VAL A 66 10.195 -2.536 -10.909 1.00 0.00 C ATOM 993 C VAL A 66 11.437 -1.659 -10.779 1.00 0.00 C ATOM 994 O VAL A 66 11.421 -0.486 -11.150 1.00 0.00 O ATOM 995 CB VAL A 66 10.156 -3.140 -12.325 1.00 0.00 C ATOM 996 CG1 VAL A 66 11.314 -4.105 -12.527 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.823 -3.831 -12.576 1.00 0.00 C ATOM 0 H VAL A 66 8.812 -1.001 -11.262 1.00 0.00 H new ATOM 0 HA VAL A 66 10.243 -3.344 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 66 10.259 -2.331 -13.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.269 -4.521 -13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.257 -3.574 -12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.247 -4.912 -11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.815 -4.251 -13.582 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.684 -4.630 -11.848 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.014 -3.107 -12.479 1.00 0.00 H new ATOM 1007 N ASP A 67 12.510 -2.236 -10.249 1.00 0.00 N ATOM 1008 CA ASP A 67 13.759 -1.503 -10.071 1.00 0.00 C ATOM 1009 C ASP A 67 14.714 -1.762 -11.231 1.00 0.00 C ATOM 1010 O ASP A 67 15.923 -1.896 -11.038 1.00 0.00 O ATOM 1011 CB ASP A 67 14.423 -1.899 -8.750 1.00 0.00 C ATOM 1012 CG ASP A 67 15.635 -1.045 -8.435 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.454 0.069 -7.898 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.766 -1.489 -8.724 1.00 0.00 O ATOM 0 H ASP A 67 12.541 -3.206 -9.936 1.00 0.00 H new ATOM 0 HA ASP A 67 13.526 -0.439 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.698 -1.809 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.722 -2.946 -8.796 1.00 0.00 H new ATOM 1019 N GLU A 68 14.164 -1.831 -12.439 1.00 0.00 N ATOM 1020 CA GLU A 68 14.966 -2.074 -13.633 1.00 0.00 C ATOM 1021 C GLU A 68 14.992 -0.841 -14.528 1.00 0.00 C ATOM 1022 O GLU A 68 14.974 -0.950 -15.754 1.00 0.00 O ATOM 1023 CB GLU A 68 14.415 -3.275 -14.404 1.00 0.00 C ATOM 1024 CG GLU A 68 13.060 -3.024 -15.046 1.00 0.00 C ATOM 1025 CD GLU A 68 12.462 -4.274 -15.658 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.923 -5.383 -15.313 1.00 0.00 O ATOM 1027 OE2 GLU A 68 11.534 -4.146 -16.483 1.00 0.00 O ATOM 0 H GLU A 68 13.166 -1.722 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 68 15.987 -2.292 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.128 -3.555 -15.180 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.333 -4.124 -13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.375 -2.628 -14.296 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.164 -2.261 -15.817 1.00 0.00 H new ATOM 1034 N SER A 69 15.036 0.331 -13.906 1.00 0.00 N ATOM 1035 CA SER A 69 15.065 1.589 -14.643 1.00 0.00 C ATOM 1036 C SER A 69 16.385 1.756 -15.390 1.00 0.00 C ATOM 1037 O SER A 69 16.460 2.480 -16.384 1.00 0.00 O ATOM 1038 CB SER A 69 14.851 2.768 -13.693 1.00 0.00 C ATOM 1039 OG SER A 69 15.958 2.932 -12.824 1.00 0.00 O ATOM 0 H SER A 69 15.052 0.437 -12.892 1.00 0.00 H new ATOM 0 HA SER A 69 14.256 1.569 -15.374 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.699 3.680 -14.270 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.946 2.607 -13.107 1.00 0.00 H new ATOM 0 HG SER A 69 15.796 3.693 -12.228 1.00 0.00 H new ATOM 1045 N LYS A 70 17.421 1.082 -14.906 1.00 0.00 N ATOM 1046 CA LYS A 70 18.739 1.154 -15.528 1.00 0.00 C ATOM 1047 C LYS A 70 18.844 0.200 -16.716 1.00 0.00 C ATOM 1048 O LYS A 70 19.784 0.284 -17.507 1.00 0.00 O ATOM 1049 CB LYS A 70 19.826 0.829 -14.502 1.00 0.00 C ATOM 1050 CG LYS A 70 19.913 1.839 -13.369 1.00 0.00 C ATOM 1051 CD LYS A 70 21.095 1.552 -12.457 1.00 0.00 C ATOM 1052 CE LYS A 70 21.108 2.480 -11.253 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.908 3.903 -11.647 1.00 0.00 N ATOM 0 H LYS A 70 17.375 0.479 -14.085 1.00 0.00 H new ATOM 0 HA LYS A 70 18.881 2.171 -15.894 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.635 -0.159 -14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.790 0.780 -15.009 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.006 2.843 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.991 1.817 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.052 0.517 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.024 1.667 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.324 2.182 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.057 2.379 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.386 4.523 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.308 4.060 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.891 4.120 -11.660 1.00 0.00 H new ATOM 1067 N LYS A 71 17.878 -0.709 -16.838 1.00 0.00 N ATOM 1068 CA LYS A 71 17.871 -1.674 -17.933 1.00 0.00 C ATOM 1069 C LYS A 71 19.071 -2.612 -17.837 1.00 0.00 C ATOM 1070 O LYS A 71 19.852 -2.736 -18.781 1.00 0.00 O ATOM 1071 CB LYS A 71 17.874 -0.952 -19.282 1.00 0.00 C ATOM 1072 CG LYS A 71 16.746 0.055 -19.435 1.00 0.00 C ATOM 1073 CD LYS A 71 15.388 -0.623 -19.416 1.00 0.00 C ATOM 1074 CE LYS A 71 14.280 0.337 -19.821 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.087 1.419 -18.816 1.00 0.00 N ATOM 0 H LYS A 71 17.093 -0.796 -16.193 1.00 0.00 H new ATOM 0 HA LYS A 71 16.961 -2.269 -17.854 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.827 -0.439 -19.408 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.801 -1.691 -20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.799 0.788 -18.630 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.868 0.600 -20.371 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.397 -1.477 -20.094 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.188 -1.011 -18.417 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.518 0.779 -20.789 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.348 -0.215 -19.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.323 2.052 -19.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.835 1.000 -17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.968 1.962 -18.717 1.00 0.00 H new ATOM 1089 N ARG A 72 19.209 -3.270 -16.691 1.00 0.00 N ATOM 1090 CA ARG A 72 20.314 -4.196 -16.473 1.00 0.00 C ATOM 1091 C ARG A 72 20.288 -5.324 -17.500 1.00 0.00 C ATOM 1092 O ARG A 72 19.239 -5.911 -17.768 1.00 0.00 O ATOM 1093 CB ARG A 72 20.248 -4.777 -15.058 1.00 0.00 C ATOM 1094 CG ARG A 72 20.446 -3.740 -13.966 1.00 0.00 C ATOM 1095 CD ARG A 72 20.476 -4.380 -12.587 1.00 0.00 C ATOM 1096 NE ARG A 72 20.453 -3.382 -11.521 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.387 -2.645 -11.218 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.256 -2.792 -11.895 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.452 -1.759 -10.233 1.00 0.00 N ATOM 0 H ARG A 72 18.571 -3.180 -15.900 1.00 0.00 H new ATOM 0 HA ARG A 72 21.247 -3.644 -16.589 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.281 -5.261 -14.917 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.009 -5.550 -14.956 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.378 -3.202 -14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.641 -3.006 -14.010 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.621 -5.047 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.372 -4.993 -12.491 1.00 0.00 H new ATOM 0 HE ARG A 72 21.304 -3.242 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.200 -3.473 -12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.442 -2.224 -11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.319 -1.643 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.635 -1.194 -10.001 1.00 0.00 H new ATOM 1113 N LYS A 73 21.449 -5.621 -18.073 1.00 0.00 N ATOM 1114 CA LYS A 73 21.562 -6.676 -19.073 1.00 0.00 C ATOM 1115 C LYS A 73 21.763 -8.035 -18.411 1.00 0.00 C ATOM 1116 O LYS A 73 22.097 -8.118 -17.229 1.00 0.00 O ATOM 1117 CB LYS A 73 22.723 -6.383 -20.025 1.00 0.00 C ATOM 1118 CG LYS A 73 22.555 -5.092 -20.810 1.00 0.00 C ATOM 1119 CD LYS A 73 23.675 -4.905 -21.821 1.00 0.00 C ATOM 1120 CE LYS A 73 23.609 -3.536 -22.479 1.00 0.00 C ATOM 1121 NZ LYS A 73 22.987 -3.597 -23.829 1.00 0.00 N ATOM 0 H LYS A 73 22.326 -5.145 -17.862 1.00 0.00 H new ATOM 0 HA LYS A 73 20.633 -6.703 -19.642 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.648 -6.332 -19.451 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.827 -7.213 -20.724 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.595 -5.101 -21.326 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.539 -4.246 -20.122 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.638 -5.025 -21.325 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.611 -5.680 -22.584 1.00 0.00 H new ATOM 0 HE2 LYS A 73 23.037 -2.857 -21.847 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.615 -3.124 -22.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.961 -2.643 -24.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.546 -4.225 -24.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 22.018 -3.966 -23.748 1.00 0.00 H new ATOM 1135 N ASP A 74 21.562 -9.098 -19.183 1.00 0.00 N ATOM 1136 CA ASP A 74 21.726 -10.455 -18.674 1.00 0.00 C ATOM 1137 C ASP A 74 23.199 -10.846 -18.620 1.00 0.00 C ATOM 1138 O ASP A 74 23.579 -11.777 -17.910 1.00 0.00 O ATOM 1139 CB ASP A 74 20.956 -11.446 -19.548 1.00 0.00 C ATOM 1140 CG ASP A 74 19.456 -11.231 -19.486 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.993 -10.544 -18.551 1.00 0.00 O ATOM 1142 OD2 ASP A 74 18.745 -11.750 -20.371 1.00 0.00 O ATOM 0 H ASP A 74 21.285 -9.046 -20.163 1.00 0.00 H new ATOM 0 HA ASP A 74 21.325 -10.485 -17.661 1.00 0.00 H new ATOM 0 HB2 ASP A 74 21.291 -11.351 -20.581 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.188 -12.462 -19.230 1.00 0.00 H new ATOM 1147 N ASN A 75 24.023 -10.129 -19.377 1.00 0.00 N ATOM 1148 CA ASN A 75 25.456 -10.401 -19.418 1.00 0.00 C ATOM 1149 C ASN A 75 26.177 -9.779 -18.222 1.00 0.00 C ATOM 1150 O ASN A 75 27.395 -9.902 -18.093 1.00 0.00 O ATOM 1151 CB ASN A 75 26.055 -9.866 -20.718 1.00 0.00 C ATOM 1152 CG ASN A 75 25.421 -10.488 -21.946 1.00 0.00 C ATOM 1153 OD1 ASN A 75 24.994 -9.785 -22.862 1.00 0.00 O ATOM 1154 ND2 ASN A 75 25.358 -11.814 -21.972 1.00 0.00 N ATOM 0 H ASN A 75 23.724 -9.355 -19.970 1.00 0.00 H new ATOM 0 HA ASN A 75 25.592 -11.482 -19.372 1.00 0.00 H new ATOM 0 HB2 ASN A 75 25.927 -8.784 -20.755 1.00 0.00 H new ATOM 0 HB3 ASN A 75 27.127 -10.061 -20.728 1.00 0.00 H new ATOM 0 HD21 ASN A 75 24.943 -12.289 -22.774 1.00 0.00 H new ATOM 0 HD22 ASN A 75 25.724 -12.357 -21.190 1.00 0.00 H new ATOM 1161 N GLU A 76 25.425 -9.111 -17.351 1.00 0.00 N ATOM 1162 CA GLU A 76 26.007 -8.472 -16.174 1.00 0.00 C ATOM 1163 C GLU A 76 25.960 -9.401 -14.963 1.00 0.00 C ATOM 1164 O GLU A 76 25.702 -8.964 -13.841 1.00 0.00 O ATOM 1165 CB GLU A 76 25.274 -7.166 -15.862 1.00 0.00 C ATOM 1166 CG GLU A 76 26.028 -6.258 -14.902 1.00 0.00 C ATOM 1167 CD GLU A 76 25.246 -5.009 -14.543 1.00 0.00 C ATOM 1168 OE1 GLU A 76 24.096 -4.870 -15.011 1.00 0.00 O ATOM 1169 OE2 GLU A 76 25.786 -4.166 -13.795 1.00 0.00 O ATOM 0 H GLU A 76 24.415 -8.998 -17.437 1.00 0.00 H new ATOM 0 HA GLU A 76 27.052 -8.251 -16.394 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.096 -6.628 -16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.298 -7.400 -15.437 1.00 0.00 H new ATOM 0 HG2 GLU A 76 26.260 -6.811 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 76 26.979 -5.970 -15.351 1.00 0.00 H new ATOM 1176 N GLY A 77 26.219 -10.684 -15.195 1.00 0.00 N ATOM 1177 CA GLY A 77 26.209 -11.653 -14.113 1.00 0.00 C ATOM 1178 C GLY A 77 24.823 -11.891 -13.544 1.00 0.00 C ATOM 1179 O GLY A 77 24.683 -12.340 -12.407 1.00 0.00 O ATOM 0 H GLY A 77 26.436 -11.071 -16.114 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.614 -12.598 -14.475 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.868 -11.307 -13.317 1.00 0.00 H new ATOM 1183 N ASN A 78 23.793 -11.597 -14.333 1.00 0.00 N ATOM 1184 CA ASN A 78 22.418 -11.789 -13.891 1.00 0.00 C ATOM 1185 C ASN A 78 21.584 -12.463 -14.976 1.00 0.00 C ATOM 1186 O ASN A 78 21.644 -12.084 -16.145 1.00 0.00 O ATOM 1187 CB ASN A 78 21.791 -10.447 -13.501 1.00 0.00 C ATOM 1188 CG ASN A 78 21.625 -9.513 -14.684 1.00 0.00 C ATOM 1189 OD1 ASN A 78 20.854 -9.788 -15.603 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.349 -8.401 -14.666 1.00 0.00 N ATOM 0 H ASN A 78 23.886 -11.226 -15.279 1.00 0.00 H new ATOM 0 HA ASN A 78 22.432 -12.440 -13.017 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.817 -10.625 -13.044 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.414 -9.965 -12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.279 -7.734 -15.435 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.976 -8.213 -13.884 1.00 0.00 H new ATOM 1197 N GLU A 79 20.805 -13.464 -14.579 1.00 0.00 N ATOM 1198 CA GLU A 79 19.958 -14.194 -15.517 1.00 0.00 C ATOM 1199 C GLU A 79 18.625 -13.476 -15.715 1.00 0.00 C ATOM 1200 O GLU A 79 18.210 -13.218 -16.845 1.00 0.00 O ATOM 1201 CB GLU A 79 19.714 -15.618 -15.016 1.00 0.00 C ATOM 1202 CG GLU A 79 18.917 -16.476 -15.985 1.00 0.00 C ATOM 1203 CD GLU A 79 19.687 -16.791 -17.253 1.00 0.00 C ATOM 1204 OE1 GLU A 79 20.936 -16.771 -17.211 1.00 0.00 O ATOM 1205 OE2 GLU A 79 19.040 -17.058 -18.289 1.00 0.00 O ATOM 0 H GLU A 79 20.742 -13.789 -13.614 1.00 0.00 H new ATOM 0 HA GLU A 79 20.474 -14.239 -16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.675 -16.097 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.185 -15.574 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.636 -17.408 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.992 -15.961 -16.244 1.00 0.00 H new ATOM 1212 N VAL A 80 17.960 -13.161 -14.610 1.00 0.00 N ATOM 1213 CA VAL A 80 16.673 -12.474 -14.661 1.00 0.00 C ATOM 1214 C VAL A 80 16.734 -11.140 -13.924 1.00 0.00 C ATOM 1215 O VAL A 80 17.120 -11.081 -12.756 1.00 0.00 O ATOM 1216 CB VAL A 80 15.554 -13.336 -14.048 1.00 0.00 C ATOM 1217 CG1 VAL A 80 14.196 -12.685 -14.266 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.580 -14.740 -14.632 1.00 0.00 C ATOM 0 H VAL A 80 18.290 -13.370 -13.668 1.00 0.00 H new ATOM 0 HA VAL A 80 16.449 -12.295 -15.713 1.00 0.00 H new ATOM 0 HB VAL A 80 15.726 -13.411 -12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.418 -13.309 -13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.183 -11.703 -13.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.012 -12.576 -15.335 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.782 -15.334 -14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.435 -14.688 -15.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.542 -15.206 -14.417 1.00 0.00 H new ATOM 1228 N VAL A 81 16.351 -10.070 -14.614 1.00 0.00 N ATOM 1229 CA VAL A 81 16.363 -8.736 -14.024 1.00 0.00 C ATOM 1230 C VAL A 81 15.072 -8.451 -13.258 1.00 0.00 C ATOM 1231 O VAL A 81 15.111 -7.957 -12.131 1.00 0.00 O ATOM 1232 CB VAL A 81 16.569 -7.641 -15.090 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.924 -6.316 -14.432 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.644 -8.054 -16.085 1.00 0.00 C ATOM 0 H VAL A 81 16.029 -10.101 -15.581 1.00 0.00 H new ATOM 0 HA VAL A 81 17.203 -8.715 -13.330 1.00 0.00 H new ATOM 0 HB VAL A 81 15.634 -7.513 -15.635 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.066 -5.555 -15.199 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.117 -6.013 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.844 -6.429 -13.859 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.773 -7.267 -16.828 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.585 -8.214 -15.559 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.345 -8.977 -16.582 1.00 0.00 H new ATOM 1244 N PRO A 82 13.903 -8.756 -13.854 1.00 0.00 N ATOM 1245 CA PRO A 82 12.607 -8.522 -13.207 1.00 0.00 C ATOM 1246 C PRO A 82 12.553 -9.082 -11.789 1.00 0.00 C ATOM 1247 O PRO A 82 12.943 -10.224 -11.546 1.00 0.00 O ATOM 1248 CB PRO A 82 11.621 -9.265 -14.110 1.00 0.00 C ATOM 1249 CG PRO A 82 12.267 -9.267 -15.451 1.00 0.00 C ATOM 1250 CD PRO A 82 13.748 -9.350 -15.197 1.00 0.00 C ATOM 0 HA PRO A 82 12.393 -7.458 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.445 -10.280 -13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.653 -8.764 -14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.925 -10.113 -16.048 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.016 -8.363 -16.006 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.102 -10.380 -15.223 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.315 -8.799 -15.947 1.00 0.00 H new ATOM 1258 N LYS A 83 12.066 -8.269 -10.857 1.00 0.00 N ATOM 1259 CA LYS A 83 11.958 -8.680 -9.462 1.00 0.00 C ATOM 1260 C LYS A 83 11.182 -7.645 -8.650 1.00 0.00 C ATOM 1261 O LYS A 83 11.668 -7.147 -7.633 1.00 0.00 O ATOM 1262 CB LYS A 83 13.349 -8.885 -8.860 1.00 0.00 C ATOM 1263 CG LYS A 83 13.385 -9.920 -7.749 1.00 0.00 C ATOM 1264 CD LYS A 83 14.681 -10.713 -7.766 1.00 0.00 C ATOM 1265 CE LYS A 83 15.757 -10.040 -6.928 1.00 0.00 C ATOM 1266 NZ LYS A 83 16.674 -9.214 -7.761 1.00 0.00 N ATOM 0 H LYS A 83 11.740 -7.321 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 83 11.414 -9.624 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.036 -9.188 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.711 -7.933 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.274 -9.424 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.540 -10.600 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.499 -11.718 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.031 -10.818 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.288 -9.411 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.333 -10.799 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.393 -8.772 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.142 -9.819 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.129 -8.473 -8.247 1.00 0.00 H new ATOM 1280 N PRO A 84 9.960 -7.302 -9.094 1.00 0.00 N ATOM 1281 CA PRO A 84 9.116 -6.319 -8.406 1.00 0.00 C ATOM 1282 C PRO A 84 8.538 -6.857 -7.102 1.00 0.00 C ATOM 1283 O PRO A 84 8.201 -8.037 -6.999 1.00 0.00 O ATOM 1284 CB PRO A 84 7.999 -6.050 -9.413 1.00 0.00 C ATOM 1285 CG PRO A 84 7.906 -7.300 -10.216 1.00 0.00 C ATOM 1286 CD PRO A 84 9.306 -7.845 -10.300 1.00 0.00 C ATOM 0 HA PRO A 84 9.678 -5.430 -8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.057 -5.831 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.232 -5.191 -10.043 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.236 -8.018 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.506 -7.097 -11.209 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.313 -8.935 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.809 -7.520 -11.210 1.00 0.00 H new ATOM 1294 N GLN A 85 8.421 -5.981 -6.108 1.00 0.00 N ATOM 1295 CA GLN A 85 7.878 -6.364 -4.811 1.00 0.00 C ATOM 1296 C GLN A 85 6.422 -5.929 -4.691 1.00 0.00 C ATOM 1297 O GLN A 85 6.072 -4.799 -5.032 1.00 0.00 O ATOM 1298 CB GLN A 85 8.704 -5.742 -3.683 1.00 0.00 C ATOM 1299 CG GLN A 85 10.139 -6.244 -3.632 1.00 0.00 C ATOM 1300 CD GLN A 85 10.950 -5.578 -2.539 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.544 -4.558 -1.981 1.00 0.00 O ATOM 1302 NE2 GLN A 85 12.105 -6.153 -2.225 1.00 0.00 N ATOM 0 H GLN A 85 8.695 -5.001 -6.177 1.00 0.00 H new ATOM 0 HA GLN A 85 7.927 -7.450 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.711 -4.659 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.220 -5.954 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.137 -7.322 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.617 -6.065 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.403 -6.998 -2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.694 -5.750 -1.496 1.00 0.00 H new ATOM 1311 N ARG A 86 5.574 -6.833 -4.210 1.00 0.00 N ATOM 1312 CA ARG A 86 4.155 -6.537 -4.053 1.00 0.00 C ATOM 1313 C ARG A 86 3.749 -6.552 -2.583 1.00 0.00 C ATOM 1314 O ARG A 86 4.178 -7.415 -1.817 1.00 0.00 O ATOM 1315 CB ARG A 86 3.314 -7.550 -4.834 1.00 0.00 C ATOM 1316 CG ARG A 86 3.546 -7.504 -6.336 1.00 0.00 C ATOM 1317 CD ARG A 86 2.630 -8.469 -7.071 1.00 0.00 C ATOM 1318 NE ARG A 86 2.996 -8.608 -8.478 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.064 -9.277 -8.903 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.874 -9.870 -8.034 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.326 -9.354 -10.201 1.00 0.00 N ATOM 0 H ARG A 86 5.844 -7.774 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 86 3.975 -5.537 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.538 -8.553 -4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.259 -7.366 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.377 -6.491 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.585 -7.751 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.670 -9.445 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.600 -8.119 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 86 2.397 -8.166 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.679 -9.814 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.692 -10.382 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.708 -8.900 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.145 -9.867 -10.526 1.00 0.00 H new ATOM 1335 N HIS A 87 2.915 -5.593 -2.198 1.00 0.00 N ATOM 1336 CA HIS A 87 2.442 -5.493 -0.823 1.00 0.00 C ATOM 1337 C HIS A 87 0.972 -5.889 -0.730 1.00 0.00 C ATOM 1338 O HIS A 87 0.108 -5.242 -1.320 1.00 0.00 O ATOM 1339 CB HIS A 87 2.633 -4.069 -0.296 1.00 0.00 C ATOM 1340 CG HIS A 87 4.008 -3.804 0.234 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.270 -3.581 1.570 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.203 -3.725 -0.399 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.565 -3.375 1.736 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.153 -3.458 0.557 1.00 0.00 N ATOM 0 H HIS A 87 2.552 -4.872 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 87 3.028 -6.179 -0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.420 -3.362 -1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.906 -3.883 0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.573 -3.576 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.377 -3.849 -1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.058 -3.173 2.676 1.00 0.00 H new ATOM 1353 N MET A 88 0.697 -6.958 0.011 1.00 0.00 N ATOM 1354 CA MET A 88 -0.670 -7.438 0.173 1.00 0.00 C ATOM 1355 C MET A 88 -1.218 -7.070 1.548 1.00 0.00 C ATOM 1356 O MET A 88 -0.580 -7.324 2.570 1.00 0.00 O ATOM 1357 CB MET A 88 -0.726 -8.954 -0.021 1.00 0.00 C ATOM 1358 CG MET A 88 -2.139 -9.515 -0.030 1.00 0.00 C ATOM 1359 SD MET A 88 -2.172 -11.314 -0.164 1.00 0.00 S ATOM 1360 CE MET A 88 -3.930 -11.607 -0.337 1.00 0.00 C ATOM 0 H MET A 88 1.400 -7.506 0.507 1.00 0.00 H new ATOM 0 HA MET A 88 -1.289 -6.957 -0.585 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.237 -9.210 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.158 -9.435 0.775 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.651 -9.213 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.692 -9.082 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.230 -12.422 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.478 -10.704 -0.068 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.155 -11.874 -1.370 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.403 -6.468 1.565 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.037 -6.060 2.813 1.00 0.00 C ATOM 1372 C PHE A 89 -4.358 -6.791 3.027 1.00 0.00 C ATOM 1373 O PHE A 89 -4.947 -7.322 2.087 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.278 -4.552 2.815 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.016 -3.746 2.918 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.456 -3.475 4.154 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.394 -3.263 1.780 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.292 -2.734 4.254 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.231 -2.521 1.872 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.321 -2.257 3.112 1.00 0.00 C ATOM 0 H PHE A 89 -2.944 -6.252 0.728 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.363 -6.321 3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.804 -4.275 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.932 -4.297 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.932 -3.846 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.822 -3.468 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.137 -2.529 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.245 -2.148 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.230 -1.679 3.187 1.00 0.00 H new ATOM 1390 N SER A 90 -4.818 -6.802 4.274 1.00 0.00 N ATOM 1391 CA SER A 90 -6.073 -7.457 4.623 1.00 0.00 C ATOM 1392 C SER A 90 -6.999 -6.478 5.339 1.00 0.00 C ATOM 1393 O SER A 90 -6.628 -5.895 6.356 1.00 0.00 O ATOM 1394 CB SER A 90 -5.813 -8.679 5.505 1.00 0.00 C ATOM 1395 OG SER A 90 -6.457 -9.831 4.986 1.00 0.00 O ATOM 0 H SER A 90 -4.339 -6.364 5.061 1.00 0.00 H new ATOM 0 HA SER A 90 -6.556 -7.789 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.740 -8.859 5.575 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.170 -8.484 6.516 1.00 0.00 H new ATOM 0 HG SER A 90 -6.551 -10.501 5.695 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.196 -6.290 4.796 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.156 -5.368 5.379 1.00 0.00 C ATOM 1403 C PHE A 91 -10.218 -6.094 6.188 1.00 0.00 C ATOM 1404 O PHE A 91 -10.758 -7.113 5.760 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.825 -4.544 4.284 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.005 -3.370 3.852 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.026 -3.513 2.885 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.210 -2.127 4.420 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.263 -2.434 2.489 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.451 -1.039 4.029 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.475 -1.193 3.061 1.00 0.00 C ATOM 0 H PHE A 91 -8.522 -6.764 3.954 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.608 -4.711 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.017 -5.183 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.793 -4.192 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.857 -4.480 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.971 -2.004 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.501 -2.558 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.620 -0.072 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.880 -0.346 2.753 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.525 -5.544 7.354 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.540 -6.115 8.222 1.00 0.00 C ATOM 1423 C ASN A 92 -12.865 -5.376 8.044 1.00 0.00 C ATOM 1424 O ASN A 92 -13.805 -5.578 8.811 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.093 -6.045 9.683 1.00 0.00 C ATOM 1426 CG ASN A 92 -12.053 -6.758 10.616 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -12.856 -6.126 11.301 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -11.972 -8.082 10.646 1.00 0.00 N ATOM 0 H ASN A 92 -10.083 -4.701 7.720 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.680 -7.161 7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.102 -6.488 9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.006 -5.001 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.591 -8.617 11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.290 -8.565 10.060 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.935 -4.516 7.023 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.146 -3.756 6.757 1.00 0.00 C ATOM 1437 C ASN A 93 -14.258 -3.391 5.281 1.00 0.00 C ATOM 1438 O ASN A 93 -13.323 -2.853 4.689 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.181 -2.489 7.613 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.540 -2.776 9.058 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.322 -3.682 9.346 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -13.968 -2.005 9.975 1.00 0.00 N ATOM 0 H ASN A 93 -12.169 -4.334 6.375 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.997 -4.386 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.207 -2.001 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.905 -1.791 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.171 -2.152 10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.326 -1.265 9.691 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.414 -3.686 4.694 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.658 -3.389 3.287 1.00 0.00 C ATOM 1451 C ARG A 94 -15.651 -1.884 3.044 1.00 0.00 C ATOM 1452 O ARG A 94 -15.023 -1.401 2.103 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.995 -3.983 2.843 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.263 -3.830 1.354 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.891 -5.089 0.589 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.955 -6.089 0.631 1.00 0.00 N ATOM 1457 CZ ARG A 94 -17.791 -7.363 0.280 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.608 -7.795 -0.141 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.810 -8.207 0.350 1.00 0.00 N ATOM 0 H ARG A 94 -16.197 -4.131 5.172 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.857 -3.839 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.016 -5.042 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.800 -3.503 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -18.317 -3.604 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.694 -2.985 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.675 -4.833 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.979 -5.512 1.009 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.878 -5.794 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.820 -7.150 -0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.488 -8.772 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.721 -7.881 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.683 -9.183 0.081 1.00 0.00 H new ATOM 1473 N THR A 95 -16.354 -1.146 3.895 1.00 0.00 N ATOM 1474 CA THR A 95 -16.431 0.291 3.776 1.00 0.00 C ATOM 1475 C THR A 95 -15.061 0.924 3.947 1.00 0.00 C ATOM 1476 O THR A 95 -14.708 1.874 3.247 1.00 0.00 O ATOM 1477 CB THR A 95 -17.398 0.815 4.827 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.289 -0.206 5.242 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.230 1.968 4.341 1.00 0.00 C ATOM 0 H THR A 95 -16.881 -1.531 4.679 1.00 0.00 H new ATOM 0 HA THR A 95 -16.790 0.554 2.781 1.00 0.00 H new ATOM 0 HB THR A 95 -16.773 1.155 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.902 0.150 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.899 2.295 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.577 2.792 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.819 1.654 3.479 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.291 0.386 4.878 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.953 0.886 5.145 1.00 0.00 C ATOM 1489 C VAL A 96 -12.011 0.536 4.003 1.00 0.00 C ATOM 1490 O VAL A 96 -11.090 1.288 3.687 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.387 0.325 6.466 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.993 0.874 6.732 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.320 0.644 7.624 1.00 0.00 C ATOM 0 H VAL A 96 -14.571 -0.401 5.464 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.029 1.970 5.235 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.313 -0.758 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.613 0.465 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.328 0.590 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.037 1.961 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.905 0.241 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.429 1.725 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.296 0.196 7.439 1.00 0.00 H new ATOM 1503 N MET A 97 -12.253 -0.612 3.388 1.00 0.00 N ATOM 1504 CA MET A 97 -11.428 -1.067 2.276 1.00 0.00 C ATOM 1505 C MET A 97 -11.747 -0.278 1.007 1.00 0.00 C ATOM 1506 O MET A 97 -10.874 -0.053 0.170 1.00 0.00 O ATOM 1507 CB MET A 97 -11.611 -2.576 2.050 1.00 0.00 C ATOM 1508 CG MET A 97 -12.687 -2.944 1.035 1.00 0.00 C ATOM 1509 SD MET A 97 -12.006 -3.333 -0.588 1.00 0.00 S ATOM 1510 CE MET A 97 -12.378 -5.080 -0.703 1.00 0.00 C ATOM 0 H MET A 97 -13.012 -1.245 3.639 1.00 0.00 H new ATOM 0 HA MET A 97 -10.383 -0.888 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.661 -2.998 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.855 -3.045 3.003 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.251 -3.801 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.390 -2.117 0.941 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.017 -5.467 -1.656 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.888 -5.611 0.113 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.456 -5.228 -0.637 1.00 0.00 H new ATOM 1520 N ASP A 98 -13.002 0.141 0.874 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.429 0.905 -0.287 1.00 0.00 C ATOM 1522 C ASP A 98 -13.022 2.366 -0.155 1.00 0.00 C ATOM 1523 O ASP A 98 -12.818 3.058 -1.152 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.942 0.795 -0.473 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.418 1.458 -1.751 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -15.324 0.820 -2.821 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -15.884 2.614 -1.683 1.00 0.00 O ATOM 0 H ASP A 98 -13.738 -0.037 1.557 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.936 0.488 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.228 -0.257 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.444 1.253 0.379 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.903 2.827 1.083 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.518 4.205 1.351 1.00 0.00 C ATOM 1534 C ASN A 99 -11.045 4.425 1.044 1.00 0.00 C ATOM 1535 O ASN A 99 -10.637 5.510 0.632 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.810 4.568 2.808 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.295 4.584 3.114 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.127 4.622 2.208 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.635 4.557 4.397 1.00 0.00 N ATOM 0 H ASN A 99 -13.068 2.265 1.918 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.107 4.853 0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.314 3.852 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.386 5.548 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.619 4.567 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.912 4.526 5.116 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.253 3.382 1.248 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.820 3.441 0.996 1.00 0.00 C ATOM 1548 C ILE A 100 -8.505 3.131 -0.464 1.00 0.00 C ATOM 1549 O ILE A 100 -7.695 3.811 -1.093 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.052 2.455 1.901 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.346 2.746 3.374 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.557 2.533 1.627 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.806 4.077 3.850 1.00 0.00 C ATOM 0 H ILE A 100 -10.581 2.479 1.590 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.498 4.457 1.223 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.388 1.443 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.424 2.724 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.918 1.951 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.031 1.831 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.364 2.280 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.203 3.545 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.053 4.214 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.723 4.096 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.253 4.881 3.265 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.147 2.096 -0.996 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.932 1.691 -2.381 1.00 0.00 C ATOM 1567 C LYS A 101 -9.207 2.843 -3.341 1.00 0.00 C ATOM 1568 O LYS A 101 -8.431 3.093 -4.263 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.825 0.498 -2.731 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.599 -0.038 -4.134 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.379 -1.321 -4.373 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.866 -1.050 -4.518 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.141 0.042 -5.492 1.00 0.00 N ATOM 0 H LYS A 101 -9.821 1.522 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.887 1.400 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.647 -0.302 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.869 0.793 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.900 0.713 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.536 -0.224 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.008 -1.811 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.213 -2.009 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.371 -1.960 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.282 -0.783 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.126 -0.024 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.989 0.963 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.500 -0.049 -6.306 1.00 0.00 H new ATOM 1587 N MET A 102 -10.318 3.540 -3.123 1.00 0.00 N ATOM 1588 CA MET A 102 -10.692 4.663 -3.975 1.00 0.00 C ATOM 1589 C MET A 102 -9.747 5.838 -3.772 1.00 0.00 C ATOM 1590 O MET A 102 -9.417 6.555 -4.716 1.00 0.00 O ATOM 1591 CB MET A 102 -12.132 5.091 -3.692 1.00 0.00 C ATOM 1592 CG MET A 102 -13.164 4.040 -4.067 1.00 0.00 C ATOM 1593 SD MET A 102 -14.844 4.532 -3.637 1.00 0.00 S ATOM 1594 CE MET A 102 -15.042 5.991 -4.655 1.00 0.00 C ATOM 0 H MET A 102 -10.973 3.347 -2.365 1.00 0.00 H new ATOM 0 HA MET A 102 -10.618 4.339 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.231 5.324 -2.632 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.344 6.009 -4.241 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.109 3.848 -5.139 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.923 3.104 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.042 5.999 -5.089 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.905 6.883 -4.043 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.300 5.981 -5.453 1.00 0.00 H new ATOM 1604 N THR A 103 -9.314 6.023 -2.536 1.00 0.00 N ATOM 1605 CA THR A 103 -8.403 7.103 -2.202 1.00 0.00 C ATOM 1606 C THR A 103 -7.018 6.820 -2.776 1.00 0.00 C ATOM 1607 O THR A 103 -6.345 7.720 -3.277 1.00 0.00 O ATOM 1608 CB THR A 103 -8.346 7.289 -0.677 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.095 8.424 -0.286 1.00 0.00 O ATOM 1610 CG2 THR A 103 -6.946 7.455 -0.124 1.00 0.00 C ATOM 0 H THR A 103 -9.580 5.436 -1.745 1.00 0.00 H new ATOM 0 HA THR A 103 -8.767 8.030 -2.644 1.00 0.00 H new ATOM 0 HB THR A 103 -8.763 6.368 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.049 8.527 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.995 7.581 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.354 6.571 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.480 8.333 -0.571 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.606 5.558 -2.707 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.309 5.151 -3.227 1.00 0.00 C ATOM 1620 C LEU A 104 -5.275 5.291 -4.744 1.00 0.00 C ATOM 1621 O LEU A 104 -4.231 5.584 -5.325 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.000 3.708 -2.826 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.671 3.501 -1.348 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.501 2.021 -1.041 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.415 4.272 -0.970 1.00 0.00 C ATOM 0 H LEU A 104 -7.153 4.801 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.548 5.804 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.857 3.085 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.159 3.354 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.502 3.882 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.267 1.893 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.425 1.492 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.689 1.615 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.195 4.114 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.577 3.920 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.572 5.335 -1.152 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.425 5.084 -5.379 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.521 5.194 -6.829 1.00 0.00 C ATOM 1639 C GLN A 105 -6.339 6.637 -7.272 1.00 0.00 C ATOM 1640 O GLN A 105 -5.790 6.908 -8.340 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.867 4.652 -7.318 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.743 3.422 -8.203 1.00 0.00 C ATOM 1643 CD GLN A 105 -7.333 3.763 -9.622 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -7.238 4.934 -9.989 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -7.089 2.738 -10.430 1.00 0.00 N ATOM 0 H GLN A 105 -7.299 4.840 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.724 4.596 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.486 4.407 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.386 5.436 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.010 2.741 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.697 2.895 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.180 1.783 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.811 2.906 -11.397 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.797 7.560 -6.440 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.677 8.980 -6.740 1.00 0.00 C ATOM 1656 C GLN A 106 -5.211 9.388 -6.765 1.00 0.00 C ATOM 1657 O GLN A 106 -4.785 10.152 -7.632 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.440 9.816 -5.711 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.947 9.633 -5.776 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.524 10.017 -7.125 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.253 11.100 -7.644 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.324 9.127 -7.701 1.00 0.00 N ATOM 0 H GLN A 106 -7.255 7.352 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.112 9.163 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.093 9.552 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.203 10.869 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.192 8.593 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.416 10.237 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.521 8.242 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.741 9.329 -8.610 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.439 8.859 -5.821 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.018 9.155 -5.752 1.00 0.00 C ATOM 1673 C ILE A 107 -2.346 8.770 -7.065 1.00 0.00 C ATOM 1674 O ILE A 107 -1.547 9.525 -7.617 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.344 8.401 -4.589 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.967 8.816 -3.256 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.844 8.655 -4.586 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.618 7.891 -2.110 1.00 0.00 C ATOM 0 H ILE A 107 -4.775 8.225 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.905 10.225 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.507 7.332 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.639 9.826 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.051 8.851 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.385 8.115 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.415 8.310 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.656 9.722 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.095 8.247 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.971 6.884 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.537 7.874 -1.972 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.700 7.591 -7.563 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.164 7.090 -8.824 1.00 0.00 C ATOM 1692 C ILE A 108 -2.347 8.119 -9.920 1.00 0.00 C ATOM 1693 O ILE A 108 -1.408 8.493 -10.623 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.881 5.801 -9.270 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.108 4.856 -8.089 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.097 5.115 -10.372 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.911 4.711 -7.177 1.00 0.00 C ATOM 0 H ILE A 108 -3.361 6.960 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.107 6.883 -8.659 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.860 6.075 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.955 5.218 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.381 3.873 -8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.616 4.206 -10.676 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.008 5.786 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.103 4.860 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.153 4.025 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.067 4.319 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.649 5.685 -6.763 1.00 0.00 H new ATOM 1709 N SER A 109 -3.582 8.559 -10.045 1.00 0.00 N ATOM 1710 CA SER A 109 -3.956 9.549 -11.049 1.00 0.00 C ATOM 1711 C SER A 109 -3.125 10.818 -10.912 1.00 0.00 C ATOM 1712 O SER A 109 -2.915 11.543 -11.885 1.00 0.00 O ATOM 1713 CB SER A 109 -5.445 9.886 -10.932 1.00 0.00 C ATOM 1714 OG SER A 109 -5.860 10.736 -11.986 1.00 0.00 O ATOM 0 H SER A 109 -4.356 8.246 -9.459 1.00 0.00 H new ATOM 0 HA SER A 109 -3.760 9.119 -12.031 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.031 8.967 -10.949 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.637 10.369 -9.974 1.00 0.00 H new ATOM 0 HG SER A 109 -6.815 10.935 -11.889 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.655 11.082 -9.701 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.848 12.262 -9.438 1.00 0.00 C ATOM 1722 C ARG A 110 -0.430 12.076 -9.964 1.00 0.00 C ATOM 1723 O ARG A 110 0.203 13.024 -10.428 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.851 12.582 -7.933 1.00 0.00 C ATOM 1725 CG ARG A 110 -0.470 12.736 -7.313 1.00 0.00 C ATOM 1726 CD ARG A 110 -0.552 13.315 -5.910 1.00 0.00 C ATOM 1727 NE ARG A 110 0.756 13.733 -5.411 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.639 12.904 -4.859 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.364 11.613 -4.736 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.805 13.369 -4.431 1.00 0.00 N ATOM 0 H ARG A 110 -2.820 10.493 -8.885 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.284 13.110 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.411 13.503 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.384 11.789 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.025 11.766 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.142 13.384 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.230 14.169 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.976 12.571 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 110 1.007 14.718 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.470 11.248 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.046 10.984 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.024 14.361 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.483 12.735 -4.008 1.00 0.00 H new ATOM 1744 N TYR A 111 0.054 10.847 -9.896 1.00 0.00 N ATOM 1745 CA TYR A 111 1.395 10.528 -10.374 1.00 0.00 C ATOM 1746 C TYR A 111 1.416 10.458 -11.894 1.00 0.00 C ATOM 1747 O TYR A 111 2.430 10.747 -12.530 1.00 0.00 O ATOM 1748 CB TYR A 111 1.878 9.205 -9.778 1.00 0.00 C ATOM 1749 CG TYR A 111 2.435 9.342 -8.379 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.734 9.792 -8.170 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.665 9.024 -7.269 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.247 9.920 -6.894 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.171 9.149 -5.989 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.462 9.597 -5.807 1.00 0.00 C ATOM 1755 OH TYR A 111 3.970 9.723 -4.535 1.00 0.00 O ATOM 0 H TYR A 111 -0.459 10.052 -9.515 1.00 0.00 H new ATOM 0 HA TYR A 111 2.070 11.321 -10.052 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.048 8.498 -9.763 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.645 8.782 -10.426 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.352 10.045 -9.019 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.653 8.673 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.258 10.271 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.558 8.897 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 111 3.289 9.456 -3.883 1.00 0.00 H new ATOM 1765 N LYS A 112 0.284 10.074 -12.468 1.00 0.00 N ATOM 1766 CA LYS A 112 0.153 9.965 -13.911 1.00 0.00 C ATOM 1767 C LYS A 112 0.017 11.344 -14.549 1.00 0.00 C ATOM 1768 O LYS A 112 0.448 11.561 -15.681 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.058 9.101 -14.270 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.893 7.638 -13.894 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.226 6.995 -13.551 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.177 7.019 -14.737 1.00 0.00 C ATOM 1773 NZ LYS A 112 -2.546 6.463 -15.966 1.00 0.00 N ATOM 0 H LYS A 112 -0.561 9.832 -11.951 1.00 0.00 H new ATOM 0 HA LYS A 112 1.055 9.492 -14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.940 9.499 -13.768 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.241 9.174 -15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.431 7.099 -14.721 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.218 7.555 -13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.064 5.965 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.679 7.520 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.072 6.445 -14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.497 8.044 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.265 5.969 -16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.136 7.237 -16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.796 5.794 -15.699 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.585 12.274 -13.813 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.778 13.633 -14.307 1.00 0.00 C ATOM 1789 C ASP A 113 0.560 14.281 -14.657 1.00 0.00 C ATOM 1790 O ASP A 113 0.660 15.036 -15.623 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.508 14.479 -13.262 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.907 15.841 -13.797 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.968 15.935 -14.448 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.158 16.812 -13.564 1.00 0.00 O ATOM 0 H ASP A 113 -0.947 12.111 -12.873 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.384 13.581 -15.211 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.399 13.948 -12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.867 14.608 -12.390 1.00 0.00 H new ATOM 1799 N ALA A 114 1.582 13.981 -13.864 1.00 0.00 N ATOM 1800 CA ALA A 114 2.911 14.533 -14.090 1.00 0.00 C ATOM 1801 C ALA A 114 3.459 14.111 -15.449 1.00 0.00 C ATOM 1802 O ALA A 114 4.189 14.861 -16.097 1.00 0.00 O ATOM 1803 CB ALA A 114 3.859 14.100 -12.981 1.00 0.00 C ATOM 0 H ALA A 114 1.515 13.358 -13.059 1.00 0.00 H new ATOM 0 HA ALA A 114 2.830 15.620 -14.081 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.848 14.520 -13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.484 14.457 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.925 13.012 -12.962 1.00 0.00 H new ATOM 1809 N ASP A 115 3.099 12.904 -15.876 1.00 0.00 N ATOM 1810 CA ASP A 115 3.555 12.381 -17.160 1.00 0.00 C ATOM 1811 C ASP A 115 2.762 12.997 -18.309 1.00 0.00 C ATOM 1812 O ASP A 115 3.164 12.800 -19.475 1.00 0.00 O ATOM 1813 CB ASP A 115 3.420 10.858 -17.190 1.00 0.00 C ATOM 1814 CG ASP A 115 4.347 10.175 -16.202 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.301 10.829 -15.735 1.00 0.00 O ATOM 1816 OD2 ASP A 115 4.117 8.986 -15.898 1.00 0.00 O ATOM 1817 OXT ASP A 115 1.747 13.668 -18.034 1.00 0.00 O ATOM 0 H ASP A 115 2.494 12.271 -15.353 1.00 0.00 H new ATOM 0 HA ASP A 115 4.605 12.648 -17.282 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.389 10.583 -16.967 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.635 10.497 -18.196 1.00 0.00 H new TER 1822 ASP A 115