USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 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 66 GLN : amide:sc= 0.294 K(o=0.93,f=-23!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -179:sc= 0.639 (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= 1.04 K(o=1,f=0.39) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -69:sc= 0.792 USER MOD Set 4.1: A 1 GLY N :NH3+ -129:sc= 0.773 (180deg=0) USER MOD Set 4.2: A 4 SER OG : rot 38:sc= 2.17 USER MOD Single : A 2 SER OG : rot -129:sc= 0.195! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.862 K(o=0.86,f=-6.3!) USER MOD Single : A 9 SER OG : rot -150:sc= -2.39! USER MOD Single : A 11 THR OG1 : rot -139:sc= -0.573 USER MOD Single : A 16 THR OG1 : rot 88:sc= 1.01 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.00116 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.848 K(o=0.85,f=-0.24) USER MOD Single : A 46 SER OG : rot 180:sc= 0.122 USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 1.88 (180deg=1.58) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 52:sc= -1.7! USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 139:sc= 0.83 (180deg=-0.779!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 77:sc= 0.449 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.0133! C(o=0.013!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.500 -29.958 -13.965 1.00 6.75 N ATOM 2 CA GLY A 1 12.593 -29.515 -13.041 1.00 6.63 C ATOM 3 C GLY A 1 12.062 -29.376 -11.609 1.00 5.88 C ATOM 4 O GLY A 1 10.946 -28.941 -11.389 1.00 5.35 O ATOM 0 H1 GLY A 1 11.822 -30.780 -14.515 1.00 6.75 H new ATOM 0 H2 GLY A 1 10.661 -30.220 -13.409 1.00 6.75 H new ATOM 0 H3 GLY A 1 11.257 -29.182 -14.613 1.00 6.75 H new ATOM 0 HA2 GLY A 1 13.411 -30.235 -13.064 1.00 6.63 H new ATOM 0 HA3 GLY A 1 12.999 -28.561 -13.379 1.00 6.63 H new ATOM 10 N SER A 2 12.867 -29.745 -10.639 1.00 5.97 N ATOM 11 CA SER A 2 12.451 -29.653 -9.198 1.00 5.41 C ATOM 12 C SER A 2 11.103 -30.356 -8.967 1.00 5.01 C ATOM 13 O SER A 2 10.822 -31.384 -9.561 1.00 5.32 O ATOM 14 CB SER A 2 12.351 -28.151 -8.900 1.00 5.00 C ATOM 15 OG SER A 2 11.799 -27.967 -7.597 1.00 4.56 O ATOM 0 H SER A 2 13.808 -30.111 -10.785 1.00 5.97 H new ATOM 0 HA SER A 2 13.165 -30.147 -8.539 1.00 5.41 H new ATOM 0 HB2 SER A 2 13.337 -27.690 -8.959 1.00 5.00 H new ATOM 0 HB3 SER A 2 11.725 -27.661 -9.646 1.00 5.00 H new ATOM 0 HG SER A 2 11.051 -27.335 -7.645 1.00 4.56 H new ATOM 21 N MET A 3 10.270 -29.813 -8.111 1.00 4.41 N ATOM 22 CA MET A 3 8.941 -30.443 -7.841 1.00 4.08 C ATOM 23 C MET A 3 8.033 -30.326 -9.071 1.00 4.07 C ATOM 24 O MET A 3 7.019 -29.655 -9.053 1.00 3.75 O ATOM 25 CB MET A 3 8.339 -29.682 -6.653 1.00 3.64 C ATOM 26 CG MET A 3 8.140 -28.198 -7.007 1.00 3.44 C ATOM 27 SD MET A 3 8.768 -27.163 -5.658 1.00 3.59 S ATOM 28 CE MET A 3 8.076 -25.582 -6.214 1.00 3.75 C ATOM 0 H MET A 3 10.455 -28.958 -7.587 1.00 4.41 H new ATOM 0 HA MET A 3 9.043 -31.505 -7.618 1.00 4.08 H new ATOM 0 HB2 MET A 3 7.383 -30.127 -6.376 1.00 3.64 H new ATOM 0 HB3 MET A 3 8.995 -29.770 -5.787 1.00 3.64 H new ATOM 0 HG2 MET A 3 8.662 -27.961 -7.934 1.00 3.44 H new ATOM 0 HG3 MET A 3 7.083 -27.992 -7.175 1.00 3.44 H new ATOM 0 HE1 MET A 3 8.351 -24.797 -5.510 1.00 3.75 H new ATOM 0 HE2 MET A 3 8.470 -25.339 -7.201 1.00 3.75 H new ATOM 0 HE3 MET A 3 6.990 -25.658 -6.266 1.00 3.75 H new ATOM 38 N SER A 4 8.382 -30.993 -10.135 1.00 4.64 N ATOM 39 CA SER A 4 7.528 -30.936 -11.367 1.00 4.93 C ATOM 40 C SER A 4 6.318 -31.870 -11.225 1.00 4.89 C ATOM 41 O SER A 4 5.597 -32.119 -12.173 1.00 5.18 O ATOM 42 CB SER A 4 8.436 -31.380 -12.515 1.00 5.71 C ATOM 43 OG SER A 4 9.397 -30.354 -12.779 1.00 5.78 O ATOM 0 H SER A 4 9.217 -31.574 -10.211 1.00 4.64 H new ATOM 0 HA SER A 4 7.128 -29.937 -11.541 1.00 4.93 H new ATOM 0 HB2 SER A 4 8.942 -32.310 -12.256 1.00 5.71 H new ATOM 0 HB3 SER A 4 7.843 -31.578 -13.408 1.00 5.71 H new ATOM 0 HG SER A 4 9.689 -29.954 -11.933 1.00 5.78 H new ATOM 49 N ILE A 5 6.083 -32.363 -10.037 1.00 4.61 N ATOM 50 CA ILE A 5 4.919 -33.252 -9.793 1.00 4.62 C ATOM 51 C ILE A 5 3.665 -32.399 -9.566 1.00 4.35 C ATOM 52 O ILE A 5 3.679 -31.196 -9.773 1.00 4.19 O ATOM 53 CB ILE A 5 5.279 -34.070 -8.533 1.00 4.52 C ATOM 54 CG1 ILE A 5 5.876 -33.182 -7.416 1.00 4.17 C ATOM 55 CG2 ILE A 5 6.302 -35.141 -8.913 1.00 4.91 C ATOM 56 CD1 ILE A 5 4.916 -32.039 -7.068 1.00 3.84 C ATOM 0 H ILE A 5 6.660 -32.182 -9.216 1.00 4.61 H new ATOM 0 HA ILE A 5 4.709 -33.911 -10.635 1.00 4.62 H new ATOM 0 HB ILE A 5 4.362 -34.520 -8.152 1.00 4.52 H new ATOM 0 HG12 ILE A 5 6.070 -33.785 -6.529 1.00 4.17 H new ATOM 0 HG13 ILE A 5 6.834 -32.775 -7.740 1.00 4.17 H new ATOM 0 HG21 ILE A 5 6.563 -35.724 -8.030 1.00 4.91 H new ATOM 0 HG22 ILE A 5 5.875 -35.799 -9.670 1.00 4.91 H new ATOM 0 HG23 ILE A 5 7.198 -34.664 -9.310 1.00 4.91 H new ATOM 0 HD11 ILE A 5 5.352 -31.425 -6.280 1.00 3.84 H new ATOM 0 HD12 ILE A 5 4.744 -31.426 -7.953 1.00 3.84 H new ATOM 0 HD13 ILE A 5 3.968 -32.452 -6.723 1.00 3.84 H new ATOM 68 N MET A 6 2.591 -32.999 -9.143 1.00 4.36 N ATOM 69 CA MET A 6 1.344 -32.215 -8.904 1.00 4.20 C ATOM 70 C MET A 6 1.048 -32.118 -7.413 1.00 3.89 C ATOM 71 O MET A 6 1.867 -32.488 -6.594 1.00 3.76 O ATOM 72 CB MET A 6 0.255 -32.988 -9.646 1.00 4.61 C ATOM 73 CG MET A 6 0.140 -32.448 -11.070 1.00 4.80 C ATOM 74 SD MET A 6 -1.579 -32.011 -11.412 1.00 5.28 S ATOM 75 CE MET A 6 -1.259 -31.121 -12.950 1.00 5.51 C ATOM 0 H MET A 6 2.519 -33.998 -8.951 1.00 4.36 H new ATOM 0 HA MET A 6 1.420 -31.187 -9.258 1.00 4.20 H new ATOM 0 HB2 MET A 6 0.495 -34.051 -9.665 1.00 4.61 H new ATOM 0 HB3 MET A 6 -0.698 -32.886 -9.127 1.00 4.61 H new ATOM 0 HG2 MET A 6 0.780 -31.574 -11.191 1.00 4.80 H new ATOM 0 HG3 MET A 6 0.485 -33.197 -11.783 1.00 4.80 H new ATOM 0 HE1 MET A 6 -2.199 -30.749 -13.357 1.00 5.51 H new ATOM 0 HE2 MET A 6 -0.591 -30.282 -12.753 1.00 5.51 H new ATOM 0 HE3 MET A 6 -0.793 -31.794 -13.670 1.00 5.51 H new ATOM 85 N ASP A 7 -0.101 -31.588 -7.056 1.00 3.83 N ATOM 86 CA ASP A 7 -0.471 -31.425 -5.610 1.00 3.59 C ATOM 87 C ASP A 7 0.450 -30.396 -4.915 1.00 3.19 C ATOM 88 O ASP A 7 -0.013 -29.557 -4.163 1.00 3.02 O ATOM 89 CB ASP A 7 -0.339 -32.830 -4.990 1.00 3.71 C ATOM 90 CG ASP A 7 -0.273 -32.733 -3.468 1.00 3.58 C ATOM 91 OD1 ASP A 7 0.820 -32.543 -2.956 1.00 3.51 O ATOM 92 OD2 ASP A 7 -1.312 -32.852 -2.842 1.00 3.70 O ATOM 0 H ASP A 7 -0.807 -31.257 -7.714 1.00 3.83 H new ATOM 0 HA ASP A 7 -1.483 -31.038 -5.489 1.00 3.59 H new ATOM 0 HB2 ASP A 7 -1.188 -33.447 -5.285 1.00 3.71 H new ATOM 0 HB3 ASP A 7 0.558 -33.320 -5.369 1.00 3.71 H new ATOM 97 N HIS A 8 1.740 -30.440 -5.158 1.00 3.12 N ATOM 98 CA HIS A 8 2.664 -29.462 -4.498 1.00 2.80 C ATOM 99 C HIS A 8 2.973 -28.270 -5.419 1.00 2.77 C ATOM 100 O HIS A 8 3.147 -27.155 -4.964 1.00 2.59 O ATOM 101 CB HIS A 8 3.933 -30.265 -4.196 1.00 2.87 C ATOM 102 CG HIS A 8 3.952 -30.643 -2.739 1.00 2.76 C ATOM 103 ND1 HIS A 8 2.983 -31.455 -2.167 1.00 2.89 N ATOM 104 CD2 HIS A 8 4.821 -30.328 -1.723 1.00 2.72 C ATOM 105 CE1 HIS A 8 3.292 -31.600 -0.865 1.00 2.91 C ATOM 106 NE2 HIS A 8 4.401 -30.933 -0.542 1.00 2.82 N ATOM 0 H HIS A 8 2.191 -31.108 -5.783 1.00 3.12 H new ATOM 0 HA HIS A 8 2.223 -29.033 -3.598 1.00 2.80 H new ATOM 0 HB2 HIS A 8 3.965 -31.161 -4.816 1.00 2.87 H new ATOM 0 HB3 HIS A 8 4.816 -29.676 -4.441 1.00 2.87 H new ATOM 0 HD1 HIS A 8 2.182 -31.867 -2.646 1.00 2.89 H new ATOM 0 HD2 HIS A 8 5.697 -29.705 -1.825 1.00 2.72 H new ATOM 0 HE1 HIS A 8 2.712 -32.185 -0.167 1.00 2.91 H new ATOM 114 N SER A 9 3.049 -28.492 -6.699 1.00 2.99 N ATOM 115 CA SER A 9 3.356 -27.378 -7.660 1.00 3.05 C ATOM 116 C SER A 9 2.306 -26.247 -7.593 1.00 2.96 C ATOM 117 O SER A 9 2.667 -25.095 -7.432 1.00 2.82 O ATOM 118 CB SER A 9 3.369 -28.027 -9.052 1.00 3.40 C ATOM 119 OG SER A 9 2.607 -29.233 -9.029 1.00 3.60 O ATOM 0 H SER A 9 2.911 -29.405 -7.133 1.00 2.99 H new ATOM 0 HA SER A 9 4.309 -26.908 -7.417 1.00 3.05 H new ATOM 0 HB2 SER A 9 2.955 -27.338 -9.789 1.00 3.40 H new ATOM 0 HB3 SER A 9 4.394 -28.239 -9.355 1.00 3.40 H new ATOM 0 HG SER A 9 2.976 -29.865 -9.681 1.00 3.60 H new ATOM 125 N PRO A 10 1.040 -26.592 -7.725 1.00 3.11 N ATOM 126 CA PRO A 10 -0.033 -25.559 -7.685 1.00 3.14 C ATOM 127 C PRO A 10 -0.202 -24.984 -6.275 1.00 2.85 C ATOM 128 O PRO A 10 -0.429 -23.801 -6.103 1.00 2.83 O ATOM 129 CB PRO A 10 -1.284 -26.319 -8.124 1.00 3.47 C ATOM 130 CG PRO A 10 -1.001 -27.749 -7.791 1.00 3.50 C ATOM 131 CD PRO A 10 0.486 -27.942 -7.916 1.00 3.34 C ATOM 0 HA PRO A 10 0.186 -24.702 -8.322 1.00 3.14 H new ATOM 0 HB2 PRO A 10 -2.169 -25.959 -7.600 1.00 3.47 H new ATOM 0 HB3 PRO A 10 -1.470 -26.191 -9.190 1.00 3.47 H new ATOM 0 HG2 PRO A 10 -1.337 -27.984 -6.781 1.00 3.50 H new ATOM 0 HG3 PRO A 10 -1.535 -28.416 -8.468 1.00 3.50 H new ATOM 0 HD2 PRO A 10 0.862 -28.637 -7.166 1.00 3.34 H new ATOM 0 HD3 PRO A 10 0.755 -28.349 -8.891 1.00 3.34 H new ATOM 139 N THR A 11 -0.087 -25.806 -5.270 1.00 2.70 N ATOM 140 CA THR A 11 -0.238 -25.308 -3.870 1.00 2.48 C ATOM 141 C THR A 11 0.948 -24.420 -3.495 1.00 2.17 C ATOM 142 O THR A 11 0.774 -23.265 -3.152 1.00 2.07 O ATOM 143 CB THR A 11 -0.273 -26.558 -2.989 1.00 2.51 C ATOM 144 OG1 THR A 11 0.760 -27.447 -3.390 1.00 2.53 O ATOM 145 CG2 THR A 11 -1.637 -27.243 -3.120 1.00 2.83 C ATOM 0 H THR A 11 0.105 -26.804 -5.356 1.00 2.70 H new ATOM 0 HA THR A 11 -1.139 -24.707 -3.748 1.00 2.48 H new ATOM 0 HB THR A 11 -0.118 -26.276 -1.948 1.00 2.51 H new ATOM 0 HG1 THR A 11 0.425 -28.368 -3.371 1.00 2.53 H new ATOM 0 HG21 THR A 11 -1.659 -28.133 -2.491 1.00 2.83 H new ATOM 0 HG22 THR A 11 -2.421 -26.556 -2.803 1.00 2.83 H new ATOM 0 HG23 THR A 11 -1.803 -27.528 -4.159 1.00 2.83 H new ATOM 153 N THR A 12 2.155 -24.932 -3.570 1.00 2.09 N ATOM 154 CA THR A 12 3.338 -24.087 -3.222 1.00 1.87 C ATOM 155 C THR A 12 3.384 -22.866 -4.139 1.00 1.88 C ATOM 156 O THR A 12 3.721 -21.777 -3.717 1.00 1.72 O ATOM 157 CB THR A 12 4.579 -24.963 -3.428 1.00 1.99 C ATOM 158 OG1 THR A 12 4.681 -25.336 -4.794 1.00 2.25 O ATOM 159 CG2 THR A 12 4.498 -26.218 -2.552 1.00 2.02 C ATOM 0 H THR A 12 2.369 -25.888 -3.854 1.00 2.09 H new ATOM 0 HA THR A 12 3.287 -23.728 -2.194 1.00 1.87 H new ATOM 0 HB THR A 12 5.463 -24.393 -3.142 1.00 1.99 H new ATOM 0 HG1 THR A 12 3.953 -25.952 -5.020 1.00 2.25 H new ATOM 0 HG21 THR A 12 5.386 -26.830 -2.710 1.00 2.02 H new ATOM 0 HG22 THR A 12 4.439 -25.927 -1.503 1.00 2.02 H new ATOM 0 HG23 THR A 12 3.610 -26.792 -2.819 1.00 2.02 H new ATOM 167 N GLY A 13 3.031 -23.037 -5.387 1.00 2.13 N ATOM 168 CA GLY A 13 3.032 -21.886 -6.342 1.00 2.23 C ATOM 169 C GLY A 13 1.975 -20.871 -5.910 1.00 2.15 C ATOM 170 O GLY A 13 2.282 -19.720 -5.656 1.00 2.00 O ATOM 0 H GLY A 13 2.741 -23.929 -5.788 1.00 2.13 H new ATOM 0 HA2 GLY A 13 4.016 -21.417 -6.363 1.00 2.23 H new ATOM 0 HA3 GLY A 13 2.824 -22.237 -7.353 1.00 2.23 H new ATOM 174 N VAL A 14 0.736 -21.294 -5.804 1.00 2.32 N ATOM 175 CA VAL A 14 -0.346 -20.355 -5.364 1.00 2.37 C ATOM 176 C VAL A 14 0.026 -19.747 -4.004 1.00 2.08 C ATOM 177 O VAL A 14 -0.171 -18.572 -3.768 1.00 2.06 O ATOM 178 CB VAL A 14 -1.615 -21.216 -5.264 1.00 2.66 C ATOM 179 CG1 VAL A 14 -2.667 -20.520 -4.392 1.00 2.77 C ATOM 180 CG2 VAL A 14 -2.197 -21.429 -6.665 1.00 3.03 C ATOM 0 H VAL A 14 0.428 -22.246 -6.003 1.00 2.32 H new ATOM 0 HA VAL A 14 -0.491 -19.524 -6.054 1.00 2.37 H new ATOM 0 HB VAL A 14 -1.352 -22.174 -4.814 1.00 2.66 H new ATOM 0 HG11 VAL A 14 -3.559 -21.143 -4.332 1.00 2.77 H new ATOM 0 HG12 VAL A 14 -2.265 -20.364 -3.391 1.00 2.77 H new ATOM 0 HG13 VAL A 14 -2.926 -19.557 -4.833 1.00 2.77 H new ATOM 0 HG21 VAL A 14 -3.097 -22.040 -6.596 1.00 3.03 H new ATOM 0 HG22 VAL A 14 -2.446 -20.464 -7.106 1.00 3.03 H new ATOM 0 HG23 VAL A 14 -1.462 -21.935 -7.291 1.00 3.03 H new ATOM 190 N VAL A 15 0.589 -20.530 -3.116 1.00 1.90 N ATOM 191 CA VAL A 15 0.994 -19.975 -1.785 1.00 1.70 C ATOM 192 C VAL A 15 2.144 -18.984 -1.980 1.00 1.48 C ATOM 193 O VAL A 15 2.162 -17.915 -1.403 1.00 1.44 O ATOM 194 CB VAL A 15 1.431 -21.189 -0.947 1.00 1.65 C ATOM 195 CG1 VAL A 15 2.178 -20.726 0.309 1.00 1.59 C ATOM 196 CG2 VAL A 15 0.197 -21.990 -0.520 1.00 1.92 C ATOM 0 H VAL A 15 0.785 -21.522 -3.253 1.00 1.90 H new ATOM 0 HA VAL A 15 0.188 -19.435 -1.288 1.00 1.70 H new ATOM 0 HB VAL A 15 2.090 -21.811 -1.553 1.00 1.65 H new ATOM 0 HG11 VAL A 15 2.482 -21.595 0.893 1.00 1.59 H new ATOM 0 HG12 VAL A 15 3.061 -20.158 0.018 1.00 1.59 H new ATOM 0 HG13 VAL A 15 1.523 -20.096 0.910 1.00 1.59 H new ATOM 0 HG21 VAL A 15 0.509 -22.850 0.073 1.00 1.92 H new ATOM 0 HG22 VAL A 15 -0.460 -21.356 0.076 1.00 1.92 H new ATOM 0 HG23 VAL A 15 -0.337 -22.335 -1.405 1.00 1.92 H new ATOM 206 N THR A 16 3.088 -19.330 -2.811 1.00 1.43 N ATOM 207 CA THR A 16 4.241 -18.414 -3.079 1.00 1.35 C ATOM 208 C THR A 16 3.732 -17.099 -3.664 1.00 1.41 C ATOM 209 O THR A 16 4.034 -16.030 -3.167 1.00 1.34 O ATOM 210 CB THR A 16 5.130 -19.146 -4.093 1.00 1.53 C ATOM 211 OG1 THR A 16 5.633 -20.336 -3.507 1.00 1.54 O ATOM 212 CG2 THR A 16 6.301 -18.250 -4.497 1.00 1.63 C ATOM 0 H THR A 16 3.113 -20.213 -3.321 1.00 1.43 H new ATOM 0 HA THR A 16 4.792 -18.175 -2.170 1.00 1.35 H new ATOM 0 HB THR A 16 4.540 -19.391 -4.976 1.00 1.53 H new ATOM 0 HG1 THR A 16 4.996 -21.067 -3.652 1.00 1.54 H new ATOM 0 HG21 THR A 16 6.929 -18.775 -5.217 1.00 1.63 H new ATOM 0 HG22 THR A 16 5.919 -17.334 -4.948 1.00 1.63 H new ATOM 0 HG23 THR A 16 6.891 -18.002 -3.614 1.00 1.63 H new ATOM 220 N VAL A 17 2.949 -17.170 -4.707 1.00 1.60 N ATOM 221 CA VAL A 17 2.409 -15.921 -5.315 1.00 1.73 C ATOM 222 C VAL A 17 1.486 -15.212 -4.315 1.00 1.71 C ATOM 223 O VAL A 17 1.472 -14.001 -4.245 1.00 1.72 O ATOM 224 CB VAL A 17 1.655 -16.347 -6.585 1.00 2.07 C ATOM 225 CG1 VAL A 17 2.599 -17.103 -7.523 1.00 2.20 C ATOM 226 CG2 VAL A 17 0.467 -17.246 -6.234 1.00 2.22 C ATOM 0 H VAL A 17 2.661 -18.036 -5.163 1.00 1.60 H new ATOM 0 HA VAL A 17 3.199 -15.214 -5.568 1.00 1.73 H new ATOM 0 HB VAL A 17 1.285 -15.449 -7.079 1.00 2.07 H new ATOM 0 HG11 VAL A 17 2.058 -17.402 -8.421 1.00 2.20 H new ATOM 0 HG12 VAL A 17 3.432 -16.456 -7.800 1.00 2.20 H new ATOM 0 HG13 VAL A 17 2.981 -17.990 -7.018 1.00 2.20 H new ATOM 0 HG21 VAL A 17 -0.052 -17.536 -7.147 1.00 2.22 H new ATOM 0 HG22 VAL A 17 0.825 -18.139 -5.722 1.00 2.22 H new ATOM 0 HG23 VAL A 17 -0.219 -16.705 -5.583 1.00 2.22 H new ATOM 236 N ILE A 18 0.741 -15.945 -3.514 1.00 1.77 N ATOM 237 CA ILE A 18 -0.140 -15.272 -2.507 1.00 1.89 C ATOM 238 C ILE A 18 0.731 -14.617 -1.444 1.00 1.71 C ATOM 239 O ILE A 18 0.486 -13.506 -1.049 1.00 1.81 O ATOM 240 CB ILE A 18 -1.034 -16.372 -1.912 1.00 2.06 C ATOM 241 CG1 ILE A 18 -2.222 -16.623 -2.847 1.00 2.37 C ATOM 242 CG2 ILE A 18 -1.563 -15.929 -0.542 1.00 2.21 C ATOM 243 CD1 ILE A 18 -3.100 -17.739 -2.274 1.00 2.85 C ATOM 0 H ILE A 18 0.706 -16.964 -3.515 1.00 1.77 H new ATOM 0 HA ILE A 18 -0.757 -14.489 -2.947 1.00 1.89 H new ATOM 0 HB ILE A 18 -0.449 -17.285 -1.799 1.00 2.06 H new ATOM 0 HG12 ILE A 18 -2.806 -15.710 -2.962 1.00 2.37 H new ATOM 0 HG13 ILE A 18 -1.865 -16.900 -3.839 1.00 2.37 H new ATOM 0 HG21 ILE A 18 -2.196 -16.713 -0.126 1.00 2.21 H new ATOM 0 HG22 ILE A 18 -0.724 -15.745 0.130 1.00 2.21 H new ATOM 0 HG23 ILE A 18 -2.145 -15.014 -0.655 1.00 2.21 H new ATOM 0 HD11 ILE A 18 -3.944 -17.916 -2.940 1.00 2.85 H new ATOM 0 HD12 ILE A 18 -2.513 -18.653 -2.182 1.00 2.85 H new ATOM 0 HD13 ILE A 18 -3.469 -17.444 -1.292 1.00 2.85 H new ATOM 255 N VAL A 19 1.763 -15.276 -1.006 1.00 1.52 N ATOM 256 CA VAL A 19 2.668 -14.648 0.007 1.00 1.46 C ATOM 257 C VAL A 19 3.327 -13.420 -0.629 1.00 1.40 C ATOM 258 O VAL A 19 3.422 -12.370 -0.022 1.00 1.53 O ATOM 259 CB VAL A 19 3.705 -15.724 0.359 1.00 1.36 C ATOM 260 CG1 VAL A 19 4.871 -15.099 1.130 1.00 1.46 C ATOM 261 CG2 VAL A 19 3.053 -16.798 1.232 1.00 1.49 C ATOM 0 H VAL A 19 2.023 -16.217 -1.300 1.00 1.52 H new ATOM 0 HA VAL A 19 2.147 -14.316 0.905 1.00 1.46 H new ATOM 0 HB VAL A 19 4.077 -16.169 -0.564 1.00 1.36 H new ATOM 0 HG11 VAL A 19 5.601 -15.871 1.375 1.00 1.46 H new ATOM 0 HG12 VAL A 19 5.345 -14.333 0.516 1.00 1.46 H new ATOM 0 HG13 VAL A 19 4.499 -14.647 2.049 1.00 1.46 H new ATOM 0 HG21 VAL A 19 3.790 -17.561 1.481 1.00 1.49 H new ATOM 0 HG22 VAL A 19 2.677 -16.343 2.149 1.00 1.49 H new ATOM 0 HG23 VAL A 19 2.226 -17.256 0.689 1.00 1.49 H new ATOM 271 N ILE A 20 3.752 -13.538 -1.865 1.00 1.31 N ATOM 272 CA ILE A 20 4.375 -12.370 -2.560 1.00 1.34 C ATOM 273 C ILE A 20 3.327 -11.267 -2.726 1.00 1.48 C ATOM 274 O ILE A 20 3.551 -10.127 -2.371 1.00 1.54 O ATOM 275 CB ILE A 20 4.845 -12.906 -3.921 1.00 1.40 C ATOM 276 CG1 ILE A 20 6.025 -13.858 -3.717 1.00 1.38 C ATOM 277 CG2 ILE A 20 5.294 -11.746 -4.816 1.00 1.58 C ATOM 278 CD1 ILE A 20 6.282 -14.637 -5.009 1.00 1.59 C ATOM 0 H ILE A 20 3.694 -14.392 -2.420 1.00 1.31 H new ATOM 0 HA ILE A 20 5.209 -11.941 -2.005 1.00 1.34 H new ATOM 0 HB ILE A 20 4.018 -13.434 -4.396 1.00 1.40 H new ATOM 0 HG12 ILE A 20 6.915 -13.296 -3.436 1.00 1.38 H new ATOM 0 HG13 ILE A 20 5.812 -14.548 -2.900 1.00 1.38 H new ATOM 0 HG21 ILE A 20 5.625 -12.136 -5.778 1.00 1.58 H new ATOM 0 HG22 ILE A 20 4.460 -11.061 -4.970 1.00 1.58 H new ATOM 0 HG23 ILE A 20 6.116 -11.214 -4.337 1.00 1.58 H new ATOM 0 HD11 ILE A 20 7.123 -15.315 -4.864 1.00 1.59 H new ATOM 0 HD12 ILE A 20 5.393 -15.211 -5.270 1.00 1.59 H new ATOM 0 HD13 ILE A 20 6.513 -13.940 -5.814 1.00 1.59 H new ATOM 290 N LEU A 21 2.175 -11.608 -3.240 1.00 1.61 N ATOM 291 CA LEU A 21 1.094 -10.586 -3.407 1.00 1.83 C ATOM 292 C LEU A 21 0.705 -10.043 -2.023 1.00 1.92 C ATOM 293 O LEU A 21 0.528 -8.851 -1.849 1.00 2.03 O ATOM 294 CB LEU A 21 -0.065 -11.318 -4.122 1.00 2.07 C ATOM 295 CG LEU A 21 -1.273 -11.512 -3.194 1.00 2.29 C ATOM 296 CD1 LEU A 21 -2.053 -10.201 -3.075 1.00 2.50 C ATOM 297 CD2 LEU A 21 -2.189 -12.586 -3.782 1.00 2.52 C ATOM 0 H LEU A 21 1.934 -12.549 -3.552 1.00 1.61 H new ATOM 0 HA LEU A 21 1.396 -9.722 -3.999 1.00 1.83 H new ATOM 0 HB2 LEU A 21 -0.369 -10.748 -5.000 1.00 2.07 H new ATOM 0 HB3 LEU A 21 0.281 -12.289 -4.476 1.00 2.07 H new ATOM 0 HG LEU A 21 -0.924 -11.816 -2.207 1.00 2.29 H new ATOM 0 HD11 LEU A 21 -2.909 -10.345 -2.415 1.00 2.50 H new ATOM 0 HD12 LEU A 21 -1.404 -9.428 -2.664 1.00 2.50 H new ATOM 0 HD13 LEU A 21 -2.403 -9.895 -4.061 1.00 2.50 H new ATOM 0 HD21 LEU A 21 -3.049 -12.729 -3.128 1.00 2.52 H new ATOM 0 HD22 LEU A 21 -2.531 -12.272 -4.768 1.00 2.52 H new ATOM 0 HD23 LEU A 21 -1.640 -13.524 -3.870 1.00 2.52 H new ATOM 309 N ILE A 22 0.613 -10.900 -1.032 1.00 1.93 N ATOM 310 CA ILE A 22 0.283 -10.423 0.347 1.00 2.12 C ATOM 311 C ILE A 22 1.379 -9.457 0.800 1.00 2.05 C ATOM 312 O ILE A 22 1.108 -8.398 1.331 1.00 2.25 O ATOM 313 CB ILE A 22 0.254 -11.688 1.223 1.00 2.17 C ATOM 314 CG1 ILE A 22 -1.069 -12.439 1.003 1.00 2.41 C ATOM 315 CG2 ILE A 22 0.391 -11.314 2.705 1.00 2.40 C ATOM 316 CD1 ILE A 22 -2.232 -11.700 1.681 1.00 2.82 C ATOM 0 H ILE A 22 0.752 -11.907 -1.120 1.00 1.93 H new ATOM 0 HA ILE A 22 -0.669 -9.895 0.405 1.00 2.12 H new ATOM 0 HB ILE A 22 1.090 -12.329 0.942 1.00 2.17 H new ATOM 0 HG12 ILE A 22 -1.265 -12.534 -0.065 1.00 2.41 H new ATOM 0 HG13 ILE A 22 -0.990 -13.449 1.404 1.00 2.41 H new ATOM 0 HG21 ILE A 22 0.369 -12.219 3.312 1.00 2.40 H new ATOM 0 HG22 ILE A 22 1.336 -10.794 2.863 1.00 2.40 H new ATOM 0 HG23 ILE A 22 -0.434 -10.663 2.994 1.00 2.40 H new ATOM 0 HD11 ILE A 22 -3.159 -12.248 1.513 1.00 2.82 H new ATOM 0 HD12 ILE A 22 -2.042 -11.628 2.752 1.00 2.82 H new ATOM 0 HD13 ILE A 22 -2.322 -10.699 1.260 1.00 2.82 H new ATOM 328 N ALA A 23 2.619 -9.807 0.562 1.00 1.84 N ATOM 329 CA ALA A 23 3.751 -8.905 0.950 1.00 1.88 C ATOM 330 C ALA A 23 3.678 -7.604 0.137 1.00 1.88 C ATOM 331 O ALA A 23 3.810 -6.527 0.682 1.00 2.04 O ATOM 332 CB ALA A 23 5.018 -9.689 0.616 1.00 1.75 C ATOM 0 H ALA A 23 2.898 -10.680 0.115 1.00 1.84 H new ATOM 0 HA ALA A 23 3.723 -8.624 2.003 1.00 1.88 H new ATOM 0 HB1 ALA A 23 5.893 -9.092 0.873 1.00 1.75 H new ATOM 0 HB2 ALA A 23 5.032 -10.618 1.186 1.00 1.75 H new ATOM 0 HB3 ALA A 23 5.034 -9.917 -0.450 1.00 1.75 H new ATOM 338 N ILE A 24 3.442 -7.703 -1.152 1.00 1.76 N ATOM 339 CA ILE A 24 3.323 -6.475 -1.999 1.00 1.81 C ATOM 340 C ILE A 24 2.171 -5.626 -1.460 1.00 2.00 C ATOM 341 O ILE A 24 2.319 -4.442 -1.223 1.00 2.10 O ATOM 342 CB ILE A 24 3.009 -6.982 -3.425 1.00 1.79 C ATOM 343 CG1 ILE A 24 4.255 -7.651 -4.026 1.00 1.75 C ATOM 344 CG2 ILE A 24 2.597 -5.802 -4.312 1.00 1.97 C ATOM 345 CD1 ILE A 24 5.423 -6.660 -4.067 1.00 1.77 C ATOM 0 H ILE A 24 3.327 -8.584 -1.653 1.00 1.76 H new ATOM 0 HA ILE A 24 4.226 -5.864 -1.995 1.00 1.81 H new ATOM 0 HB ILE A 24 2.195 -7.705 -3.373 1.00 1.79 H new ATOM 0 HG12 ILE A 24 4.530 -8.523 -3.433 1.00 1.75 H new ATOM 0 HG13 ILE A 24 4.035 -8.007 -5.033 1.00 1.75 H new ATOM 0 HG21 ILE A 24 2.376 -6.162 -5.317 1.00 1.97 H new ATOM 0 HG22 ILE A 24 1.710 -5.325 -3.894 1.00 1.97 H new ATOM 0 HG23 ILE A 24 3.411 -5.079 -4.357 1.00 1.97 H new ATOM 0 HD11 ILE A 24 6.299 -7.147 -4.495 1.00 1.77 H new ATOM 0 HD12 ILE A 24 5.150 -5.801 -4.680 1.00 1.77 H new ATOM 0 HD13 ILE A 24 5.652 -6.326 -3.055 1.00 1.77 H new ATOM 357 N ALA A 25 1.033 -6.234 -1.248 1.00 2.12 N ATOM 358 CA ALA A 25 -0.133 -5.482 -0.701 1.00 2.39 C ATOM 359 C ALA A 25 0.208 -4.920 0.678 1.00 2.52 C ATOM 360 O ALA A 25 -0.055 -3.771 0.966 1.00 2.68 O ATOM 361 CB ALA A 25 -1.274 -6.503 -0.618 1.00 2.54 C ATOM 0 H ALA A 25 0.861 -7.223 -1.431 1.00 2.12 H new ATOM 0 HA ALA A 25 -0.409 -4.633 -1.326 1.00 2.39 H new ATOM 0 HB1 ALA A 25 -2.167 -6.019 -0.223 1.00 2.54 H new ATOM 0 HB2 ALA A 25 -1.484 -6.896 -1.613 1.00 2.54 H new ATOM 0 HB3 ALA A 25 -0.983 -7.321 0.041 1.00 2.54 H new ATOM 367 N ALA A 26 0.813 -5.714 1.519 1.00 2.51 N ATOM 368 CA ALA A 26 1.199 -5.215 2.871 1.00 2.72 C ATOM 369 C ALA A 26 2.194 -4.059 2.718 1.00 2.70 C ATOM 370 O ALA A 26 2.073 -3.041 3.367 1.00 2.90 O ATOM 371 CB ALA A 26 1.844 -6.409 3.586 1.00 2.71 C ATOM 0 H ALA A 26 1.057 -6.686 1.329 1.00 2.51 H new ATOM 0 HA ALA A 26 0.348 -4.838 3.438 1.00 2.72 H new ATOM 0 HB1 ALA A 26 2.152 -6.110 4.588 1.00 2.71 H new ATOM 0 HB2 ALA A 26 1.124 -7.224 3.655 1.00 2.71 H new ATOM 0 HB3 ALA A 26 2.716 -6.742 3.023 1.00 2.71 H new ATOM 377 N LEU A 27 3.154 -4.200 1.836 1.00 2.49 N ATOM 378 CA LEU A 27 4.134 -3.097 1.608 1.00 2.52 C ATOM 379 C LEU A 27 3.389 -1.870 1.065 1.00 2.55 C ATOM 380 O LEU A 27 3.565 -0.765 1.545 1.00 2.73 O ATOM 381 CB LEU A 27 5.121 -3.651 0.573 1.00 2.33 C ATOM 382 CG LEU A 27 5.987 -2.517 0.023 1.00 2.39 C ATOM 383 CD1 LEU A 27 7.450 -2.951 0.008 1.00 2.54 C ATOM 384 CD2 LEU A 27 5.548 -2.178 -1.404 1.00 2.30 C ATOM 0 H LEU A 27 3.300 -5.033 1.265 1.00 2.49 H new ATOM 0 HA LEU A 27 4.650 -2.786 2.516 1.00 2.52 H new ATOM 0 HB2 LEU A 27 5.752 -4.413 1.030 1.00 2.33 H new ATOM 0 HB3 LEU A 27 4.577 -4.133 -0.240 1.00 2.33 H new ATOM 0 HG LEU A 27 5.872 -1.639 0.658 1.00 2.39 H new ATOM 0 HD11 LEU A 27 8.066 -2.142 -0.384 1.00 2.54 H new ATOM 0 HD12 LEU A 27 7.769 -3.191 1.022 1.00 2.54 H new ATOM 0 HD13 LEU A 27 7.562 -3.831 -0.625 1.00 2.54 H new ATOM 0 HD21 LEU A 27 6.167 -1.370 -1.793 1.00 2.30 H new ATOM 0 HD22 LEU A 27 5.660 -3.058 -2.038 1.00 2.30 H new ATOM 0 HD23 LEU A 27 4.504 -1.865 -1.399 1.00 2.30 H new ATOM 396 N GLY A 28 2.535 -2.068 0.085 1.00 2.44 N ATOM 397 CA GLY A 28 1.751 -0.926 -0.473 1.00 2.53 C ATOM 398 C GLY A 28 0.918 -0.307 0.651 1.00 2.78 C ATOM 399 O GLY A 28 0.874 0.900 0.809 1.00 2.90 O ATOM 0 H GLY A 28 2.350 -2.972 -0.349 1.00 2.44 H new ATOM 0 HA2 GLY A 28 2.421 -0.181 -0.901 1.00 2.53 H new ATOM 0 HA3 GLY A 28 1.102 -1.271 -1.278 1.00 2.53 H new ATOM 403 N ALA A 29 0.280 -1.130 1.452 1.00 2.91 N ATOM 404 CA ALA A 29 -0.528 -0.595 2.588 1.00 3.21 C ATOM 405 C ALA A 29 0.393 0.103 3.587 1.00 3.32 C ATOM 406 O ALA A 29 0.082 1.158 4.098 1.00 3.52 O ATOM 407 CB ALA A 29 -1.199 -1.819 3.217 1.00 3.32 C ATOM 0 H ALA A 29 0.286 -2.146 1.366 1.00 2.91 H new ATOM 0 HA ALA A 29 -1.268 0.139 2.269 1.00 3.21 H new ATOM 0 HB1 ALA A 29 -1.812 -1.504 4.062 1.00 3.32 H new ATOM 0 HB2 ALA A 29 -1.828 -2.310 2.475 1.00 3.32 H new ATOM 0 HB3 ALA A 29 -0.435 -2.515 3.563 1.00 3.32 H new ATOM 413 N LEU A 30 1.532 -0.471 3.844 1.00 3.25 N ATOM 414 CA LEU A 30 2.502 0.164 4.784 1.00 3.42 C ATOM 415 C LEU A 30 2.921 1.530 4.226 1.00 3.40 C ATOM 416 O LEU A 30 2.982 2.511 4.940 1.00 3.60 O ATOM 417 CB LEU A 30 3.699 -0.793 4.829 1.00 3.35 C ATOM 418 CG LEU A 30 3.506 -1.806 5.960 1.00 3.52 C ATOM 419 CD1 LEU A 30 4.357 -3.047 5.683 1.00 3.44 C ATOM 420 CD2 LEU A 30 3.938 -1.175 7.286 1.00 3.83 C ATOM 0 H LEU A 30 1.837 -1.358 3.443 1.00 3.25 H new ATOM 0 HA LEU A 30 2.086 0.328 5.778 1.00 3.42 H new ATOM 0 HB2 LEU A 30 3.798 -1.312 3.876 1.00 3.35 H new ATOM 0 HB3 LEU A 30 4.620 -0.232 4.984 1.00 3.35 H new ATOM 0 HG LEU A 30 2.456 -2.092 6.018 1.00 3.52 H new ATOM 0 HD11 LEU A 30 4.220 -3.769 6.488 1.00 3.44 H new ATOM 0 HD12 LEU A 30 4.050 -3.495 4.738 1.00 3.44 H new ATOM 0 HD13 LEU A 30 5.408 -2.762 5.626 1.00 3.44 H new ATOM 0 HD21 LEU A 30 3.801 -1.895 8.093 1.00 3.83 H new ATOM 0 HD22 LEU A 30 4.988 -0.890 7.228 1.00 3.83 H new ATOM 0 HD23 LEU A 30 3.332 -0.290 7.482 1.00 3.83 H new ATOM 432 N ILE A 31 3.184 1.600 2.943 1.00 3.18 N ATOM 433 CA ILE A 31 3.578 2.906 2.322 1.00 3.17 C ATOM 434 C ILE A 31 2.381 3.866 2.347 1.00 3.25 C ATOM 435 O ILE A 31 2.492 5.003 2.777 1.00 3.42 O ATOM 436 CB ILE A 31 3.985 2.556 0.882 1.00 2.93 C ATOM 437 CG1 ILE A 31 5.376 1.917 0.894 1.00 2.95 C ATOM 438 CG2 ILE A 31 4.023 3.821 0.017 1.00 2.92 C ATOM 439 CD1 ILE A 31 5.601 1.160 -0.416 1.00 2.82 C ATOM 0 H ILE A 31 3.143 0.810 2.299 1.00 3.18 H new ATOM 0 HA ILE A 31 4.392 3.401 2.852 1.00 3.17 H new ATOM 0 HB ILE A 31 3.255 1.862 0.466 1.00 2.93 H new ATOM 0 HG12 ILE A 31 6.140 2.685 1.018 1.00 2.95 H new ATOM 0 HG13 ILE A 31 5.468 1.236 1.740 1.00 2.95 H new ATOM 0 HG21 ILE A 31 4.313 3.558 -1.000 1.00 2.92 H new ATOM 0 HG22 ILE A 31 3.036 4.283 0.005 1.00 2.92 H new ATOM 0 HG23 ILE A 31 4.747 4.523 0.430 1.00 2.92 H new ATOM 0 HD11 ILE A 31 6.591 0.705 -0.408 1.00 2.82 H new ATOM 0 HD12 ILE A 31 4.845 0.382 -0.521 1.00 2.82 H new ATOM 0 HD13 ILE A 31 5.527 1.853 -1.254 1.00 2.82 H new ATOM 451 N LEU A 32 1.237 3.407 1.905 1.00 3.20 N ATOM 452 CA LEU A 32 0.015 4.271 1.908 1.00 3.35 C ATOM 453 C LEU A 32 -0.346 4.683 3.344 1.00 3.65 C ATOM 454 O LEU A 32 -0.744 5.801 3.595 1.00 3.80 O ATOM 455 CB LEU A 32 -1.087 3.396 1.301 1.00 3.34 C ATOM 456 CG LEU A 32 -2.216 4.282 0.773 1.00 3.46 C ATOM 457 CD1 LEU A 32 -2.186 4.294 -0.754 1.00 3.51 C ATOM 458 CD2 LEU A 32 -3.558 3.724 1.247 1.00 3.73 C ATOM 0 H LEU A 32 1.096 2.465 1.540 1.00 3.20 H new ATOM 0 HA LEU A 32 0.159 5.194 1.346 1.00 3.35 H new ATOM 0 HB2 LEU A 32 -0.679 2.790 0.492 1.00 3.34 H new ATOM 0 HB3 LEU A 32 -1.473 2.707 2.052 1.00 3.34 H new ATOM 0 HG LEU A 32 -2.086 5.298 1.147 1.00 3.46 H new ATOM 0 HD11 LEU A 32 -2.991 4.926 -1.129 1.00 3.51 H new ATOM 0 HD12 LEU A 32 -1.228 4.686 -1.096 1.00 3.51 H new ATOM 0 HD13 LEU A 32 -2.317 3.279 -1.128 1.00 3.51 H new ATOM 0 HD21 LEU A 32 -4.366 4.353 0.873 1.00 3.73 H new ATOM 0 HD22 LEU A 32 -3.684 2.709 0.870 1.00 3.73 H new ATOM 0 HD23 LEU A 32 -3.583 3.712 2.337 1.00 3.73 H new ATOM 470 N GLY A 33 -0.205 3.784 4.286 1.00 3.78 N ATOM 471 CA GLY A 33 -0.532 4.107 5.710 1.00 4.11 C ATOM 472 C GLY A 33 0.564 4.989 6.319 1.00 4.21 C ATOM 473 O GLY A 33 0.278 5.931 7.033 1.00 4.46 O ATOM 0 H GLY A 33 0.125 2.832 4.128 1.00 3.78 H new ATOM 0 HA2 GLY A 33 -1.492 4.620 5.763 1.00 4.11 H new ATOM 0 HA3 GLY A 33 -0.630 3.187 6.286 1.00 4.11 H new ATOM 477 N CYS A 34 1.815 4.696 6.054 1.00 4.06 N ATOM 478 CA CYS A 34 2.918 5.531 6.632 1.00 4.22 C ATOM 479 C CYS A 34 2.959 6.914 5.966 1.00 4.14 C ATOM 480 O CYS A 34 3.166 7.918 6.622 1.00 4.32 O ATOM 481 CB CYS A 34 4.211 4.762 6.344 1.00 4.10 C ATOM 482 SG CYS A 34 5.432 5.134 7.627 1.00 4.64 S ATOM 0 H CYS A 34 2.120 3.920 5.466 1.00 4.06 H new ATOM 0 HA CYS A 34 2.775 5.699 7.699 1.00 4.22 H new ATOM 0 HB2 CYS A 34 4.011 3.691 6.317 1.00 4.10 H new ATOM 0 HB3 CYS A 34 4.601 5.039 5.364 1.00 4.10 H new ATOM 0 HG CYS A 34 6.529 4.480 7.385 1.00 4.64 H new ATOM 488 N TRP A 35 2.774 6.974 4.669 1.00 3.88 N ATOM 489 CA TRP A 35 2.815 8.295 3.966 1.00 3.81 C ATOM 490 C TRP A 35 1.411 8.905 3.813 1.00 3.78 C ATOM 491 O TRP A 35 1.275 10.058 3.435 1.00 3.73 O ATOM 492 CB TRP A 35 3.422 7.995 2.595 1.00 3.61 C ATOM 493 CG TRP A 35 4.408 9.063 2.239 1.00 3.56 C ATOM 494 CD1 TRP A 35 4.498 10.275 2.838 1.00 3.63 C ATOM 495 CD2 TRP A 35 5.443 9.039 1.215 1.00 3.56 C ATOM 496 NE1 TRP A 35 5.519 10.992 2.249 1.00 3.69 N ATOM 497 CE2 TRP A 35 6.133 10.274 1.243 1.00 3.65 C ATOM 498 CE3 TRP A 35 5.848 8.073 0.276 1.00 3.59 C ATOM 499 CZ2 TRP A 35 7.184 10.543 0.371 1.00 3.78 C ATOM 500 CZ3 TRP A 35 6.908 8.342 -0.607 1.00 3.70 C ATOM 501 CH2 TRP A 35 7.573 9.575 -0.559 1.00 3.80 C ATOM 0 H TRP A 35 2.597 6.169 4.069 1.00 3.88 H new ATOM 0 HA TRP A 35 3.396 9.025 4.529 1.00 3.81 H new ATOM 0 HB2 TRP A 35 3.913 7.022 2.608 1.00 3.61 H new ATOM 0 HB3 TRP A 35 2.636 7.945 1.841 1.00 3.61 H new ATOM 0 HD1 TRP A 35 3.872 10.623 3.646 1.00 3.63 H new ATOM 0 HE1 TRP A 35 5.787 11.937 2.523 1.00 3.69 H new ATOM 0 HE3 TRP A 35 5.342 7.120 0.233 1.00 3.59 H new ATOM 0 HZ2 TRP A 35 7.695 11.493 0.413 1.00 3.78 H new ATOM 0 HZ3 TRP A 35 7.212 7.595 -1.326 1.00 3.70 H new ATOM 0 HH2 TRP A 35 8.386 9.777 -1.241 1.00 3.80 H new ATOM 512 N CYS A 36 0.374 8.144 4.090 1.00 3.87 N ATOM 513 CA CYS A 36 -1.021 8.652 3.967 1.00 3.94 C ATOM 514 C CYS A 36 -1.351 9.035 2.524 1.00 3.57 C ATOM 515 O CYS A 36 -0.510 9.042 1.648 1.00 3.51 O ATOM 516 CB CYS A 36 -1.091 9.873 4.883 1.00 4.25 C ATOM 517 SG CYS A 36 -2.742 9.973 5.614 1.00 4.29 S ATOM 0 H CYS A 36 0.445 7.175 4.401 1.00 3.87 H new ATOM 0 HA CYS A 36 -1.747 7.889 4.249 1.00 3.94 H new ATOM 0 HB2 CYS A 36 -0.337 9.798 5.667 1.00 4.25 H new ATOM 0 HB3 CYS A 36 -0.875 10.780 4.318 1.00 4.25 H new ATOM 0 HG CYS A 36 -2.808 11.009 6.397 1.00 4.29 H new ATOM 523 N TYR A 37 -2.581 9.350 2.278 1.00 3.44 N ATOM 524 CA TYR A 37 -2.995 9.738 0.896 1.00 3.24 C ATOM 525 C TYR A 37 -2.689 11.221 0.628 1.00 3.04 C ATOM 526 O TYR A 37 -2.436 11.613 -0.494 1.00 3.17 O ATOM 527 CB TYR A 37 -4.502 9.483 0.855 1.00 3.49 C ATOM 528 CG TYR A 37 -4.892 8.974 -0.506 1.00 3.42 C ATOM 529 CD1 TYR A 37 -5.085 9.873 -1.557 1.00 3.44 C ATOM 530 CD2 TYR A 37 -5.069 7.602 -0.715 1.00 3.54 C ATOM 531 CE1 TYR A 37 -5.457 9.403 -2.819 1.00 3.55 C ATOM 532 CE2 TYR A 37 -5.441 7.131 -1.977 1.00 3.65 C ATOM 533 CZ TYR A 37 -5.635 8.032 -3.028 1.00 3.63 C ATOM 534 OH TYR A 37 -5.998 7.569 -4.272 1.00 3.89 O ATOM 0 H TYR A 37 -3.328 9.358 2.972 1.00 3.44 H new ATOM 0 HA TYR A 37 -2.459 9.172 0.134 1.00 3.24 H new ATOM 0 HB2 TYR A 37 -4.779 8.756 1.619 1.00 3.49 H new ATOM 0 HB3 TYR A 37 -5.043 10.403 1.079 1.00 3.49 H new ATOM 0 HD1 TYR A 37 -4.947 10.932 -1.394 1.00 3.44 H new ATOM 0 HD2 TYR A 37 -4.918 6.908 0.098 1.00 3.54 H new ATOM 0 HE1 TYR A 37 -5.607 10.098 -3.632 1.00 3.55 H new ATOM 0 HE2 TYR A 37 -5.578 6.072 -2.140 1.00 3.65 H new ATOM 0 HH TYR A 37 -6.079 6.593 -4.247 1.00 3.89 H new ATOM 544 N LEU A 38 -2.719 12.045 1.645 1.00 2.89 N ATOM 545 CA LEU A 38 -2.440 13.504 1.439 1.00 2.83 C ATOM 546 C LEU A 38 -1.110 13.938 2.097 1.00 2.76 C ATOM 547 O LEU A 38 -0.822 15.115 2.187 1.00 2.64 O ATOM 548 CB LEU A 38 -3.636 14.234 2.071 1.00 2.80 C ATOM 549 CG LEU A 38 -3.836 13.793 3.529 1.00 2.88 C ATOM 550 CD1 LEU A 38 -4.138 15.020 4.389 1.00 3.11 C ATOM 551 CD2 LEU A 38 -5.014 12.818 3.624 1.00 2.95 C ATOM 0 H LEU A 38 -2.924 11.774 2.607 1.00 2.89 H new ATOM 0 HA LEU A 38 -2.327 13.740 0.381 1.00 2.83 H new ATOM 0 HB2 LEU A 38 -3.473 15.311 2.031 1.00 2.80 H new ATOM 0 HB3 LEU A 38 -4.539 14.027 1.497 1.00 2.80 H new ATOM 0 HG LEU A 38 -2.929 13.301 3.881 1.00 2.88 H new ATOM 0 HD11 LEU A 38 -4.281 14.712 5.425 1.00 3.11 H new ATOM 0 HD12 LEU A 38 -3.304 15.720 4.330 1.00 3.11 H new ATOM 0 HD13 LEU A 38 -5.045 15.504 4.026 1.00 3.11 H new ATOM 0 HD21 LEU A 38 -5.149 12.510 4.661 1.00 2.95 H new ATOM 0 HD22 LEU A 38 -5.921 13.308 3.270 1.00 2.95 H new ATOM 0 HD23 LEU A 38 -4.811 11.941 3.009 1.00 2.95 H new ATOM 563 N ARG A 39 -0.291 13.002 2.537 1.00 2.88 N ATOM 564 CA ARG A 39 1.027 13.358 3.172 1.00 2.90 C ATOM 565 C ARG A 39 0.859 14.370 4.326 1.00 2.78 C ATOM 566 O ARG A 39 1.782 15.090 4.660 1.00 2.90 O ATOM 567 CB ARG A 39 1.853 13.975 2.040 1.00 2.91 C ATOM 568 CG ARG A 39 2.709 12.897 1.373 1.00 3.11 C ATOM 569 CD ARG A 39 1.857 12.136 0.358 1.00 3.06 C ATOM 570 NE ARG A 39 1.836 10.730 0.860 1.00 3.19 N ATOM 571 CZ ARG A 39 2.012 9.745 0.031 1.00 3.09 C ATOM 572 NH1 ARG A 39 3.076 9.697 -0.706 1.00 3.05 N ATOM 573 NH2 ARG A 39 1.127 8.809 -0.044 1.00 3.11 N ATOM 0 H ARG A 39 -0.481 12.001 2.483 1.00 2.88 H new ATOM 0 HA ARG A 39 1.501 12.481 3.613 1.00 2.90 H new ATOM 0 HB2 ARG A 39 1.192 14.434 1.304 1.00 2.91 H new ATOM 0 HB3 ARG A 39 2.491 14.767 2.433 1.00 2.91 H new ATOM 0 HG2 ARG A 39 3.567 13.352 0.878 1.00 3.11 H new ATOM 0 HG3 ARG A 39 3.101 12.211 2.124 1.00 3.11 H new ATOM 0 HD2 ARG A 39 0.850 12.550 0.296 1.00 3.06 H new ATOM 0 HD3 ARG A 39 2.287 12.193 -0.642 1.00 3.06 H new ATOM 0 HE ARG A 39 1.684 10.543 1.851 1.00 3.19 H new ATOM 0 HH11 ARG A 39 3.778 10.434 -0.636 1.00 3.05 H new ATOM 0 HH12 ARG A 39 3.212 8.923 -1.356 1.00 3.05 H new ATOM 0 HH21 ARG A 39 0.295 8.845 0.545 1.00 3.11 H new ATOM 0 HH22 ARG A 39 1.259 8.033 -0.693 1.00 3.11 H new ATOM 587 N LEU A 40 -0.298 14.421 4.938 1.00 2.67 N ATOM 588 CA LEU A 40 -0.518 15.376 6.070 1.00 2.55 C ATOM 589 C LEU A 40 -1.409 14.733 7.143 1.00 2.49 C ATOM 590 O LEU A 40 -1.988 13.684 6.928 1.00 2.63 O ATOM 591 CB LEU A 40 -1.208 16.590 5.439 1.00 2.52 C ATOM 592 CG LEU A 40 -0.337 17.830 5.640 1.00 2.61 C ATOM 593 CD1 LEU A 40 0.228 18.279 4.293 1.00 3.13 C ATOM 594 CD2 LEU A 40 -1.183 18.956 6.234 1.00 2.35 C ATOM 0 H LEU A 40 -1.103 13.841 4.702 1.00 2.67 H new ATOM 0 HA LEU A 40 0.413 15.654 6.564 1.00 2.55 H new ATOM 0 HB2 LEU A 40 -1.373 16.416 4.376 1.00 2.52 H new ATOM 0 HB3 LEU A 40 -2.187 16.742 5.893 1.00 2.52 H new ATOM 0 HG LEU A 40 0.482 17.592 6.319 1.00 2.61 H new ATOM 0 HD11 LEU A 40 0.849 19.163 4.436 1.00 3.13 H new ATOM 0 HD12 LEU A 40 0.830 17.477 3.866 1.00 3.13 H new ATOM 0 HD13 LEU A 40 -0.592 18.517 3.616 1.00 3.13 H new ATOM 0 HD21 LEU A 40 -0.562 19.840 6.378 1.00 2.35 H new ATOM 0 HD22 LEU A 40 -2.002 19.193 5.554 1.00 2.35 H new ATOM 0 HD23 LEU A 40 -1.589 18.638 7.194 1.00 2.35 H new ATOM 606 N GLN A 41 -1.502 15.344 8.304 1.00 2.35 N ATOM 607 CA GLN A 41 -2.331 14.764 9.414 1.00 2.33 C ATOM 608 C GLN A 41 -1.833 13.340 9.737 1.00 2.59 C ATOM 609 O GLN A 41 -2.600 12.461 10.080 1.00 2.70 O ATOM 610 CB GLN A 41 -3.775 14.746 8.878 1.00 2.31 C ATOM 611 CG GLN A 41 -4.587 15.893 9.504 1.00 2.26 C ATOM 612 CD GLN A 41 -6.025 15.428 9.761 1.00 2.19 C ATOM 613 OE1 GLN A 41 -6.952 15.891 9.126 1.00 2.32 O ATOM 614 NE2 GLN A 41 -6.252 14.527 10.669 1.00 2.30 N ATOM 0 H GLN A 41 -1.037 16.223 8.531 1.00 2.35 H new ATOM 0 HA GLN A 41 -2.265 15.341 10.337 1.00 2.33 H new ATOM 0 HB2 GLN A 41 -3.769 14.845 7.792 1.00 2.31 H new ATOM 0 HB3 GLN A 41 -4.245 13.790 9.109 1.00 2.31 H new ATOM 0 HG2 GLN A 41 -4.125 16.211 10.439 1.00 2.26 H new ATOM 0 HG3 GLN A 41 -4.587 16.757 8.839 1.00 2.26 H new ATOM 0 HE21 GLN A 41 -5.477 14.136 11.204 1.00 2.30 H new ATOM 0 HE22 GLN A 41 -7.205 14.211 10.847 1.00 2.30 H new ATOM 623 N ARG A 42 -0.544 13.111 9.602 1.00 2.75 N ATOM 624 CA ARG A 42 0.020 11.753 9.868 1.00 3.04 C ATOM 625 C ARG A 42 1.431 11.842 10.467 1.00 3.12 C ATOM 626 O ARG A 42 1.693 11.332 11.541 1.00 3.12 O ATOM 627 CB ARG A 42 0.048 11.101 8.484 1.00 3.38 C ATOM 628 CG ARG A 42 1.045 9.937 8.467 1.00 3.72 C ATOM 629 CD ARG A 42 0.286 8.612 8.539 1.00 3.89 C ATOM 630 NE ARG A 42 0.033 8.403 9.994 1.00 3.51 N ATOM 631 CZ ARG A 42 0.858 7.709 10.710 1.00 3.48 C ATOM 632 NH1 ARG A 42 1.105 6.479 10.395 1.00 3.90 N ATOM 633 NH2 ARG A 42 1.429 8.249 11.740 1.00 3.14 N ATOM 0 H ARG A 42 0.140 13.812 9.318 1.00 2.75 H new ATOM 0 HA ARG A 42 -0.566 11.187 10.593 1.00 3.04 H new ATOM 0 HB2 ARG A 42 -0.947 10.741 8.224 1.00 3.38 H new ATOM 0 HB3 ARG A 42 0.327 11.839 7.732 1.00 3.38 H new ATOM 0 HG2 ARG A 42 1.647 9.974 7.559 1.00 3.72 H new ATOM 0 HG3 ARG A 42 1.732 10.021 9.309 1.00 3.72 H new ATOM 0 HD2 ARG A 42 -0.647 8.658 7.977 1.00 3.89 H new ATOM 0 HD3 ARG A 42 0.872 7.796 8.117 1.00 3.89 H new ATOM 0 HE ARG A 42 -0.796 8.810 10.428 1.00 3.51 H new ATOM 0 HH11 ARG A 42 0.650 6.059 9.584 1.00 3.90 H new ATOM 0 HH12 ARG A 42 1.755 5.929 10.957 1.00 3.90 H new ATOM 0 HH21 ARG A 42 1.228 9.219 11.985 1.00 3.14 H new ATOM 0 HH22 ARG A 42 2.080 7.705 12.306 1.00 3.14 H new ATOM 647 N ILE A 43 2.338 12.470 9.768 1.00 3.25 N ATOM 648 CA ILE A 43 3.748 12.603 10.272 1.00 3.42 C ATOM 649 C ILE A 43 3.763 13.241 11.664 1.00 3.21 C ATOM 650 O ILE A 43 4.629 12.979 12.477 1.00 3.38 O ATOM 651 CB ILE A 43 4.451 13.526 9.272 1.00 3.49 C ATOM 652 CG1 ILE A 43 3.659 14.823 9.069 1.00 3.18 C ATOM 653 CG2 ILE A 43 4.591 12.817 7.931 1.00 3.80 C ATOM 654 CD1 ILE A 43 4.422 15.754 8.122 1.00 3.25 C ATOM 0 H ILE A 43 2.167 12.903 8.860 1.00 3.25 H new ATOM 0 HA ILE A 43 4.237 11.632 10.354 1.00 3.42 H new ATOM 0 HB ILE A 43 5.434 13.773 9.672 1.00 3.49 H new ATOM 0 HG12 ILE A 43 2.675 14.598 8.658 1.00 3.18 H new ATOM 0 HG13 ILE A 43 3.499 15.316 10.028 1.00 3.18 H new ATOM 0 HG21 ILE A 43 5.091 13.476 7.222 1.00 3.80 H new ATOM 0 HG22 ILE A 43 5.179 11.908 8.059 1.00 3.80 H new ATOM 0 HG23 ILE A 43 3.603 12.559 7.551 1.00 3.80 H new ATOM 0 HD11 ILE A 43 3.855 16.674 7.981 1.00 3.25 H new ATOM 0 HD12 ILE A 43 5.396 15.990 8.550 1.00 3.25 H new ATOM 0 HD13 ILE A 43 4.559 15.261 7.159 1.00 3.25 H new ATOM 666 N SER A 44 2.810 14.093 11.907 1.00 2.87 N ATOM 667 CA SER A 44 2.695 14.818 13.217 1.00 2.66 C ATOM 668 C SER A 44 3.809 15.862 13.321 1.00 2.79 C ATOM 669 O SER A 44 4.527 15.940 14.303 1.00 2.98 O ATOM 670 CB SER A 44 2.821 13.750 14.307 1.00 2.85 C ATOM 671 OG SER A 44 1.779 13.928 15.258 1.00 2.68 O ATOM 0 H SER A 44 2.080 14.329 11.235 1.00 2.87 H new ATOM 0 HA SER A 44 1.749 15.350 13.316 1.00 2.66 H new ATOM 0 HB2 SER A 44 2.762 12.755 13.866 1.00 2.85 H new ATOM 0 HB3 SER A 44 3.792 13.825 14.796 1.00 2.85 H new ATOM 0 HG SER A 44 1.854 13.245 15.957 1.00 2.68 H new ATOM 677 N GLN A 45 3.952 16.661 12.296 1.00 2.76 N ATOM 678 CA GLN A 45 5.015 17.713 12.287 1.00 2.94 C ATOM 679 C GLN A 45 4.385 19.083 12.007 1.00 2.66 C ATOM 680 O GLN A 45 4.419 19.970 12.837 1.00 2.71 O ATOM 681 CB GLN A 45 5.967 17.314 11.150 1.00 3.27 C ATOM 682 CG GLN A 45 6.487 15.886 11.371 1.00 3.61 C ATOM 683 CD GLN A 45 7.504 15.867 12.514 1.00 3.89 C ATOM 684 OE1 GLN A 45 8.683 16.036 12.294 1.00 4.09 O ATOM 685 NE2 GLN A 45 7.096 15.667 13.733 1.00 4.02 N ATOM 0 H GLN A 45 3.373 16.630 11.457 1.00 2.76 H new ATOM 0 HA GLN A 45 5.537 17.786 13.241 1.00 2.94 H new ATOM 0 HB2 GLN A 45 5.449 17.376 10.193 1.00 3.27 H new ATOM 0 HB3 GLN A 45 6.804 18.011 11.105 1.00 3.27 H new ATOM 0 HG2 GLN A 45 5.656 15.220 11.602 1.00 3.61 H new ATOM 0 HG3 GLN A 45 6.949 15.513 10.457 1.00 3.61 H new ATOM 0 HE21 GLN A 45 6.104 15.524 13.922 1.00 4.02 H new ATOM 0 HE22 GLN A 45 7.768 15.653 14.500 1.00 4.02 H new ATOM 694 N SER A 46 3.798 19.252 10.848 1.00 2.45 N ATOM 695 CA SER A 46 3.149 20.553 10.513 1.00 2.23 C ATOM 696 C SER A 46 1.771 20.640 11.176 1.00 1.77 C ATOM 697 O SER A 46 1.257 21.716 11.415 1.00 1.76 O ATOM 698 CB SER A 46 3.013 20.569 8.985 1.00 2.34 C ATOM 699 OG SER A 46 2.757 19.247 8.507 1.00 2.36 O ATOM 0 H SER A 46 3.741 18.541 10.118 1.00 2.45 H new ATOM 0 HA SER A 46 3.732 21.402 10.870 1.00 2.23 H new ATOM 0 HB2 SER A 46 2.202 21.235 8.690 1.00 2.34 H new ATOM 0 HB3 SER A 46 3.926 20.958 8.534 1.00 2.34 H new ATOM 0 HG SER A 46 2.669 19.263 7.531 1.00 2.36 H new ATOM 705 N GLU A 47 1.176 19.513 11.478 1.00 1.58 N ATOM 706 CA GLU A 47 -0.158 19.519 12.131 1.00 1.21 C ATOM 707 C GLU A 47 -0.021 19.283 13.646 1.00 1.20 C ATOM 708 O GLU A 47 1.050 19.004 14.156 1.00 1.57 O ATOM 709 CB GLU A 47 -0.964 18.399 11.451 1.00 1.40 C ATOM 710 CG GLU A 47 -0.257 17.044 11.619 1.00 1.74 C ATOM 711 CD GLU A 47 0.604 16.736 10.386 1.00 2.18 C ATOM 712 OE1 GLU A 47 0.183 17.048 9.281 1.00 3.16 O ATOM 713 OE2 GLU A 47 1.678 16.202 10.571 1.00 1.79 O ATOM 0 H GLU A 47 1.563 18.587 11.297 1.00 1.58 H new ATOM 0 HA GLU A 47 -0.661 20.480 12.020 1.00 1.21 H new ATOM 0 HB2 GLU A 47 -1.964 18.350 11.883 1.00 1.40 H new ATOM 0 HB3 GLU A 47 -1.085 18.623 10.391 1.00 1.40 H new ATOM 0 HG2 GLU A 47 0.367 17.060 12.512 1.00 1.74 H new ATOM 0 HG3 GLU A 47 -0.996 16.256 11.761 1.00 1.74 H new ATOM 720 N ASP A 48 -1.103 19.424 14.360 1.00 0.99 N ATOM 721 CA ASP A 48 -1.084 19.251 15.845 1.00 1.15 C ATOM 722 C ASP A 48 -1.274 17.780 16.236 1.00 1.16 C ATOM 723 O ASP A 48 -0.681 17.304 17.186 1.00 1.26 O ATOM 724 CB ASP A 48 -2.272 20.087 16.347 1.00 1.27 C ATOM 725 CG ASP A 48 -2.005 21.575 16.118 1.00 1.51 C ATOM 726 OD1 ASP A 48 -2.198 22.029 14.999 1.00 1.38 O ATOM 727 OD2 ASP A 48 -1.623 22.239 17.066 1.00 1.97 O ATOM 0 H ASP A 48 -2.017 19.656 13.972 1.00 0.99 H new ATOM 0 HA ASP A 48 -0.133 19.564 16.276 1.00 1.15 H new ATOM 0 HB2 ASP A 48 -3.182 19.789 15.826 1.00 1.27 H new ATOM 0 HB3 ASP A 48 -2.436 19.899 17.408 1.00 1.27 H new ATOM 732 N GLU A 49 -2.109 17.064 15.525 1.00 1.24 N ATOM 733 CA GLU A 49 -2.358 15.639 15.869 1.00 1.42 C ATOM 734 C GLU A 49 -2.575 14.785 14.603 1.00 1.69 C ATOM 735 O GLU A 49 -2.625 15.292 13.498 1.00 1.78 O ATOM 736 CB GLU A 49 -3.626 15.692 16.726 1.00 1.48 C ATOM 737 CG GLU A 49 -3.771 14.401 17.537 1.00 1.62 C ATOM 738 CD GLU A 49 -4.876 13.539 16.925 1.00 1.89 C ATOM 739 OE1 GLU A 49 -5.973 14.042 16.769 1.00 2.09 O ATOM 740 OE2 GLU A 49 -4.605 12.388 16.620 1.00 2.05 O ATOM 0 H GLU A 49 -2.629 17.411 14.719 1.00 1.24 H new ATOM 0 HA GLU A 49 -1.517 15.178 16.386 1.00 1.42 H new ATOM 0 HB2 GLU A 49 -3.584 16.549 17.398 1.00 1.48 H new ATOM 0 HB3 GLU A 49 -4.499 15.829 16.088 1.00 1.48 H new ATOM 0 HG2 GLU A 49 -2.828 13.854 17.542 1.00 1.62 H new ATOM 0 HG3 GLU A 49 -4.009 14.635 18.575 1.00 1.62 H new ATOM 747 N GLU A 50 -2.702 13.492 14.770 1.00 1.94 N ATOM 748 CA GLU A 50 -2.913 12.580 13.600 1.00 2.30 C ATOM 749 C GLU A 50 -4.387 12.588 13.169 1.00 2.46 C ATOM 750 O GLU A 50 -4.736 13.057 12.100 1.00 2.60 O ATOM 751 CB GLU A 50 -2.493 11.198 14.127 1.00 2.47 C ATOM 752 CG GLU A 50 -3.023 10.085 13.211 1.00 2.84 C ATOM 753 CD GLU A 50 -1.863 9.433 12.459 1.00 3.09 C ATOM 754 OE1 GLU A 50 -0.975 8.906 13.109 1.00 3.40 O ATOM 755 OE2 GLU A 50 -1.880 9.467 11.239 1.00 3.29 O ATOM 0 H GLU A 50 -2.668 13.024 15.675 1.00 1.94 H new ATOM 0 HA GLU A 50 -2.343 12.878 12.720 1.00 2.30 H new ATOM 0 HB2 GLU A 50 -1.406 11.141 14.186 1.00 2.47 H new ATOM 0 HB3 GLU A 50 -2.875 11.057 15.138 1.00 2.47 H new ATOM 0 HG2 GLU A 50 -3.551 9.337 13.802 1.00 2.84 H new ATOM 0 HG3 GLU A 50 -3.742 10.497 12.502 1.00 2.84 H new ATOM 762 N SER A 51 -5.247 12.073 14.001 1.00 2.50 N ATOM 763 CA SER A 51 -6.708 12.032 13.675 1.00 2.76 C ATOM 764 C SER A 51 -7.502 11.530 14.884 1.00 2.79 C ATOM 765 O SER A 51 -7.854 10.366 14.963 1.00 3.01 O ATOM 766 CB SER A 51 -6.842 11.042 12.517 1.00 3.15 C ATOM 767 OG SER A 51 -7.096 11.758 11.316 1.00 3.23 O ATOM 0 H SER A 51 -5.001 11.672 14.906 1.00 2.50 H new ATOM 0 HA SER A 51 -7.092 13.018 13.415 1.00 2.76 H new ATOM 0 HB2 SER A 51 -5.929 10.454 12.418 1.00 3.15 H new ATOM 0 HB3 SER A 51 -7.653 10.341 12.715 1.00 3.15 H new ATOM 0 HG SER A 51 -7.181 11.127 10.571 1.00 3.23 H new ATOM 773 N ILE A 52 -7.781 12.399 15.824 1.00 2.63 N ATOM 774 CA ILE A 52 -8.547 12.033 17.047 1.00 2.70 C ATOM 775 C ILE A 52 -7.781 11.033 17.933 1.00 2.57 C ATOM 776 O ILE A 52 -7.728 11.190 19.134 1.00 2.45 O ATOM 777 CB ILE A 52 -9.847 11.442 16.529 1.00 3.10 C ATOM 778 CG1 ILE A 52 -10.473 12.367 15.476 1.00 3.30 C ATOM 779 CG2 ILE A 52 -10.804 11.293 17.692 1.00 3.23 C ATOM 780 CD1 ILE A 52 -10.636 13.779 16.050 1.00 3.25 C ATOM 0 H ILE A 52 -7.498 13.378 15.788 1.00 2.63 H new ATOM 0 HA ILE A 52 -8.717 12.898 17.688 1.00 2.70 H new ATOM 0 HB ILE A 52 -9.647 10.474 16.070 1.00 3.10 H new ATOM 0 HG12 ILE A 52 -9.844 12.397 14.586 1.00 3.30 H new ATOM 0 HG13 ILE A 52 -11.443 11.977 15.167 1.00 3.30 H new ATOM 0 HG21 ILE A 52 -11.744 10.870 17.338 1.00 3.23 H new ATOM 0 HG22 ILE A 52 -10.367 10.632 18.440 1.00 3.23 H new ATOM 0 HG23 ILE A 52 -10.991 12.270 18.137 1.00 3.23 H new ATOM 0 HD11 ILE A 52 -11.081 14.429 15.296 1.00 3.25 H new ATOM 0 HD12 ILE A 52 -11.283 13.743 16.926 1.00 3.25 H new ATOM 0 HD13 ILE A 52 -9.660 14.170 16.336 1.00 3.25 H new ATOM 792 N VAL A 53 -7.199 10.012 17.353 1.00 2.65 N ATOM 793 CA VAL A 53 -6.439 8.990 18.155 1.00 2.60 C ATOM 794 C VAL A 53 -5.428 9.653 19.103 1.00 2.28 C ATOM 795 O VAL A 53 -5.155 9.146 20.176 1.00 2.27 O ATOM 796 CB VAL A 53 -5.697 8.123 17.124 1.00 2.81 C ATOM 797 CG1 VAL A 53 -6.705 7.443 16.197 1.00 3.17 C ATOM 798 CG2 VAL A 53 -4.744 8.992 16.292 1.00 2.70 C ATOM 0 H VAL A 53 -7.216 9.837 16.348 1.00 2.65 H new ATOM 0 HA VAL A 53 -7.116 8.407 18.780 1.00 2.60 H new ATOM 0 HB VAL A 53 -5.120 7.364 17.653 1.00 2.81 H new ATOM 0 HG11 VAL A 53 -6.174 6.830 15.469 1.00 3.17 H new ATOM 0 HG12 VAL A 53 -7.372 6.812 16.785 1.00 3.17 H new ATOM 0 HG13 VAL A 53 -7.289 8.201 15.676 1.00 3.17 H new ATOM 0 HG21 VAL A 53 -4.224 8.368 15.565 1.00 2.70 H new ATOM 0 HG22 VAL A 53 -5.314 9.760 15.769 1.00 2.70 H new ATOM 0 HG23 VAL A 53 -4.016 9.466 16.950 1.00 2.70 H new ATOM 808 N GLY A 54 -4.858 10.767 18.709 1.00 2.06 N ATOM 809 CA GLY A 54 -3.849 11.462 19.574 1.00 1.85 C ATOM 810 C GLY A 54 -4.506 12.009 20.850 1.00 1.78 C ATOM 811 O GLY A 54 -4.495 13.200 21.097 1.00 1.71 O ATOM 0 H GLY A 54 -5.049 11.228 17.820 1.00 2.06 H new ATOM 0 HA2 GLY A 54 -3.052 10.768 19.839 1.00 1.85 H new ATOM 0 HA3 GLY A 54 -3.389 12.279 19.018 1.00 1.85 H new ATOM 815 N ASP A 55 -5.061 11.148 21.665 1.00 1.94 N ATOM 816 CA ASP A 55 -5.708 11.606 22.932 1.00 2.01 C ATOM 817 C ASP A 55 -4.660 11.711 24.058 1.00 1.94 C ATOM 818 O ASP A 55 -3.715 10.945 24.118 1.00 2.05 O ATOM 819 CB ASP A 55 -6.755 10.532 23.264 1.00 2.38 C ATOM 820 CG ASP A 55 -8.031 10.745 22.438 1.00 2.88 C ATOM 821 OD1 ASP A 55 -8.407 11.884 22.232 1.00 2.83 O ATOM 822 OD2 ASP A 55 -8.629 9.755 22.045 1.00 3.44 O ATOM 0 H ASP A 55 -5.094 10.141 21.506 1.00 1.94 H new ATOM 0 HA ASP A 55 -6.161 12.592 22.828 1.00 2.01 H new ATOM 0 HB2 ASP A 55 -6.345 9.543 23.061 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -6.994 10.566 24.327 1.00 2.38 H new ATOM 827 N GLY A 56 -4.829 12.656 24.947 1.00 1.99 N ATOM 828 CA GLY A 56 -3.859 12.838 26.077 1.00 2.12 C ATOM 829 C GLY A 56 -4.325 14.026 26.912 1.00 2.26 C ATOM 830 O GLY A 56 -4.456 13.948 28.118 1.00 2.47 O ATOM 0 H GLY A 56 -5.605 13.318 24.941 1.00 1.99 H new ATOM 0 HA2 GLY A 56 -3.813 11.937 26.689 1.00 2.12 H new ATOM 0 HA3 GLY A 56 -2.854 13.013 25.692 1.00 2.12 H new ATOM 834 N GLU A 57 -4.602 15.120 26.254 1.00 2.27 N ATOM 835 CA GLU A 57 -5.096 16.333 26.959 1.00 2.59 C ATOM 836 C GLU A 57 -6.608 16.474 26.728 1.00 2.73 C ATOM 837 O GLU A 57 -7.380 16.620 27.657 1.00 3.04 O ATOM 838 CB GLU A 57 -4.321 17.490 26.318 1.00 2.81 C ATOM 839 CG GLU A 57 -4.793 18.822 26.909 1.00 3.07 C ATOM 840 CD GLU A 57 -5.189 19.773 25.778 1.00 3.71 C ATOM 841 OE1 GLU A 57 -6.175 19.495 25.117 1.00 4.25 O ATOM 842 OE2 GLU A 57 -4.503 20.762 25.595 1.00 3.97 O ATOM 0 H GLU A 57 -4.505 15.223 25.244 1.00 2.27 H new ATOM 0 HA GLU A 57 -4.944 16.301 28.038 1.00 2.59 H new ATOM 0 HB2 GLU A 57 -3.252 17.364 26.491 1.00 2.81 H new ATOM 0 HB3 GLU A 57 -4.472 17.487 25.239 1.00 2.81 H new ATOM 0 HG2 GLU A 57 -5.642 18.657 27.573 1.00 3.07 H new ATOM 0 HG3 GLU A 57 -4.000 19.266 27.510 1.00 3.07 H new ATOM 849 N THR A 58 -7.033 16.407 25.491 1.00 2.64 N ATOM 850 CA THR A 58 -8.482 16.514 25.174 1.00 3.00 C ATOM 851 C THR A 58 -8.929 15.270 24.406 1.00 2.97 C ATOM 852 O THR A 58 -8.384 14.949 23.367 1.00 2.76 O ATOM 853 CB THR A 58 -8.616 17.768 24.300 1.00 3.11 C ATOM 854 OG1 THR A 58 -8.572 18.919 25.126 1.00 3.04 O ATOM 855 CG2 THR A 58 -9.947 17.749 23.546 1.00 4.08 C ATOM 0 H THR A 58 -6.427 16.281 24.681 1.00 2.64 H new ATOM 0 HA THR A 58 -9.101 16.585 26.068 1.00 3.00 H new ATOM 0 HB THR A 58 -7.797 17.787 23.581 1.00 3.11 H new ATOM 0 HG1 THR A 58 -7.642 19.115 25.364 1.00 3.04 H new ATOM 0 HG21 THR A 58 -10.029 18.644 22.930 1.00 4.08 H new ATOM 0 HG22 THR A 58 -9.992 16.865 22.910 1.00 4.08 H new ATOM 0 HG23 THR A 58 -10.770 17.724 24.261 1.00 4.08 H new ATOM 863 N LYS A 59 -9.924 14.578 24.891 1.00 3.28 N ATOM 864 CA LYS A 59 -10.402 13.370 24.160 1.00 3.42 C ATOM 865 C LYS A 59 -11.076 13.810 22.856 1.00 3.61 C ATOM 866 O LYS A 59 -11.924 14.684 22.858 1.00 3.90 O ATOM 867 CB LYS A 59 -11.406 12.690 25.095 1.00 3.86 C ATOM 868 CG LYS A 59 -11.190 11.176 25.057 1.00 3.88 C ATOM 869 CD LYS A 59 -11.783 10.609 23.765 1.00 4.16 C ATOM 870 CE LYS A 59 -11.476 9.113 23.668 1.00 4.21 C ATOM 871 NZ LYS A 59 -10.972 8.902 22.278 1.00 4.06 N ATOM 0 H LYS A 59 -10.423 14.794 25.754 1.00 3.28 H new ATOM 0 HA LYS A 59 -9.593 12.688 23.899 1.00 3.42 H new ATOM 0 HB2 LYS A 59 -11.281 13.061 26.112 1.00 3.86 H new ATOM 0 HB3 LYS A 59 -12.424 12.931 24.790 1.00 3.86 H new ATOM 0 HG2 LYS A 59 -10.125 10.948 25.112 1.00 3.88 H new ATOM 0 HG3 LYS A 59 -11.661 10.709 25.922 1.00 3.88 H new ATOM 0 HD2 LYS A 59 -12.861 10.771 23.747 1.00 4.16 H new ATOM 0 HD3 LYS A 59 -11.368 11.132 22.903 1.00 4.16 H new ATOM 0 HE2 LYS A 59 -10.731 8.816 24.406 1.00 4.21 H new ATOM 0 HE3 LYS A 59 -12.368 8.516 23.858 1.00 4.21 H new ATOM 0 HZ1 LYS A 59 -11.230 7.947 21.957 1.00 4.06 H new ATOM 0 HZ2 LYS A 59 -11.398 9.608 21.644 1.00 4.06 H new ATOM 0 HZ3 LYS A 59 -9.937 9.004 22.265 1.00 4.06 H new ATOM 885 N GLU A 60 -10.686 13.225 21.748 1.00 3.50 N ATOM 886 CA GLU A 60 -11.275 13.607 20.427 1.00 3.71 C ATOM 887 C GLU A 60 -10.929 15.074 20.093 1.00 3.59 C ATOM 888 O GLU A 60 -11.810 15.911 19.984 1.00 3.91 O ATOM 889 CB GLU A 60 -12.790 13.418 20.592 1.00 4.20 C ATOM 890 CG GLU A 60 -13.261 12.185 19.810 1.00 4.44 C ATOM 891 CD GLU A 60 -13.226 10.958 20.719 1.00 4.49 C ATOM 892 OE1 GLU A 60 -14.145 10.798 21.502 1.00 4.78 O ATOM 893 OE2 GLU A 60 -12.276 10.197 20.623 1.00 4.30 O ATOM 0 H GLU A 60 -9.978 12.492 21.704 1.00 3.50 H new ATOM 0 HA GLU A 60 -10.885 13.002 19.608 1.00 3.71 H new ATOM 0 HB2 GLU A 60 -13.036 13.303 21.648 1.00 4.20 H new ATOM 0 HB3 GLU A 60 -13.315 14.305 20.237 1.00 4.20 H new ATOM 0 HG2 GLU A 60 -14.272 12.344 19.435 1.00 4.44 H new ATOM 0 HG3 GLU A 60 -12.621 12.026 18.942 1.00 4.44 H new ATOM 900 N PRO A 61 -9.647 15.341 19.928 1.00 3.15 N ATOM 901 CA PRO A 61 -9.179 16.722 19.592 1.00 3.03 C ATOM 902 C PRO A 61 -9.621 17.121 18.171 1.00 3.19 C ATOM 903 O PRO A 61 -8.820 17.480 17.324 1.00 2.94 O ATOM 904 CB PRO A 61 -7.655 16.614 19.697 1.00 2.53 C ATOM 905 CG PRO A 61 -7.359 15.167 19.474 1.00 2.43 C ATOM 906 CD PRO A 61 -8.524 14.396 20.033 1.00 2.79 C ATOM 0 HA PRO A 61 -9.592 17.488 20.248 1.00 3.03 H new ATOM 0 HB2 PRO A 61 -7.162 17.238 18.952 1.00 2.53 H new ATOM 0 HB3 PRO A 61 -7.301 16.944 20.674 1.00 2.53 H new ATOM 0 HG2 PRO A 61 -7.230 14.958 18.412 1.00 2.43 H new ATOM 0 HG3 PRO A 61 -6.432 14.881 19.970 1.00 2.43 H new ATOM 0 HD2 PRO A 61 -8.712 13.485 19.464 1.00 2.79 H new ATOM 0 HD3 PRO A 61 -8.348 14.096 21.066 1.00 2.79 H new ATOM 914 N PHE A 62 -10.903 17.057 17.911 1.00 3.62 N ATOM 915 CA PHE A 62 -11.439 17.413 16.558 1.00 3.84 C ATOM 916 C PHE A 62 -11.038 18.833 16.160 1.00 3.67 C ATOM 917 O PHE A 62 -10.599 19.072 15.053 1.00 3.51 O ATOM 918 CB PHE A 62 -12.960 17.300 16.688 1.00 4.42 C ATOM 919 CG PHE A 62 -13.415 15.986 16.101 1.00 4.66 C ATOM 920 CD1 PHE A 62 -13.686 15.892 14.732 1.00 4.95 C ATOM 921 CD2 PHE A 62 -13.562 14.866 16.924 1.00 4.71 C ATOM 922 CE1 PHE A 62 -14.107 14.674 14.185 1.00 5.29 C ATOM 923 CE2 PHE A 62 -13.983 13.647 16.379 1.00 5.03 C ATOM 924 CZ PHE A 62 -14.256 13.551 15.009 1.00 5.33 C ATOM 0 H PHE A 62 -11.611 16.770 18.587 1.00 3.62 H new ATOM 0 HA PHE A 62 -11.042 16.756 15.784 1.00 3.84 H new ATOM 0 HB2 PHE A 62 -13.253 17.364 17.736 1.00 4.42 H new ATOM 0 HB3 PHE A 62 -13.443 18.129 16.171 1.00 4.42 H new ATOM 0 HD1 PHE A 62 -13.571 16.758 14.097 1.00 4.95 H new ATOM 0 HD2 PHE A 62 -13.351 14.941 17.981 1.00 4.71 H new ATOM 0 HE1 PHE A 62 -14.317 14.600 13.128 1.00 5.29 H new ATOM 0 HE2 PHE A 62 -14.097 12.781 17.015 1.00 5.03 H new ATOM 0 HZ PHE A 62 -14.581 12.611 14.588 1.00 5.33 H new ATOM 934 N LEU A 63 -11.184 19.769 17.052 1.00 3.75 N ATOM 935 CA LEU A 63 -10.808 21.184 16.733 1.00 3.68 C ATOM 936 C LEU A 63 -9.307 21.280 16.443 1.00 3.16 C ATOM 937 O LEU A 63 -8.882 22.008 15.567 1.00 3.00 O ATOM 938 CB LEU A 63 -11.178 21.989 17.981 1.00 3.97 C ATOM 939 CG LEU A 63 -12.695 22.176 18.039 1.00 4.52 C ATOM 940 CD1 LEU A 63 -13.183 21.967 19.474 1.00 4.89 C ATOM 941 CD2 LEU A 63 -13.051 23.592 17.583 1.00 4.79 C ATOM 0 H LEU A 63 -11.548 19.621 17.993 1.00 3.75 H new ATOM 0 HA LEU A 63 -11.322 21.559 15.848 1.00 3.68 H new ATOM 0 HB2 LEU A 63 -10.831 21.472 18.876 1.00 3.97 H new ATOM 0 HB3 LEU A 63 -10.682 22.959 17.960 1.00 3.97 H new ATOM 0 HG LEU A 63 -13.175 21.449 17.383 1.00 4.52 H new ATOM 0 HD11 LEU A 63 -14.264 22.101 19.514 1.00 4.89 H new ATOM 0 HD12 LEU A 63 -12.930 20.959 19.801 1.00 4.89 H new ATOM 0 HD13 LEU A 63 -12.703 22.693 20.131 1.00 4.89 H new ATOM 0 HD21 LEU A 63 -14.132 23.726 17.624 1.00 4.79 H new ATOM 0 HD22 LEU A 63 -12.570 24.317 18.239 1.00 4.79 H new ATOM 0 HD23 LEU A 63 -12.705 23.743 16.560 1.00 4.79 H new ATOM 953 N LEU A 64 -8.516 20.528 17.161 1.00 2.93 N ATOM 954 CA LEU A 64 -7.037 20.533 16.935 1.00 2.44 C ATOM 955 C LEU A 64 -6.744 20.123 15.487 1.00 2.19 C ATOM 956 O LEU A 64 -6.162 20.877 14.726 1.00 1.97 O ATOM 957 CB LEU A 64 -6.483 19.496 17.925 1.00 2.31 C ATOM 958 CG LEU A 64 -5.689 20.200 19.031 1.00 2.40 C ATOM 959 CD1 LEU A 64 -6.434 20.074 20.361 1.00 2.91 C ATOM 960 CD2 LEU A 64 -4.313 19.545 19.171 1.00 2.46 C ATOM 0 H LEU A 64 -8.833 19.903 17.903 1.00 2.93 H new ATOM 0 HA LEU A 64 -6.584 21.512 17.090 1.00 2.44 H new ATOM 0 HB2 LEU A 64 -7.302 18.924 18.361 1.00 2.31 H new ATOM 0 HB3 LEU A 64 -5.842 18.787 17.401 1.00 2.31 H new ATOM 0 HG LEU A 64 -5.574 21.252 18.771 1.00 2.40 H new ATOM 0 HD11 LEU A 64 -5.867 20.576 21.145 1.00 2.91 H new ATOM 0 HD12 LEU A 64 -7.417 20.536 20.272 1.00 2.91 H new ATOM 0 HD13 LEU A 64 -6.550 19.020 20.615 1.00 2.91 H new ATOM 0 HD21 LEU A 64 -3.750 20.047 19.958 1.00 2.46 H new ATOM 0 HD22 LEU A 64 -4.435 18.493 19.427 1.00 2.46 H new ATOM 0 HD23 LEU A 64 -3.773 19.629 18.228 1.00 2.46 H new ATOM 972 N VAL A 65 -7.164 18.945 15.093 1.00 2.32 N ATOM 973 CA VAL A 65 -6.926 18.497 13.689 1.00 2.25 C ATOM 974 C VAL A 65 -7.720 19.372 12.714 1.00 2.42 C ATOM 975 O VAL A 65 -7.259 19.674 11.629 1.00 2.24 O ATOM 976 CB VAL A 65 -7.368 17.027 13.635 1.00 2.58 C ATOM 977 CG1 VAL A 65 -6.521 16.207 14.612 1.00 2.49 C ATOM 978 CG2 VAL A 65 -8.846 16.890 14.015 1.00 3.03 C ATOM 0 H VAL A 65 -7.660 18.277 15.683 1.00 2.32 H new ATOM 0 HA VAL A 65 -5.880 18.590 13.398 1.00 2.25 H new ATOM 0 HB VAL A 65 -7.231 16.660 12.618 1.00 2.58 H new ATOM 0 HG11 VAL A 65 -6.832 15.163 14.576 1.00 2.49 H new ATOM 0 HG12 VAL A 65 -5.470 16.282 14.334 1.00 2.49 H new ATOM 0 HG13 VAL A 65 -6.657 16.591 15.623 1.00 2.49 H new ATOM 0 HG21 VAL A 65 -9.137 15.841 13.970 1.00 3.03 H new ATOM 0 HG22 VAL A 65 -8.998 17.266 15.027 1.00 3.03 H new ATOM 0 HG23 VAL A 65 -9.456 17.466 13.319 1.00 3.03 H new ATOM 988 N GLN A 66 -8.894 19.815 13.100 1.00 2.80 N ATOM 989 CA GLN A 66 -9.684 20.700 12.192 1.00 3.01 C ATOM 990 C GLN A 66 -8.890 21.982 11.935 1.00 2.70 C ATOM 991 O GLN A 66 -8.715 22.396 10.810 1.00 2.58 O ATOM 992 CB GLN A 66 -10.992 21.002 12.932 1.00 3.50 C ATOM 993 CG GLN A 66 -11.891 21.885 12.056 1.00 3.81 C ATOM 994 CD GLN A 66 -12.431 21.077 10.872 1.00 4.04 C ATOM 995 OE1 GLN A 66 -12.023 21.274 9.742 1.00 3.85 O ATOM 996 NE2 GLN A 66 -13.333 20.164 11.078 1.00 4.58 N ATOM 0 H GLN A 66 -9.334 19.603 13.996 1.00 2.80 H new ATOM 0 HA GLN A 66 -9.888 20.237 11.227 1.00 3.01 H new ATOM 0 HB2 GLN A 66 -11.506 20.072 13.176 1.00 3.50 H new ATOM 0 HB3 GLN A 66 -10.779 21.506 13.875 1.00 3.50 H new ATOM 0 HG2 GLN A 66 -12.719 22.275 12.648 1.00 3.81 H new ATOM 0 HG3 GLN A 66 -11.327 22.744 11.693 1.00 3.81 H new ATOM 0 HE21 GLN A 66 -13.680 19.993 12.022 1.00 4.58 H new ATOM 0 HE22 GLN A 66 -13.694 19.618 10.296 1.00 4.58 H new ATOM 1005 N TYR A 67 -8.384 22.588 12.974 1.00 2.64 N ATOM 1006 CA TYR A 67 -7.565 23.827 12.806 1.00 2.45 C ATOM 1007 C TYR A 67 -6.275 23.473 12.073 1.00 1.94 C ATOM 1008 O TYR A 67 -5.889 24.119 11.113 1.00 1.80 O ATOM 1009 CB TYR A 67 -7.252 24.312 14.226 1.00 2.63 C ATOM 1010 CG TYR A 67 -7.799 25.698 14.428 1.00 3.02 C ATOM 1011 CD1 TYR A 67 -7.290 26.767 13.681 1.00 3.51 C ATOM 1012 CD2 TYR A 67 -8.804 25.914 15.372 1.00 3.50 C ATOM 1013 CE1 TYR A 67 -7.791 28.056 13.884 1.00 4.17 C ATOM 1014 CE2 TYR A 67 -9.306 27.202 15.572 1.00 4.21 C ATOM 1015 CZ TYR A 67 -8.796 28.271 14.827 1.00 4.44 C ATOM 1016 OH TYR A 67 -9.291 29.539 15.025 1.00 5.29 O ATOM 0 H TYR A 67 -8.502 22.278 13.939 1.00 2.64 H new ATOM 0 HA TYR A 67 -8.082 24.595 12.231 1.00 2.45 H new ATOM 0 HB2 TYR A 67 -7.688 23.630 14.956 1.00 2.63 H new ATOM 0 HB3 TYR A 67 -6.175 24.310 14.391 1.00 2.63 H new ATOM 0 HD1 TYR A 67 -6.513 26.596 12.951 1.00 3.51 H new ATOM 0 HD2 TYR A 67 -9.193 25.087 15.947 1.00 3.50 H new ATOM 0 HE1 TYR A 67 -7.400 28.884 13.311 1.00 4.17 H new ATOM 0 HE2 TYR A 67 -10.086 27.372 16.300 1.00 4.21 H new ATOM 0 HH TYR A 67 -9.986 29.515 15.715 1.00 5.29 H new ATOM 1026 N SER A 68 -5.616 22.437 12.526 1.00 1.73 N ATOM 1027 CA SER A 68 -4.337 21.993 11.880 1.00 1.30 C ATOM 1028 C SER A 68 -4.532 21.731 10.385 1.00 1.27 C ATOM 1029 O SER A 68 -3.626 21.917 9.603 1.00 1.08 O ATOM 1030 CB SER A 68 -3.949 20.699 12.592 1.00 1.27 C ATOM 1031 OG SER A 68 -2.569 20.751 12.911 1.00 1.04 O ATOM 0 H SER A 68 -5.910 21.873 13.323 1.00 1.73 H new ATOM 0 HA SER A 68 -3.567 22.760 11.965 1.00 1.30 H new ATOM 0 HB2 SER A 68 -4.542 20.574 13.498 1.00 1.27 H new ATOM 0 HB3 SER A 68 -4.157 19.840 11.954 1.00 1.27 H new ATOM 0 HG SER A 68 -2.375 21.583 13.391 1.00 1.04 H new ATOM 1037 N ALA A 69 -5.702 21.313 9.977 1.00 1.64 N ATOM 1038 CA ALA A 69 -5.936 21.061 8.524 1.00 1.76 C ATOM 1039 C ALA A 69 -6.514 22.317 7.865 1.00 1.76 C ATOM 1040 O ALA A 69 -6.055 22.753 6.830 1.00 1.64 O ATOM 1041 CB ALA A 69 -6.938 19.904 8.470 1.00 2.26 C ATOM 0 H ALA A 69 -6.502 21.136 10.584 1.00 1.64 H new ATOM 0 HA ALA A 69 -5.017 20.816 7.991 1.00 1.76 H new ATOM 0 HB1 ALA A 69 -7.159 19.662 7.430 1.00 2.26 H new ATOM 0 HB2 ALA A 69 -6.512 19.030 8.963 1.00 2.26 H new ATOM 0 HB3 ALA A 69 -7.857 20.195 8.978 1.00 2.26 H new ATOM 1047 N LYS A 70 -7.516 22.896 8.468 1.00 1.98 N ATOM 1048 CA LYS A 70 -8.157 24.128 7.898 1.00 2.11 C ATOM 1049 C LYS A 70 -7.153 25.270 7.763 1.00 1.85 C ATOM 1050 O LYS A 70 -7.033 25.869 6.716 1.00 1.81 O ATOM 1051 CB LYS A 70 -9.256 24.520 8.888 1.00 2.50 C ATOM 1052 CG LYS A 70 -10.389 23.496 8.842 1.00 2.83 C ATOM 1053 CD LYS A 70 -11.065 23.512 7.463 1.00 3.00 C ATOM 1054 CE LYS A 70 -10.873 22.154 6.778 1.00 3.19 C ATOM 1055 NZ LYS A 70 -11.962 21.288 7.322 1.00 3.75 N ATOM 0 H LYS A 70 -7.927 22.568 9.342 1.00 1.98 H new ATOM 0 HA LYS A 70 -8.547 23.933 6.899 1.00 2.11 H new ATOM 0 HB2 LYS A 70 -8.846 24.576 9.896 1.00 2.50 H new ATOM 0 HB3 LYS A 70 -9.640 25.511 8.645 1.00 2.50 H new ATOM 0 HG2 LYS A 70 -9.998 22.500 9.051 1.00 2.83 H new ATOM 0 HG3 LYS A 70 -11.122 23.720 9.617 1.00 2.83 H new ATOM 0 HD2 LYS A 70 -12.128 23.729 7.571 1.00 3.00 H new ATOM 0 HD3 LYS A 70 -10.639 24.304 6.847 1.00 3.00 H new ATOM 0 HE2 LYS A 70 -10.946 22.245 5.694 1.00 3.19 H new ATOM 0 HE3 LYS A 70 -9.890 21.737 6.998 1.00 3.19 H new ATOM 0 HZ1 LYS A 70 -11.886 20.335 6.912 1.00 3.75 H new ATOM 0 HZ2 LYS A 70 -11.873 21.228 8.356 1.00 3.75 H new ATOM 0 HZ3 LYS A 70 -12.886 21.697 7.077 1.00 3.75 H new ATOM 1069 N GLY A 71 -6.446 25.573 8.817 1.00 1.75 N ATOM 1070 CA GLY A 71 -5.439 26.690 8.776 1.00 1.69 C ATOM 1071 C GLY A 71 -4.639 26.630 7.470 1.00 1.44 C ATOM 1072 O GLY A 71 -4.717 27.536 6.658 1.00 1.56 O ATOM 0 H GLY A 71 -6.518 25.095 9.715 1.00 1.75 H new ATOM 0 HA2 GLY A 71 -5.947 27.651 8.857 1.00 1.69 H new ATOM 0 HA3 GLY A 71 -4.764 26.613 9.629 1.00 1.69 H new ATOM 1076 N PRO A 72 -3.908 25.553 7.293 1.00 1.19 N ATOM 1077 CA PRO A 72 -3.110 25.376 6.054 1.00 1.13 C ATOM 1078 C PRO A 72 -4.035 25.225 4.837 1.00 1.18 C ATOM 1079 O PRO A 72 -3.765 25.780 3.794 1.00 1.24 O ATOM 1080 CB PRO A 72 -2.304 24.106 6.318 1.00 1.14 C ATOM 1081 CG PRO A 72 -3.097 23.367 7.340 1.00 1.10 C ATOM 1082 CD PRO A 72 -3.753 24.411 8.204 1.00 1.12 C ATOM 0 HA PRO A 72 -2.468 26.227 5.828 1.00 1.13 H new ATOM 0 HB2 PRO A 72 -2.182 23.517 5.409 1.00 1.14 H new ATOM 0 HB3 PRO A 72 -1.304 24.339 6.684 1.00 1.14 H new ATOM 0 HG2 PRO A 72 -3.844 22.730 6.866 1.00 1.10 H new ATOM 0 HG3 PRO A 72 -2.455 22.718 7.935 1.00 1.10 H new ATOM 0 HD2 PRO A 72 -4.714 24.069 8.588 1.00 1.12 H new ATOM 0 HD3 PRO A 72 -3.137 24.665 9.066 1.00 1.12 H new ATOM 1090 N CYS A 73 -5.131 24.506 4.952 1.00 1.31 N ATOM 1091 CA CYS A 73 -6.048 24.372 3.771 1.00 1.51 C ATOM 1092 C CYS A 73 -6.594 25.748 3.380 1.00 1.54 C ATOM 1093 O CYS A 73 -6.587 26.127 2.220 1.00 1.54 O ATOM 1094 CB CYS A 73 -7.188 23.447 4.207 1.00 1.85 C ATOM 1095 SG CYS A 73 -7.703 22.432 2.802 1.00 2.31 S ATOM 0 H CYS A 73 -5.426 24.015 5.796 1.00 1.31 H new ATOM 0 HA CYS A 73 -5.527 23.964 2.904 1.00 1.51 H new ATOM 0 HB2 CYS A 73 -6.861 22.811 5.030 1.00 1.85 H new ATOM 0 HB3 CYS A 73 -8.029 24.035 4.573 1.00 1.85 H new ATOM 0 HG CYS A 73 -8.669 21.643 3.168 1.00 2.31 H new ATOM 1101 N VAL A 74 -7.039 26.505 4.346 1.00 1.68 N ATOM 1102 CA VAL A 74 -7.564 27.872 4.053 1.00 1.92 C ATOM 1103 C VAL A 74 -6.423 28.730 3.525 1.00 1.81 C ATOM 1104 O VAL A 74 -6.536 29.363 2.496 1.00 1.91 O ATOM 1105 CB VAL A 74 -8.089 28.409 5.395 1.00 2.23 C ATOM 1106 CG1 VAL A 74 -8.336 29.919 5.303 1.00 2.57 C ATOM 1107 CG2 VAL A 74 -9.406 27.710 5.748 1.00 2.51 C ATOM 0 H VAL A 74 -7.062 26.236 5.330 1.00 1.68 H new ATOM 0 HA VAL A 74 -8.354 27.875 3.302 1.00 1.92 H new ATOM 0 HB VAL A 74 -7.344 28.212 6.166 1.00 2.23 H new ATOM 0 HG11 VAL A 74 -8.707 30.286 6.260 1.00 2.57 H new ATOM 0 HG12 VAL A 74 -7.403 30.426 5.057 1.00 2.57 H new ATOM 0 HG13 VAL A 74 -9.074 30.120 4.526 1.00 2.57 H new ATOM 0 HG21 VAL A 74 -9.777 28.092 6.699 1.00 2.51 H new ATOM 0 HG22 VAL A 74 -10.142 27.904 4.968 1.00 2.51 H new ATOM 0 HG23 VAL A 74 -9.238 26.636 5.829 1.00 2.51 H new ATOM 1117 N GLU A 75 -5.322 28.729 4.219 1.00 1.71 N ATOM 1118 CA GLU A 75 -4.138 29.521 3.773 1.00 1.85 C ATOM 1119 C GLU A 75 -3.732 29.107 2.356 1.00 1.73 C ATOM 1120 O GLU A 75 -3.397 29.934 1.529 1.00 1.96 O ATOM 1121 CB GLU A 75 -3.040 29.173 4.781 1.00 1.87 C ATOM 1122 CG GLU A 75 -1.740 29.899 4.411 1.00 2.35 C ATOM 1123 CD GLU A 75 -1.911 31.405 4.605 1.00 2.82 C ATOM 1124 OE1 GLU A 75 -2.420 32.050 3.698 1.00 2.68 O ATOM 1125 OE2 GLU A 75 -1.511 31.898 5.639 1.00 3.53 O ATOM 0 H GLU A 75 -5.188 28.209 5.086 1.00 1.71 H new ATOM 0 HA GLU A 75 -4.335 30.592 3.740 1.00 1.85 H new ATOM 0 HB2 GLU A 75 -3.353 29.459 5.785 1.00 1.87 H new ATOM 0 HB3 GLU A 75 -2.874 28.096 4.793 1.00 1.87 H new ATOM 0 HG2 GLU A 75 -0.921 29.535 5.031 1.00 2.35 H new ATOM 0 HG3 GLU A 75 -1.476 29.685 3.375 1.00 2.35 H new ATOM 1132 N ARG A 76 -3.771 27.835 2.071 1.00 1.50 N ATOM 1133 CA ARG A 76 -3.391 27.355 0.709 1.00 1.58 C ATOM 1134 C ARG A 76 -4.362 27.908 -0.337 1.00 1.58 C ATOM 1135 O ARG A 76 -3.947 28.508 -1.308 1.00 1.73 O ATOM 1136 CB ARG A 76 -3.469 25.825 0.760 1.00 1.59 C ATOM 1137 CG ARG A 76 -2.281 25.224 -0.003 1.00 1.95 C ATOM 1138 CD ARG A 76 -2.516 25.345 -1.514 1.00 1.93 C ATOM 1139 NE ARG A 76 -1.766 26.573 -1.919 1.00 2.24 N ATOM 1140 CZ ARG A 76 -0.997 26.565 -2.965 1.00 2.13 C ATOM 1141 NH1 ARG A 76 0.250 26.238 -2.849 1.00 2.57 N ATOM 1142 NH2 ARG A 76 -1.473 26.895 -4.120 1.00 1.99 N ATOM 0 H ARG A 76 -4.051 27.103 2.724 1.00 1.50 H new ATOM 0 HA ARG A 76 -2.392 27.690 0.430 1.00 1.58 H new ATOM 0 HB2 ARG A 76 -3.459 25.484 1.795 1.00 1.59 H new ATOM 0 HB3 ARG A 76 -4.407 25.484 0.321 1.00 1.59 H new ATOM 0 HG2 ARG A 76 -1.362 25.740 0.273 1.00 1.95 H new ATOM 0 HG3 ARG A 76 -2.154 24.177 0.271 1.00 1.95 H new ATOM 0 HD2 ARG A 76 -2.150 24.465 -2.043 1.00 1.93 H new ATOM 0 HD3 ARG A 76 -3.578 25.436 -1.743 1.00 1.93 H new ATOM 0 HE ARG A 76 -1.859 27.426 -1.368 1.00 2.24 H new ATOM 0 HH11 ARG A 76 0.628 25.987 -1.936 1.00 2.57 H new ATOM 0 HH12 ARG A 76 0.854 26.232 -3.671 1.00 2.57 H new ATOM 0 HH21 ARG A 76 -2.453 27.162 -4.210 1.00 1.99 H new ATOM 0 HH22 ARG A 76 -0.868 26.889 -4.942 1.00 1.99 H new ATOM 1156 N LYS A 77 -5.650 27.722 -0.148 1.00 1.53 N ATOM 1157 CA LYS A 77 -6.624 28.261 -1.150 1.00 1.67 C ATOM 1158 C LYS A 77 -6.594 29.797 -1.130 1.00 1.84 C ATOM 1159 O LYS A 77 -6.760 30.439 -2.151 1.00 1.96 O ATOM 1160 CB LYS A 77 -8.002 27.693 -0.766 1.00 1.83 C ATOM 1161 CG LYS A 77 -8.533 28.346 0.512 1.00 2.10 C ATOM 1162 CD LYS A 77 -9.889 28.993 0.223 1.00 2.51 C ATOM 1163 CE LYS A 77 -10.101 30.161 1.191 1.00 2.78 C ATOM 1164 NZ LYS A 77 -10.593 31.299 0.354 1.00 3.21 N ATOM 0 H LYS A 77 -6.062 27.228 0.644 1.00 1.53 H new ATOM 0 HA LYS A 77 -6.377 27.965 -2.169 1.00 1.67 H new ATOM 0 HB2 LYS A 77 -8.706 27.858 -1.581 1.00 1.83 H new ATOM 0 HB3 LYS A 77 -7.927 26.615 -0.623 1.00 1.83 H new ATOM 0 HG2 LYS A 77 -8.634 27.600 1.300 1.00 2.10 H new ATOM 0 HG3 LYS A 77 -7.828 29.096 0.871 1.00 2.10 H new ATOM 0 HD2 LYS A 77 -9.925 29.347 -0.807 1.00 2.51 H new ATOM 0 HD3 LYS A 77 -10.688 28.260 0.337 1.00 2.51 H new ATOM 0 HE2 LYS A 77 -10.825 29.902 1.964 1.00 2.78 H new ATOM 0 HE3 LYS A 77 -9.172 30.422 1.699 1.00 2.78 H new ATOM 0 HZ1 LYS A 77 -10.757 32.129 0.959 1.00 3.21 H new ATOM 0 HZ2 LYS A 77 -9.882 31.532 -0.368 1.00 3.21 H new ATOM 0 HZ3 LYS A 77 -11.483 31.028 -0.111 1.00 3.21 H new ATOM 1178 N ALA A 78 -6.332 30.386 0.014 1.00 1.93 N ATOM 1179 CA ALA A 78 -6.238 31.877 0.084 1.00 2.25 C ATOM 1180 C ALA A 78 -5.021 32.315 -0.719 1.00 2.32 C ATOM 1181 O ALA A 78 -5.089 33.205 -1.537 1.00 2.56 O ATOM 1182 CB ALA A 78 -6.072 32.227 1.569 1.00 2.43 C ATOM 0 H ALA A 78 -6.180 29.900 0.898 1.00 1.93 H new ATOM 0 HA ALA A 78 -7.116 32.377 -0.325 1.00 2.25 H new ATOM 0 HB1 ALA A 78 -5.998 33.309 1.682 1.00 2.43 H new ATOM 0 HB2 ALA A 78 -6.934 31.862 2.127 1.00 2.43 H new ATOM 0 HB3 ALA A 78 -5.166 31.759 1.954 1.00 2.43 H new ATOM 1188 N LYS A 79 -3.915 31.659 -0.512 1.00 2.20 N ATOM 1189 CA LYS A 79 -2.685 31.993 -1.285 1.00 2.42 C ATOM 1190 C LYS A 79 -2.910 31.639 -2.763 1.00 2.37 C ATOM 1191 O LYS A 79 -2.531 32.376 -3.648 1.00 2.64 O ATOM 1192 CB LYS A 79 -1.577 31.129 -0.671 1.00 2.40 C ATOM 1193 CG LYS A 79 -1.250 31.636 0.738 1.00 2.55 C ATOM 1194 CD LYS A 79 -0.346 32.867 0.641 1.00 2.99 C ATOM 1195 CE LYS A 79 -0.978 34.033 1.402 1.00 3.21 C ATOM 1196 NZ LYS A 79 -0.774 33.717 2.847 1.00 3.45 N ATOM 0 H LYS A 79 -3.808 30.902 0.163 1.00 2.20 H new ATOM 0 HA LYS A 79 -2.426 33.051 -1.240 1.00 2.42 H new ATOM 0 HB2 LYS A 79 -1.896 30.087 -0.629 1.00 2.40 H new ATOM 0 HB3 LYS A 79 -0.685 31.164 -1.297 1.00 2.40 H new ATOM 0 HG2 LYS A 79 -2.169 31.887 1.268 1.00 2.55 H new ATOM 0 HG3 LYS A 79 -0.755 30.853 1.312 1.00 2.55 H new ATOM 0 HD2 LYS A 79 0.637 32.641 1.054 1.00 2.99 H new ATOM 0 HD3 LYS A 79 -0.198 33.140 -0.404 1.00 2.99 H new ATOM 0 HE2 LYS A 79 -0.506 34.979 1.136 1.00 3.21 H new ATOM 0 HE3 LYS A 79 -2.038 34.128 1.166 1.00 3.21 H new ATOM 0 HZ1 LYS A 79 -0.509 34.583 3.358 1.00 3.45 H new ATOM 0 HZ2 LYS A 79 -1.655 33.335 3.247 1.00 3.45 H new ATOM 0 HZ3 LYS A 79 -0.016 33.012 2.944 1.00 3.45 H new ATOM 1210 N LEU A 80 -3.543 30.521 -3.031 1.00 2.09 N ATOM 1211 CA LEU A 80 -3.813 30.119 -4.448 1.00 2.12 C ATOM 1212 C LEU A 80 -4.659 31.183 -5.156 1.00 2.21 C ATOM 1213 O LEU A 80 -4.348 31.618 -6.248 1.00 2.38 O ATOM 1214 CB LEU A 80 -4.599 28.806 -4.350 1.00 1.93 C ATOM 1215 CG LEU A 80 -4.948 28.319 -5.761 1.00 2.16 C ATOM 1216 CD1 LEU A 80 -4.107 27.092 -6.103 1.00 2.48 C ATOM 1217 CD2 LEU A 80 -6.431 27.948 -5.828 1.00 2.38 C ATOM 0 H LEU A 80 -3.885 29.868 -2.326 1.00 2.09 H new ATOM 0 HA LEU A 80 -2.891 30.008 -5.019 1.00 2.12 H new ATOM 0 HB2 LEU A 80 -4.008 28.053 -3.829 1.00 1.93 H new ATOM 0 HB3 LEU A 80 -5.509 28.956 -3.769 1.00 1.93 H new ATOM 0 HG LEU A 80 -4.740 29.116 -6.475 1.00 2.16 H new ATOM 0 HD11 LEU A 80 -4.357 26.748 -7.107 1.00 2.48 H new ATOM 0 HD12 LEU A 80 -3.049 27.353 -6.062 1.00 2.48 H new ATOM 0 HD13 LEU A 80 -4.313 26.298 -5.385 1.00 2.48 H new ATOM 0 HD21 LEU A 80 -6.675 27.602 -6.833 1.00 2.38 H new ATOM 0 HD22 LEU A 80 -6.640 27.154 -5.111 1.00 2.38 H new ATOM 0 HD23 LEU A 80 -7.036 28.822 -5.588 1.00 2.38 H new ATOM 1229 N MET A 81 -5.727 31.588 -4.534 1.00 2.20 N ATOM 1230 CA MET A 81 -6.625 32.620 -5.142 1.00 2.42 C ATOM 1231 C MET A 81 -5.993 34.012 -5.034 1.00 2.76 C ATOM 1232 O MET A 81 -5.875 34.732 -6.006 1.00 3.01 O ATOM 1233 CB MET A 81 -7.905 32.551 -4.306 1.00 2.49 C ATOM 1234 CG MET A 81 -9.106 32.264 -5.205 1.00 2.84 C ATOM 1235 SD MET A 81 -10.611 32.308 -4.201 1.00 3.21 S ATOM 1236 CE MET A 81 -11.565 33.423 -5.258 1.00 3.90 C ATOM 0 H MET A 81 -6.024 31.248 -3.620 1.00 2.20 H new ATOM 0 HA MET A 81 -6.807 32.440 -6.201 1.00 2.42 H new ATOM 0 HB2 MET A 81 -7.813 31.771 -3.550 1.00 2.49 H new ATOM 0 HB3 MET A 81 -8.054 33.492 -3.777 1.00 2.49 H new ATOM 0 HG2 MET A 81 -9.164 33.003 -6.004 1.00 2.84 H new ATOM 0 HG3 MET A 81 -8.997 31.289 -5.680 1.00 2.84 H new ATOM 0 HE1 MET A 81 -12.548 33.590 -4.817 1.00 3.90 H new ATOM 0 HE2 MET A 81 -11.042 34.375 -5.349 1.00 3.90 H new ATOM 0 HE3 MET A 81 -11.681 32.977 -6.246 1.00 3.90 H new ATOM 1246 N THR A 82 -5.596 34.394 -3.850 1.00 2.84 N ATOM 1247 CA THR A 82 -4.977 35.737 -3.653 1.00 3.27 C ATOM 1248 C THR A 82 -3.455 35.605 -3.555 1.00 3.37 C ATOM 1249 O THR A 82 -2.952 34.914 -2.689 1.00 3.24 O ATOM 1250 CB THR A 82 -5.542 36.273 -2.324 1.00 3.48 C ATOM 1251 OG1 THR A 82 -6.695 35.531 -1.932 1.00 3.97 O ATOM 1252 CG2 THR A 82 -5.927 37.740 -2.488 1.00 3.38 C ATOM 0 H THR A 82 -5.675 33.829 -3.004 1.00 2.84 H new ATOM 0 HA THR A 82 -5.199 36.405 -4.485 1.00 3.27 H new ATOM 0 HB THR A 82 -4.775 36.170 -1.556 1.00 3.48 H new ATOM 0 HG1 THR A 82 -6.418 34.665 -1.567 1.00 3.97 H new ATOM 0 HG21 THR A 82 -6.327 38.119 -1.547 1.00 3.38 H new ATOM 0 HG22 THR A 82 -5.046 38.318 -2.767 1.00 3.38 H new ATOM 0 HG23 THR A 82 -6.684 37.833 -3.267 1.00 3.38 H new ATOM 1260 N PRO A 83 -2.759 36.298 -4.427 1.00 3.67 N ATOM 1261 CA PRO A 83 -1.264 36.271 -4.419 1.00 3.91 C ATOM 1262 C PRO A 83 -0.678 37.023 -3.207 1.00 4.23 C ATOM 1263 O PRO A 83 0.481 37.402 -3.208 1.00 4.56 O ATOM 1264 CB PRO A 83 -0.889 36.983 -5.710 1.00 4.20 C ATOM 1265 CG PRO A 83 -2.059 37.865 -6.011 1.00 4.26 C ATOM 1266 CD PRO A 83 -3.282 37.159 -5.494 1.00 3.88 C ATOM 0 HA PRO A 83 -0.875 35.255 -4.348 1.00 3.91 H new ATOM 0 HB2 PRO A 83 0.025 37.565 -5.590 1.00 4.20 H new ATOM 0 HB3 PRO A 83 -0.711 36.272 -6.517 1.00 4.20 H new ATOM 0 HG2 PRO A 83 -1.943 38.837 -5.532 1.00 4.26 H new ATOM 0 HG3 PRO A 83 -2.141 38.045 -7.083 1.00 4.26 H new ATOM 0 HD2 PRO A 83 -4.021 37.864 -5.114 1.00 3.88 H new ATOM 0 HD3 PRO A 83 -3.769 36.577 -6.276 1.00 3.88 H new ATOM 1274 N ASN A 84 -1.453 37.227 -2.171 1.00 4.19 N ATOM 1275 CA ASN A 84 -0.947 37.935 -0.950 1.00 4.53 C ATOM 1276 C ASN A 84 0.053 37.046 -0.185 1.00 4.42 C ATOM 1277 O ASN A 84 -0.015 36.920 1.025 1.00 4.40 O ATOM 1278 CB ASN A 84 -2.208 38.165 -0.104 1.00 4.53 C ATOM 1279 CG ASN A 84 -2.475 39.658 0.034 1.00 4.84 C ATOM 1280 OD1 ASN A 84 -3.267 40.214 -0.694 1.00 5.10 O ATOM 1281 ND2 ASN A 84 -1.844 40.335 0.944 1.00 5.00 N ATOM 0 H ASN A 84 -2.427 36.930 -2.117 1.00 4.19 H new ATOM 0 HA ASN A 84 -0.423 38.860 -1.190 1.00 4.53 H new ATOM 0 HB2 ASN A 84 -3.063 37.675 -0.570 1.00 4.53 H new ATOM 0 HB3 ASN A 84 -2.082 37.717 0.882 1.00 4.53 H new ATOM 0 HD21 ASN A 84 -2.015 41.335 1.046 1.00 5.00 H new ATOM 0 HD22 ASN A 84 -1.177 39.867 1.557 1.00 5.00 H new ATOM 1288 N GLY A 85 0.974 36.428 -0.880 1.00 4.42 N ATOM 1289 CA GLY A 85 1.966 35.540 -0.206 1.00 4.40 C ATOM 1290 C GLY A 85 2.470 34.504 -1.214 1.00 4.29 C ATOM 1291 O GLY A 85 1.834 33.488 -1.421 1.00 3.95 O ATOM 0 H GLY A 85 1.081 36.502 -1.892 1.00 4.42 H new ATOM 0 HA2 GLY A 85 2.799 36.129 0.178 1.00 4.40 H new ATOM 0 HA3 GLY A 85 1.507 35.042 0.648 1.00 4.40 H new ATOM 1295 N PRO A 86 3.598 34.802 -1.814 1.00 4.62 N ATOM 1296 CA PRO A 86 4.195 33.881 -2.822 1.00 4.64 C ATOM 1297 C PRO A 86 4.678 32.592 -2.132 1.00 4.52 C ATOM 1298 O PRO A 86 4.301 32.321 -1.007 1.00 4.34 O ATOM 1299 CB PRO A 86 5.350 34.699 -3.405 1.00 5.12 C ATOM 1300 CG PRO A 86 5.700 35.681 -2.333 1.00 5.36 C ATOM 1301 CD PRO A 86 4.417 36.005 -1.616 1.00 5.07 C ATOM 0 HA PRO A 86 3.501 33.553 -3.596 1.00 4.64 H new ATOM 0 HB2 PRO A 86 6.200 34.063 -3.652 1.00 5.12 H new ATOM 0 HB3 PRO A 86 5.053 35.205 -4.324 1.00 5.12 H new ATOM 0 HG2 PRO A 86 6.433 35.260 -1.645 1.00 5.36 H new ATOM 0 HG3 PRO A 86 6.144 36.580 -2.760 1.00 5.36 H new ATOM 0 HD2 PRO A 86 4.588 36.204 -0.558 1.00 5.07 H new ATOM 0 HD3 PRO A 86 3.937 36.890 -2.033 1.00 5.07 H new ATOM 1309 N GLU A 87 5.471 31.779 -2.799 1.00 4.68 N ATOM 1310 CA GLU A 87 5.946 30.484 -2.186 1.00 4.69 C ATOM 1311 C GLU A 87 4.768 29.508 -2.062 1.00 4.26 C ATOM 1312 O GLU A 87 4.811 28.394 -2.543 1.00 4.27 O ATOM 1313 CB GLU A 87 6.509 30.857 -0.805 1.00 4.85 C ATOM 1314 CG GLU A 87 7.406 29.729 -0.280 1.00 5.16 C ATOM 1315 CD GLU A 87 7.305 29.665 1.246 1.00 5.40 C ATOM 1316 OE1 GLU A 87 7.915 30.496 1.895 1.00 5.95 O ATOM 1317 OE2 GLU A 87 6.619 28.784 1.737 1.00 5.29 O ATOM 0 H GLU A 87 5.812 31.955 -3.744 1.00 4.68 H new ATOM 0 HA GLU A 87 6.705 29.991 -2.794 1.00 4.69 H new ATOM 0 HB2 GLU A 87 7.079 31.783 -0.874 1.00 4.85 H new ATOM 0 HB3 GLU A 87 5.692 31.037 -0.107 1.00 4.85 H new ATOM 0 HG2 GLU A 87 7.103 28.777 -0.715 1.00 5.16 H new ATOM 0 HG3 GLU A 87 8.440 29.902 -0.580 1.00 5.16 H new ATOM 1324 N VAL A 88 3.713 29.942 -1.436 1.00 3.94 N ATOM 1325 CA VAL A 88 2.503 29.088 -1.278 1.00 3.54 C ATOM 1326 C VAL A 88 1.391 29.527 -2.253 1.00 3.44 C ATOM 1327 O VAL A 88 0.341 28.919 -2.309 1.00 3.31 O ATOM 1328 CB VAL A 88 2.065 29.274 0.178 1.00 3.29 C ATOM 1329 CG1 VAL A 88 3.100 28.634 1.105 1.00 3.44 C ATOM 1330 CG2 VAL A 88 1.935 30.764 0.515 1.00 3.40 C ATOM 0 H VAL A 88 3.636 30.870 -1.019 1.00 3.94 H new ATOM 0 HA VAL A 88 2.711 28.042 -1.505 1.00 3.54 H new ATOM 0 HB VAL A 88 1.095 28.796 0.316 1.00 3.29 H new ATOM 0 HG11 VAL A 88 2.790 28.765 2.142 1.00 3.44 H new ATOM 0 HG12 VAL A 88 3.180 27.570 0.882 1.00 3.44 H new ATOM 0 HG13 VAL A 88 4.069 29.110 0.953 1.00 3.44 H new ATOM 0 HG21 VAL A 88 1.623 30.876 1.553 1.00 3.40 H new ATOM 0 HG22 VAL A 88 2.897 31.255 0.370 1.00 3.40 H new ATOM 0 HG23 VAL A 88 1.192 31.221 -0.139 1.00 3.40 H new ATOM 1340 N HIS A 89 1.613 30.563 -3.033 1.00 3.57 N ATOM 1341 CA HIS A 89 0.566 30.998 -4.010 1.00 3.57 C ATOM 1342 C HIS A 89 0.701 30.163 -5.292 1.00 3.32 C ATOM 1343 O HIS A 89 -0.276 29.681 -5.837 1.00 3.28 O ATOM 1344 CB HIS A 89 0.851 32.482 -4.277 1.00 3.51 C ATOM 1345 CG HIS A 89 0.109 32.939 -5.505 1.00 3.52 C ATOM 1346 ND1 HIS A 89 -1.269 33.056 -5.532 1.00 3.20 N ATOM 1347 CD2 HIS A 89 0.541 33.316 -6.752 1.00 3.91 C ATOM 1348 CE1 HIS A 89 -1.618 33.490 -6.755 1.00 3.39 C ATOM 1349 NE2 HIS A 89 -0.552 33.664 -7.540 1.00 3.82 N ATOM 0 H HIS A 89 2.467 31.120 -3.034 1.00 3.57 H new ATOM 0 HA HIS A 89 -0.449 30.859 -3.639 1.00 3.57 H new ATOM 0 HB2 HIS A 89 0.548 33.079 -3.417 1.00 3.51 H new ATOM 0 HB3 HIS A 89 1.922 32.636 -4.411 1.00 3.51 H new ATOM 0 HD1 HIS A 89 -1.906 32.850 -4.762 1.00 3.20 H new ATOM 0 HD2 HIS A 89 1.572 33.339 -7.073 1.00 3.91 H new ATOM 0 HE1 HIS A 89 -2.636 33.675 -7.065 1.00 3.39 H new ATOM 1357 N GLY A 90 1.911 29.970 -5.756 1.00 3.43 N ATOM 1358 CA GLY A 90 2.133 29.150 -6.980 1.00 3.41 C ATOM 1359 C GLY A 90 2.650 27.773 -6.562 1.00 3.63 C ATOM 1360 O GLY A 90 3.796 27.695 -6.151 1.00 3.79 O ATOM 1361 OXT GLY A 90 1.889 26.825 -6.648 1.00 3.96 O ATOM 0 H GLY A 90 2.758 30.349 -5.334 1.00 3.43 H new ATOM 0 HA2 GLY A 90 1.204 29.050 -7.541 1.00 3.41 H new ATOM 0 HA3 GLY A 90 2.852 29.640 -7.637 1.00 3.41 H new TER 1365 GLY A 90