USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 691 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 46 SER OG : rot 138:sc= 1.19 USER MOD Set 1.2: A 67 TYR OH : rot -71:sc= 0.137! USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.141 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.31 USER MOD Single : A 3 MET CE :methyl -159:sc= 0 (180deg=-0.834) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.655 K(o=0.65,f=-3.4!) USER MOD Single : A 9 SER OG : rot 180:sc= -1.25 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 98:sc= 0.993 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.709 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.301 X(o=0.3,f=-0.082) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.549 K(o=0.55,f=-3.2!) USER MOD Single : A 51 SER OG : rot -166:sc= 1.08 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.534 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 1.13! (180deg=-1.43) USER MOD Single : A 66 GLN : amide:sc= 1.13 K(o=1.1,f=-2.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 1.91! (180deg=1.11!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -106:sc= 0.758 (180deg=-5.2!) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0.813 (180deg=0.131!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -43:sc= 1.03 USER MOD Single : A 84 ASN : amide:sc= -1.31! C(o=-1.3!,f=-4.7!) USER MOD Single : A 89 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.743 -33.325 12.679 1.00 5.89 N ATOM 2 CA GLY A 1 0.548 -33.567 11.811 1.00 5.63 C ATOM 3 C GLY A 1 0.734 -32.832 10.481 1.00 5.74 C ATOM 4 O GLY A 1 1.800 -32.317 10.196 1.00 6.07 O ATOM 0 H1 GLY A 1 2.138 -34.236 12.988 1.00 5.89 H new ATOM 0 H2 GLY A 1 2.462 -32.801 12.141 1.00 5.89 H new ATOM 0 H3 GLY A 1 1.461 -32.769 13.512 1.00 5.89 H new ATOM 0 HA2 GLY A 1 0.422 -34.635 11.635 1.00 5.63 H new ATOM 0 HA3 GLY A 1 -0.356 -33.217 12.310 1.00 5.63 H new ATOM 10 N SER A 2 -0.294 -32.764 9.672 1.00 5.59 N ATOM 11 CA SER A 2 -0.184 -32.044 8.365 1.00 5.80 C ATOM 12 C SER A 2 -1.579 -31.799 7.773 1.00 5.66 C ATOM 13 O SER A 2 -2.576 -31.848 8.471 1.00 5.54 O ATOM 14 CB SER A 2 0.654 -32.954 7.460 1.00 5.91 C ATOM 15 OG SER A 2 0.744 -32.368 6.162 1.00 6.27 O ATOM 0 H SER A 2 -1.207 -33.177 9.861 1.00 5.59 H new ATOM 0 HA SER A 2 0.282 -31.065 8.475 1.00 5.80 H new ATOM 0 HB2 SER A 2 1.650 -33.089 7.881 1.00 5.91 H new ATOM 0 HB3 SER A 2 0.199 -33.942 7.396 1.00 5.91 H new ATOM 0 HG SER A 2 0.987 -31.422 6.246 1.00 6.27 H new ATOM 21 N MET A 3 -1.660 -31.532 6.495 1.00 5.79 N ATOM 22 CA MET A 3 -2.990 -31.277 5.855 1.00 5.73 C ATOM 23 C MET A 3 -3.232 -32.242 4.685 1.00 5.53 C ATOM 24 O MET A 3 -2.302 -32.759 4.090 1.00 5.59 O ATOM 25 CB MET A 3 -2.926 -29.819 5.365 1.00 6.10 C ATOM 26 CG MET A 3 -1.890 -29.676 4.235 1.00 6.25 C ATOM 27 SD MET A 3 -0.873 -28.203 4.525 1.00 6.22 S ATOM 28 CE MET A 3 0.173 -28.320 3.039 1.00 6.49 C ATOM 0 H MET A 3 -0.861 -31.479 5.863 1.00 5.79 H new ATOM 0 HA MET A 3 -3.813 -31.435 6.551 1.00 5.73 H new ATOM 0 HB2 MET A 3 -3.907 -29.505 5.009 1.00 6.10 H new ATOM 0 HB3 MET A 3 -2.662 -29.162 6.194 1.00 6.10 H new ATOM 0 HG2 MET A 3 -1.259 -30.564 4.192 1.00 6.25 H new ATOM 0 HG3 MET A 3 -2.395 -29.598 3.272 1.00 6.25 H new ATOM 0 HE1 MET A 3 1.090 -27.752 3.194 1.00 6.49 H new ATOM 0 HE2 MET A 3 0.420 -29.365 2.849 1.00 6.49 H new ATOM 0 HE3 MET A 3 -0.365 -27.913 2.183 1.00 6.49 H new ATOM 38 N SER A 4 -4.475 -32.490 4.355 1.00 5.38 N ATOM 39 CA SER A 4 -4.783 -33.424 3.227 1.00 5.23 C ATOM 40 C SER A 4 -5.476 -32.686 2.072 1.00 4.86 C ATOM 41 O SER A 4 -6.509 -33.109 1.589 1.00 4.86 O ATOM 42 CB SER A 4 -5.709 -34.483 3.827 1.00 5.72 C ATOM 43 OG SER A 4 -5.033 -35.734 3.840 1.00 6.16 O ATOM 0 H SER A 4 -5.290 -32.087 4.817 1.00 5.38 H new ATOM 0 HA SER A 4 -3.878 -33.863 2.808 1.00 5.23 H new ATOM 0 HB2 SER A 4 -5.998 -34.201 4.839 1.00 5.72 H new ATOM 0 HB3 SER A 4 -6.626 -34.556 3.242 1.00 5.72 H new ATOM 0 HG SER A 4 -5.619 -36.419 4.225 1.00 6.16 H new ATOM 49 N ILE A 5 -4.905 -31.596 1.613 1.00 4.60 N ATOM 50 CA ILE A 5 -5.519 -30.843 0.472 1.00 4.27 C ATOM 51 C ILE A 5 -5.778 -31.790 -0.699 1.00 3.94 C ATOM 52 O ILE A 5 -6.828 -31.777 -1.312 1.00 3.87 O ATOM 53 CB ILE A 5 -4.478 -29.776 0.092 1.00 4.10 C ATOM 54 CG1 ILE A 5 -3.092 -30.419 -0.144 1.00 4.03 C ATOM 55 CG2 ILE A 5 -4.381 -28.759 1.226 1.00 4.43 C ATOM 56 CD1 ILE A 5 -1.982 -29.458 0.285 1.00 4.20 C ATOM 0 H ILE A 5 -4.041 -31.196 1.979 1.00 4.60 H new ATOM 0 HA ILE A 5 -6.477 -30.395 0.735 1.00 4.27 H new ATOM 0 HB ILE A 5 -4.790 -29.287 -0.831 1.00 4.10 H new ATOM 0 HG12 ILE A 5 -3.015 -31.349 0.418 1.00 4.03 H new ATOM 0 HG13 ILE A 5 -2.976 -30.673 -1.198 1.00 4.03 H new ATOM 0 HG21 ILE A 5 -3.646 -27.996 0.969 1.00 4.43 H new ATOM 0 HG22 ILE A 5 -5.353 -28.289 1.378 1.00 4.43 H new ATOM 0 HG23 ILE A 5 -4.075 -29.264 2.142 1.00 4.43 H new ATOM 0 HD11 ILE A 5 -1.011 -29.923 0.113 1.00 4.20 H new ATOM 0 HD12 ILE A 5 -2.052 -28.539 -0.297 1.00 4.20 H new ATOM 0 HD13 ILE A 5 -2.091 -29.226 1.344 1.00 4.20 H new ATOM 68 N MET A 6 -4.810 -32.614 -0.990 1.00 3.81 N ATOM 69 CA MET A 6 -4.929 -33.602 -2.111 1.00 3.51 C ATOM 70 C MET A 6 -5.345 -32.904 -3.420 1.00 3.04 C ATOM 71 O MET A 6 -5.960 -33.499 -4.283 1.00 2.98 O ATOM 72 CB MET A 6 -5.997 -34.602 -1.642 1.00 3.85 C ATOM 73 CG MET A 6 -5.387 -36.002 -1.541 1.00 3.97 C ATOM 74 SD MET A 6 -6.615 -37.141 -0.857 1.00 4.65 S ATOM 75 CE MET A 6 -7.243 -37.788 -2.424 1.00 5.26 C ATOM 0 H MET A 6 -3.921 -32.648 -0.490 1.00 3.81 H new ATOM 0 HA MET A 6 -3.982 -34.095 -2.329 1.00 3.51 H new ATOM 0 HB2 MET A 6 -6.393 -34.297 -0.673 1.00 3.85 H new ATOM 0 HB3 MET A 6 -6.833 -34.609 -2.341 1.00 3.85 H new ATOM 0 HG2 MET A 6 -5.066 -36.343 -2.525 1.00 3.97 H new ATOM 0 HG3 MET A 6 -4.501 -35.980 -0.906 1.00 3.97 H new ATOM 0 HE1 MET A 6 -8.025 -38.521 -2.228 1.00 5.26 H new ATOM 0 HE2 MET A 6 -7.653 -36.970 -3.017 1.00 5.26 H new ATOM 0 HE3 MET A 6 -6.430 -38.263 -2.974 1.00 5.26 H new ATOM 85 N ASP A 7 -4.988 -31.650 -3.582 1.00 2.76 N ATOM 86 CA ASP A 7 -5.338 -30.913 -4.840 1.00 2.39 C ATOM 87 C ASP A 7 -4.555 -31.482 -6.039 1.00 2.08 C ATOM 88 O ASP A 7 -4.928 -31.283 -7.180 1.00 1.89 O ATOM 89 CB ASP A 7 -4.935 -29.453 -4.572 1.00 2.31 C ATOM 90 CG ASP A 7 -3.420 -29.346 -4.368 1.00 2.22 C ATOM 91 OD1 ASP A 7 -2.929 -29.906 -3.399 1.00 2.58 O ATOM 92 OD2 ASP A 7 -2.777 -28.710 -5.187 1.00 1.96 O ATOM 0 H ASP A 7 -4.468 -31.104 -2.895 1.00 2.76 H new ATOM 0 HA ASP A 7 -6.395 -31.006 -5.088 1.00 2.39 H new ATOM 0 HB2 ASP A 7 -5.241 -28.825 -5.409 1.00 2.31 H new ATOM 0 HB3 ASP A 7 -5.454 -29.082 -3.688 1.00 2.31 H new ATOM 97 N HIS A 8 -3.465 -32.177 -5.780 1.00 2.19 N ATOM 98 CA HIS A 8 -2.635 -32.757 -6.886 1.00 2.11 C ATOM 99 C HIS A 8 -2.178 -31.641 -7.840 1.00 1.91 C ATOM 100 O HIS A 8 -2.051 -31.838 -9.038 1.00 1.91 O ATOM 101 CB HIS A 8 -3.554 -33.762 -7.597 1.00 2.07 C ATOM 102 CG HIS A 8 -2.725 -34.791 -8.312 1.00 2.22 C ATOM 103 ND1 HIS A 8 -1.888 -34.457 -9.359 1.00 2.25 N ATOM 104 CD2 HIS A 8 -2.606 -36.148 -8.152 1.00 2.49 C ATOM 105 CE1 HIS A 8 -1.307 -35.592 -9.792 1.00 2.53 C ATOM 106 NE2 HIS A 8 -1.710 -36.653 -9.088 1.00 2.64 N ATOM 0 H HIS A 8 -3.115 -32.367 -4.841 1.00 2.19 H new ATOM 0 HA HIS A 8 -1.730 -33.242 -6.520 1.00 2.11 H new ATOM 0 HB2 HIS A 8 -4.207 -34.248 -6.872 1.00 2.07 H new ATOM 0 HB3 HIS A 8 -4.197 -33.242 -8.307 1.00 2.07 H new ATOM 0 HD1 HIS A 8 -1.737 -33.521 -9.736 1.00 2.25 H new ATOM 0 HD2 HIS A 8 -3.129 -36.735 -7.412 1.00 2.49 H new ATOM 0 HE1 HIS A 8 -0.602 -35.639 -10.608 1.00 2.53 H new ATOM 114 N SER A 9 -1.932 -30.469 -7.310 1.00 1.88 N ATOM 115 CA SER A 9 -1.493 -29.330 -8.152 1.00 1.83 C ATOM 116 C SER A 9 -0.323 -28.594 -7.480 1.00 1.95 C ATOM 117 O SER A 9 0.035 -28.896 -6.355 1.00 2.03 O ATOM 118 CB SER A 9 -2.727 -28.430 -8.239 1.00 1.71 C ATOM 119 OG SER A 9 -2.955 -28.074 -9.596 1.00 1.85 O ATOM 0 H SER A 9 -2.020 -30.257 -6.316 1.00 1.88 H new ATOM 0 HA SER A 9 -1.139 -29.640 -9.135 1.00 1.83 H new ATOM 0 HB2 SER A 9 -3.598 -28.947 -7.836 1.00 1.71 H new ATOM 0 HB3 SER A 9 -2.581 -27.534 -7.636 1.00 1.71 H new ATOM 0 HG SER A 9 -3.746 -27.499 -9.655 1.00 1.85 H new ATOM 125 N PRO A 10 0.238 -27.641 -8.185 1.00 2.09 N ATOM 126 CA PRO A 10 1.377 -26.861 -7.635 1.00 2.28 C ATOM 127 C PRO A 10 0.889 -25.832 -6.600 1.00 2.04 C ATOM 128 O PRO A 10 1.123 -24.641 -6.732 1.00 2.08 O ATOM 129 CB PRO A 10 1.960 -26.170 -8.860 1.00 2.60 C ATOM 130 CG PRO A 10 0.837 -26.087 -9.848 1.00 2.54 C ATOM 131 CD PRO A 10 -0.128 -27.203 -9.539 1.00 2.24 C ATOM 0 HA PRO A 10 2.105 -27.482 -7.113 1.00 2.28 H new ATOM 0 HB2 PRO A 10 2.335 -25.178 -8.609 1.00 2.60 H new ATOM 0 HB3 PRO A 10 2.799 -26.735 -9.267 1.00 2.60 H new ATOM 0 HG2 PRO A 10 0.338 -25.120 -9.780 1.00 2.54 H new ATOM 0 HG3 PRO A 10 1.215 -26.179 -10.866 1.00 2.54 H new ATOM 0 HD2 PRO A 10 -1.161 -26.857 -9.579 1.00 2.24 H new ATOM 0 HD3 PRO A 10 -0.037 -28.017 -10.258 1.00 2.24 H new ATOM 139 N THR A 11 0.221 -26.286 -5.569 1.00 1.90 N ATOM 140 CA THR A 11 -0.288 -25.339 -4.517 1.00 1.82 C ATOM 141 C THR A 11 0.858 -24.469 -3.979 1.00 2.01 C ATOM 142 O THR A 11 0.681 -23.292 -3.729 1.00 1.91 O ATOM 143 CB THR A 11 -0.893 -26.210 -3.402 1.00 1.93 C ATOM 144 OG1 THR A 11 -1.395 -25.363 -2.379 1.00 2.05 O ATOM 145 CG2 THR A 11 0.166 -27.138 -2.804 1.00 2.28 C ATOM 0 H THR A 11 0.004 -27.269 -5.406 1.00 1.90 H new ATOM 0 HA THR A 11 -1.036 -24.658 -4.923 1.00 1.82 H new ATOM 0 HB THR A 11 -1.693 -26.818 -3.825 1.00 1.93 H new ATOM 0 HG1 THR A 11 -1.784 -25.909 -1.664 1.00 2.05 H new ATOM 0 HG21 THR A 11 -0.284 -27.744 -2.018 1.00 2.28 H new ATOM 0 HG22 THR A 11 0.561 -27.789 -3.584 1.00 2.28 H new ATOM 0 HG23 THR A 11 0.976 -26.542 -2.384 1.00 2.28 H new ATOM 153 N THR A 12 2.036 -25.033 -3.828 1.00 2.34 N ATOM 154 CA THR A 12 3.207 -24.232 -3.332 1.00 2.60 C ATOM 155 C THR A 12 3.418 -22.997 -4.218 1.00 2.51 C ATOM 156 O THR A 12 3.860 -21.959 -3.756 1.00 2.56 O ATOM 157 CB THR A 12 4.419 -25.178 -3.390 1.00 3.03 C ATOM 158 OG1 THR A 12 5.577 -24.488 -2.955 1.00 3.30 O ATOM 159 CG2 THR A 12 4.643 -25.680 -4.819 1.00 3.11 C ATOM 0 H THR A 12 2.238 -26.013 -4.027 1.00 2.34 H new ATOM 0 HA THR A 12 3.050 -23.864 -2.318 1.00 2.60 H new ATOM 0 HB THR A 12 4.225 -26.032 -2.741 1.00 3.03 H new ATOM 0 HG1 THR A 12 6.349 -25.090 -2.990 1.00 3.30 H new ATOM 0 HG21 THR A 12 5.504 -26.348 -4.839 1.00 3.11 H new ATOM 0 HG22 THR A 12 3.758 -26.219 -5.158 1.00 3.11 H new ATOM 0 HG23 THR A 12 4.826 -24.831 -5.478 1.00 3.11 H new ATOM 167 N GLY A 13 3.073 -23.088 -5.478 1.00 2.44 N ATOM 168 CA GLY A 13 3.217 -21.913 -6.388 1.00 2.49 C ATOM 169 C GLY A 13 2.140 -20.892 -6.036 1.00 2.13 C ATOM 170 O GLY A 13 2.434 -19.753 -5.723 1.00 2.14 O ATOM 0 H GLY A 13 2.697 -23.929 -5.916 1.00 2.44 H new ATOM 0 HA2 GLY A 13 4.207 -21.471 -6.281 1.00 2.49 H new ATOM 0 HA3 GLY A 13 3.118 -22.225 -7.428 1.00 2.49 H new ATOM 174 N VAL A 14 0.895 -21.304 -6.049 1.00 1.86 N ATOM 175 CA VAL A 14 -0.215 -20.368 -5.678 1.00 1.61 C ATOM 176 C VAL A 14 0.076 -19.786 -4.289 1.00 1.49 C ATOM 177 O VAL A 14 -0.078 -18.602 -4.058 1.00 1.42 O ATOM 178 CB VAL A 14 -1.489 -21.231 -5.665 1.00 1.49 C ATOM 179 CG1 VAL A 14 -2.665 -20.421 -5.110 1.00 1.46 C ATOM 180 CG2 VAL A 14 -1.823 -21.678 -7.093 1.00 1.75 C ATOM 0 H VAL A 14 0.599 -22.247 -6.300 1.00 1.86 H new ATOM 0 HA VAL A 14 -0.321 -19.532 -6.369 1.00 1.61 H new ATOM 0 HB VAL A 14 -1.317 -22.103 -5.034 1.00 1.49 H new ATOM 0 HG11 VAL A 14 -3.562 -21.040 -5.104 1.00 1.46 H new ATOM 0 HG12 VAL A 14 -2.439 -20.101 -4.093 1.00 1.46 H new ATOM 0 HG13 VAL A 14 -2.832 -19.545 -5.737 1.00 1.46 H new ATOM 0 HG21 VAL A 14 -2.726 -22.289 -7.081 1.00 1.75 H new ATOM 0 HG22 VAL A 14 -1.986 -20.801 -7.720 1.00 1.75 H new ATOM 0 HG23 VAL A 14 -0.995 -22.262 -7.495 1.00 1.75 H new ATOM 190 N VAL A 15 0.532 -20.611 -3.375 1.00 1.60 N ATOM 191 CA VAL A 15 0.871 -20.112 -2.004 1.00 1.69 C ATOM 192 C VAL A 15 2.042 -19.130 -2.100 1.00 1.84 C ATOM 193 O VAL A 15 2.018 -18.060 -1.519 1.00 1.77 O ATOM 194 CB VAL A 15 1.251 -21.360 -1.190 1.00 2.01 C ATOM 195 CG1 VAL A 15 1.906 -20.943 0.133 1.00 2.32 C ATOM 196 CG2 VAL A 15 -0.010 -22.173 -0.884 1.00 1.96 C ATOM 0 H VAL A 15 0.684 -21.609 -3.520 1.00 1.60 H new ATOM 0 HA VAL A 15 0.044 -19.582 -1.532 1.00 1.69 H new ATOM 0 HB VAL A 15 1.951 -21.961 -1.770 1.00 2.01 H new ATOM 0 HG11 VAL A 15 2.172 -21.833 0.704 1.00 2.32 H new ATOM 0 HG12 VAL A 15 2.805 -20.362 -0.073 1.00 2.32 H new ATOM 0 HG13 VAL A 15 1.207 -20.338 0.710 1.00 2.32 H new ATOM 0 HG21 VAL A 15 0.259 -23.058 -0.307 1.00 1.96 H new ATOM 0 HG22 VAL A 15 -0.706 -21.562 -0.309 1.00 1.96 H new ATOM 0 HG23 VAL A 15 -0.482 -22.478 -1.818 1.00 1.96 H new ATOM 206 N THR A 16 3.052 -19.479 -2.854 1.00 2.12 N ATOM 207 CA THR A 16 4.226 -18.560 -3.023 1.00 2.38 C ATOM 208 C THR A 16 3.744 -17.224 -3.587 1.00 2.18 C ATOM 209 O THR A 16 4.089 -16.169 -3.088 1.00 2.20 O ATOM 210 CB THR A 16 5.176 -19.264 -4.004 1.00 2.73 C ATOM 211 OG1 THR A 16 5.689 -20.439 -3.397 1.00 2.97 O ATOM 212 CG2 THR A 16 6.343 -18.339 -4.353 1.00 3.03 C ATOM 0 H THR A 16 3.118 -20.361 -3.362 1.00 2.12 H new ATOM 0 HA THR A 16 4.731 -18.353 -2.080 1.00 2.38 H new ATOM 0 HB THR A 16 4.628 -19.518 -4.911 1.00 2.73 H new ATOM 0 HG1 THR A 16 5.171 -21.215 -3.697 1.00 2.97 H new ATOM 0 HG21 THR A 16 7.013 -18.845 -5.049 1.00 3.03 H new ATOM 0 HG22 THR A 16 5.960 -17.429 -4.814 1.00 3.03 H new ATOM 0 HG23 THR A 16 6.889 -18.084 -3.445 1.00 3.03 H new ATOM 220 N VAL A 17 2.922 -17.261 -4.603 1.00 2.05 N ATOM 221 CA VAL A 17 2.392 -15.979 -5.174 1.00 2.00 C ATOM 222 C VAL A 17 1.504 -15.298 -4.140 1.00 1.66 C ATOM 223 O VAL A 17 1.534 -14.102 -4.003 1.00 1.67 O ATOM 224 CB VAL A 17 1.554 -16.323 -6.405 1.00 2.09 C ATOM 225 CG1 VAL A 17 1.341 -15.055 -7.235 1.00 2.34 C ATOM 226 CG2 VAL A 17 2.260 -17.369 -7.274 1.00 2.39 C ATOM 0 H VAL A 17 2.595 -18.112 -5.061 1.00 2.05 H new ATOM 0 HA VAL A 17 3.212 -15.312 -5.442 1.00 2.00 H new ATOM 0 HB VAL A 17 0.599 -16.730 -6.071 1.00 2.09 H new ATOM 0 HG11 VAL A 17 0.744 -15.292 -8.115 1.00 2.34 H new ATOM 0 HG12 VAL A 17 0.821 -14.310 -6.634 1.00 2.34 H new ATOM 0 HG13 VAL A 17 2.307 -14.659 -7.548 1.00 2.34 H new ATOM 0 HG21 VAL A 17 1.643 -17.596 -8.143 1.00 2.39 H new ATOM 0 HG22 VAL A 17 3.222 -16.978 -7.604 1.00 2.39 H new ATOM 0 HG23 VAL A 17 2.418 -18.278 -6.693 1.00 2.39 H new ATOM 236 N ILE A 18 0.716 -16.044 -3.401 1.00 1.43 N ATOM 237 CA ILE A 18 -0.155 -15.402 -2.365 1.00 1.26 C ATOM 238 C ILE A 18 0.727 -14.718 -1.327 1.00 1.33 C ATOM 239 O ILE A 18 0.457 -13.613 -0.913 1.00 1.29 O ATOM 240 CB ILE A 18 -0.983 -16.540 -1.745 1.00 1.26 C ATOM 241 CG1 ILE A 18 -2.139 -16.920 -2.688 1.00 1.32 C ATOM 242 CG2 ILE A 18 -1.552 -16.099 -0.390 1.00 1.41 C ATOM 243 CD1 ILE A 18 -3.163 -15.783 -2.763 1.00 1.55 C ATOM 0 H ILE A 18 0.639 -17.059 -3.469 1.00 1.43 H new ATOM 0 HA ILE A 18 -0.814 -14.639 -2.781 1.00 1.26 H new ATOM 0 HB ILE A 18 -0.336 -17.405 -1.598 1.00 1.26 H new ATOM 0 HG12 ILE A 18 -1.750 -17.133 -3.683 1.00 1.32 H new ATOM 0 HG13 ILE A 18 -2.622 -17.830 -2.333 1.00 1.32 H new ATOM 0 HG21 ILE A 18 -2.137 -16.912 0.041 1.00 1.41 H new ATOM 0 HG22 ILE A 18 -0.733 -15.845 0.283 1.00 1.41 H new ATOM 0 HG23 ILE A 18 -2.191 -15.227 -0.530 1.00 1.41 H new ATOM 0 HD11 ILE A 18 -3.974 -16.067 -3.434 1.00 1.55 H new ATOM 0 HD12 ILE A 18 -3.565 -15.590 -1.769 1.00 1.55 H new ATOM 0 HD13 ILE A 18 -2.679 -14.882 -3.140 1.00 1.55 H new ATOM 255 N VAL A 19 1.796 -15.345 -0.933 1.00 1.56 N ATOM 256 CA VAL A 19 2.714 -14.693 0.049 1.00 1.78 C ATOM 257 C VAL A 19 3.349 -13.466 -0.614 1.00 1.79 C ATOM 258 O VAL A 19 3.463 -12.417 -0.011 1.00 1.77 O ATOM 259 CB VAL A 19 3.769 -15.751 0.398 1.00 2.16 C ATOM 260 CG1 VAL A 19 4.896 -15.107 1.209 1.00 2.45 C ATOM 261 CG2 VAL A 19 3.125 -16.857 1.237 1.00 2.27 C ATOM 0 H VAL A 19 2.077 -16.275 -1.243 1.00 1.56 H new ATOM 0 HA VAL A 19 2.204 -14.353 0.951 1.00 1.78 H new ATOM 0 HB VAL A 19 4.172 -16.171 -0.524 1.00 2.16 H new ATOM 0 HG11 VAL A 19 5.644 -15.861 1.455 1.00 2.45 H new ATOM 0 HG12 VAL A 19 5.360 -14.314 0.622 1.00 2.45 H new ATOM 0 HG13 VAL A 19 4.488 -14.686 2.128 1.00 2.45 H new ATOM 0 HG21 VAL A 19 3.874 -17.609 1.485 1.00 2.27 H new ATOM 0 HG22 VAL A 19 2.722 -16.429 2.155 1.00 2.27 H new ATOM 0 HG23 VAL A 19 2.319 -17.322 0.669 1.00 2.27 H new ATOM 271 N ILE A 20 3.728 -13.583 -1.865 1.00 1.92 N ATOM 272 CA ILE A 20 4.319 -12.412 -2.582 1.00 2.08 C ATOM 273 C ILE A 20 3.252 -11.326 -2.730 1.00 1.84 C ATOM 274 O ILE A 20 3.472 -10.179 -2.381 1.00 1.86 O ATOM 275 CB ILE A 20 4.766 -12.949 -3.952 1.00 2.36 C ATOM 276 CG1 ILE A 20 5.944 -13.909 -3.763 1.00 2.67 C ATOM 277 CG2 ILE A 20 5.206 -11.790 -4.853 1.00 2.64 C ATOM 278 CD1 ILE A 20 6.214 -14.657 -5.071 1.00 2.94 C ATOM 0 H ILE A 20 3.653 -14.437 -2.418 1.00 1.92 H new ATOM 0 HA ILE A 20 5.160 -11.969 -2.049 1.00 2.08 H new ATOM 0 HB ILE A 20 3.930 -13.471 -4.417 1.00 2.36 H new ATOM 0 HG12 ILE A 20 6.832 -13.355 -3.460 1.00 2.67 H new ATOM 0 HG13 ILE A 20 5.723 -14.619 -2.966 1.00 2.67 H new ATOM 0 HG21 ILE A 20 5.521 -12.181 -5.821 1.00 2.64 H new ATOM 0 HG22 ILE A 20 4.373 -11.102 -4.993 1.00 2.64 H new ATOM 0 HG23 ILE A 20 6.038 -11.262 -4.387 1.00 2.64 H new ATOM 0 HD11 ILE A 20 7.053 -15.339 -4.933 1.00 2.94 H new ATOM 0 HD12 ILE A 20 5.328 -15.224 -5.355 1.00 2.94 H new ATOM 0 HD13 ILE A 20 6.454 -13.941 -5.857 1.00 2.94 H new ATOM 290 N LEU A 21 2.092 -11.685 -3.215 1.00 1.69 N ATOM 291 CA LEU A 21 0.998 -10.675 -3.357 1.00 1.65 C ATOM 292 C LEU A 21 0.633 -10.118 -1.968 1.00 1.42 C ATOM 293 O LEU A 21 0.472 -8.923 -1.803 1.00 1.47 O ATOM 294 CB LEU A 21 -0.171 -11.422 -4.044 1.00 1.71 C ATOM 295 CG LEU A 21 -1.378 -11.591 -3.110 1.00 1.57 C ATOM 296 CD1 LEU A 21 -2.164 -10.280 -3.026 1.00 1.76 C ATOM 297 CD2 LEU A 21 -2.292 -12.680 -3.669 1.00 1.72 C ATOM 0 H LEU A 21 1.854 -12.629 -3.518 1.00 1.69 H new ATOM 0 HA LEU A 21 1.281 -9.810 -3.957 1.00 1.65 H new ATOM 0 HB2 LEU A 21 -0.477 -10.874 -4.935 1.00 1.71 H new ATOM 0 HB3 LEU A 21 0.171 -12.403 -4.375 1.00 1.71 H new ATOM 0 HG LEU A 21 -1.026 -11.865 -2.116 1.00 1.57 H new ATOM 0 HD11 LEU A 21 -3.018 -10.410 -2.361 1.00 1.76 H new ATOM 0 HD12 LEU A 21 -1.518 -9.493 -2.637 1.00 1.76 H new ATOM 0 HD13 LEU A 21 -2.516 -10.003 -4.020 1.00 1.76 H new ATOM 0 HD21 LEU A 21 -3.152 -12.806 -3.011 1.00 1.72 H new ATOM 0 HD22 LEU A 21 -2.635 -12.393 -4.663 1.00 1.72 H new ATOM 0 HD23 LEU A 21 -1.742 -13.619 -3.732 1.00 1.72 H new ATOM 309 N ILE A 22 0.535 -10.961 -0.960 1.00 1.29 N ATOM 310 CA ILE A 22 0.219 -10.441 0.410 1.00 1.31 C ATOM 311 C ILE A 22 1.348 -9.510 0.866 1.00 1.36 C ATOM 312 O ILE A 22 1.115 -8.487 1.486 1.00 1.39 O ATOM 313 CB ILE A 22 0.118 -11.676 1.324 1.00 1.45 C ATOM 314 CG1 ILE A 22 -1.238 -12.372 1.121 1.00 1.53 C ATOM 315 CG2 ILE A 22 0.254 -11.258 2.796 1.00 1.74 C ATOM 316 CD1 ILE A 22 -2.383 -11.465 1.591 1.00 1.79 C ATOM 0 H ILE A 22 0.659 -11.971 -1.027 1.00 1.29 H new ATOM 0 HA ILE A 22 -0.710 -9.871 0.434 1.00 1.31 H new ATOM 0 HB ILE A 22 0.923 -12.364 1.067 1.00 1.45 H new ATOM 0 HG12 ILE A 22 -1.372 -12.621 0.068 1.00 1.53 H new ATOM 0 HG13 ILE A 22 -1.258 -13.310 1.675 1.00 1.53 H new ATOM 0 HG21 ILE A 22 0.181 -12.140 3.433 1.00 1.74 H new ATOM 0 HG22 ILE A 22 1.220 -10.778 2.950 1.00 1.74 H new ATOM 0 HG23 ILE A 22 -0.543 -10.559 3.051 1.00 1.74 H new ATOM 0 HD11 ILE A 22 -3.335 -11.973 1.440 1.00 1.79 H new ATOM 0 HD12 ILE A 22 -2.257 -11.238 2.650 1.00 1.79 H new ATOM 0 HD13 ILE A 22 -2.372 -10.538 1.018 1.00 1.79 H new ATOM 328 N ALA A 23 2.571 -9.855 0.551 1.00 1.50 N ATOM 329 CA ALA A 23 3.724 -8.994 0.954 1.00 1.71 C ATOM 330 C ALA A 23 3.699 -7.662 0.193 1.00 1.67 C ATOM 331 O ALA A 23 3.780 -6.609 0.794 1.00 1.66 O ATOM 332 CB ALA A 23 4.981 -9.798 0.603 1.00 2.05 C ATOM 0 H ALA A 23 2.821 -10.697 0.032 1.00 1.50 H new ATOM 0 HA ALA A 23 3.690 -8.746 2.015 1.00 1.71 H new ATOM 0 HB1 ALA A 23 5.867 -9.224 0.873 1.00 2.05 H new ATOM 0 HB2 ALA A 23 4.977 -10.739 1.153 1.00 2.05 H new ATOM 0 HB3 ALA A 23 4.994 -10.004 -0.467 1.00 2.05 H new ATOM 338 N ILE A 24 3.575 -7.686 -1.119 1.00 1.75 N ATOM 339 CA ILE A 24 3.534 -6.392 -1.873 1.00 1.90 C ATOM 340 C ILE A 24 2.304 -5.589 -1.434 1.00 1.69 C ATOM 341 O ILE A 24 2.362 -4.381 -1.290 1.00 1.75 O ATOM 342 CB ILE A 24 3.476 -6.760 -3.366 1.00 2.19 C ATOM 343 CG1 ILE A 24 2.179 -7.507 -3.691 1.00 2.07 C ATOM 344 CG2 ILE A 24 4.667 -7.648 -3.728 1.00 2.46 C ATOM 345 CD1 ILE A 24 1.945 -7.502 -5.204 1.00 2.36 C ATOM 0 H ILE A 24 3.502 -8.530 -1.688 1.00 1.75 H new ATOM 0 HA ILE A 24 4.407 -5.770 -1.679 1.00 1.90 H new ATOM 0 HB ILE A 24 3.510 -5.838 -3.946 1.00 2.19 H new ATOM 0 HG12 ILE A 24 2.237 -8.532 -3.326 1.00 2.07 H new ATOM 0 HG13 ILE A 24 1.339 -7.035 -3.182 1.00 2.07 H new ATOM 0 HG21 ILE A 24 4.621 -7.905 -4.786 1.00 2.46 H new ATOM 0 HG22 ILE A 24 5.595 -7.113 -3.525 1.00 2.46 H new ATOM 0 HG23 ILE A 24 4.636 -8.560 -3.131 1.00 2.46 H new ATOM 0 HD11 ILE A 24 1.021 -8.034 -5.431 1.00 2.36 H new ATOM 0 HD12 ILE A 24 1.867 -6.474 -5.557 1.00 2.36 H new ATOM 0 HD13 ILE A 24 2.780 -7.994 -5.703 1.00 2.36 H new ATOM 357 N ALA A 25 1.202 -6.257 -1.180 1.00 1.54 N ATOM 358 CA ALA A 25 -0.019 -5.536 -0.708 1.00 1.56 C ATOM 359 C ALA A 25 0.258 -4.945 0.674 1.00 1.43 C ATOM 360 O ALA A 25 -0.004 -3.782 0.929 1.00 1.53 O ATOM 361 CB ALA A 25 -1.124 -6.597 -0.640 1.00 1.60 C ATOM 0 H ALA A 25 1.098 -7.267 -1.280 1.00 1.54 H new ATOM 0 HA ALA A 25 -0.308 -4.717 -1.366 1.00 1.56 H new ATOM 0 HB1 ALA A 25 -2.051 -6.136 -0.300 1.00 1.60 H new ATOM 0 HB2 ALA A 25 -1.275 -7.029 -1.629 1.00 1.60 H new ATOM 0 HB3 ALA A 25 -0.832 -7.382 0.057 1.00 1.60 H new ATOM 367 N ALA A 26 0.819 -5.732 1.556 1.00 1.36 N ATOM 368 CA ALA A 26 1.152 -5.214 2.914 1.00 1.47 C ATOM 369 C ALA A 26 2.152 -4.061 2.777 1.00 1.44 C ATOM 370 O ALA A 26 1.999 -3.025 3.393 1.00 1.49 O ATOM 371 CB ALA A 26 1.766 -6.402 3.665 1.00 1.63 C ATOM 0 H ALA A 26 1.060 -6.710 1.393 1.00 1.36 H new ATOM 0 HA ALA A 26 0.284 -4.827 3.448 1.00 1.47 H new ATOM 0 HB1 ALA A 26 2.036 -6.094 4.675 1.00 1.63 H new ATOM 0 HB2 ALA A 26 1.041 -7.215 3.715 1.00 1.63 H new ATOM 0 HB3 ALA A 26 2.658 -6.743 3.139 1.00 1.63 H new ATOM 377 N LEU A 27 3.153 -4.218 1.942 1.00 1.49 N ATOM 378 CA LEU A 27 4.132 -3.112 1.735 1.00 1.62 C ATOM 379 C LEU A 27 3.391 -1.889 1.177 1.00 1.56 C ATOM 380 O LEU A 27 3.568 -0.780 1.646 1.00 1.58 O ATOM 381 CB LEU A 27 5.144 -3.654 0.718 1.00 1.87 C ATOM 382 CG LEU A 27 6.037 -2.517 0.220 1.00 2.13 C ATOM 383 CD1 LEU A 27 7.475 -3.016 0.080 1.00 2.52 C ATOM 384 CD2 LEU A 27 5.533 -2.035 -1.141 1.00 2.27 C ATOM 0 H LEU A 27 3.331 -5.063 1.398 1.00 1.49 H new ATOM 0 HA LEU A 27 4.629 -2.803 2.655 1.00 1.62 H new ATOM 0 HB2 LEU A 27 5.753 -4.433 1.177 1.00 1.87 H new ATOM 0 HB3 LEU A 27 4.620 -4.112 -0.121 1.00 1.87 H new ATOM 0 HG LEU A 27 6.007 -1.695 0.935 1.00 2.13 H new ATOM 0 HD11 LEU A 27 8.109 -2.204 -0.275 1.00 2.52 H new ATOM 0 HD12 LEU A 27 7.836 -3.361 1.049 1.00 2.52 H new ATOM 0 HD13 LEU A 27 7.507 -3.839 -0.634 1.00 2.52 H new ATOM 0 HD21 LEU A 27 6.168 -1.224 -1.498 1.00 2.27 H new ATOM 0 HD22 LEU A 27 5.563 -2.860 -1.853 1.00 2.27 H new ATOM 0 HD23 LEU A 27 4.508 -1.677 -1.043 1.00 2.27 H new ATOM 396 N GLY A 28 2.540 -2.096 0.193 1.00 1.60 N ATOM 397 CA GLY A 28 1.761 -0.959 -0.386 1.00 1.76 C ATOM 398 C GLY A 28 0.941 -0.301 0.724 1.00 1.66 C ATOM 399 O GLY A 28 0.934 0.907 0.863 1.00 1.74 O ATOM 0 H GLY A 28 2.355 -3.005 -0.231 1.00 1.60 H new ATOM 0 HA2 GLY A 28 2.436 -0.232 -0.837 1.00 1.76 H new ATOM 0 HA3 GLY A 28 1.103 -1.318 -1.178 1.00 1.76 H new ATOM 403 N ALA A 29 0.268 -1.088 1.529 1.00 1.60 N ATOM 404 CA ALA A 29 -0.534 -0.504 2.647 1.00 1.72 C ATOM 405 C ALA A 29 0.395 0.178 3.653 1.00 1.62 C ATOM 406 O ALA A 29 0.117 1.259 4.133 1.00 1.71 O ATOM 407 CB ALA A 29 -1.268 -1.684 3.288 1.00 1.83 C ATOM 0 H ALA A 29 0.240 -2.105 1.460 1.00 1.60 H new ATOM 0 HA ALA A 29 -1.237 0.253 2.299 1.00 1.72 H new ATOM 0 HB1 ALA A 29 -1.877 -1.326 4.118 1.00 1.83 H new ATOM 0 HB2 ALA A 29 -1.909 -2.160 2.546 1.00 1.83 H new ATOM 0 HB3 ALA A 29 -0.541 -2.408 3.657 1.00 1.83 H new ATOM 413 N LEU A 30 1.509 -0.437 3.950 1.00 1.54 N ATOM 414 CA LEU A 30 2.482 0.185 4.899 1.00 1.61 C ATOM 415 C LEU A 30 2.919 1.546 4.339 1.00 1.53 C ATOM 416 O LEU A 30 2.990 2.526 5.052 1.00 1.58 O ATOM 417 CB LEU A 30 3.660 -0.797 4.972 1.00 1.71 C ATOM 418 CG LEU A 30 3.409 -1.819 6.087 1.00 1.96 C ATOM 419 CD1 LEU A 30 4.207 -3.094 5.812 1.00 2.11 C ATOM 420 CD2 LEU A 30 3.854 -1.225 7.425 1.00 2.32 C ATOM 0 H LEU A 30 1.789 -1.344 3.577 1.00 1.54 H new ATOM 0 HA LEU A 30 2.065 0.361 5.890 1.00 1.61 H new ATOM 0 HB2 LEU A 30 3.780 -1.308 4.017 1.00 1.71 H new ATOM 0 HB3 LEU A 30 4.587 -0.256 5.163 1.00 1.71 H new ATOM 0 HG LEU A 30 2.346 -2.059 6.122 1.00 1.96 H new ATOM 0 HD11 LEU A 30 4.024 -3.816 6.608 1.00 2.11 H new ATOM 0 HD12 LEU A 30 3.896 -3.519 4.858 1.00 2.11 H new ATOM 0 HD13 LEU A 30 5.270 -2.857 5.774 1.00 2.11 H new ATOM 0 HD21 LEU A 30 3.677 -1.948 8.221 1.00 2.32 H new ATOM 0 HD22 LEU A 30 4.917 -0.986 7.381 1.00 2.32 H new ATOM 0 HD23 LEU A 30 3.286 -0.317 7.627 1.00 2.32 H new ATOM 432 N ILE A 31 3.169 1.611 3.052 1.00 1.51 N ATOM 433 CA ILE A 31 3.560 2.908 2.419 1.00 1.60 C ATOM 434 C ILE A 31 2.343 3.847 2.405 1.00 1.63 C ATOM 435 O ILE A 31 2.437 5.007 2.769 1.00 1.64 O ATOM 436 CB ILE A 31 3.998 2.537 0.993 1.00 1.81 C ATOM 437 CG1 ILE A 31 5.317 1.751 1.044 1.00 1.93 C ATOM 438 CG2 ILE A 31 4.197 3.801 0.154 1.00 2.06 C ATOM 439 CD1 ILE A 31 6.434 2.625 1.629 1.00 2.13 C ATOM 0 H ILE A 31 3.118 0.818 2.412 1.00 1.51 H new ATOM 0 HA ILE A 31 4.358 3.425 2.952 1.00 1.60 H new ATOM 0 HB ILE A 31 3.221 1.923 0.537 1.00 1.81 H new ATOM 0 HG12 ILE A 31 5.191 0.855 1.651 1.00 1.93 H new ATOM 0 HG13 ILE A 31 5.591 1.421 0.042 1.00 1.93 H new ATOM 0 HG21 ILE A 31 4.507 3.524 -0.854 1.00 2.06 H new ATOM 0 HG22 ILE A 31 3.261 4.357 0.106 1.00 2.06 H new ATOM 0 HG23 ILE A 31 4.965 4.424 0.612 1.00 2.06 H new ATOM 0 HD11 ILE A 31 7.363 2.056 1.660 1.00 2.13 H new ATOM 0 HD12 ILE A 31 6.570 3.508 1.005 1.00 2.13 H new ATOM 0 HD13 ILE A 31 6.164 2.933 2.639 1.00 2.13 H new ATOM 451 N LEU A 32 1.199 3.338 2.009 1.00 1.74 N ATOM 452 CA LEU A 32 -0.038 4.177 1.992 1.00 1.96 C ATOM 453 C LEU A 32 -0.287 4.758 3.393 1.00 1.91 C ATOM 454 O LEU A 32 -0.536 5.939 3.550 1.00 1.99 O ATOM 455 CB LEU A 32 -1.168 3.218 1.590 1.00 2.18 C ATOM 456 CG LEU A 32 -2.453 4.010 1.313 1.00 2.77 C ATOM 457 CD1 LEU A 32 -2.984 3.659 -0.076 1.00 3.24 C ATOM 458 CD2 LEU A 32 -3.511 3.651 2.357 1.00 3.18 C ATOM 0 H LEU A 32 1.071 2.375 1.697 1.00 1.74 H new ATOM 0 HA LEU A 32 0.035 5.019 1.303 1.00 1.96 H new ATOM 0 HB2 LEU A 32 -0.880 2.654 0.703 1.00 2.18 H new ATOM 0 HB3 LEU A 32 -1.342 2.493 2.385 1.00 2.18 H new ATOM 0 HG LEU A 32 -2.233 5.076 1.363 1.00 2.77 H new ATOM 0 HD11 LEU A 32 -3.896 4.223 -0.270 1.00 3.24 H new ATOM 0 HD12 LEU A 32 -2.235 3.912 -0.826 1.00 3.24 H new ATOM 0 HD13 LEU A 32 -3.200 2.592 -0.124 1.00 3.24 H new ATOM 0 HD21 LEU A 32 -4.423 4.214 2.159 1.00 3.18 H new ATOM 0 HD22 LEU A 32 -3.725 2.584 2.306 1.00 3.18 H new ATOM 0 HD23 LEU A 32 -3.140 3.899 3.351 1.00 3.18 H new ATOM 470 N GLY A 33 -0.207 3.939 4.412 1.00 1.86 N ATOM 471 CA GLY A 33 -0.424 4.438 5.803 1.00 1.99 C ATOM 472 C GLY A 33 0.729 5.357 6.211 1.00 1.83 C ATOM 473 O GLY A 33 0.515 6.399 6.800 1.00 1.93 O ATOM 0 H GLY A 33 0.000 2.943 4.339 1.00 1.86 H new ATOM 0 HA2 GLY A 33 -1.369 4.978 5.862 1.00 1.99 H new ATOM 0 HA3 GLY A 33 -0.493 3.598 6.494 1.00 1.99 H new ATOM 477 N CYS A 34 1.951 4.981 5.902 1.00 1.68 N ATOM 478 CA CYS A 34 3.118 5.843 6.272 1.00 1.65 C ATOM 479 C CYS A 34 2.946 7.249 5.682 1.00 1.59 C ATOM 480 O CYS A 34 3.042 8.235 6.391 1.00 1.61 O ATOM 481 CB CYS A 34 4.354 5.155 5.678 1.00 1.69 C ATOM 482 SG CYS A 34 5.809 5.573 6.672 1.00 2.16 S ATOM 0 H CYS A 34 2.187 4.118 5.412 1.00 1.68 H new ATOM 0 HA CYS A 34 3.209 5.957 7.352 1.00 1.65 H new ATOM 0 HB2 CYS A 34 4.210 4.075 5.661 1.00 1.69 H new ATOM 0 HB3 CYS A 34 4.501 5.474 4.646 1.00 1.69 H new ATOM 0 HG CYS A 34 6.858 4.990 6.173 1.00 2.16 H new ATOM 488 N TRP A 35 2.680 7.352 4.398 1.00 1.61 N ATOM 489 CA TRP A 35 2.497 8.707 3.783 1.00 1.67 C ATOM 490 C TRP A 35 1.925 8.616 2.357 1.00 1.90 C ATOM 491 O TRP A 35 2.505 9.117 1.411 1.00 2.09 O ATOM 492 CB TRP A 35 3.898 9.332 3.770 1.00 1.72 C ATOM 493 CG TRP A 35 3.804 10.778 4.155 1.00 1.69 C ATOM 494 CD1 TRP A 35 3.254 11.238 5.302 1.00 1.55 C ATOM 495 CD2 TRP A 35 4.263 11.954 3.424 1.00 1.88 C ATOM 496 NE1 TRP A 35 3.338 12.620 5.318 1.00 1.62 N ATOM 497 CE2 TRP A 35 3.955 13.108 4.185 1.00 1.82 C ATOM 498 CE3 TRP A 35 4.909 12.129 2.187 1.00 2.17 C ATOM 499 CZ2 TRP A 35 4.274 14.389 3.733 1.00 2.01 C ATOM 500 CZ3 TRP A 35 5.234 13.417 1.730 1.00 2.38 C ATOM 501 CH2 TRP A 35 4.919 14.545 2.502 1.00 2.29 C ATOM 0 H TRP A 35 2.583 6.565 3.757 1.00 1.61 H new ATOM 0 HA TRP A 35 1.782 9.305 4.348 1.00 1.67 H new ATOM 0 HB2 TRP A 35 4.551 8.802 4.463 1.00 1.72 H new ATOM 0 HB3 TRP A 35 4.341 9.237 2.779 1.00 1.72 H new ATOM 0 HD1 TRP A 35 2.820 10.627 6.079 1.00 1.55 H new ATOM 0 HE1 TRP A 35 2.986 13.206 6.075 1.00 1.62 H new ATOM 0 HE3 TRP A 35 5.157 11.268 1.585 1.00 2.17 H new ATOM 0 HZ2 TRP A 35 4.025 15.254 4.330 1.00 2.01 H new ATOM 0 HZ3 TRP A 35 5.730 13.540 0.778 1.00 2.38 H new ATOM 0 HH2 TRP A 35 5.174 15.532 2.146 1.00 2.29 H new ATOM 512 N CYS A 36 0.777 8.001 2.199 1.00 2.00 N ATOM 513 CA CYS A 36 0.152 7.906 0.832 1.00 2.32 C ATOM 514 C CYS A 36 -0.024 9.313 0.238 1.00 2.42 C ATOM 515 O CYS A 36 0.124 9.517 -0.950 1.00 2.69 O ATOM 516 CB CYS A 36 -1.213 7.249 1.056 1.00 2.45 C ATOM 517 SG CYS A 36 -2.009 6.931 -0.541 1.00 2.95 S ATOM 0 H CYS A 36 0.245 7.562 2.950 1.00 2.00 H new ATOM 0 HA CYS A 36 0.767 7.334 0.137 1.00 2.32 H new ATOM 0 HB2 CYS A 36 -1.092 6.315 1.605 1.00 2.45 H new ATOM 0 HB3 CYS A 36 -1.844 7.897 1.665 1.00 2.45 H new ATOM 0 HG CYS A 36 -3.166 6.372 -0.345 1.00 2.95 H new ATOM 523 N TYR A 37 -0.327 10.278 1.070 1.00 2.25 N ATOM 524 CA TYR A 37 -0.500 11.678 0.583 1.00 2.36 C ATOM 525 C TYR A 37 0.455 12.606 1.350 1.00 2.11 C ATOM 526 O TYR A 37 0.983 12.241 2.385 1.00 1.87 O ATOM 527 CB TYR A 37 -1.963 12.023 0.885 1.00 2.43 C ATOM 528 CG TYR A 37 -2.462 13.032 -0.121 1.00 2.86 C ATOM 529 CD1 TYR A 37 -2.510 12.703 -1.482 1.00 3.37 C ATOM 530 CD2 TYR A 37 -2.874 14.300 0.306 1.00 2.86 C ATOM 531 CE1 TYR A 37 -2.968 13.642 -2.414 1.00 3.83 C ATOM 532 CE2 TYR A 37 -3.334 15.239 -0.627 1.00 3.33 C ATOM 533 CZ TYR A 37 -3.379 14.909 -1.988 1.00 3.80 C ATOM 534 OH TYR A 37 -3.826 15.834 -2.912 1.00 4.30 O ATOM 0 H TYR A 37 -0.463 10.153 2.073 1.00 2.25 H new ATOM 0 HA TYR A 37 -0.275 11.791 -0.478 1.00 2.36 H new ATOM 0 HB2 TYR A 37 -2.575 11.122 0.846 1.00 2.43 H new ATOM 0 HB3 TYR A 37 -2.052 12.426 1.894 1.00 2.43 H new ATOM 0 HD1 TYR A 37 -2.194 11.725 -1.812 1.00 3.37 H new ATOM 0 HD2 TYR A 37 -2.837 14.555 1.355 1.00 2.86 H new ATOM 0 HE1 TYR A 37 -3.004 13.388 -3.463 1.00 3.83 H new ATOM 0 HE2 TYR A 37 -3.654 16.216 -0.297 1.00 3.33 H new ATOM 0 HH TYR A 37 -4.074 16.663 -2.451 1.00 4.30 H new ATOM 544 N LEU A 38 0.679 13.802 0.864 1.00 2.24 N ATOM 545 CA LEU A 38 1.605 14.741 1.584 1.00 2.07 C ATOM 546 C LEU A 38 1.012 15.213 2.930 1.00 1.75 C ATOM 547 O LEU A 38 1.618 15.998 3.636 1.00 1.66 O ATOM 548 CB LEU A 38 1.820 15.925 0.628 1.00 2.37 C ATOM 549 CG LEU A 38 0.522 16.722 0.458 1.00 2.43 C ATOM 550 CD1 LEU A 38 0.748 18.163 0.912 1.00 2.35 C ATOM 551 CD2 LEU A 38 0.113 16.722 -1.016 1.00 2.94 C ATOM 0 H LEU A 38 0.266 14.170 0.007 1.00 2.24 H new ATOM 0 HA LEU A 38 2.544 14.249 1.835 1.00 2.07 H new ATOM 0 HB2 LEU A 38 2.604 16.575 1.016 1.00 2.37 H new ATOM 0 HB3 LEU A 38 2.159 15.560 -0.342 1.00 2.37 H new ATOM 0 HG LEU A 38 -0.264 16.265 1.058 1.00 2.43 H new ATOM 0 HD11 LEU A 38 -0.174 18.731 0.792 1.00 2.35 H new ATOM 0 HD12 LEU A 38 1.045 18.172 1.961 1.00 2.35 H new ATOM 0 HD13 LEU A 38 1.534 18.616 0.308 1.00 2.35 H new ATOM 0 HD21 LEU A 38 -0.810 17.289 -1.137 1.00 2.94 H new ATOM 0 HD22 LEU A 38 0.902 17.181 -1.612 1.00 2.94 H new ATOM 0 HD23 LEU A 38 -0.044 15.696 -1.350 1.00 2.94 H new ATOM 563 N ARG A 39 -0.160 14.746 3.297 1.00 1.69 N ATOM 564 CA ARG A 39 -0.767 15.172 4.597 1.00 1.52 C ATOM 565 C ARG A 39 -0.962 13.966 5.540 1.00 1.47 C ATOM 566 O ARG A 39 -1.593 14.081 6.578 1.00 1.51 O ATOM 567 CB ARG A 39 -2.121 15.786 4.219 1.00 1.65 C ATOM 568 CG ARG A 39 -1.915 16.917 3.203 1.00 1.71 C ATOM 569 CD ARG A 39 -2.252 18.260 3.859 1.00 1.82 C ATOM 570 NE ARG A 39 -1.012 19.089 3.721 1.00 2.12 N ATOM 571 CZ ARG A 39 -0.684 19.922 4.659 1.00 2.13 C ATOM 572 NH1 ARG A 39 -1.205 21.102 4.664 1.00 2.30 N ATOM 573 NH2 ARG A 39 0.165 19.573 5.580 1.00 2.29 N ATOM 0 H ARG A 39 -0.720 14.090 2.753 1.00 1.69 H new ATOM 0 HA ARG A 39 -0.129 15.876 5.130 1.00 1.52 H new ATOM 0 HB2 ARG A 39 -2.772 15.021 3.797 1.00 1.65 H new ATOM 0 HB3 ARG A 39 -2.617 16.171 5.110 1.00 1.65 H new ATOM 0 HG2 ARG A 39 -0.883 16.921 2.851 1.00 1.71 H new ATOM 0 HG3 ARG A 39 -2.549 16.757 2.331 1.00 1.71 H new ATOM 0 HD2 ARG A 39 -3.100 18.736 3.367 1.00 1.82 H new ATOM 0 HD3 ARG A 39 -2.523 18.129 4.907 1.00 1.82 H new ATOM 0 HE ARG A 39 -0.427 18.998 2.891 1.00 2.12 H new ATOM 0 HH11 ARG A 39 -1.867 21.370 3.936 1.00 2.30 H new ATOM 0 HH12 ARG A 39 -0.955 21.767 5.396 1.00 2.30 H new ATOM 0 HH21 ARG A 39 0.577 18.640 5.567 1.00 2.29 H new ATOM 0 HH22 ARG A 39 0.419 20.232 6.315 1.00 2.29 H new ATOM 587 N LEU A 40 -0.430 12.812 5.198 1.00 1.47 N ATOM 588 CA LEU A 40 -0.601 11.618 6.091 1.00 1.48 C ATOM 589 C LEU A 40 0.341 11.703 7.301 1.00 1.38 C ATOM 590 O LEU A 40 1.350 12.385 7.267 1.00 1.33 O ATOM 591 CB LEU A 40 -0.248 10.405 5.221 1.00 1.59 C ATOM 592 CG LEU A 40 -1.521 9.630 4.852 1.00 1.82 C ATOM 593 CD1 LEU A 40 -2.184 9.082 6.117 1.00 1.93 C ATOM 594 CD2 LEU A 40 -2.500 10.559 4.129 1.00 2.05 C ATOM 0 H LEU A 40 0.109 12.647 4.348 1.00 1.47 H new ATOM 0 HA LEU A 40 -1.614 11.554 6.487 1.00 1.48 H new ATOM 0 HB2 LEU A 40 0.262 10.734 4.315 1.00 1.59 H new ATOM 0 HB3 LEU A 40 0.442 9.752 5.756 1.00 1.59 H new ATOM 0 HG LEU A 40 -1.253 8.801 4.197 1.00 1.82 H new ATOM 0 HD11 LEU A 40 -3.086 8.534 5.847 1.00 1.93 H new ATOM 0 HD12 LEU A 40 -1.493 8.413 6.630 1.00 1.93 H new ATOM 0 HD13 LEU A 40 -2.446 9.908 6.778 1.00 1.93 H new ATOM 0 HD21 LEU A 40 -3.402 10.005 3.869 1.00 2.05 H new ATOM 0 HD22 LEU A 40 -2.761 11.392 4.782 1.00 2.05 H new ATOM 0 HD23 LEU A 40 -2.035 10.942 3.221 1.00 2.05 H new ATOM 606 N GLN A 41 0.006 11.016 8.372 1.00 1.44 N ATOM 607 CA GLN A 41 0.857 11.039 9.614 1.00 1.48 C ATOM 608 C GLN A 41 0.975 12.467 10.194 1.00 1.48 C ATOM 609 O GLN A 41 1.803 12.731 11.044 1.00 1.64 O ATOM 610 CB GLN A 41 2.228 10.497 9.180 1.00 1.45 C ATOM 611 CG GLN A 41 2.729 9.475 10.211 1.00 1.69 C ATOM 612 CD GLN A 41 1.894 8.194 10.135 1.00 1.46 C ATOM 613 OE1 GLN A 41 1.303 7.782 11.108 1.00 1.73 O ATOM 614 NE2 GLN A 41 1.820 7.539 9.010 1.00 1.90 N ATOM 0 H GLN A 41 -0.829 10.434 8.441 1.00 1.44 H new ATOM 0 HA GLN A 41 0.419 10.435 10.409 1.00 1.48 H new ATOM 0 HB2 GLN A 41 2.151 10.030 8.198 1.00 1.45 H new ATOM 0 HB3 GLN A 41 2.942 11.316 9.089 1.00 1.45 H new ATOM 0 HG2 GLN A 41 3.778 9.245 10.026 1.00 1.69 H new ATOM 0 HG3 GLN A 41 2.668 9.899 11.213 1.00 1.69 H new ATOM 0 HE21 GLN A 41 2.316 7.881 8.187 1.00 1.90 H new ATOM 0 HE22 GLN A 41 1.266 6.684 8.953 1.00 1.90 H new ATOM 623 N ARG A 42 0.144 13.383 9.750 1.00 1.43 N ATOM 624 CA ARG A 42 0.193 14.779 10.275 1.00 1.47 C ATOM 625 C ARG A 42 -1.224 15.356 10.330 1.00 1.46 C ATOM 626 O ARG A 42 -1.815 15.480 11.390 1.00 1.51 O ATOM 627 CB ARG A 42 1.065 15.542 9.273 1.00 1.46 C ATOM 628 CG ARG A 42 0.911 17.058 9.477 1.00 1.53 C ATOM 629 CD ARG A 42 1.606 17.482 10.775 1.00 1.64 C ATOM 630 NE ARG A 42 0.497 17.663 11.763 1.00 1.48 N ATOM 631 CZ ARG A 42 0.573 17.122 12.940 1.00 1.44 C ATOM 632 NH1 ARG A 42 1.456 17.537 13.790 1.00 1.46 N ATOM 633 NH2 ARG A 42 -0.257 16.188 13.274 1.00 1.43 N ATOM 0 H ARG A 42 -0.570 13.217 9.041 1.00 1.43 H new ATOM 0 HA ARG A 42 0.598 14.842 11.285 1.00 1.47 H new ATOM 0 HB2 ARG A 42 2.109 15.256 9.398 1.00 1.46 H new ATOM 0 HB3 ARG A 42 0.780 15.274 8.255 1.00 1.46 H new ATOM 0 HG2 ARG A 42 1.343 17.593 8.631 1.00 1.53 H new ATOM 0 HG3 ARG A 42 -0.146 17.323 9.516 1.00 1.53 H new ATOM 0 HD2 ARG A 42 2.314 16.724 11.110 1.00 1.64 H new ATOM 0 HD3 ARG A 42 2.169 18.406 10.639 1.00 1.64 H new ATOM 0 HE ARG A 42 -0.323 18.214 11.510 1.00 1.48 H new ATOM 0 HH11 ARG A 42 2.094 18.291 13.535 1.00 1.46 H new ATOM 0 HH12 ARG A 42 1.514 17.110 14.715 1.00 1.46 H new ATOM 0 HH21 ARG A 42 -0.969 15.878 12.613 1.00 1.43 H new ATOM 0 HH22 ARG A 42 -0.199 15.761 14.199 1.00 1.43 H new ATOM 647 N ILE A 43 -1.763 15.706 9.195 1.00 1.42 N ATOM 648 CA ILE A 43 -3.122 16.270 9.127 1.00 1.45 C ATOM 649 C ILE A 43 -4.147 15.132 8.970 1.00 1.42 C ATOM 650 O ILE A 43 -5.209 15.161 9.562 1.00 1.45 O ATOM 651 CB ILE A 43 -3.038 17.158 7.882 1.00 1.48 C ATOM 652 CG1 ILE A 43 -3.077 18.624 8.312 1.00 1.59 C ATOM 653 CG2 ILE A 43 -4.167 16.836 6.914 1.00 1.52 C ATOM 654 CD1 ILE A 43 -4.504 19.178 8.228 1.00 1.49 C ATOM 0 H ILE A 43 -1.297 15.618 8.292 1.00 1.42 H new ATOM 0 HA ILE A 43 -3.439 16.822 10.012 1.00 1.45 H new ATOM 0 HB ILE A 43 -2.101 16.967 7.360 1.00 1.48 H new ATOM 0 HG12 ILE A 43 -2.705 18.718 9.332 1.00 1.59 H new ATOM 0 HG13 ILE A 43 -2.416 19.212 7.676 1.00 1.59 H new ATOM 0 HG21 ILE A 43 -4.088 17.478 6.037 1.00 1.52 H new ATOM 0 HG22 ILE A 43 -4.097 15.792 6.607 1.00 1.52 H new ATOM 0 HG23 ILE A 43 -5.126 17.006 7.404 1.00 1.52 H new ATOM 0 HD11 ILE A 43 -4.508 20.223 8.539 1.00 1.49 H new ATOM 0 HD12 ILE A 43 -4.863 19.103 7.202 1.00 1.49 H new ATOM 0 HD13 ILE A 43 -5.157 18.602 8.884 1.00 1.49 H new ATOM 666 N SER A 44 -3.816 14.131 8.174 1.00 1.41 N ATOM 667 CA SER A 44 -4.735 12.963 7.947 1.00 1.42 C ATOM 668 C SER A 44 -6.197 13.427 7.756 1.00 1.35 C ATOM 669 O SER A 44 -6.579 13.817 6.671 1.00 1.52 O ATOM 670 CB SER A 44 -4.567 12.080 9.186 1.00 1.45 C ATOM 671 OG SER A 44 -3.519 11.142 8.944 1.00 2.14 O ATOM 0 H SER A 44 -2.933 14.077 7.666 1.00 1.41 H new ATOM 0 HA SER A 44 -4.490 12.418 7.035 1.00 1.42 H new ATOM 0 HB2 SER A 44 -4.332 12.692 10.057 1.00 1.45 H new ATOM 0 HB3 SER A 44 -5.498 11.557 9.406 1.00 1.45 H new ATOM 0 HG SER A 44 -3.402 10.572 9.732 1.00 2.14 H new ATOM 677 N GLN A 45 -7.013 13.397 8.788 1.00 1.25 N ATOM 678 CA GLN A 45 -8.437 13.847 8.634 1.00 1.23 C ATOM 679 C GLN A 45 -8.758 15.024 9.584 1.00 1.00 C ATOM 680 O GLN A 45 -9.555 15.884 9.258 1.00 0.98 O ATOM 681 CB GLN A 45 -9.292 12.606 8.951 1.00 1.45 C ATOM 682 CG GLN A 45 -9.283 12.311 10.460 1.00 1.51 C ATOM 683 CD GLN A 45 -9.154 10.806 10.717 1.00 1.78 C ATOM 684 OE1 GLN A 45 -8.824 10.045 9.832 1.00 2.16 O ATOM 685 NE2 GLN A 45 -9.391 10.344 11.910 1.00 1.96 N ATOM 0 H GLN A 45 -6.756 13.083 9.724 1.00 1.25 H new ATOM 0 HA GLN A 45 -8.639 14.222 7.630 1.00 1.23 H new ATOM 0 HB2 GLN A 45 -10.316 12.767 8.613 1.00 1.45 H new ATOM 0 HB3 GLN A 45 -8.908 11.744 8.405 1.00 1.45 H new ATOM 0 HG2 GLN A 45 -8.455 12.838 10.934 1.00 1.51 H new ATOM 0 HG3 GLN A 45 -10.200 12.685 10.914 1.00 1.51 H new ATOM 0 HE21 GLN A 45 -9.669 10.980 12.657 1.00 1.96 H new ATOM 0 HE22 GLN A 45 -9.299 9.346 12.098 1.00 1.96 H new ATOM 694 N SER A 46 -8.133 15.075 10.740 1.00 0.93 N ATOM 695 CA SER A 46 -8.379 16.193 11.701 1.00 0.82 C ATOM 696 C SER A 46 -7.075 16.516 12.444 1.00 0.81 C ATOM 697 O SER A 46 -7.051 16.640 13.657 1.00 0.82 O ATOM 698 CB SER A 46 -9.443 15.688 12.688 1.00 0.94 C ATOM 699 OG SER A 46 -10.167 14.598 12.123 1.00 1.08 O ATOM 0 H SER A 46 -7.457 14.381 11.058 1.00 0.93 H new ATOM 0 HA SER A 46 -8.715 17.098 11.196 1.00 0.82 H new ATOM 0 HB2 SER A 46 -8.967 15.374 13.617 1.00 0.94 H new ATOM 0 HB3 SER A 46 -10.129 16.497 12.939 1.00 0.94 H new ATOM 0 HG SER A 46 -10.298 13.905 12.803 1.00 1.08 H new ATOM 705 N GLU A 47 -5.987 16.630 11.717 1.00 0.88 N ATOM 706 CA GLU A 47 -4.657 16.918 12.347 1.00 0.93 C ATOM 707 C GLU A 47 -4.232 15.745 13.252 1.00 0.99 C ATOM 708 O GLU A 47 -4.711 14.638 13.093 1.00 1.09 O ATOM 709 CB GLU A 47 -4.855 18.219 13.134 1.00 0.86 C ATOM 710 CG GLU A 47 -3.912 19.295 12.575 1.00 1.04 C ATOM 711 CD GLU A 47 -2.474 18.774 12.570 1.00 1.13 C ATOM 712 OE1 GLU A 47 -1.950 18.536 13.646 1.00 1.15 O ATOM 713 OE2 GLU A 47 -1.925 18.607 11.489 1.00 1.27 O ATOM 0 H GLU A 47 -5.964 16.535 10.702 1.00 0.88 H new ATOM 0 HA GLU A 47 -3.859 17.031 11.613 1.00 0.93 H new ATOM 0 HB2 GLU A 47 -5.891 18.550 13.058 1.00 0.86 H new ATOM 0 HB3 GLU A 47 -4.651 18.053 14.192 1.00 0.86 H new ATOM 0 HG2 GLU A 47 -4.214 19.565 11.563 1.00 1.04 H new ATOM 0 HG3 GLU A 47 -3.978 20.199 13.180 1.00 1.04 H new ATOM 720 N ASP A 48 -3.324 15.972 14.176 1.00 1.01 N ATOM 721 CA ASP A 48 -2.850 14.860 15.081 1.00 1.14 C ATOM 722 C ASP A 48 -4.019 13.948 15.515 1.00 1.22 C ATOM 723 O ASP A 48 -3.925 12.737 15.444 1.00 1.42 O ATOM 724 CB ASP A 48 -2.223 15.572 16.291 1.00 1.08 C ATOM 725 CG ASP A 48 -0.776 15.110 16.475 1.00 1.26 C ATOM 726 OD1 ASP A 48 -0.030 15.156 15.509 1.00 1.36 O ATOM 727 OD2 ASP A 48 -0.433 14.723 17.580 1.00 1.43 O ATOM 0 H ASP A 48 -2.888 16.878 14.346 1.00 1.01 H new ATOM 0 HA ASP A 48 -2.138 14.206 14.578 1.00 1.14 H new ATOM 0 HB2 ASP A 48 -2.253 16.652 16.144 1.00 1.08 H new ATOM 0 HB3 ASP A 48 -2.800 15.356 17.190 1.00 1.08 H new ATOM 732 N GLU A 49 -5.122 14.527 15.934 1.00 1.18 N ATOM 733 CA GLU A 49 -6.320 13.721 16.349 1.00 1.37 C ATOM 734 C GLU A 49 -5.949 12.623 17.375 1.00 1.56 C ATOM 735 O GLU A 49 -5.869 12.890 18.563 1.00 1.64 O ATOM 736 CB GLU A 49 -6.859 13.129 15.035 1.00 1.45 C ATOM 737 CG GLU A 49 -8.046 12.194 15.322 1.00 1.70 C ATOM 738 CD GLU A 49 -9.336 12.796 14.760 1.00 1.65 C ATOM 739 OE1 GLU A 49 -9.590 12.611 13.578 1.00 1.80 O ATOM 740 OE2 GLU A 49 -10.054 13.426 15.517 1.00 1.69 O ATOM 0 H GLU A 49 -5.245 15.537 16.007 1.00 1.18 H new ATOM 0 HA GLU A 49 -7.068 14.328 16.858 1.00 1.37 H new ATOM 0 HB2 GLU A 49 -7.172 13.932 14.367 1.00 1.45 H new ATOM 0 HB3 GLU A 49 -6.069 12.579 14.524 1.00 1.45 H new ATOM 0 HG2 GLU A 49 -7.866 11.217 14.874 1.00 1.70 H new ATOM 0 HG3 GLU A 49 -8.146 12.039 16.396 1.00 1.70 H new ATOM 747 N GLU A 50 -5.729 11.401 16.932 1.00 1.69 N ATOM 748 CA GLU A 50 -5.375 10.292 17.879 1.00 1.91 C ATOM 749 C GLU A 50 -3.990 10.522 18.497 1.00 2.02 C ATOM 750 O GLU A 50 -3.014 9.889 18.138 1.00 2.24 O ATOM 751 CB GLU A 50 -5.389 9.021 17.028 1.00 2.06 C ATOM 752 CG GLU A 50 -5.786 7.836 17.910 1.00 2.38 C ATOM 753 CD GLU A 50 -6.461 6.757 17.058 1.00 2.50 C ATOM 754 OE1 GLU A 50 -5.827 6.269 16.133 1.00 2.92 O ATOM 755 OE2 GLU A 50 -7.599 6.436 17.348 1.00 2.62 O ATOM 0 H GLU A 50 -5.780 11.126 15.951 1.00 1.69 H new ATOM 0 HA GLU A 50 -6.074 10.230 18.713 1.00 1.91 H new ATOM 0 HB2 GLU A 50 -6.093 9.128 16.202 1.00 2.06 H new ATOM 0 HB3 GLU A 50 -4.406 8.851 16.589 1.00 2.06 H new ATOM 0 HG2 GLU A 50 -4.904 7.425 18.401 1.00 2.38 H new ATOM 0 HG3 GLU A 50 -6.464 8.168 18.697 1.00 2.38 H new ATOM 762 N SER A 51 -3.913 11.433 19.427 1.00 1.91 N ATOM 763 CA SER A 51 -2.616 11.752 20.103 1.00 2.03 C ATOM 764 C SER A 51 -2.838 12.894 21.098 1.00 1.94 C ATOM 765 O SER A 51 -2.723 12.731 22.296 1.00 2.12 O ATOM 766 CB SER A 51 -1.665 12.178 18.975 1.00 1.98 C ATOM 767 OG SER A 51 -0.746 13.148 19.466 1.00 1.98 O ATOM 0 H SER A 51 -4.707 11.982 19.756 1.00 1.91 H new ATOM 0 HA SER A 51 -2.208 10.909 20.661 1.00 2.03 H new ATOM 0 HB2 SER A 51 -1.125 11.311 18.594 1.00 1.98 H new ATOM 0 HB3 SER A 51 -2.234 12.591 18.142 1.00 1.98 H new ATOM 0 HG SER A 51 -0.291 13.578 18.712 1.00 1.98 H new ATOM 773 N ILE A 52 -3.171 14.046 20.595 1.00 1.76 N ATOM 774 CA ILE A 52 -3.424 15.226 21.469 1.00 1.73 C ATOM 775 C ILE A 52 -4.844 15.170 22.049 1.00 1.76 C ATOM 776 O ILE A 52 -5.078 15.541 23.189 1.00 1.92 O ATOM 777 CB ILE A 52 -3.268 16.436 20.536 1.00 1.51 C ATOM 778 CG1 ILE A 52 -4.412 16.470 19.511 1.00 1.53 C ATOM 779 CG2 ILE A 52 -1.933 16.345 19.797 1.00 1.55 C ATOM 780 CD1 ILE A 52 -4.090 17.464 18.394 1.00 1.27 C ATOM 0 H ILE A 52 -3.281 14.225 19.597 1.00 1.76 H new ATOM 0 HA ILE A 52 -2.743 15.268 22.319 1.00 1.73 H new ATOM 0 HB ILE A 52 -3.298 17.346 21.135 1.00 1.51 H new ATOM 0 HG12 ILE A 52 -4.563 15.476 19.091 1.00 1.53 H new ATOM 0 HG13 ILE A 52 -5.343 16.753 20.003 1.00 1.53 H new ATOM 0 HG21 ILE A 52 -1.824 17.204 19.135 1.00 1.55 H new ATOM 0 HG22 ILE A 52 -1.117 16.338 20.520 1.00 1.55 H new ATOM 0 HG23 ILE A 52 -1.905 15.428 19.208 1.00 1.55 H new ATOM 0 HD11 ILE A 52 -4.908 17.479 17.674 1.00 1.27 H new ATOM 0 HD12 ILE A 52 -3.962 18.460 18.819 1.00 1.27 H new ATOM 0 HD13 ILE A 52 -3.170 17.162 17.892 1.00 1.27 H new ATOM 792 N VAL A 53 -5.794 14.721 21.261 1.00 1.67 N ATOM 793 CA VAL A 53 -7.210 14.652 21.733 1.00 1.75 C ATOM 794 C VAL A 53 -7.303 14.041 23.139 1.00 2.06 C ATOM 795 O VAL A 53 -8.112 14.469 23.948 1.00 2.20 O ATOM 796 CB VAL A 53 -7.952 13.795 20.695 1.00 1.66 C ATOM 797 CG1 VAL A 53 -7.559 12.320 20.826 1.00 1.85 C ATOM 798 CG2 VAL A 53 -9.458 13.934 20.913 1.00 1.74 C ATOM 0 H VAL A 53 -5.645 14.398 20.305 1.00 1.67 H new ATOM 0 HA VAL A 53 -7.652 15.645 21.816 1.00 1.75 H new ATOM 0 HB VAL A 53 -7.680 14.142 19.698 1.00 1.66 H new ATOM 0 HG11 VAL A 53 -8.096 11.733 20.081 1.00 1.85 H new ATOM 0 HG12 VAL A 53 -6.486 12.214 20.666 1.00 1.85 H new ATOM 0 HG13 VAL A 53 -7.815 11.963 21.824 1.00 1.85 H new ATOM 0 HG21 VAL A 53 -9.989 13.328 20.179 1.00 1.74 H new ATOM 0 HG22 VAL A 53 -9.713 13.595 21.917 1.00 1.74 H new ATOM 0 HG23 VAL A 53 -9.747 14.979 20.799 1.00 1.74 H new ATOM 808 N GLY A 54 -6.477 13.071 23.455 1.00 2.22 N ATOM 809 CA GLY A 54 -6.524 12.456 24.820 1.00 2.55 C ATOM 810 C GLY A 54 -7.789 11.609 24.947 1.00 2.61 C ATOM 811 O GLY A 54 -7.724 10.411 25.128 1.00 2.80 O ATOM 0 H GLY A 54 -5.774 12.680 22.828 1.00 2.22 H new ATOM 0 HA2 GLY A 54 -5.641 11.839 24.984 1.00 2.55 H new ATOM 0 HA3 GLY A 54 -6.515 13.234 25.583 1.00 2.55 H new ATOM 815 N ASP A 55 -8.936 12.227 24.838 1.00 2.50 N ATOM 816 CA ASP A 55 -10.213 11.469 24.932 1.00 2.58 C ATOM 817 C ASP A 55 -10.425 10.645 23.649 1.00 2.41 C ATOM 818 O ASP A 55 -10.794 11.164 22.603 1.00 2.22 O ATOM 819 CB ASP A 55 -11.299 12.541 25.100 1.00 2.54 C ATOM 820 CG ASP A 55 -12.618 11.878 25.495 1.00 2.70 C ATOM 821 OD1 ASP A 55 -12.699 11.361 26.597 1.00 2.91 O ATOM 822 OD2 ASP A 55 -13.531 11.891 24.688 1.00 2.67 O ATOM 0 H ASP A 55 -9.041 13.230 24.687 1.00 2.50 H new ATOM 0 HA ASP A 55 -10.227 10.761 25.761 1.00 2.58 H new ATOM 0 HB2 ASP A 55 -10.999 13.260 25.862 1.00 2.54 H new ATOM 0 HB3 ASP A 55 -11.423 13.096 24.170 1.00 2.54 H new ATOM 827 N GLY A 56 -10.191 9.366 23.734 1.00 2.55 N ATOM 828 CA GLY A 56 -10.363 8.462 22.553 1.00 2.48 C ATOM 829 C GLY A 56 -10.185 7.020 23.028 1.00 2.74 C ATOM 830 O GLY A 56 -9.607 6.195 22.349 1.00 2.82 O ATOM 0 H GLY A 56 -9.882 8.897 24.585 1.00 2.55 H new ATOM 0 HA2 GLY A 56 -11.350 8.598 22.110 1.00 2.48 H new ATOM 0 HA3 GLY A 56 -9.632 8.701 21.781 1.00 2.48 H new ATOM 834 N GLU A 57 -10.668 6.735 24.210 1.00 2.93 N ATOM 835 CA GLU A 57 -10.536 5.364 24.790 1.00 3.22 C ATOM 836 C GLU A 57 -11.631 5.111 25.845 1.00 3.34 C ATOM 837 O GLU A 57 -12.157 4.019 25.949 1.00 3.48 O ATOM 838 CB GLU A 57 -9.133 5.286 25.446 1.00 3.48 C ATOM 839 CG GLU A 57 -8.506 6.682 25.654 1.00 3.37 C ATOM 840 CD GLU A 57 -9.301 7.479 26.690 1.00 3.41 C ATOM 841 OE1 GLU A 57 -9.265 7.113 27.853 1.00 3.70 O ATOM 842 OE2 GLU A 57 -9.948 8.437 26.295 1.00 3.21 O ATOM 0 H GLU A 57 -11.155 7.404 24.806 1.00 2.93 H new ATOM 0 HA GLU A 57 -10.650 4.606 24.015 1.00 3.22 H new ATOM 0 HB2 GLU A 57 -9.211 4.778 26.407 1.00 3.48 H new ATOM 0 HB3 GLU A 57 -8.474 4.684 24.820 1.00 3.48 H new ATOM 0 HG2 GLU A 57 -7.472 6.577 25.983 1.00 3.37 H new ATOM 0 HG3 GLU A 57 -8.486 7.223 24.708 1.00 3.37 H new ATOM 849 N THR A 58 -11.970 6.106 26.630 1.00 3.33 N ATOM 850 CA THR A 58 -13.021 5.932 27.681 1.00 3.49 C ATOM 851 C THR A 58 -14.429 6.057 27.070 1.00 3.31 C ATOM 852 O THR A 58 -14.651 5.702 25.928 1.00 3.13 O ATOM 853 CB THR A 58 -12.754 7.051 28.703 1.00 3.61 C ATOM 854 OG1 THR A 58 -13.727 6.986 29.737 1.00 3.80 O ATOM 855 CG2 THR A 58 -12.837 8.424 28.028 1.00 3.37 C ATOM 0 H THR A 58 -11.560 7.039 26.586 1.00 3.33 H new ATOM 0 HA THR A 58 -12.980 4.946 28.145 1.00 3.49 H new ATOM 0 HB THR A 58 -11.754 6.916 29.116 1.00 3.61 H new ATOM 0 HG1 THR A 58 -13.558 7.697 30.390 1.00 3.80 H new ATOM 0 HG21 THR A 58 -12.646 9.204 28.765 1.00 3.37 H new ATOM 0 HG22 THR A 58 -12.093 8.485 27.234 1.00 3.37 H new ATOM 0 HG23 THR A 58 -13.832 8.562 27.604 1.00 3.37 H new ATOM 863 N LYS A 59 -15.382 6.559 27.822 1.00 3.40 N ATOM 864 CA LYS A 59 -16.777 6.711 27.288 1.00 3.27 C ATOM 865 C LYS A 59 -16.760 7.493 25.961 1.00 2.96 C ATOM 866 O LYS A 59 -16.056 8.478 25.828 1.00 2.81 O ATOM 867 CB LYS A 59 -17.544 7.472 28.395 1.00 3.46 C ATOM 868 CG LYS A 59 -17.541 8.993 28.142 1.00 3.34 C ATOM 869 CD LYS A 59 -16.173 9.583 28.516 1.00 3.35 C ATOM 870 CE LYS A 59 -15.960 10.907 27.772 1.00 3.17 C ATOM 871 NZ LYS A 59 -15.158 10.553 26.564 1.00 2.90 N ATOM 0 H LYS A 59 -15.254 6.871 28.785 1.00 3.40 H new ATOM 0 HA LYS A 59 -17.250 5.755 27.065 1.00 3.27 H new ATOM 0 HB2 LYS A 59 -18.572 7.112 28.440 1.00 3.46 H new ATOM 0 HB3 LYS A 59 -17.090 7.262 29.363 1.00 3.46 H new ATOM 0 HG2 LYS A 59 -17.760 9.196 27.094 1.00 3.34 H new ATOM 0 HG3 LYS A 59 -18.325 9.470 28.730 1.00 3.34 H new ATOM 0 HD2 LYS A 59 -16.119 9.747 29.592 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -15.381 8.880 28.260 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -16.912 11.360 27.494 1.00 3.17 H new ATOM 0 HE3 LYS A 59 -15.434 11.629 28.396 1.00 3.17 H new ATOM 0 HZ1 LYS A 59 -15.399 11.199 25.786 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -14.145 10.638 26.783 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -15.370 9.575 26.281 1.00 2.90 H new ATOM 885 N GLU A 60 -17.521 7.066 24.983 1.00 2.88 N ATOM 886 CA GLU A 60 -17.535 7.797 23.674 1.00 2.59 C ATOM 887 C GLU A 60 -18.941 7.785 23.051 1.00 2.85 C ATOM 888 O GLU A 60 -19.617 6.772 23.064 1.00 3.15 O ATOM 889 CB GLU A 60 -16.549 7.041 22.775 1.00 2.52 C ATOM 890 CG GLU A 60 -15.121 7.555 23.016 1.00 2.20 C ATOM 891 CD GLU A 60 -14.997 9.017 22.572 1.00 1.99 C ATOM 892 OE1 GLU A 60 -15.378 9.887 23.340 1.00 1.87 O ATOM 893 OE2 GLU A 60 -14.503 9.251 21.477 1.00 2.21 O ATOM 0 H GLU A 60 -18.130 6.249 25.032 1.00 2.88 H new ATOM 0 HA GLU A 60 -17.258 8.844 23.799 1.00 2.59 H new ATOM 0 HB2 GLU A 60 -16.600 5.972 22.983 1.00 2.52 H new ATOM 0 HB3 GLU A 60 -16.821 7.175 21.728 1.00 2.52 H new ATOM 0 HG2 GLU A 60 -14.869 7.467 24.073 1.00 2.20 H new ATOM 0 HG3 GLU A 60 -14.409 6.940 22.466 1.00 2.20 H new ATOM 900 N PRO A 61 -19.330 8.920 22.518 1.00 2.76 N ATOM 901 CA PRO A 61 -20.660 9.045 21.868 1.00 3.02 C ATOM 902 C PRO A 61 -20.601 8.525 20.421 1.00 3.04 C ATOM 903 O PRO A 61 -19.568 8.080 19.954 1.00 2.95 O ATOM 904 CB PRO A 61 -20.915 10.551 21.885 1.00 2.98 C ATOM 905 CG PRO A 61 -19.557 11.189 21.920 1.00 2.64 C ATOM 906 CD PRO A 61 -18.580 10.181 22.477 1.00 2.48 C ATOM 0 HA PRO A 61 -21.440 8.471 22.368 1.00 3.02 H new ATOM 0 HB2 PRO A 61 -21.473 10.864 21.002 1.00 2.98 H new ATOM 0 HB3 PRO A 61 -21.506 10.839 22.754 1.00 2.98 H new ATOM 0 HG2 PRO A 61 -19.256 11.498 20.919 1.00 2.64 H new ATOM 0 HG3 PRO A 61 -19.573 12.086 22.539 1.00 2.64 H new ATOM 0 HD2 PRO A 61 -17.696 10.096 21.846 1.00 2.48 H new ATOM 0 HD3 PRO A 61 -18.236 10.470 23.470 1.00 2.48 H new ATOM 914 N PHE A 62 -21.700 8.591 19.701 1.00 3.18 N ATOM 915 CA PHE A 62 -21.703 8.114 18.276 1.00 3.21 C ATOM 916 C PHE A 62 -20.608 8.834 17.472 1.00 3.01 C ATOM 917 O PHE A 62 -20.199 9.929 17.812 1.00 2.90 O ATOM 918 CB PHE A 62 -23.082 8.485 17.718 1.00 3.41 C ATOM 919 CG PHE A 62 -24.019 7.309 17.826 1.00 3.72 C ATOM 920 CD1 PHE A 62 -24.107 6.388 16.774 1.00 3.79 C ATOM 921 CD2 PHE A 62 -24.802 7.141 18.975 1.00 4.25 C ATOM 922 CE1 PHE A 62 -24.979 5.302 16.872 1.00 4.29 C ATOM 923 CE2 PHE A 62 -25.674 6.054 19.070 1.00 4.72 C ATOM 924 CZ PHE A 62 -25.762 5.134 18.021 1.00 4.69 C ATOM 0 H PHE A 62 -22.592 8.953 20.037 1.00 3.18 H new ATOM 0 HA PHE A 62 -21.510 7.043 18.212 1.00 3.21 H new ATOM 0 HB2 PHE A 62 -23.488 9.335 18.267 1.00 3.41 H new ATOM 0 HB3 PHE A 62 -22.991 8.792 16.676 1.00 3.41 H new ATOM 0 HD1 PHE A 62 -23.502 6.518 15.889 1.00 3.79 H new ATOM 0 HD2 PHE A 62 -24.732 7.851 19.786 1.00 4.25 H new ATOM 0 HE1 PHE A 62 -25.050 4.591 16.062 1.00 4.29 H new ATOM 0 HE2 PHE A 62 -26.280 5.924 19.954 1.00 4.72 H new ATOM 0 HZ PHE A 62 -26.435 4.293 18.097 1.00 4.69 H new ATOM 934 N LEU A 63 -20.137 8.235 16.404 1.00 2.96 N ATOM 935 CA LEU A 63 -19.064 8.893 15.579 1.00 2.78 C ATOM 936 C LEU A 63 -19.459 10.329 15.196 1.00 2.72 C ATOM 937 O LEU A 63 -18.616 11.202 15.079 1.00 2.58 O ATOM 938 CB LEU A 63 -18.888 8.006 14.334 1.00 2.79 C ATOM 939 CG LEU A 63 -20.193 7.935 13.532 1.00 2.92 C ATOM 940 CD1 LEU A 63 -20.062 8.771 12.259 1.00 2.84 C ATOM 941 CD2 LEU A 63 -20.475 6.483 13.153 1.00 3.13 C ATOM 0 H LEU A 63 -20.445 7.323 16.066 1.00 2.96 H new ATOM 0 HA LEU A 63 -18.131 8.980 16.135 1.00 2.78 H new ATOM 0 HB2 LEU A 63 -18.091 8.405 13.707 1.00 2.79 H new ATOM 0 HB3 LEU A 63 -18.585 7.003 14.635 1.00 2.79 H new ATOM 0 HG LEU A 63 -21.011 8.324 14.139 1.00 2.92 H new ATOM 0 HD11 LEU A 63 -20.991 8.718 11.692 1.00 2.84 H new ATOM 0 HD12 LEU A 63 -19.857 9.808 12.524 1.00 2.84 H new ATOM 0 HD13 LEU A 63 -19.244 8.384 11.652 1.00 2.84 H new ATOM 0 HD21 LEU A 63 -21.402 6.429 12.583 1.00 3.13 H new ATOM 0 HD22 LEU A 63 -19.654 6.099 12.548 1.00 3.13 H new ATOM 0 HD23 LEU A 63 -20.570 5.883 14.058 1.00 3.13 H new ATOM 953 N LEU A 64 -20.733 10.587 15.034 1.00 2.85 N ATOM 954 CA LEU A 64 -21.189 11.973 14.692 1.00 2.84 C ATOM 955 C LEU A 64 -20.800 12.931 15.824 1.00 2.79 C ATOM 956 O LEU A 64 -20.064 13.877 15.618 1.00 2.66 O ATOM 957 CB LEU A 64 -22.712 11.876 14.561 1.00 3.04 C ATOM 958 CG LEU A 64 -23.150 12.445 13.209 1.00 3.18 C ATOM 959 CD1 LEU A 64 -23.859 11.360 12.404 1.00 3.50 C ATOM 960 CD2 LEU A 64 -24.116 13.608 13.434 1.00 3.42 C ATOM 0 H LEU A 64 -21.479 9.898 15.124 1.00 2.85 H new ATOM 0 HA LEU A 64 -20.735 12.351 13.776 1.00 2.84 H new ATOM 0 HB2 LEU A 64 -23.029 10.837 14.649 1.00 3.04 H new ATOM 0 HB3 LEU A 64 -23.192 12.425 15.371 1.00 3.04 H new ATOM 0 HG LEU A 64 -22.272 12.794 12.665 1.00 3.18 H new ATOM 0 HD11 LEU A 64 -24.171 11.766 11.442 1.00 3.50 H new ATOM 0 HD12 LEU A 64 -23.179 10.524 12.242 1.00 3.50 H new ATOM 0 HD13 LEU A 64 -24.735 11.014 12.952 1.00 3.50 H new ATOM 0 HD21 LEU A 64 -24.428 14.013 12.471 1.00 3.42 H new ATOM 0 HD22 LEU A 64 -24.991 13.254 13.979 1.00 3.42 H new ATOM 0 HD23 LEU A 64 -23.619 14.387 14.012 1.00 3.42 H new ATOM 972 N VAL A 65 -21.265 12.672 17.025 1.00 2.92 N ATOM 973 CA VAL A 65 -20.896 13.555 18.179 1.00 2.90 C ATOM 974 C VAL A 65 -19.404 13.415 18.452 1.00 2.70 C ATOM 975 O VAL A 65 -18.748 14.354 18.847 1.00 2.61 O ATOM 976 CB VAL A 65 -21.689 13.058 19.387 1.00 3.09 C ATOM 977 CG1 VAL A 65 -21.555 14.065 20.534 1.00 3.12 C ATOM 978 CG2 VAL A 65 -23.169 12.900 19.022 1.00 3.32 C ATOM 0 H VAL A 65 -21.881 11.892 17.255 1.00 2.92 H new ATOM 0 HA VAL A 65 -21.119 14.601 17.971 1.00 2.90 H new ATOM 0 HB VAL A 65 -21.294 12.090 19.695 1.00 3.09 H new ATOM 0 HG11 VAL A 65 -22.120 13.712 21.396 1.00 3.12 H new ATOM 0 HG12 VAL A 65 -20.505 14.169 20.806 1.00 3.12 H new ATOM 0 HG13 VAL A 65 -21.945 15.032 20.216 1.00 3.12 H new ATOM 0 HG21 VAL A 65 -23.722 12.545 19.892 1.00 3.32 H new ATOM 0 HG22 VAL A 65 -23.570 13.862 18.704 1.00 3.32 H new ATOM 0 HG23 VAL A 65 -23.269 12.180 18.210 1.00 3.32 H new ATOM 988 N GLN A 66 -18.863 12.246 18.229 1.00 2.66 N ATOM 989 CA GLN A 66 -17.405 12.042 18.452 1.00 2.48 C ATOM 990 C GLN A 66 -16.638 13.036 17.585 1.00 2.30 C ATOM 991 O GLN A 66 -15.925 13.875 18.082 1.00 2.15 O ATOM 992 CB GLN A 66 -17.121 10.596 18.034 1.00 2.52 C ATOM 993 CG GLN A 66 -15.824 10.121 18.702 1.00 2.48 C ATOM 994 CD GLN A 66 -15.524 8.672 18.302 1.00 2.52 C ATOM 995 OE1 GLN A 66 -15.956 8.209 17.265 1.00 2.79 O ATOM 996 NE2 GLN A 66 -14.796 7.928 19.083 1.00 2.47 N ATOM 0 H GLN A 66 -19.370 11.424 17.902 1.00 2.66 H new ATOM 0 HA GLN A 66 -17.101 12.204 19.486 1.00 2.48 H new ATOM 0 HB2 GLN A 66 -17.951 9.952 18.325 1.00 2.52 H new ATOM 0 HB3 GLN A 66 -17.031 10.530 16.950 1.00 2.52 H new ATOM 0 HG2 GLN A 66 -14.997 10.766 18.407 1.00 2.48 H new ATOM 0 HG3 GLN A 66 -15.916 10.196 19.786 1.00 2.48 H new ATOM 0 HE21 GLN A 66 -14.430 8.310 19.955 1.00 2.47 H new ATOM 0 HE22 GLN A 66 -14.592 6.963 18.823 1.00 2.47 H new ATOM 1005 N TYR A 67 -16.817 12.976 16.299 1.00 2.31 N ATOM 1006 CA TYR A 67 -16.123 13.953 15.406 1.00 2.14 C ATOM 1007 C TYR A 67 -16.611 15.374 15.717 1.00 2.19 C ATOM 1008 O TYR A 67 -15.853 16.325 15.667 1.00 2.10 O ATOM 1009 CB TYR A 67 -16.490 13.543 13.978 1.00 2.10 C ATOM 1010 CG TYR A 67 -15.285 13.734 13.090 1.00 1.69 C ATOM 1011 CD1 TYR A 67 -14.259 12.780 13.085 1.00 1.77 C ATOM 1012 CD2 TYR A 67 -15.185 14.872 12.281 1.00 1.55 C ATOM 1013 CE1 TYR A 67 -13.137 12.962 12.266 1.00 1.59 C ATOM 1014 CE2 TYR A 67 -14.063 15.055 11.464 1.00 1.31 C ATOM 1015 CZ TYR A 67 -13.039 14.101 11.458 1.00 1.25 C ATOM 1016 OH TYR A 67 -11.937 14.284 10.651 1.00 1.30 O ATOM 0 H TYR A 67 -17.411 12.297 15.823 1.00 2.31 H new ATOM 0 HA TYR A 67 -15.042 13.948 15.547 1.00 2.14 H new ATOM 0 HB2 TYR A 67 -16.813 12.502 13.956 1.00 2.10 H new ATOM 0 HB3 TYR A 67 -17.324 14.144 13.616 1.00 2.10 H new ATOM 0 HD1 TYR A 67 -14.333 11.904 13.713 1.00 1.77 H new ATOM 0 HD2 TYR A 67 -15.974 15.609 12.287 1.00 1.55 H new ATOM 0 HE1 TYR A 67 -12.348 12.224 12.258 1.00 1.59 H new ATOM 0 HE2 TYR A 67 -13.988 15.932 10.838 1.00 1.31 H new ATOM 0 HH TYR A 67 -11.155 14.487 11.206 1.00 1.30 H new ATOM 1026 N SER A 68 -17.869 15.516 16.052 1.00 2.37 N ATOM 1027 CA SER A 68 -18.423 16.869 16.388 1.00 2.47 C ATOM 1028 C SER A 68 -17.709 17.454 17.610 1.00 2.48 C ATOM 1029 O SER A 68 -17.395 18.623 17.641 1.00 2.49 O ATOM 1030 CB SER A 68 -19.902 16.647 16.705 1.00 2.71 C ATOM 1031 OG SER A 68 -20.692 17.298 15.720 1.00 2.44 O ATOM 0 H SER A 68 -18.541 14.751 16.108 1.00 2.37 H new ATOM 0 HA SER A 68 -18.284 17.570 15.565 1.00 2.47 H new ATOM 0 HB2 SER A 68 -20.127 15.581 16.723 1.00 2.71 H new ATOM 0 HB3 SER A 68 -20.137 17.039 17.695 1.00 2.71 H new ATOM 0 HG SER A 68 -21.642 17.158 15.917 1.00 2.44 H new ATOM 1037 N ALA A 69 -17.458 16.659 18.622 1.00 2.50 N ATOM 1038 CA ALA A 69 -16.764 17.192 19.838 1.00 2.52 C ATOM 1039 C ALA A 69 -15.238 17.093 19.687 1.00 2.28 C ATOM 1040 O ALA A 69 -14.511 18.000 20.049 1.00 2.24 O ATOM 1041 CB ALA A 69 -17.256 16.315 20.994 1.00 2.72 C ATOM 0 H ALA A 69 -17.702 15.669 18.660 1.00 2.50 H new ATOM 0 HA ALA A 69 -16.986 18.246 20.003 1.00 2.52 H new ATOM 0 HB1 ALA A 69 -16.791 16.644 21.923 1.00 2.72 H new ATOM 0 HB2 ALA A 69 -18.339 16.401 21.080 1.00 2.72 H new ATOM 0 HB3 ALA A 69 -16.988 15.276 20.802 1.00 2.72 H new ATOM 1047 N LYS A 70 -14.759 16.004 19.150 1.00 2.16 N ATOM 1048 CA LYS A 70 -13.282 15.837 18.965 1.00 1.97 C ATOM 1049 C LYS A 70 -12.765 16.846 17.939 1.00 1.66 C ATOM 1050 O LYS A 70 -11.729 17.444 18.126 1.00 1.53 O ATOM 1051 CB LYS A 70 -13.063 14.399 18.462 1.00 1.99 C ATOM 1052 CG LYS A 70 -13.719 13.386 19.412 1.00 2.39 C ATOM 1053 CD LYS A 70 -12.732 12.969 20.505 1.00 1.97 C ATOM 1054 CE LYS A 70 -13.502 12.730 21.806 1.00 1.92 C ATOM 1055 NZ LYS A 70 -13.162 11.341 22.213 1.00 1.88 N ATOM 0 H LYS A 70 -15.325 15.219 18.829 1.00 2.16 H new ATOM 0 HA LYS A 70 -12.743 16.011 19.897 1.00 1.97 H new ATOM 0 HB2 LYS A 70 -13.482 14.291 17.461 1.00 1.99 H new ATOM 0 HB3 LYS A 70 -11.995 14.194 18.385 1.00 1.99 H new ATOM 0 HG2 LYS A 70 -14.609 13.824 19.864 1.00 2.39 H new ATOM 0 HG3 LYS A 70 -14.044 12.509 18.852 1.00 2.39 H new ATOM 0 HD2 LYS A 70 -12.203 12.063 20.209 1.00 1.97 H new ATOM 0 HD3 LYS A 70 -11.980 13.745 20.649 1.00 1.97 H new ATOM 0 HE2 LYS A 70 -13.210 13.447 22.573 1.00 1.92 H new ATOM 0 HE3 LYS A 70 -14.575 12.844 21.655 1.00 1.92 H new ATOM 0 HZ1 LYS A 70 -13.529 11.160 23.169 1.00 1.88 H new ATOM 0 HZ2 LYS A 70 -13.590 10.669 21.545 1.00 1.88 H new ATOM 0 HZ3 LYS A 70 -12.129 11.221 22.210 1.00 1.88 H new ATOM 1069 N GLY A 71 -13.488 17.043 16.866 1.00 1.59 N ATOM 1070 CA GLY A 71 -13.056 18.023 15.813 1.00 1.37 C ATOM 1071 C GLY A 71 -12.580 19.327 16.468 1.00 1.44 C ATOM 1072 O GLY A 71 -11.425 19.686 16.347 1.00 1.30 O ATOM 0 H GLY A 71 -14.367 16.565 16.669 1.00 1.59 H new ATOM 0 HA2 GLY A 71 -12.253 17.594 15.214 1.00 1.37 H new ATOM 0 HA3 GLY A 71 -13.884 18.229 15.135 1.00 1.37 H new ATOM 1076 N PRO A 72 -13.480 19.991 17.158 1.00 1.70 N ATOM 1077 CA PRO A 72 -13.120 21.259 17.845 1.00 1.86 C ATOM 1078 C PRO A 72 -12.127 20.996 18.989 1.00 1.85 C ATOM 1079 O PRO A 72 -11.215 21.779 19.206 1.00 1.82 O ATOM 1080 CB PRO A 72 -14.461 21.786 18.359 1.00 2.21 C ATOM 1081 CG PRO A 72 -15.328 20.574 18.465 1.00 2.24 C ATOM 1082 CD PRO A 72 -14.889 19.638 17.371 1.00 1.92 C ATOM 0 HA PRO A 72 -12.621 21.976 17.193 1.00 1.86 H new ATOM 0 HB2 PRO A 72 -14.349 22.279 19.325 1.00 2.21 H new ATOM 0 HB3 PRO A 72 -14.887 22.519 17.674 1.00 2.21 H new ATOM 0 HG2 PRO A 72 -15.221 20.105 19.443 1.00 2.24 H new ATOM 0 HG3 PRO A 72 -16.379 20.838 18.351 1.00 2.24 H new ATOM 0 HD2 PRO A 72 -15.000 18.595 17.667 1.00 1.92 H new ATOM 0 HD3 PRO A 72 -15.478 19.777 16.465 1.00 1.92 H new ATOM 1090 N CYS A 73 -12.273 19.907 19.713 1.00 1.92 N ATOM 1091 CA CYS A 73 -11.304 19.620 20.820 1.00 1.97 C ATOM 1092 C CYS A 73 -9.913 19.347 20.235 1.00 1.66 C ATOM 1093 O CYS A 73 -8.915 19.846 20.722 1.00 1.61 O ATOM 1094 CB CYS A 73 -11.844 18.379 21.538 1.00 2.18 C ATOM 1095 SG CYS A 73 -11.671 18.597 23.327 1.00 2.59 S ATOM 0 H CYS A 73 -13.011 19.214 19.587 1.00 1.92 H new ATOM 0 HA CYS A 73 -11.207 20.460 21.507 1.00 1.97 H new ATOM 0 HB2 CYS A 73 -12.891 18.222 21.279 1.00 2.18 H new ATOM 0 HB3 CYS A 73 -11.299 17.492 21.214 1.00 2.18 H new ATOM 0 HG CYS A 73 -12.131 17.546 23.939 1.00 2.59 H new ATOM 1101 N VAL A 74 -9.853 18.574 19.184 1.00 1.49 N ATOM 1102 CA VAL A 74 -8.543 18.266 18.533 1.00 1.24 C ATOM 1103 C VAL A 74 -8.016 19.513 17.826 1.00 1.09 C ATOM 1104 O VAL A 74 -6.855 19.840 17.934 1.00 1.03 O ATOM 1105 CB VAL A 74 -8.834 17.137 17.532 1.00 1.20 C ATOM 1106 CG1 VAL A 74 -7.634 16.942 16.603 1.00 1.06 C ATOM 1107 CG2 VAL A 74 -9.088 15.836 18.295 1.00 1.42 C ATOM 0 H VAL A 74 -10.663 18.138 18.743 1.00 1.49 H new ATOM 0 HA VAL A 74 -7.781 17.962 19.251 1.00 1.24 H new ATOM 0 HB VAL A 74 -9.711 17.401 16.942 1.00 1.20 H new ATOM 0 HG11 VAL A 74 -7.848 16.140 15.896 1.00 1.06 H new ATOM 0 HG12 VAL A 74 -7.443 17.866 16.057 1.00 1.06 H new ATOM 0 HG13 VAL A 74 -6.756 16.681 17.193 1.00 1.06 H new ATOM 0 HG21 VAL A 74 -9.295 15.033 17.587 1.00 1.42 H new ATOM 0 HG22 VAL A 74 -8.207 15.582 18.884 1.00 1.42 H new ATOM 0 HG23 VAL A 74 -9.944 15.964 18.958 1.00 1.42 H new ATOM 1117 N GLU A 75 -8.867 20.215 17.127 1.00 1.15 N ATOM 1118 CA GLU A 75 -8.433 21.466 16.425 1.00 1.22 C ATOM 1119 C GLU A 75 -7.791 22.433 17.430 1.00 1.28 C ATOM 1120 O GLU A 75 -6.759 23.032 17.171 1.00 1.25 O ATOM 1121 CB GLU A 75 -9.726 22.056 15.852 1.00 1.49 C ATOM 1122 CG GLU A 75 -9.417 23.313 15.026 1.00 1.71 C ATOM 1123 CD GLU A 75 -10.194 24.510 15.585 1.00 2.31 C ATOM 1124 OE1 GLU A 75 -11.410 24.414 15.700 1.00 2.59 O ATOM 1125 OE2 GLU A 75 -9.558 25.507 15.895 1.00 2.62 O ATOM 0 H GLU A 75 -9.852 19.977 17.009 1.00 1.15 H new ATOM 0 HA GLU A 75 -7.691 21.279 15.648 1.00 1.22 H new ATOM 0 HB2 GLU A 75 -10.226 21.316 15.227 1.00 1.49 H new ATOM 0 HB3 GLU A 75 -10.411 22.304 16.663 1.00 1.49 H new ATOM 0 HG2 GLU A 75 -8.347 23.520 15.050 1.00 1.71 H new ATOM 0 HG3 GLU A 75 -9.687 23.148 13.983 1.00 1.71 H new ATOM 1132 N ARG A 76 -8.395 22.566 18.582 1.00 1.43 N ATOM 1133 CA ARG A 76 -7.839 23.473 19.635 1.00 1.53 C ATOM 1134 C ARG A 76 -6.537 22.899 20.182 1.00 1.35 C ATOM 1135 O ARG A 76 -5.535 23.580 20.281 1.00 1.31 O ATOM 1136 CB ARG A 76 -8.909 23.520 20.733 1.00 1.80 C ATOM 1137 CG ARG A 76 -9.693 24.828 20.624 1.00 2.08 C ATOM 1138 CD ARG A 76 -10.133 25.041 19.174 1.00 2.19 C ATOM 1139 NE ARG A 76 -11.381 24.243 19.038 1.00 2.32 N ATOM 1140 CZ ARG A 76 -12.519 24.831 18.842 1.00 2.61 C ATOM 1141 NH1 ARG A 76 -13.240 25.189 19.856 1.00 2.83 N ATOM 1142 NH2 ARG A 76 -12.932 25.058 17.633 1.00 2.77 N ATOM 0 H ARG A 76 -9.255 22.083 18.842 1.00 1.43 H new ATOM 0 HA ARG A 76 -7.615 24.467 19.247 1.00 1.53 H new ATOM 0 HB2 ARG A 76 -9.584 22.670 20.635 1.00 1.80 H new ATOM 0 HB3 ARG A 76 -8.442 23.444 21.715 1.00 1.80 H new ATOM 0 HG2 ARG A 76 -10.564 24.798 21.279 1.00 2.08 H new ATOM 0 HG3 ARG A 76 -9.075 25.663 20.954 1.00 2.08 H new ATOM 0 HD2 ARG A 76 -10.312 26.096 18.965 1.00 2.19 H new ATOM 0 HD3 ARG A 76 -9.369 24.703 18.474 1.00 2.19 H new ATOM 0 HE ARG A 76 -11.341 23.226 19.099 1.00 2.32 H new ATOM 0 HH11 ARG A 76 -12.912 25.008 20.805 1.00 2.83 H new ATOM 0 HH12 ARG A 76 -14.136 25.652 19.706 1.00 2.83 H new ATOM 0 HH21 ARG A 76 -12.361 24.774 16.837 1.00 2.77 H new ATOM 0 HH22 ARG A 76 -13.828 25.521 17.479 1.00 2.77 H new ATOM 1156 N LYS A 77 -6.551 21.641 20.520 1.00 1.31 N ATOM 1157 CA LYS A 77 -5.318 20.982 21.052 1.00 1.25 C ATOM 1158 C LYS A 77 -4.196 21.055 20.011 1.00 1.07 C ATOM 1159 O LYS A 77 -3.114 21.548 20.274 1.00 1.11 O ATOM 1160 CB LYS A 77 -5.726 19.527 21.291 1.00 1.37 C ATOM 1161 CG LYS A 77 -6.447 19.396 22.633 1.00 1.60 C ATOM 1162 CD LYS A 77 -6.377 17.938 23.074 1.00 1.83 C ATOM 1163 CE LYS A 77 -7.081 17.757 24.417 1.00 2.05 C ATOM 1164 NZ LYS A 77 -6.757 16.356 24.826 1.00 2.15 N ATOM 0 H LYS A 77 -7.367 21.033 20.452 1.00 1.31 H new ATOM 0 HA LYS A 77 -4.948 21.460 21.959 1.00 1.25 H new ATOM 0 HB2 LYS A 77 -6.377 19.187 20.485 1.00 1.37 H new ATOM 0 HB3 LYS A 77 -4.843 18.887 21.280 1.00 1.37 H new ATOM 0 HG2 LYS A 77 -5.982 20.041 23.378 1.00 1.60 H new ATOM 0 HG3 LYS A 77 -7.485 19.715 22.539 1.00 1.60 H new ATOM 0 HD2 LYS A 77 -6.843 17.301 22.322 1.00 1.83 H new ATOM 0 HD3 LYS A 77 -5.336 17.625 23.156 1.00 1.83 H new ATOM 0 HE2 LYS A 77 -6.723 18.478 25.152 1.00 2.05 H new ATOM 0 HE3 LYS A 77 -8.157 17.904 24.324 1.00 2.05 H new ATOM 0 HZ1 LYS A 77 -7.597 15.755 24.702 1.00 2.15 H new ATOM 0 HZ2 LYS A 77 -5.981 15.993 24.237 1.00 2.15 H new ATOM 0 HZ3 LYS A 77 -6.468 16.344 25.825 1.00 2.15 H new ATOM 1178 N ALA A 78 -4.467 20.571 18.831 1.00 0.96 N ATOM 1179 CA ALA A 78 -3.453 20.594 17.734 1.00 0.97 C ATOM 1180 C ALA A 78 -2.917 22.007 17.531 1.00 0.98 C ATOM 1181 O ALA A 78 -1.722 22.222 17.498 1.00 1.05 O ATOM 1182 CB ALA A 78 -4.202 20.113 16.487 1.00 1.02 C ATOM 0 H ALA A 78 -5.362 20.154 18.574 1.00 0.96 H new ATOM 0 HA ALA A 78 -2.592 19.964 17.958 1.00 0.97 H new ATOM 0 HB1 ALA A 78 -3.522 20.102 15.635 1.00 1.02 H new ATOM 0 HB2 ALA A 78 -4.585 19.107 16.658 1.00 1.02 H new ATOM 0 HB3 ALA A 78 -5.033 20.787 16.279 1.00 1.02 H new ATOM 1188 N LYS A 79 -3.784 22.969 17.392 1.00 1.03 N ATOM 1189 CA LYS A 79 -3.307 24.374 17.189 1.00 1.20 C ATOM 1190 C LYS A 79 -2.619 24.905 18.461 1.00 1.19 C ATOM 1191 O LYS A 79 -1.774 25.774 18.396 1.00 1.29 O ATOM 1192 CB LYS A 79 -4.564 25.179 16.818 1.00 1.41 C ATOM 1193 CG LYS A 79 -5.235 25.775 18.062 1.00 1.54 C ATOM 1194 CD LYS A 79 -5.751 27.180 17.733 1.00 2.06 C ATOM 1195 CE LYS A 79 -7.271 27.139 17.544 1.00 2.50 C ATOM 1196 NZ LYS A 79 -7.480 26.800 16.105 1.00 2.63 N ATOM 0 H LYS A 79 -4.797 22.850 17.409 1.00 1.03 H new ATOM 0 HA LYS A 79 -2.555 24.450 16.404 1.00 1.20 H new ATOM 0 HB2 LYS A 79 -4.295 25.980 16.129 1.00 1.41 H new ATOM 0 HB3 LYS A 79 -5.270 24.533 16.296 1.00 1.41 H new ATOM 0 HG2 LYS A 79 -6.059 25.139 18.385 1.00 1.54 H new ATOM 0 HG3 LYS A 79 -4.524 25.820 18.887 1.00 1.54 H new ATOM 0 HD2 LYS A 79 -5.493 27.870 18.536 1.00 2.06 H new ATOM 0 HD3 LYS A 79 -5.272 27.551 16.827 1.00 2.06 H new ATOM 0 HE2 LYS A 79 -7.728 26.393 18.194 1.00 2.50 H new ATOM 0 HE3 LYS A 79 -7.724 28.099 17.792 1.00 2.50 H new ATOM 0 HZ1 LYS A 79 -8.467 26.507 15.957 1.00 2.63 H new ATOM 0 HZ2 LYS A 79 -7.275 27.634 15.519 1.00 2.63 H new ATOM 0 HZ3 LYS A 79 -6.844 26.023 15.836 1.00 2.63 H new ATOM 1210 N LEU A 80 -2.965 24.380 19.616 1.00 1.18 N ATOM 1211 CA LEU A 80 -2.311 24.847 20.874 1.00 1.29 C ATOM 1212 C LEU A 80 -0.943 24.167 21.041 1.00 1.22 C ATOM 1213 O LEU A 80 -0.026 24.730 21.606 1.00 1.33 O ATOM 1214 CB LEU A 80 -3.259 24.443 22.010 1.00 1.45 C ATOM 1215 CG LEU A 80 -2.671 24.898 23.352 1.00 1.74 C ATOM 1216 CD1 LEU A 80 -3.547 25.997 23.950 1.00 2.21 C ATOM 1217 CD2 LEU A 80 -2.617 23.718 24.325 1.00 2.09 C ATOM 0 H LEU A 80 -3.669 23.652 19.737 1.00 1.18 H new ATOM 0 HA LEU A 80 -2.136 25.923 20.867 1.00 1.29 H new ATOM 0 HB2 LEU A 80 -4.239 24.895 21.858 1.00 1.45 H new ATOM 0 HB3 LEU A 80 -3.403 23.363 22.011 1.00 1.45 H new ATOM 0 HG LEU A 80 -1.663 25.279 23.185 1.00 1.74 H new ATOM 0 HD11 LEU A 80 -3.127 26.319 24.903 1.00 2.21 H new ATOM 0 HD12 LEU A 80 -3.585 26.845 23.266 1.00 2.21 H new ATOM 0 HD13 LEU A 80 -4.555 25.613 24.108 1.00 2.21 H new ATOM 0 HD21 LEU A 80 -2.198 24.049 25.275 1.00 2.09 H new ATOM 0 HD22 LEU A 80 -3.624 23.333 24.486 1.00 2.09 H new ATOM 0 HD23 LEU A 80 -1.990 22.930 23.907 1.00 2.09 H new ATOM 1229 N MET A 81 -0.807 22.963 20.549 1.00 1.15 N ATOM 1230 CA MET A 81 0.498 22.235 20.664 1.00 1.24 C ATOM 1231 C MET A 81 1.382 22.545 19.446 1.00 1.23 C ATOM 1232 O MET A 81 2.548 22.868 19.582 1.00 1.33 O ATOM 1233 CB MET A 81 0.127 20.746 20.705 1.00 1.36 C ATOM 1234 CG MET A 81 0.859 20.069 21.864 1.00 1.89 C ATOM 1235 SD MET A 81 0.262 18.370 22.041 1.00 1.75 S ATOM 1236 CE MET A 81 1.878 17.559 21.968 1.00 2.62 C ATOM 0 H MET A 81 -1.546 22.448 20.070 1.00 1.15 H new ATOM 0 HA MET A 81 1.062 22.532 21.549 1.00 1.24 H new ATOM 0 HB2 MET A 81 -0.950 20.632 20.825 1.00 1.36 H new ATOM 0 HB3 MET A 81 0.395 20.268 19.763 1.00 1.36 H new ATOM 0 HG2 MET A 81 1.934 20.071 21.681 1.00 1.89 H new ATOM 0 HG3 MET A 81 0.692 20.623 22.788 1.00 1.89 H new ATOM 0 HE1 MET A 81 1.748 16.481 22.060 1.00 2.62 H new ATOM 0 HE2 MET A 81 2.357 17.787 21.016 1.00 2.62 H new ATOM 0 HE3 MET A 81 2.503 17.920 22.784 1.00 2.62 H new ATOM 1246 N THR A 82 0.826 22.465 18.260 1.00 1.20 N ATOM 1247 CA THR A 82 1.621 22.775 17.027 1.00 1.32 C ATOM 1248 C THR A 82 1.648 24.299 16.802 1.00 1.30 C ATOM 1249 O THR A 82 0.937 25.035 17.459 1.00 1.25 O ATOM 1250 CB THR A 82 0.913 22.053 15.861 1.00 1.42 C ATOM 1251 OG1 THR A 82 -0.324 22.693 15.573 1.00 1.33 O ATOM 1252 CG2 THR A 82 0.660 20.585 16.227 1.00 1.48 C ATOM 0 H THR A 82 -0.144 22.198 18.092 1.00 1.20 H new ATOM 0 HA THR A 82 2.655 22.440 17.111 1.00 1.32 H new ATOM 0 HB THR A 82 1.554 22.097 14.980 1.00 1.42 H new ATOM 0 HG1 THR A 82 -0.782 22.913 16.411 1.00 1.33 H new ATOM 0 HG21 THR A 82 0.160 20.084 15.398 1.00 1.48 H new ATOM 0 HG22 THR A 82 1.611 20.091 16.429 1.00 1.48 H new ATOM 0 HG23 THR A 82 0.029 20.535 17.115 1.00 1.48 H new ATOM 1260 N PRO A 83 2.486 24.729 15.892 1.00 1.45 N ATOM 1261 CA PRO A 83 2.621 26.187 15.605 1.00 1.55 C ATOM 1262 C PRO A 83 1.452 26.752 14.765 1.00 1.66 C ATOM 1263 O PRO A 83 1.484 27.904 14.369 1.00 1.80 O ATOM 1264 CB PRO A 83 3.935 26.268 14.835 1.00 1.72 C ATOM 1265 CG PRO A 83 4.118 24.918 14.212 1.00 1.79 C ATOM 1266 CD PRO A 83 3.383 23.915 15.062 1.00 1.63 C ATOM 0 HA PRO A 83 2.605 26.783 16.518 1.00 1.55 H new ATOM 0 HB2 PRO A 83 3.897 27.049 14.075 1.00 1.72 H new ATOM 0 HB3 PRO A 83 4.765 26.509 15.499 1.00 1.72 H new ATOM 0 HG2 PRO A 83 3.731 24.912 13.193 1.00 1.79 H new ATOM 0 HG3 PRO A 83 5.177 24.665 14.152 1.00 1.79 H new ATOM 0 HD2 PRO A 83 2.825 23.208 14.449 1.00 1.63 H new ATOM 0 HD3 PRO A 83 4.071 23.332 15.674 1.00 1.63 H new ATOM 1274 N ASN A 84 0.426 25.967 14.495 1.00 1.64 N ATOM 1275 CA ASN A 84 -0.741 26.468 13.682 1.00 1.79 C ATOM 1276 C ASN A 84 -0.277 27.021 12.317 1.00 2.10 C ATOM 1277 O ASN A 84 -0.968 27.806 11.692 1.00 2.62 O ATOM 1278 CB ASN A 84 -1.382 27.578 14.536 1.00 1.81 C ATOM 1279 CG ASN A 84 -2.885 27.682 14.238 1.00 1.89 C ATOM 1280 OD1 ASN A 84 -3.692 27.733 15.143 1.00 1.77 O ATOM 1281 ND2 ASN A 84 -3.302 27.726 13.005 1.00 2.27 N ATOM 0 H ASN A 84 0.347 24.998 14.804 1.00 1.64 H new ATOM 0 HA ASN A 84 -1.446 25.668 13.457 1.00 1.79 H new ATOM 0 HB2 ASN A 84 -1.228 27.366 15.594 1.00 1.81 H new ATOM 0 HB3 ASN A 84 -0.897 28.532 14.328 1.00 1.81 H new ATOM 0 HD21 ASN A 84 -4.300 27.803 12.806 1.00 2.27 H new ATOM 0 HD22 ASN A 84 -2.631 27.684 12.238 1.00 2.27 H new ATOM 1288 N GLY A 85 0.883 26.617 11.856 1.00 1.87 N ATOM 1289 CA GLY A 85 1.395 27.112 10.533 1.00 2.16 C ATOM 1290 C GLY A 85 2.431 26.122 9.995 1.00 2.18 C ATOM 1291 O GLY A 85 2.104 25.260 9.199 1.00 2.18 O ATOM 0 H GLY A 85 1.501 25.964 12.339 1.00 1.87 H new ATOM 0 HA2 GLY A 85 0.572 27.216 9.826 1.00 2.16 H new ATOM 0 HA3 GLY A 85 1.843 28.099 10.648 1.00 2.16 H new ATOM 1295 N PRO A 86 3.650 26.258 10.467 1.00 2.26 N ATOM 1296 CA PRO A 86 4.730 25.333 10.046 1.00 2.38 C ATOM 1297 C PRO A 86 4.498 23.969 10.706 1.00 2.16 C ATOM 1298 O PRO A 86 3.498 23.771 11.372 1.00 1.92 O ATOM 1299 CB PRO A 86 6.003 25.997 10.563 1.00 2.55 C ATOM 1300 CG PRO A 86 5.550 26.838 11.710 1.00 2.42 C ATOM 1301 CD PRO A 86 4.133 27.265 11.420 1.00 2.32 C ATOM 0 HA PRO A 86 4.776 25.160 8.971 1.00 2.38 H new ATOM 0 HB2 PRO A 86 6.736 25.255 10.880 1.00 2.55 H new ATOM 0 HB3 PRO A 86 6.476 26.603 9.790 1.00 2.55 H new ATOM 0 HG2 PRO A 86 5.599 26.275 12.642 1.00 2.42 H new ATOM 0 HG3 PRO A 86 6.197 27.707 11.828 1.00 2.42 H new ATOM 0 HD2 PRO A 86 3.527 27.281 12.326 1.00 2.32 H new ATOM 0 HD3 PRO A 86 4.097 28.268 10.994 1.00 2.32 H new ATOM 1309 N GLU A 87 5.385 23.023 10.503 1.00 2.31 N ATOM 1310 CA GLU A 87 5.199 21.645 11.083 1.00 2.21 C ATOM 1311 C GLU A 87 4.001 20.987 10.385 1.00 2.12 C ATOM 1312 O GLU A 87 4.124 19.983 9.706 1.00 2.29 O ATOM 1313 CB GLU A 87 4.948 21.853 12.587 1.00 1.98 C ATOM 1314 CG GLU A 87 5.158 20.534 13.340 1.00 1.99 C ATOM 1315 CD GLU A 87 3.843 20.102 13.990 1.00 1.97 C ATOM 1316 OE1 GLU A 87 3.593 20.513 15.109 1.00 2.03 O ATOM 1317 OE2 GLU A 87 3.107 19.368 13.354 1.00 2.17 O ATOM 0 H GLU A 87 6.238 23.144 9.957 1.00 2.31 H new ATOM 0 HA GLU A 87 6.060 20.993 10.939 1.00 2.21 H new ATOM 0 HB2 GLU A 87 5.624 22.615 12.975 1.00 1.98 H new ATOM 0 HB3 GLU A 87 3.933 22.216 12.748 1.00 1.98 H new ATOM 0 HG2 GLU A 87 5.507 19.763 12.653 1.00 1.99 H new ATOM 0 HG3 GLU A 87 5.929 20.656 14.101 1.00 1.99 H new ATOM 1324 N VAL A 88 2.862 21.602 10.505 1.00 1.91 N ATOM 1325 CA VAL A 88 1.625 21.109 9.824 1.00 1.84 C ATOM 1326 C VAL A 88 1.624 21.617 8.367 1.00 2.00 C ATOM 1327 O VAL A 88 1.087 20.978 7.474 1.00 2.08 O ATOM 1328 CB VAL A 88 0.464 21.721 10.625 1.00 1.61 C ATOM 1329 CG1 VAL A 88 -0.874 21.335 9.990 1.00 1.52 C ATOM 1330 CG2 VAL A 88 0.502 21.199 12.067 1.00 1.53 C ATOM 0 H VAL A 88 2.728 22.448 11.060 1.00 1.91 H new ATOM 0 HA VAL A 88 1.552 20.022 9.791 1.00 1.84 H new ATOM 0 HB VAL A 88 0.567 22.806 10.620 1.00 1.61 H new ATOM 0 HG11 VAL A 88 -1.690 21.774 10.565 1.00 1.52 H new ATOM 0 HG12 VAL A 88 -0.911 21.706 8.966 1.00 1.52 H new ATOM 0 HG13 VAL A 88 -0.975 20.250 9.986 1.00 1.52 H new ATOM 0 HG21 VAL A 88 -0.322 21.634 12.633 1.00 1.53 H new ATOM 0 HG22 VAL A 88 0.407 20.113 12.064 1.00 1.53 H new ATOM 0 HG23 VAL A 88 1.448 21.479 12.530 1.00 1.53 H new ATOM 1340 N HIS A 89 2.240 22.763 8.133 1.00 2.13 N ATOM 1341 CA HIS A 89 2.313 23.347 6.753 1.00 2.36 C ATOM 1342 C HIS A 89 0.911 23.483 6.138 1.00 2.26 C ATOM 1343 O HIS A 89 0.633 22.961 5.073 1.00 2.33 O ATOM 1344 CB HIS A 89 3.192 22.380 5.946 1.00 2.59 C ATOM 1345 CG HIS A 89 4.613 22.448 6.444 1.00 2.78 C ATOM 1346 ND1 HIS A 89 5.124 21.532 7.348 1.00 2.79 N ATOM 1347 CD2 HIS A 89 5.643 23.312 6.166 1.00 3.04 C ATOM 1348 CE1 HIS A 89 6.410 21.860 7.577 1.00 3.00 C ATOM 1349 NE2 HIS A 89 6.776 22.938 6.881 1.00 3.15 N ATOM 0 H HIS A 89 2.699 23.321 8.853 1.00 2.13 H new ATOM 0 HA HIS A 89 2.733 24.353 6.759 1.00 2.36 H new ATOM 0 HB2 HIS A 89 2.812 21.363 6.041 1.00 2.59 H new ATOM 0 HB3 HIS A 89 3.155 22.637 4.887 1.00 2.59 H new ATOM 0 HD1 HIS A 89 4.618 20.751 7.765 1.00 2.79 H new ATOM 0 HD2 HIS A 89 5.583 24.155 5.494 1.00 3.04 H new ATOM 0 HE1 HIS A 89 7.065 21.317 8.242 1.00 3.00 H new ATOM 1357 N GLY A 90 0.030 24.190 6.805 1.00 2.15 N ATOM 1358 CA GLY A 90 -1.355 24.376 6.271 1.00 2.13 C ATOM 1359 C GLY A 90 -2.289 23.316 6.856 1.00 1.84 C ATOM 1360 O GLY A 90 -1.880 22.168 6.930 1.00 1.77 O ATOM 1361 OXT GLY A 90 -3.399 23.670 7.213 1.00 2.33 O ATOM 0 H GLY A 90 0.212 24.647 7.699 1.00 2.15 H new ATOM 0 HA2 GLY A 90 -1.720 25.372 6.522 1.00 2.13 H new ATOM 0 HA3 GLY A 90 -1.347 24.305 5.183 1.00 2.13 H new TER 1365 GLY A 90