USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 14 SER OG : rot 42:sc= 0.45 USER MOD Set 1.2: A 35 TYR OH : rot -27:sc= 0.00402 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.012 USER MOD Single : A 3 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -115:sc= 1.48 (180deg=-0.728) USER MOD Single : A 19 ASN : amide:sc= -0.233 K(o=-0.23,f=-5.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.79) USER MOD Single : A 30 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.29) USER MOD Single : A 38 MET CE :methyl -130:sc= -1.44 (180deg=-1.55) USER MOD Single : A 40 SER OG : rot 82:sc= 1.12 USER MOD Single : A 42 CYS SG : rot -65:sc= -0.666 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 58 TYR OH : rot -19:sc= 0.332 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.608 USER MOD Single : A 82 TYR OH : rot -139:sc= 1.55 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -159:sc= 0.438 USER MOD Single : A 96 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 98 MET CE :methyl 153:sc= -0.22 (180deg=-1) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.160 8.295 -7.233 1.00 0.00 N ATOM 2 CA GLY A 1 -23.583 8.424 -5.837 1.00 0.00 C ATOM 3 C GLY A 1 -23.571 7.056 -5.197 1.00 0.00 C ATOM 4 O GLY A 1 -24.326 6.179 -5.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.164 9.232 -7.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.200 7.897 -7.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.815 7.664 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.915 9.098 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.582 8.857 -5.784 1.00 0.00 H new ATOM 8 N SER A 2 -22.700 6.856 -4.208 1.00 0.00 N ATOM 9 CA SER A 2 -22.421 5.549 -3.626 1.00 0.00 C ATOM 10 C SER A 2 -22.099 5.713 -2.133 1.00 0.00 C ATOM 11 O SER A 2 -22.355 6.774 -1.556 1.00 0.00 O ATOM 12 CB SER A 2 -21.277 4.895 -4.410 1.00 0.00 C ATOM 13 OG SER A 2 -21.543 4.831 -5.798 1.00 0.00 O ATOM 0 H SER A 2 -22.161 7.611 -3.784 1.00 0.00 H new ATOM 0 HA SER A 2 -23.289 4.894 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.358 5.458 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.107 3.888 -4.028 1.00 0.00 H new ATOM 0 HG SER A 2 -20.787 4.409 -6.257 1.00 0.00 H new ATOM 19 N HIS A 3 -21.582 4.673 -1.483 1.00 0.00 N ATOM 20 CA HIS A 3 -21.220 4.638 -0.071 1.00 0.00 C ATOM 21 C HIS A 3 -19.856 3.956 0.058 1.00 0.00 C ATOM 22 O HIS A 3 -19.649 3.033 0.850 1.00 0.00 O ATOM 23 CB HIS A 3 -22.346 3.951 0.715 1.00 0.00 C ATOM 24 CG HIS A 3 -22.102 3.881 2.199 1.00 0.00 C ATOM 25 ND1 HIS A 3 -22.048 2.729 2.951 1.00 0.00 N ATOM 26 CD2 HIS A 3 -21.817 4.932 3.022 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.727 3.076 4.209 1.00 0.00 C ATOM 28 NE2 HIS A 3 -21.577 4.410 4.300 1.00 0.00 N ATOM 0 H HIS A 3 -21.395 3.787 -1.953 1.00 0.00 H new ATOM 0 HA HIS A 3 -21.116 5.635 0.356 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -23.279 4.485 0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -22.479 2.940 0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.783 5.974 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -21.607 2.384 5.029 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -21.335 4.939 5.138 1.00 0.00 H new ATOM 36 N GLU A 4 -18.904 4.396 -0.762 1.00 0.00 N ATOM 37 CA GLU A 4 -17.568 3.837 -0.814 1.00 0.00 C ATOM 38 C GLU A 4 -16.580 4.919 -1.256 1.00 0.00 C ATOM 39 O GLU A 4 -16.941 5.856 -1.975 1.00 0.00 O ATOM 40 CB GLU A 4 -17.532 2.605 -1.742 1.00 0.00 C ATOM 41 CG GLU A 4 -18.266 2.782 -3.087 1.00 0.00 C ATOM 42 CD GLU A 4 -19.590 2.000 -3.158 1.00 0.00 C ATOM 43 OE1 GLU A 4 -20.536 2.264 -2.377 1.00 0.00 O ATOM 44 OE2 GLU A 4 -19.715 1.156 -4.073 1.00 0.00 O ATOM 0 H GLU A 4 -19.048 5.164 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.274 3.495 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.491 2.351 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.971 1.758 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.467 3.841 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.613 2.455 -3.896 1.00 0.00 H new ATOM 51 N GLY A 5 -15.318 4.784 -0.850 1.00 0.00 N ATOM 52 CA GLY A 5 -14.245 5.732 -1.129 1.00 0.00 C ATOM 53 C GLY A 5 -13.150 5.745 -0.059 1.00 0.00 C ATOM 54 O GLY A 5 -12.246 6.580 -0.152 1.00 0.00 O ATOM 0 H GLY A 5 -15.006 3.984 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.798 5.489 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.668 6.733 -1.217 1.00 0.00 H new ATOM 58 N GLU A 6 -13.201 4.873 0.956 1.00 0.00 N ATOM 59 CA GLU A 6 -12.096 4.655 1.853 1.00 0.00 C ATOM 60 C GLU A 6 -10.898 4.130 1.013 1.00 0.00 C ATOM 61 O GLU A 6 -11.081 3.329 0.086 1.00 0.00 O ATOM 62 CB GLU A 6 -12.638 3.635 2.864 1.00 0.00 C ATOM 63 CG GLU A 6 -11.739 3.247 4.021 1.00 0.00 C ATOM 64 CD GLU A 6 -11.805 4.145 5.262 1.00 0.00 C ATOM 65 OE1 GLU A 6 -12.877 4.254 5.902 1.00 0.00 O ATOM 66 OE2 GLU A 6 -10.737 4.647 5.685 1.00 0.00 O ATOM 0 H GLU A 6 -14.021 4.304 1.166 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.733 5.539 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.565 4.032 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.895 2.727 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.988 2.229 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.709 3.231 3.664 1.00 0.00 H new ATOM 73 N PRO A 7 -9.660 4.522 1.342 1.00 0.00 N ATOM 74 CA PRO A 7 -8.457 4.263 0.538 1.00 0.00 C ATOM 75 C PRO A 7 -7.912 2.827 0.685 1.00 0.00 C ATOM 76 O PRO A 7 -6.815 2.612 1.210 1.00 0.00 O ATOM 77 CB PRO A 7 -7.457 5.323 1.027 1.00 0.00 C ATOM 78 CG PRO A 7 -7.853 5.427 2.497 1.00 0.00 C ATOM 79 CD PRO A 7 -9.357 5.477 2.392 1.00 0.00 C ATOM 0 HA PRO A 7 -8.663 4.335 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.422 5.006 0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.568 6.271 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.509 4.571 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.444 6.319 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.834 5.202 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.708 6.477 2.137 1.00 0.00 H new ATOM 87 N VAL A 8 -8.661 1.828 0.219 1.00 0.00 N ATOM 88 CA VAL A 8 -8.337 0.421 0.453 1.00 0.00 C ATOM 89 C VAL A 8 -8.172 -0.315 -0.871 1.00 0.00 C ATOM 90 O VAL A 8 -8.935 -0.096 -1.815 1.00 0.00 O ATOM 91 CB VAL A 8 -9.389 -0.231 1.378 1.00 0.00 C ATOM 92 CG1 VAL A 8 -8.892 -1.567 1.956 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.806 0.665 2.553 1.00 0.00 C ATOM 0 H VAL A 8 -9.508 1.971 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.381 0.352 0.971 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.255 -0.393 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.661 -1.993 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.678 -2.259 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.985 -1.397 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.546 0.146 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.932 0.896 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.236 1.591 2.170 1.00 0.00 H new ATOM 103 N VAL A 9 -7.178 -1.202 -0.944 1.00 0.00 N ATOM 104 CA VAL A 9 -6.948 -2.045 -2.106 1.00 0.00 C ATOM 105 C VAL A 9 -8.183 -2.920 -2.378 1.00 0.00 C ATOM 106 O VAL A 9 -8.590 -3.707 -1.522 1.00 0.00 O ATOM 107 CB VAL A 9 -5.638 -2.846 -1.917 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.514 -3.593 -0.581 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.422 -3.836 -3.063 1.00 0.00 C ATOM 0 H VAL A 9 -6.508 -1.352 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.811 -1.436 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.862 -2.081 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.562 -4.122 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.561 -2.879 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.331 -4.309 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.493 -4.383 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.255 -4.538 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.363 -3.293 -4.006 1.00 0.00 H new ATOM 119 N GLY A 10 -8.735 -2.825 -3.591 1.00 0.00 N ATOM 120 CA GLY A 10 -9.851 -3.642 -4.041 1.00 0.00 C ATOM 121 C GLY A 10 -9.791 -3.795 -5.554 1.00 0.00 C ATOM 122 O GLY A 10 -10.658 -3.287 -6.258 1.00 0.00 O ATOM 0 H GLY A 10 -8.408 -2.164 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.814 -4.621 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.794 -3.181 -3.749 1.00 0.00 H new ATOM 126 N MET A 11 -8.762 -4.488 -6.052 1.00 0.00 N ATOM 127 CA MET A 11 -8.393 -4.689 -7.458 1.00 0.00 C ATOM 128 C MET A 11 -8.071 -3.398 -8.207 1.00 0.00 C ATOM 129 O MET A 11 -6.978 -3.299 -8.761 1.00 0.00 O ATOM 130 CB MET A 11 -9.420 -5.554 -8.207 1.00 0.00 C ATOM 131 CG MET A 11 -9.229 -7.041 -7.911 1.00 0.00 C ATOM 132 SD MET A 11 -7.745 -7.768 -8.662 1.00 0.00 S ATOM 133 CE MET A 11 -7.924 -9.456 -8.023 1.00 0.00 C ATOM 0 H MET A 11 -8.110 -4.964 -5.429 1.00 0.00 H new ATOM 0 HA MET A 11 -7.456 -5.245 -7.432 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.428 -5.252 -7.921 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.328 -5.382 -9.279 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.181 -7.181 -6.831 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.105 -7.585 -8.265 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.096 -10.069 -8.378 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.919 -9.435 -6.933 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.865 -9.880 -8.373 1.00 0.00 H new ATOM 143 N ASP A 12 -8.974 -2.420 -8.230 1.00 0.00 N ATOM 144 CA ASP A 12 -8.662 -1.053 -8.628 1.00 0.00 C ATOM 145 C ASP A 12 -7.550 -0.552 -7.707 1.00 0.00 C ATOM 146 O ASP A 12 -7.717 -0.462 -6.485 1.00 0.00 O ATOM 147 CB ASP A 12 -9.895 -0.141 -8.545 1.00 0.00 C ATOM 148 CG ASP A 12 -9.581 1.329 -8.871 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.408 1.683 -9.124 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.532 2.142 -8.803 1.00 0.00 O ATOM 0 H ASP A 12 -9.951 -2.557 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.338 -1.035 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.656 -0.505 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.318 -0.202 -7.542 1.00 0.00 H new ATOM 155 N LYS A 13 -6.385 -0.290 -8.292 1.00 0.00 N ATOM 156 CA LYS A 13 -5.278 0.363 -7.643 1.00 0.00 C ATOM 157 C LYS A 13 -5.203 1.811 -8.136 1.00 0.00 C ATOM 158 O LYS A 13 -4.387 2.092 -9.021 1.00 0.00 O ATOM 159 CB LYS A 13 -3.991 -0.423 -7.960 1.00 0.00 C ATOM 160 CG LYS A 13 -3.855 -1.789 -7.284 1.00 0.00 C ATOM 161 CD LYS A 13 -3.693 -1.707 -5.763 1.00 0.00 C ATOM 162 CE LYS A 13 -3.150 -2.985 -5.107 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.805 -3.388 -5.556 1.00 0.00 N ATOM 0 H LYS A 13 -6.190 -0.539 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.406 0.383 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.933 -0.566 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.136 0.189 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.735 -2.389 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.995 -2.309 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.023 -0.880 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.660 -1.470 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.129 -2.841 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.844 -3.802 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.864 -4.297 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.421 -2.664 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.179 -3.487 -4.731 1.00 0.00 H new ATOM 177 N SER A 14 -5.907 2.736 -7.480 1.00 0.00 N ATOM 178 CA SER A 14 -5.546 4.163 -7.421 1.00 0.00 C ATOM 179 C SER A 14 -6.064 4.879 -6.158 1.00 0.00 C ATOM 180 O SER A 14 -5.560 5.942 -5.807 1.00 0.00 O ATOM 181 CB SER A 14 -6.023 4.884 -8.692 1.00 0.00 C ATOM 182 OG SER A 14 -4.974 4.895 -9.645 1.00 0.00 O ATOM 0 H SER A 14 -6.759 2.516 -6.965 1.00 0.00 H new ATOM 0 HA SER A 14 -4.458 4.206 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.898 4.381 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.325 5.904 -8.454 1.00 0.00 H new ATOM 0 HG SER A 14 -4.534 4.019 -9.657 1.00 0.00 H new ATOM 188 N LEU A 15 -7.006 4.294 -5.408 1.00 0.00 N ATOM 189 CA LEU A 15 -7.799 4.963 -4.365 1.00 0.00 C ATOM 190 C LEU A 15 -7.002 5.451 -3.142 1.00 0.00 C ATOM 191 O LEU A 15 -7.582 6.054 -2.237 1.00 0.00 O ATOM 192 CB LEU A 15 -8.931 4.035 -3.865 1.00 0.00 C ATOM 193 CG LEU A 15 -9.914 3.467 -4.905 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.470 4.546 -5.827 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.335 2.315 -5.729 1.00 0.00 C ATOM 0 H LEU A 15 -7.247 3.308 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.191 5.853 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.469 3.194 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.511 4.585 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.735 3.059 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.158 4.095 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.000 5.293 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.650 5.024 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.083 1.965 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.454 2.661 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.055 1.497 -5.065 1.00 0.00 H new ATOM 207 N PHE A 16 -5.701 5.170 -3.069 1.00 0.00 N ATOM 208 CA PHE A 16 -4.855 5.464 -1.920 1.00 0.00 C ATOM 209 C PHE A 16 -4.628 6.963 -1.816 1.00 0.00 C ATOM 210 O PHE A 16 -4.908 7.546 -0.768 1.00 0.00 O ATOM 211 CB PHE A 16 -3.525 4.699 -1.991 1.00 0.00 C ATOM 212 CG PHE A 16 -3.701 3.258 -2.395 1.00 0.00 C ATOM 213 CD1 PHE A 16 -3.795 2.896 -3.750 1.00 0.00 C ATOM 214 CD2 PHE A 16 -3.863 2.296 -1.397 1.00 0.00 C ATOM 215 CE1 PHE A 16 -4.154 1.584 -4.092 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.172 0.972 -1.738 1.00 0.00 C ATOM 217 CZ PHE A 16 -4.379 0.631 -3.083 1.00 0.00 C ATOM 0 H PHE A 16 -5.195 4.719 -3.831 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.366 5.127 -1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.864 5.193 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.034 4.742 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.592 3.623 -4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.750 2.572 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.258 1.306 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.250 0.218 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.711 -0.363 -3.343 1.00 0.00 H new ATOM 227 N ALA A 17 -4.200 7.606 -2.914 1.00 0.00 N ATOM 228 CA ALA A 17 -3.858 9.029 -2.950 1.00 0.00 C ATOM 229 C ALA A 17 -5.064 9.967 -2.824 1.00 0.00 C ATOM 230 O ALA A 17 -4.943 11.185 -2.965 1.00 0.00 O ATOM 231 CB ALA A 17 -3.056 9.307 -4.231 1.00 0.00 C ATOM 0 H ALA A 17 -4.081 7.141 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.254 9.246 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.793 10.364 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.146 8.706 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.659 9.048 -5.101 1.00 0.00 H new ATOM 237 N GLY A 18 -6.195 9.414 -2.422 1.00 0.00 N ATOM 238 CA GLY A 18 -7.452 10.081 -2.162 1.00 0.00 C ATOM 239 C GLY A 18 -7.802 10.119 -0.680 1.00 0.00 C ATOM 240 O GLY A 18 -8.883 10.605 -0.337 1.00 0.00 O ATOM 0 H GLY A 18 -6.260 8.409 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.404 11.100 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.248 9.572 -2.706 1.00 0.00 H new ATOM 244 N ASN A 19 -6.919 9.651 0.210 1.00 0.00 N ATOM 245 CA ASN A 19 -6.946 10.057 1.607 1.00 0.00 C ATOM 246 C ASN A 19 -5.540 10.440 2.058 1.00 0.00 C ATOM 247 O ASN A 19 -4.543 10.059 1.450 1.00 0.00 O ATOM 248 CB ASN A 19 -7.526 8.955 2.498 1.00 0.00 C ATOM 249 CG ASN A 19 -8.033 9.509 3.825 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.181 10.717 3.991 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.252 8.681 4.828 1.00 0.00 N ATOM 0 H ASN A 19 -6.178 8.989 -0.020 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.598 10.925 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.343 8.458 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.762 8.201 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.543 9.045 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.131 7.677 4.696 1.00 0.00 H new ATOM 258 N THR A 20 -5.470 11.180 3.155 1.00 0.00 N ATOM 259 CA THR A 20 -4.316 11.956 3.598 1.00 0.00 C ATOM 260 C THR A 20 -3.802 11.498 4.969 1.00 0.00 C ATOM 261 O THR A 20 -2.799 12.012 5.450 1.00 0.00 O ATOM 262 CB THR A 20 -4.735 13.448 3.605 1.00 0.00 C ATOM 263 OG1 THR A 20 -6.148 13.650 3.693 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.325 14.117 2.302 1.00 0.00 C ATOM 0 H THR A 20 -6.259 11.261 3.796 1.00 0.00 H new ATOM 0 HA THR A 20 -3.481 11.804 2.914 1.00 0.00 H new ATOM 0 HB THR A 20 -4.243 13.867 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.342 14.611 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.625 15.165 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.243 14.052 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.812 13.615 1.466 1.00 0.00 H new ATOM 272 N VAL A 21 -4.490 10.543 5.596 1.00 0.00 N ATOM 273 CA VAL A 21 -4.427 10.263 7.027 1.00 0.00 C ATOM 274 C VAL A 21 -4.365 8.742 7.277 1.00 0.00 C ATOM 275 O VAL A 21 -4.285 8.308 8.425 1.00 0.00 O ATOM 276 CB VAL A 21 -5.608 11.013 7.703 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.975 10.537 7.198 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.604 11.004 9.234 1.00 0.00 C ATOM 0 H VAL A 21 -5.129 9.921 5.101 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.512 10.636 7.487 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.441 12.046 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.764 11.094 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.044 10.704 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.090 9.474 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.469 11.554 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.648 9.975 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.692 11.476 9.598 1.00 0.00 H new ATOM 288 N ILE A 22 -4.363 7.934 6.214 1.00 0.00 N ATOM 289 CA ILE A 22 -4.242 6.486 6.233 1.00 0.00 C ATOM 290 C ILE A 22 -2.806 6.107 6.607 1.00 0.00 C ATOM 291 O ILE A 22 -1.923 6.124 5.755 1.00 0.00 O ATOM 292 CB ILE A 22 -4.712 5.910 4.874 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.313 4.426 4.766 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.244 6.695 3.624 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.287 3.627 3.914 1.00 0.00 C ATOM 0 H ILE A 22 -4.451 8.300 5.266 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.888 6.044 6.991 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.797 6.016 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.313 4.351 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.266 3.991 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.626 6.210 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.621 7.716 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.155 6.712 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.962 2.587 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.282 3.677 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.315 4.043 2.907 1.00 0.00 H new ATOM 307 N ARG A 23 -2.560 5.769 7.874 1.00 0.00 N ATOM 308 CA ARG A 23 -1.222 5.409 8.335 1.00 0.00 C ATOM 309 C ARG A 23 -0.852 3.983 7.958 1.00 0.00 C ATOM 310 O ARG A 23 0.264 3.592 8.284 1.00 0.00 O ATOM 311 CB ARG A 23 -1.033 5.676 9.843 1.00 0.00 C ATOM 312 CG ARG A 23 -1.178 7.173 10.118 1.00 0.00 C ATOM 313 CD ARG A 23 -0.601 7.662 11.446 1.00 0.00 C ATOM 314 NE ARG A 23 -1.440 7.338 12.601 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.397 8.108 13.128 1.00 0.00 C ATOM 316 NH1 ARG A 23 -2.872 9.170 12.485 1.00 0.00 N ATOM 317 NH2 ARG A 23 -2.875 7.823 14.325 1.00 0.00 N ATOM 0 H ARG A 23 -3.275 5.738 8.601 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.526 6.064 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.771 5.117 10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.051 5.330 10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.694 7.721 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.237 7.428 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.386 7.222 11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.464 8.742 11.398 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.278 6.435 13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.506 9.415 11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.603 9.740 12.911 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.514 7.020 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.605 8.406 14.734 1.00 0.00 H new ATOM 331 N GLU A 24 -1.735 3.194 7.344 1.00 0.00 N ATOM 332 CA GLU A 24 -1.571 1.748 7.223 1.00 0.00 C ATOM 333 C GLU A 24 -2.275 1.212 5.983 1.00 0.00 C ATOM 334 O GLU A 24 -3.410 1.604 5.712 1.00 0.00 O ATOM 335 CB GLU A 24 -2.191 1.111 8.472 1.00 0.00 C ATOM 336 CG GLU A 24 -1.117 0.417 9.296 1.00 0.00 C ATOM 337 CD GLU A 24 -1.696 -0.013 10.636 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.614 -0.865 10.677 1.00 0.00 O ATOM 339 OE2 GLU A 24 -1.279 0.595 11.651 1.00 0.00 O ATOM 0 H GLU A 24 -2.591 3.545 6.914 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.512 1.507 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.683 1.876 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.957 0.392 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.737 -0.451 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.274 1.090 9.452 1.00 0.00 H new ATOM 346 N ILE A 25 -1.636 0.295 5.252 1.00 0.00 N ATOM 347 CA ILE A 25 -2.169 -0.320 4.037 1.00 0.00 C ATOM 348 C ILE A 25 -1.720 -1.792 4.004 1.00 0.00 C ATOM 349 O ILE A 25 -0.575 -2.086 3.649 1.00 0.00 O ATOM 350 CB ILE A 25 -1.677 0.456 2.790 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.992 1.965 2.835 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.232 -0.141 1.482 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.450 2.755 1.645 1.00 0.00 C ATOM 0 H ILE A 25 -0.708 -0.049 5.497 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.258 -0.281 4.032 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.593 0.345 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.073 2.098 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.579 2.384 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.861 0.434 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.906 -1.177 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.321 -0.103 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.715 3.806 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.365 2.657 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.882 2.366 0.723 1.00 0.00 H new ATOM 365 N THR A 26 -2.600 -2.733 4.341 1.00 0.00 N ATOM 366 CA THR A 26 -2.329 -4.158 4.191 1.00 0.00 C ATOM 367 C THR A 26 -2.690 -4.568 2.761 1.00 0.00 C ATOM 368 O THR A 26 -3.853 -4.836 2.442 1.00 0.00 O ATOM 369 CB THR A 26 -3.057 -4.963 5.278 1.00 0.00 C ATOM 370 OG1 THR A 26 -2.573 -4.533 6.532 1.00 0.00 O ATOM 371 CG2 THR A 26 -2.781 -6.464 5.160 1.00 0.00 C ATOM 0 H THR A 26 -3.522 -2.527 4.726 1.00 0.00 H new ATOM 0 HA THR A 26 -1.271 -4.377 4.337 1.00 0.00 H new ATOM 0 HB THR A 26 -4.129 -4.800 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.024 -5.031 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.315 -6.995 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.120 -6.821 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.711 -6.646 5.261 1.00 0.00 H new ATOM 379 N VAL A 27 -1.697 -4.595 1.873 1.00 0.00 N ATOM 380 CA VAL A 27 -1.842 -5.094 0.514 1.00 0.00 C ATOM 381 C VAL A 27 -1.695 -6.620 0.534 1.00 0.00 C ATOM 382 O VAL A 27 -0.904 -7.166 1.303 1.00 0.00 O ATOM 383 CB VAL A 27 -0.809 -4.452 -0.435 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.343 -4.483 -1.872 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.466 -2.987 -0.119 1.00 0.00 C ATOM 0 H VAL A 27 -0.756 -4.265 2.085 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.828 -4.825 0.136 1.00 0.00 H new ATOM 0 HB VAL A 27 0.098 -5.042 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.612 -4.029 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.518 -5.516 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.278 -3.926 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.267 -2.622 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.369 -2.380 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.052 -2.919 0.887 1.00 0.00 H new ATOM 395 N GLN A 28 -2.393 -7.314 -0.358 1.00 0.00 N ATOM 396 CA GLN A 28 -2.284 -8.756 -0.564 1.00 0.00 C ATOM 397 C GLN A 28 -1.586 -8.986 -1.912 1.00 0.00 C ATOM 398 O GLN A 28 -1.467 -8.043 -2.708 1.00 0.00 O ATOM 399 CB GLN A 28 -3.694 -9.384 -0.498 1.00 0.00 C ATOM 400 CG GLN A 28 -4.584 -8.833 0.635 1.00 0.00 C ATOM 401 CD GLN A 28 -5.492 -7.707 0.154 1.00 0.00 C ATOM 402 OE1 GLN A 28 -6.243 -7.863 -0.801 1.00 0.00 O ATOM 403 NE2 GLN A 28 -5.487 -6.554 0.796 1.00 0.00 N ATOM 0 H GLN A 28 -3.073 -6.875 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.689 -9.238 0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.197 -9.220 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.593 -10.462 -0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.193 -9.640 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.954 -8.469 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.865 -6.416 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.106 -5.801 0.496 1.00 0.00 H new ATOM 412 N PRO A 29 -1.078 -10.195 -2.181 1.00 0.00 N ATOM 413 CA PRO A 29 -0.504 -10.527 -3.472 1.00 0.00 C ATOM 414 C PRO A 29 -1.607 -10.516 -4.523 1.00 0.00 C ATOM 415 O PRO A 29 -2.795 -10.511 -4.202 1.00 0.00 O ATOM 416 CB PRO A 29 0.117 -11.915 -3.296 1.00 0.00 C ATOM 417 CG PRO A 29 -0.681 -12.528 -2.150 1.00 0.00 C ATOM 418 CD PRO A 29 -0.982 -11.324 -1.278 1.00 0.00 C ATOM 0 HA PRO A 29 0.252 -9.816 -3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.032 -12.510 -4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.178 -11.851 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.592 -13.011 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.106 -13.284 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.912 -11.464 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.194 -11.169 -0.541 1.00 0.00 H new ATOM 426 N ASN A 30 -1.213 -10.558 -5.791 1.00 0.00 N ATOM 427 CA ASN A 30 -2.067 -10.823 -6.942 1.00 0.00 C ATOM 428 C ASN A 30 -3.189 -9.797 -7.206 1.00 0.00 C ATOM 429 O ASN A 30 -3.785 -9.848 -8.283 1.00 0.00 O ATOM 430 CB ASN A 30 -2.569 -12.280 -6.889 1.00 0.00 C ATOM 431 CG ASN A 30 -1.463 -13.275 -7.246 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.759 -13.107 -8.236 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.252 -14.333 -6.486 1.00 0.00 N ATOM 0 H ASN A 30 -0.241 -10.400 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.438 -10.691 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.946 -12.499 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.404 -12.402 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.513 -14.994 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.827 -14.489 -5.658 1.00 0.00 H new ATOM 440 N ILE A 31 -3.443 -8.811 -6.336 1.00 0.00 N ATOM 441 CA ILE A 31 -4.590 -7.895 -6.392 1.00 0.00 C ATOM 442 C ILE A 31 -4.230 -6.520 -7.003 1.00 0.00 C ATOM 443 O ILE A 31 -4.474 -5.462 -6.422 1.00 0.00 O ATOM 444 CB ILE A 31 -5.286 -7.860 -5.018 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.590 -7.034 -5.063 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.341 -7.395 -3.906 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.642 -7.542 -4.083 1.00 0.00 C ATOM 0 H ILE A 31 -2.831 -8.622 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.330 -8.274 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.568 -8.884 -4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.363 -5.992 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.998 -7.061 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.874 -7.386 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.493 -8.077 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.982 -6.391 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.537 -6.924 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.893 -8.575 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.249 -7.490 -3.068 1.00 0.00 H new ATOM 459 N GLY A 32 -3.656 -6.514 -8.201 1.00 0.00 N ATOM 460 CA GLY A 32 -3.304 -5.299 -8.937 1.00 0.00 C ATOM 461 C GLY A 32 -1.872 -4.857 -8.646 1.00 0.00 C ATOM 462 O GLY A 32 -1.241 -5.330 -7.700 1.00 0.00 O ATOM 0 H GLY A 32 -3.416 -7.370 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.420 -5.475 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.993 -4.499 -8.669 1.00 0.00 H new ATOM 466 N LEU A 33 -1.345 -3.938 -9.452 1.00 0.00 N ATOM 467 CA LEU A 33 0.056 -3.498 -9.478 1.00 0.00 C ATOM 468 C LEU A 33 0.389 -2.558 -8.302 1.00 0.00 C ATOM 469 O LEU A 33 -0.528 -2.038 -7.662 1.00 0.00 O ATOM 470 CB LEU A 33 0.234 -2.770 -10.821 1.00 0.00 C ATOM 471 CG LEU A 33 1.664 -2.434 -11.266 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.590 -3.651 -11.216 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.583 -1.928 -12.705 1.00 0.00 C ATOM 0 H LEU A 33 -1.913 -3.450 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 33 0.731 -4.348 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.224 -3.382 -11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.331 -1.839 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 33 2.079 -1.687 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.590 -3.361 -11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.635 -4.032 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.206 -4.428 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.583 -1.678 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.157 -2.704 -13.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.951 -1.040 -12.744 1.00 0.00 H new ATOM 485 N LEU A 34 1.674 -2.300 -8.019 1.00 0.00 N ATOM 486 CA LEU A 34 2.102 -1.255 -7.085 1.00 0.00 C ATOM 487 C LEU A 34 2.934 -0.227 -7.845 1.00 0.00 C ATOM 488 O LEU A 34 4.165 -0.234 -7.785 1.00 0.00 O ATOM 489 CB LEU A 34 2.857 -1.823 -5.877 1.00 0.00 C ATOM 490 CG LEU A 34 1.993 -2.665 -4.930 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.901 -3.471 -3.998 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.053 -1.788 -4.100 1.00 0.00 C ATOM 0 H LEU A 34 2.449 -2.816 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 34 1.218 -0.769 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.684 -2.435 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.292 -0.997 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 34 1.381 -3.337 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.290 -4.071 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.539 -4.127 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.522 -2.790 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.456 -2.418 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.639 -1.090 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.393 -1.231 -4.765 1.00 0.00 H new ATOM 504 N TYR A 35 2.230 0.574 -8.637 1.00 0.00 N ATOM 505 CA TYR A 35 2.838 1.463 -9.606 1.00 0.00 C ATOM 506 C TYR A 35 3.265 2.789 -8.974 1.00 0.00 C ATOM 507 O TYR A 35 2.943 3.086 -7.822 1.00 0.00 O ATOM 508 CB TYR A 35 1.885 1.652 -10.783 1.00 0.00 C ATOM 509 CG TYR A 35 0.862 2.768 -10.664 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.199 2.743 -9.730 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.987 3.856 -11.542 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.185 3.748 -9.770 1.00 0.00 C ATOM 513 CE2 TYR A 35 0.068 4.907 -11.498 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.040 4.848 -10.639 1.00 0.00 C ATOM 515 OH TYR A 35 -1.930 5.870 -10.629 1.00 0.00 O ATOM 0 H TYR A 35 1.211 0.621 -8.620 1.00 0.00 H new ATOM 0 HA TYR A 35 3.757 1.010 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.481 1.832 -11.677 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.349 0.716 -10.940 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.253 1.958 -8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.798 3.881 -12.255 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.054 3.675 -9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.211 5.771 -12.130 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.801 5.542 -10.321 1.00 0.00 H new ATOM 525 N ASP A 36 4.009 3.589 -9.737 1.00 0.00 N ATOM 526 CA ASP A 36 4.586 4.825 -9.232 1.00 0.00 C ATOM 527 C ASP A 36 3.516 5.894 -9.060 1.00 0.00 C ATOM 528 O ASP A 36 2.511 5.941 -9.771 1.00 0.00 O ATOM 529 CB ASP A 36 5.719 5.341 -10.125 1.00 0.00 C ATOM 530 CG ASP A 36 5.213 6.215 -11.274 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.695 5.646 -12.263 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.417 7.447 -11.230 1.00 0.00 O ATOM 0 H ASP A 36 4.225 3.397 -10.715 1.00 0.00 H new ATOM 0 HA ASP A 36 5.016 4.599 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.421 5.914 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.269 4.493 -10.534 1.00 0.00 H new ATOM 537 N GLY A 37 3.757 6.778 -8.102 1.00 0.00 N ATOM 538 CA GLY A 37 2.897 7.908 -7.802 1.00 0.00 C ATOM 539 C GLY A 37 1.598 7.509 -7.098 1.00 0.00 C ATOM 540 O GLY A 37 0.827 8.401 -6.729 1.00 0.00 O ATOM 0 H GLY A 37 4.577 6.725 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.441 8.613 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.655 8.428 -8.729 1.00 0.00 H new ATOM 544 N MET A 38 1.333 6.213 -6.868 1.00 0.00 N ATOM 545 CA MET A 38 0.059 5.752 -6.327 1.00 0.00 C ATOM 546 C MET A 38 -0.249 6.275 -4.918 1.00 0.00 C ATOM 547 O MET A 38 -1.379 6.113 -4.458 1.00 0.00 O ATOM 548 CB MET A 38 -0.044 4.225 -6.378 1.00 0.00 C ATOM 549 CG MET A 38 0.792 3.406 -5.401 1.00 0.00 C ATOM 550 SD MET A 38 0.698 1.597 -5.620 1.00 0.00 S ATOM 551 CE MET A 38 -0.926 1.164 -4.933 1.00 0.00 C ATOM 0 H MET A 38 1.999 5.463 -7.054 1.00 0.00 H new ATOM 0 HA MET A 38 -0.705 6.181 -6.976 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.090 3.958 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.221 3.909 -7.387 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.834 3.713 -5.494 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.477 3.649 -4.386 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.815 0.339 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.345 2.028 -4.416 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.595 0.865 -5.740 1.00 0.00 H new ATOM 561 N PHE A 39 0.724 6.886 -4.231 1.00 0.00 N ATOM 562 CA PHE A 39 0.601 7.360 -2.859 1.00 0.00 C ATOM 563 C PHE A 39 0.848 8.870 -2.753 1.00 0.00 C ATOM 564 O PHE A 39 1.037 9.371 -1.650 1.00 0.00 O ATOM 565 CB PHE A 39 1.549 6.557 -1.957 1.00 0.00 C ATOM 566 CG PHE A 39 1.342 5.055 -2.000 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.143 4.501 -1.514 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.327 4.210 -2.543 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.067 3.111 -1.560 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.132 2.817 -2.555 1.00 0.00 C ATOM 571 CZ PHE A 39 0.939 2.265 -2.058 1.00 0.00 C ATOM 0 H PHE A 39 1.644 7.067 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.423 7.199 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.577 6.777 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.427 6.898 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.620 5.146 -1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.234 4.631 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.001 2.694 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.902 2.169 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.796 1.195 -2.059 1.00 0.00 H new ATOM 581 N SER A 40 0.864 9.599 -3.872 1.00 0.00 N ATOM 582 CA SER A 40 1.166 11.027 -3.917 1.00 0.00 C ATOM 583 C SER A 40 0.065 11.830 -3.214 1.00 0.00 C ATOM 584 O SER A 40 -0.986 12.116 -3.795 1.00 0.00 O ATOM 585 CB SER A 40 1.349 11.482 -5.364 1.00 0.00 C ATOM 586 OG SER A 40 2.272 10.658 -6.046 1.00 0.00 O ATOM 0 H SER A 40 0.663 9.202 -4.790 1.00 0.00 H new ATOM 0 HA SER A 40 2.100 11.209 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.389 11.460 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.697 12.515 -5.382 1.00 0.00 H new ATOM 0 HG SER A 40 1.821 9.843 -6.349 1.00 0.00 H new ATOM 592 N GLY A 41 0.301 12.167 -1.948 1.00 0.00 N ATOM 593 CA GLY A 41 -0.648 12.867 -1.092 1.00 0.00 C ATOM 594 C GLY A 41 -1.095 12.034 0.103 1.00 0.00 C ATOM 595 O GLY A 41 -1.761 12.558 0.997 1.00 0.00 O ATOM 0 H GLY A 41 1.181 11.954 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.194 13.791 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.522 13.148 -1.680 1.00 0.00 H new ATOM 599 N CYS A 42 -0.716 10.756 0.180 1.00 0.00 N ATOM 600 CA CYS A 42 -0.812 9.994 1.412 1.00 0.00 C ATOM 601 C CYS A 42 0.302 10.492 2.343 1.00 0.00 C ATOM 602 O CYS A 42 1.276 9.782 2.585 1.00 0.00 O ATOM 603 CB CYS A 42 -0.677 8.492 1.129 1.00 0.00 C ATOM 604 SG CYS A 42 -1.826 7.914 -0.145 1.00 0.00 S ATOM 0 H CYS A 42 -0.338 10.230 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.784 10.137 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.344 8.276 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.853 7.936 2.050 1.00 0.00 H new ATOM 0 HG CYS A 42 -3.047 8.030 0.287 1.00 0.00 H new ATOM 610 N THR A 43 0.192 11.726 2.833 1.00 0.00 N ATOM 611 CA THR A 43 1.251 12.359 3.599 1.00 0.00 C ATOM 612 C THR A 43 1.485 11.554 4.876 1.00 0.00 C ATOM 613 O THR A 43 2.578 11.026 5.087 1.00 0.00 O ATOM 614 CB THR A 43 0.926 13.850 3.828 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.444 14.071 4.124 1.00 0.00 O ATOM 616 CG2 THR A 43 1.235 14.669 2.574 1.00 0.00 C ATOM 0 H THR A 43 -0.635 12.310 2.707 1.00 0.00 H new ATOM 0 HA THR A 43 2.194 12.355 3.052 1.00 0.00 H new ATOM 0 HB THR A 43 1.542 14.156 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.598 15.029 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.999 15.717 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.293 14.573 2.328 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.634 14.301 1.742 1.00 0.00 H new ATOM 624 N ALA A 44 0.439 11.332 5.677 1.00 0.00 N ATOM 625 CA ALA A 44 0.530 10.527 6.880 1.00 0.00 C ATOM 626 C ALA A 44 0.191 9.083 6.537 1.00 0.00 C ATOM 627 O ALA A 44 -0.745 8.510 7.095 1.00 0.00 O ATOM 628 CB ALA A 44 -0.365 11.094 7.972 1.00 0.00 C ATOM 0 H ALA A 44 -0.492 11.710 5.502 1.00 0.00 H new ATOM 0 HA ALA A 44 1.547 10.551 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.283 10.477 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.055 12.113 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.399 11.100 7.628 1.00 0.00 H new ATOM 634 N LEU A 45 0.959 8.530 5.603 1.00 0.00 N ATOM 635 CA LEU A 45 1.132 7.103 5.364 1.00 0.00 C ATOM 636 C LEU A 45 2.580 6.746 5.671 1.00 0.00 C ATOM 637 O LEU A 45 3.477 7.295 5.033 1.00 0.00 O ATOM 638 CB LEU A 45 0.782 6.775 3.910 1.00 0.00 C ATOM 639 CG LEU A 45 1.146 5.354 3.453 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.303 4.302 4.170 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.939 5.253 1.939 1.00 0.00 C ATOM 0 H LEU A 45 1.507 9.098 4.957 1.00 0.00 H new ATOM 0 HA LEU A 45 0.470 6.521 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.289 6.921 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.289 7.489 3.261 1.00 0.00 H new ATOM 0 HG LEU A 45 2.189 5.162 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.587 3.309 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.471 4.372 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.752 4.473 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.194 4.248 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.104 5.462 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.579 5.978 1.435 1.00 0.00 H new ATOM 653 N GLU A 46 2.807 5.824 6.614 1.00 0.00 N ATOM 654 CA GLU A 46 4.160 5.368 6.953 1.00 0.00 C ATOM 655 C GLU A 46 4.273 3.840 7.113 1.00 0.00 C ATOM 656 O GLU A 46 5.383 3.324 7.260 1.00 0.00 O ATOM 657 CB GLU A 46 4.662 6.043 8.229 1.00 0.00 C ATOM 658 CG GLU A 46 4.717 7.580 8.205 1.00 0.00 C ATOM 659 CD GLU A 46 5.469 8.108 9.432 1.00 0.00 C ATOM 660 OE1 GLU A 46 5.335 7.508 10.526 1.00 0.00 O ATOM 661 OE2 GLU A 46 6.220 9.102 9.336 1.00 0.00 O ATOM 0 H GLU A 46 2.068 5.378 7.158 1.00 0.00 H new ATOM 0 HA GLU A 46 4.783 5.655 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.021 5.736 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.662 5.667 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.212 7.918 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.706 7.986 8.188 1.00 0.00 H new ATOM 668 N LYS A 47 3.172 3.082 7.046 1.00 0.00 N ATOM 669 CA LYS A 47 3.216 1.622 7.110 1.00 0.00 C ATOM 670 C LYS A 47 2.529 1.009 5.906 1.00 0.00 C ATOM 671 O LYS A 47 1.589 1.582 5.354 1.00 0.00 O ATOM 672 CB LYS A 47 2.550 1.104 8.387 1.00 0.00 C ATOM 673 CG LYS A 47 3.503 1.023 9.586 1.00 0.00 C ATOM 674 CD LYS A 47 2.887 0.095 10.646 1.00 0.00 C ATOM 675 CE LYS A 47 3.953 -0.642 11.454 1.00 0.00 C ATOM 676 NZ LYS A 47 4.699 0.235 12.367 1.00 0.00 N ATOM 0 H LYS A 47 2.231 3.464 6.946 1.00 0.00 H new ATOM 0 HA LYS A 47 4.266 1.330 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.714 1.756 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.136 0.114 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.475 0.643 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.669 2.016 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.262 0.680 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.237 -0.631 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.478 -1.436 12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.652 -1.121 10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.406 -0.324 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.179 0.978 11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.041 0.673 13.043 1.00 0.00 H new ATOM 690 N LEU A 48 2.961 -0.196 5.559 1.00 0.00 N ATOM 691 CA LEU A 48 2.458 -1.006 4.469 1.00 0.00 C ATOM 692 C LEU A 48 2.749 -2.444 4.876 1.00 0.00 C ATOM 693 O LEU A 48 3.876 -2.745 5.263 1.00 0.00 O ATOM 694 CB LEU A 48 3.198 -0.656 3.162 1.00 0.00 C ATOM 695 CG LEU A 48 2.540 -1.301 1.925 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.823 -0.252 1.073 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.563 -2.000 1.030 1.00 0.00 C ATOM 0 H LEU A 48 3.717 -0.657 6.064 1.00 0.00 H new ATOM 0 HA LEU A 48 1.396 -0.841 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.218 0.427 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.234 -0.987 3.234 1.00 0.00 H new ATOM 0 HG LEU A 48 1.830 -2.033 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.368 -0.735 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.048 0.232 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.541 0.495 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.055 -2.440 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.299 -1.275 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.065 -2.785 1.596 1.00 0.00 H new ATOM 709 N ILE A 49 1.773 -3.344 4.792 1.00 0.00 N ATOM 710 CA ILE A 49 1.970 -4.764 5.091 1.00 0.00 C ATOM 711 C ILE A 49 1.660 -5.525 3.811 1.00 0.00 C ATOM 712 O ILE A 49 0.779 -5.121 3.047 1.00 0.00 O ATOM 713 CB ILE A 49 1.145 -5.231 6.321 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.469 -4.378 7.570 1.00 0.00 C ATOM 715 CG2 ILE A 49 1.415 -6.713 6.679 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.428 -3.300 7.876 1.00 0.00 C ATOM 0 H ILE A 49 0.820 -3.111 4.514 1.00 0.00 H new ATOM 0 HA ILE A 49 2.999 -4.963 5.391 1.00 0.00 H new ATOM 0 HB ILE A 49 0.099 -5.111 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.559 -5.037 8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.439 -3.902 7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.816 -6.993 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.148 -7.346 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.472 -6.844 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.728 -2.746 8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.353 -2.616 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.541 -3.769 8.050 1.00 0.00 H new ATOM 728 N LEU A 50 2.396 -6.605 3.554 1.00 0.00 N ATOM 729 CA LEU A 50 2.276 -7.428 2.363 1.00 0.00 C ATOM 730 C LEU A 50 1.952 -8.855 2.800 1.00 0.00 C ATOM 731 O LEU A 50 2.864 -9.624 3.076 1.00 0.00 O ATOM 732 CB LEU A 50 3.574 -7.381 1.534 1.00 0.00 C ATOM 733 CG LEU A 50 3.991 -6.015 0.968 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.187 -6.213 0.032 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.883 -5.312 0.187 1.00 0.00 C ATOM 0 H LEU A 50 3.116 -6.938 4.195 1.00 0.00 H new ATOM 0 HA LEU A 50 1.477 -7.050 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.388 -7.752 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.469 -8.075 0.700 1.00 0.00 H new ATOM 0 HG LEU A 50 4.236 -5.383 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.493 -5.250 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.016 -6.651 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.905 -6.880 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.250 -4.354 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.581 -5.934 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.027 -5.145 0.841 1.00 0.00 H new ATOM 747 N THR A 51 0.671 -9.208 2.900 1.00 0.00 N ATOM 748 CA THR A 51 0.187 -10.518 3.342 1.00 0.00 C ATOM 749 C THR A 51 0.199 -11.514 2.167 1.00 0.00 C ATOM 750 O THR A 51 -0.836 -11.972 1.674 1.00 0.00 O ATOM 751 CB THR A 51 -1.138 -10.365 4.122 1.00 0.00 C ATOM 752 OG1 THR A 51 -1.726 -11.598 4.473 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.183 -9.557 3.360 1.00 0.00 C ATOM 0 H THR A 51 -0.087 -8.567 2.667 1.00 0.00 H new ATOM 0 HA THR A 51 0.862 -10.969 4.070 1.00 0.00 H new ATOM 0 HB THR A 51 -0.845 -9.834 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.558 -11.435 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.092 -9.483 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.797 -8.557 3.162 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.408 -10.052 2.416 1.00 0.00 H new ATOM 761 N GLY A 52 1.403 -11.802 1.672 1.00 0.00 N ATOM 762 CA GLY A 52 1.694 -12.908 0.764 1.00 0.00 C ATOM 763 C GLY A 52 2.840 -13.767 1.298 1.00 0.00 C ATOM 764 O GLY A 52 3.718 -13.266 2.000 1.00 0.00 O ATOM 0 H GLY A 52 2.230 -11.251 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.803 -13.523 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.955 -12.517 -0.219 1.00 0.00 H new ATOM 768 N GLU A 53 2.828 -15.064 0.964 1.00 0.00 N ATOM 769 CA GLU A 53 3.747 -16.070 1.484 1.00 0.00 C ATOM 770 C GLU A 53 5.024 -16.213 0.651 1.00 0.00 C ATOM 771 O GLU A 53 6.032 -16.713 1.149 1.00 0.00 O ATOM 772 CB GLU A 53 3.017 -17.418 1.509 1.00 0.00 C ATOM 773 CG GLU A 53 3.281 -18.174 2.809 1.00 0.00 C ATOM 774 CD GLU A 53 2.600 -19.549 2.808 1.00 0.00 C ATOM 775 OE1 GLU A 53 3.002 -20.391 1.969 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.666 -19.816 3.597 1.00 0.00 O ATOM 0 H GLU A 53 2.154 -15.449 0.302 1.00 0.00 H new ATOM 0 HA GLU A 53 4.054 -15.751 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.946 -17.255 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.341 -18.024 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.355 -18.299 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.917 -17.587 3.653 1.00 0.00 H new ATOM 783 N ASP A 54 4.988 -15.769 -0.605 1.00 0.00 N ATOM 784 CA ASP A 54 6.106 -15.699 -1.543 1.00 0.00 C ATOM 785 C ASP A 54 6.223 -14.240 -1.999 1.00 0.00 C ATOM 786 O ASP A 54 5.239 -13.506 -1.904 1.00 0.00 O ATOM 787 CB ASP A 54 5.868 -16.632 -2.757 1.00 0.00 C ATOM 788 CG ASP A 54 6.851 -17.811 -2.866 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.506 -18.176 -1.867 1.00 0.00 O ATOM 790 OD2 ASP A 54 6.960 -18.396 -3.969 1.00 0.00 O ATOM 0 H ASP A 54 4.121 -15.427 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 54 7.027 -16.029 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.854 -17.027 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.930 -16.040 -3.670 1.00 0.00 H new ATOM 795 N PRO A 55 7.377 -13.800 -2.518 1.00 0.00 N ATOM 796 CA PRO A 55 7.568 -12.467 -3.075 1.00 0.00 C ATOM 797 C PRO A 55 6.896 -12.319 -4.438 1.00 0.00 C ATOM 798 O PRO A 55 6.185 -11.338 -4.667 1.00 0.00 O ATOM 799 CB PRO A 55 9.083 -12.254 -3.164 1.00 0.00 C ATOM 800 CG PRO A 55 9.710 -13.639 -2.972 1.00 0.00 C ATOM 801 CD PRO A 55 8.613 -14.533 -2.422 1.00 0.00 C ATOM 0 HA PRO A 55 7.103 -11.711 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.362 -11.828 -4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.426 -11.559 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.091 -14.027 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.554 -13.591 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.554 -15.462 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.820 -14.804 -1.387 1.00 0.00 H new ATOM 809 N SER A 56 7.076 -13.306 -5.319 1.00 0.00 N ATOM 810 CA SER A 56 6.881 -13.158 -6.756 1.00 0.00 C ATOM 811 C SER A 56 5.456 -12.787 -7.177 1.00 0.00 C ATOM 812 O SER A 56 5.280 -12.198 -8.241 1.00 0.00 O ATOM 813 CB SER A 56 7.265 -14.474 -7.426 1.00 0.00 C ATOM 814 OG SER A 56 8.470 -14.997 -6.895 1.00 0.00 O ATOM 0 H SER A 56 7.366 -14.245 -5.045 1.00 0.00 H new ATOM 0 HA SER A 56 7.510 -12.325 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.462 -15.199 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.377 -14.318 -8.499 1.00 0.00 H new ATOM 0 HG SER A 56 8.687 -15.841 -7.344 1.00 0.00 H new ATOM 820 N ALA A 57 4.456 -13.127 -6.357 1.00 0.00 N ATOM 821 CA ALA A 57 3.040 -12.852 -6.592 1.00 0.00 C ATOM 822 C ALA A 57 2.674 -11.358 -6.414 1.00 0.00 C ATOM 823 O ALA A 57 1.498 -11.003 -6.526 1.00 0.00 O ATOM 824 CB ALA A 57 2.199 -13.772 -5.696 1.00 0.00 C ATOM 0 H ALA A 57 4.620 -13.620 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 57 2.816 -13.068 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.140 -13.575 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.417 -14.813 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.442 -13.583 -4.650 1.00 0.00 H new ATOM 830 N TYR A 58 3.646 -10.480 -6.126 1.00 0.00 N ATOM 831 CA TYR A 58 3.502 -9.029 -6.136 1.00 0.00 C ATOM 832 C TYR A 58 4.204 -8.485 -7.375 1.00 0.00 C ATOM 833 O TYR A 58 5.178 -9.067 -7.853 1.00 0.00 O ATOM 834 CB TYR A 58 4.146 -8.402 -4.885 1.00 0.00 C ATOM 835 CG TYR A 58 3.286 -8.425 -3.634 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.251 -7.492 -3.429 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.521 -9.403 -2.660 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.454 -7.556 -2.271 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.655 -9.553 -1.569 1.00 0.00 C ATOM 840 CZ TYR A 58 1.647 -8.601 -1.340 1.00 0.00 C ATOM 841 OH TYR A 58 0.903 -8.708 -0.207 1.00 0.00 O ATOM 0 H TYR A 58 4.587 -10.779 -5.871 1.00 0.00 H new ATOM 0 HA TYR A 58 2.441 -8.778 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.079 -8.926 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.405 -7.367 -5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.068 -6.723 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.381 -10.050 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.696 -6.807 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.762 -10.398 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 58 0.478 -7.847 -0.012 1.00 0.00 H new ATOM 851 N SER A 59 3.777 -7.304 -7.812 1.00 0.00 N ATOM 852 CA SER A 59 4.441 -6.498 -8.824 1.00 0.00 C ATOM 853 C SER A 59 4.485 -5.059 -8.306 1.00 0.00 C ATOM 854 O SER A 59 3.533 -4.604 -7.659 1.00 0.00 O ATOM 855 CB SER A 59 3.693 -6.594 -10.159 1.00 0.00 C ATOM 856 OG SER A 59 3.704 -7.908 -10.689 1.00 0.00 O ATOM 0 H SER A 59 2.926 -6.868 -7.456 1.00 0.00 H new ATOM 0 HA SER A 59 5.454 -6.856 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.662 -6.270 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.147 -5.911 -10.877 1.00 0.00 H new ATOM 0 HG SER A 59 3.215 -7.922 -11.538 1.00 0.00 H new ATOM 862 N ALA A 60 5.583 -4.366 -8.588 1.00 0.00 N ATOM 863 CA ALA A 60 5.967 -3.015 -8.181 1.00 0.00 C ATOM 864 C ALA A 60 6.918 -2.481 -9.256 1.00 0.00 C ATOM 865 O ALA A 60 7.576 -3.279 -9.932 1.00 0.00 O ATOM 866 CB ALA A 60 6.655 -3.074 -6.818 1.00 0.00 C ATOM 0 H ALA A 60 6.308 -4.783 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 60 5.102 -2.358 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.943 -2.068 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.970 -3.495 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.544 -3.701 -6.886 1.00 0.00 H new ATOM 872 N GLY A 61 6.992 -1.163 -9.409 1.00 0.00 N ATOM 873 CA GLY A 61 7.778 -0.519 -10.449 1.00 0.00 C ATOM 874 C GLY A 61 9.054 0.095 -9.894 1.00 0.00 C ATOM 875 O GLY A 61 9.529 -0.250 -8.808 1.00 0.00 O ATOM 0 H GLY A 61 6.500 -0.505 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.031 -1.249 -11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.180 0.256 -10.929 1.00 0.00 H new ATOM 879 N ASP A 62 9.615 1.022 -10.668 1.00 0.00 N ATOM 880 CA ASP A 62 10.883 1.696 -10.386 1.00 0.00 C ATOM 881 C ASP A 62 10.786 2.685 -9.213 1.00 0.00 C ATOM 882 O ASP A 62 11.764 3.353 -8.864 1.00 0.00 O ATOM 883 CB ASP A 62 11.390 2.397 -11.657 1.00 0.00 C ATOM 884 CG ASP A 62 12.918 2.410 -11.697 1.00 0.00 C ATOM 885 OD1 ASP A 62 13.497 1.296 -11.653 1.00 0.00 O ATOM 886 OD2 ASP A 62 13.538 3.482 -11.856 1.00 0.00 O ATOM 0 H ASP A 62 9.186 1.336 -11.538 1.00 0.00 H new ATOM 0 HA ASP A 62 11.599 0.933 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.003 1.886 -12.539 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.012 3.419 -11.689 1.00 0.00 H new ATOM 891 N GLY A 63 9.608 2.766 -8.593 1.00 0.00 N ATOM 892 CA GLY A 63 9.320 3.576 -7.435 1.00 0.00 C ATOM 893 C GLY A 63 8.020 3.112 -6.794 1.00 0.00 C ATOM 894 O GLY A 63 6.999 3.777 -6.959 1.00 0.00 O ATOM 0 H GLY A 63 8.796 2.237 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.137 3.504 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.241 4.624 -7.723 1.00 0.00 H new ATOM 898 N LEU A 64 8.023 1.969 -6.091 1.00 0.00 N ATOM 899 CA LEU A 64 6.841 1.407 -5.416 1.00 0.00 C ATOM 900 C LEU A 64 6.201 2.483 -4.521 1.00 0.00 C ATOM 901 O LEU A 64 4.991 2.687 -4.519 1.00 0.00 O ATOM 902 CB LEU A 64 7.270 0.182 -4.576 1.00 0.00 C ATOM 903 CG LEU A 64 6.107 -0.651 -3.982 1.00 0.00 C ATOM 904 CD1 LEU A 64 6.615 -1.991 -3.447 1.00 0.00 C ATOM 905 CD2 LEU A 64 5.350 -0.007 -2.809 1.00 0.00 C ATOM 0 H LEU A 64 8.861 1.399 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 64 6.105 1.088 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.881 -0.470 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.904 0.526 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 64 5.424 -0.744 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.780 -2.558 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.073 -2.557 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.354 -1.814 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.559 -0.678 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.042 0.177 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.912 0.937 -3.133 1.00 0.00 H new ATOM 917 N ARG A 65 7.031 3.188 -3.746 1.00 0.00 N ATOM 918 CA ARG A 65 6.632 4.144 -2.714 1.00 0.00 C ATOM 919 C ARG A 65 6.877 5.577 -3.183 1.00 0.00 C ATOM 920 O ARG A 65 7.336 6.412 -2.408 1.00 0.00 O ATOM 921 CB ARG A 65 7.328 3.809 -1.378 1.00 0.00 C ATOM 922 CG ARG A 65 8.862 3.702 -1.435 1.00 0.00 C ATOM 923 CD ARG A 65 9.578 4.366 -0.257 1.00 0.00 C ATOM 924 NE ARG A 65 9.470 5.833 -0.307 1.00 0.00 N ATOM 925 CZ ARG A 65 10.111 6.683 0.504 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.820 6.269 1.546 1.00 0.00 N ATOM 927 NH2 ARG A 65 10.012 7.990 0.317 1.00 0.00 N ATOM 0 H ARG A 65 8.044 3.102 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 65 5.560 4.062 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.062 4.574 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.929 2.864 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.141 2.649 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.213 4.155 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.153 4.002 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.629 4.079 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 65 8.857 6.234 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.890 5.272 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.295 6.947 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.445 8.354 -0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.503 8.633 0.939 1.00 0.00 H new ATOM 941 N ASP A 66 6.640 5.867 -4.462 1.00 0.00 N ATOM 942 CA ASP A 66 6.691 7.242 -4.957 1.00 0.00 C ATOM 943 C ASP A 66 5.496 8.007 -4.385 1.00 0.00 C ATOM 944 O ASP A 66 4.347 7.642 -4.647 1.00 0.00 O ATOM 945 CB ASP A 66 6.705 7.289 -6.497 1.00 0.00 C ATOM 946 CG ASP A 66 7.989 7.933 -7.021 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.295 9.076 -6.631 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.758 7.254 -7.739 1.00 0.00 O ATOM 0 H ASP A 66 6.412 5.171 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 66 7.617 7.712 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.614 6.278 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.842 7.851 -6.854 1.00 0.00 H new ATOM 953 N GLY A 67 5.767 9.043 -3.590 1.00 0.00 N ATOM 954 CA GLY A 67 4.779 10.031 -3.160 1.00 0.00 C ATOM 955 C GLY A 67 4.372 9.919 -1.690 1.00 0.00 C ATOM 956 O GLY A 67 3.763 10.841 -1.153 1.00 0.00 O ATOM 0 H GLY A 67 6.700 9.222 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.180 11.029 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.888 9.930 -3.780 1.00 0.00 H new ATOM 960 N ALA A 68 4.746 8.832 -1.021 1.00 0.00 N ATOM 961 CA ALA A 68 4.711 8.668 0.429 1.00 0.00 C ATOM 962 C ALA A 68 6.052 8.098 0.887 1.00 0.00 C ATOM 963 O ALA A 68 6.955 7.899 0.071 1.00 0.00 O ATOM 964 CB ALA A 68 3.559 7.750 0.833 1.00 0.00 C ATOM 0 H ALA A 68 5.098 8.002 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 68 4.546 9.632 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.546 7.638 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.615 8.183 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.692 6.773 0.369 1.00 0.00 H new ATOM 970 N ASP A 69 6.206 7.843 2.181 1.00 0.00 N ATOM 971 CA ASP A 69 7.462 7.432 2.784 1.00 0.00 C ATOM 972 C ASP A 69 7.129 6.412 3.863 1.00 0.00 C ATOM 973 O ASP A 69 6.770 6.778 4.979 1.00 0.00 O ATOM 974 CB ASP A 69 8.185 8.676 3.310 1.00 0.00 C ATOM 975 CG ASP A 69 9.599 8.397 3.800 1.00 0.00 C ATOM 976 OD1 ASP A 69 9.780 8.110 5.002 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.555 8.588 3.014 1.00 0.00 O ATOM 0 H ASP A 69 5.442 7.919 2.853 1.00 0.00 H new ATOM 0 HA ASP A 69 8.142 6.960 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.225 9.425 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.604 9.105 4.127 1.00 0.00 H new ATOM 982 N PHE A 70 7.105 5.131 3.481 1.00 0.00 N ATOM 983 CA PHE A 70 6.681 4.050 4.369 1.00 0.00 C ATOM 984 C PHE A 70 7.610 2.842 4.307 1.00 0.00 C ATOM 985 O PHE A 70 8.373 2.668 3.353 1.00 0.00 O ATOM 986 CB PHE A 70 5.240 3.637 4.028 1.00 0.00 C ATOM 987 CG PHE A 70 5.015 3.197 2.599 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.451 1.933 2.161 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.359 4.060 1.706 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.231 1.540 0.835 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.118 3.657 0.385 1.00 0.00 C ATOM 992 CZ PHE A 70 4.547 2.392 -0.049 1.00 0.00 C ATOM 0 H PHE A 70 7.379 4.818 2.550 1.00 0.00 H new ATOM 0 HA PHE A 70 6.726 4.427 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.946 2.824 4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.579 4.477 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.954 1.267 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.039 5.037 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.588 0.580 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.604 4.318 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.351 2.074 -1.062 1.00 0.00 H new ATOM 1002 N LEU A 71 7.484 1.976 5.312 1.00 0.00 N ATOM 1003 CA LEU A 71 8.159 0.684 5.403 1.00 0.00 C ATOM 1004 C LEU A 71 7.243 -0.409 4.881 1.00 0.00 C ATOM 1005 O LEU A 71 6.027 -0.237 4.828 1.00 0.00 O ATOM 1006 CB LEU A 71 8.505 0.366 6.861 1.00 0.00 C ATOM 1007 CG LEU A 71 9.642 1.236 7.408 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.735 1.003 8.907 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.994 0.882 6.783 1.00 0.00 C ATOM 0 H LEU A 71 6.885 2.164 6.116 1.00 0.00 H new ATOM 0 HA LEU A 71 9.072 0.730 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.618 0.506 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.787 -0.684 6.942 1.00 0.00 H new ATOM 0 HG LEU A 71 9.421 2.276 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.539 1.612 9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.791 1.279 9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.942 -0.050 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.768 1.525 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.232 -0.160 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.946 1.028 5.704 1.00 0.00 H new ATOM 1021 N ILE A 72 7.837 -1.543 4.517 1.00 0.00 N ATOM 1022 CA ILE A 72 7.180 -2.644 3.834 1.00 0.00 C ATOM 1023 C ILE A 72 7.302 -3.861 4.752 1.00 0.00 C ATOM 1024 O ILE A 72 8.283 -4.608 4.719 1.00 0.00 O ATOM 1025 CB ILE A 72 7.803 -2.825 2.433 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.544 -1.556 1.574 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.197 -4.064 1.756 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.252 -1.498 0.213 1.00 0.00 C ATOM 0 H ILE A 72 8.825 -1.722 4.698 1.00 0.00 H new ATOM 0 HA ILE A 72 6.120 -2.468 3.649 1.00 0.00 H new ATOM 0 HB ILE A 72 8.879 -2.967 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.471 -1.471 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.845 -0.683 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.638 -4.190 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.404 -4.947 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.119 -3.935 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.994 -0.567 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.331 -1.543 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.935 -2.343 -0.399 1.00 0.00 H new ATOM 1040 N CYS A 73 6.325 -4.040 5.634 1.00 0.00 N ATOM 1041 CA CYS A 73 6.277 -5.208 6.490 1.00 0.00 C ATOM 1042 C CYS A 73 5.742 -6.426 5.729 1.00 0.00 C ATOM 1043 O CYS A 73 4.991 -6.297 4.758 1.00 0.00 O ATOM 1044 CB CYS A 73 5.444 -4.922 7.740 1.00 0.00 C ATOM 1045 SG CYS A 73 6.220 -3.599 8.711 1.00 0.00 S ATOM 0 H CYS A 73 5.555 -3.385 5.771 1.00 0.00 H new ATOM 0 HA CYS A 73 7.293 -5.442 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.433 -4.631 7.455 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.357 -5.825 8.344 1.00 0.00 H new ATOM 0 HG CYS A 73 5.505 -3.361 9.770 1.00 0.00 H new ATOM 1051 N VAL A 74 6.098 -7.615 6.201 1.00 0.00 N ATOM 1052 CA VAL A 74 5.815 -8.902 5.563 1.00 0.00 C ATOM 1053 C VAL A 74 5.623 -9.972 6.638 1.00 0.00 C ATOM 1054 O VAL A 74 6.068 -9.766 7.772 1.00 0.00 O ATOM 1055 CB VAL A 74 6.990 -9.307 4.651 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.844 -8.705 3.251 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.357 -8.954 5.266 1.00 0.00 C ATOM 0 H VAL A 74 6.614 -7.716 7.075 1.00 0.00 H new ATOM 0 HA VAL A 74 4.908 -8.811 4.965 1.00 0.00 H new ATOM 0 HB VAL A 74 6.953 -10.392 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.689 -9.010 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.917 -9.058 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.821 -7.618 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.152 -9.259 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.414 -7.878 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.474 -9.474 6.217 1.00 0.00 H new ATOM 1067 N PRO A 75 4.987 -11.114 6.330 1.00 0.00 N ATOM 1068 CA PRO A 75 4.822 -12.163 7.308 1.00 0.00 C ATOM 1069 C PRO A 75 6.192 -12.760 7.607 1.00 0.00 C ATOM 1070 O PRO A 75 7.021 -12.931 6.708 1.00 0.00 O ATOM 1071 CB PRO A 75 3.840 -13.173 6.707 1.00 0.00 C ATOM 1072 CG PRO A 75 3.941 -12.940 5.204 1.00 0.00 C ATOM 1073 CD PRO A 75 4.349 -11.472 5.080 1.00 0.00 C ATOM 0 HA PRO A 75 4.418 -11.810 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.109 -14.196 6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.825 -13.007 7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.680 -13.599 4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.991 -13.133 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.031 -11.329 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.479 -10.842 4.894 1.00 0.00 H new ATOM 1081 N GLU A 76 6.415 -13.080 8.876 1.00 0.00 N ATOM 1082 CA GLU A 76 7.682 -13.609 9.386 1.00 0.00 C ATOM 1083 C GLU A 76 8.154 -14.849 8.616 1.00 0.00 C ATOM 1084 O GLU A 76 9.351 -15.069 8.463 1.00 0.00 O ATOM 1085 CB GLU A 76 7.532 -13.897 10.891 1.00 0.00 C ATOM 1086 CG GLU A 76 6.539 -15.033 11.204 1.00 0.00 C ATOM 1087 CD GLU A 76 6.134 -15.075 12.676 1.00 0.00 C ATOM 1088 OE1 GLU A 76 5.630 -14.038 13.173 1.00 0.00 O ATOM 1089 OE2 GLU A 76 6.307 -16.139 13.310 1.00 0.00 O ATOM 0 H GLU A 76 5.704 -12.978 9.600 1.00 0.00 H new ATOM 0 HA GLU A 76 8.457 -12.858 9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.508 -14.155 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.203 -12.989 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.647 -14.910 10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.987 -15.988 10.928 1.00 0.00 H new ATOM 1096 N GLU A 77 7.214 -15.649 8.119 1.00 0.00 N ATOM 1097 CA GLU A 77 7.443 -16.874 7.384 1.00 0.00 C ATOM 1098 C GLU A 77 8.112 -16.573 6.031 1.00 0.00 C ATOM 1099 O GLU A 77 9.128 -17.175 5.678 1.00 0.00 O ATOM 1100 CB GLU A 77 6.053 -17.525 7.263 1.00 0.00 C ATOM 1101 CG GLU A 77 6.091 -19.031 7.043 1.00 0.00 C ATOM 1102 CD GLU A 77 5.939 -19.415 5.573 1.00 0.00 C ATOM 1103 OE1 GLU A 77 6.910 -19.245 4.801 1.00 0.00 O ATOM 1104 OE2 GLU A 77 4.870 -19.944 5.202 1.00 0.00 O ATOM 0 H GLU A 77 6.221 -15.442 8.228 1.00 0.00 H new ATOM 0 HA GLU A 77 8.133 -17.557 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.485 -17.315 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.517 -17.061 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.034 -19.426 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.294 -19.499 7.621 1.00 0.00 H new ATOM 1111 N ALA A 78 7.597 -15.578 5.302 1.00 0.00 N ATOM 1112 CA ALA A 78 8.096 -15.162 3.992 1.00 0.00 C ATOM 1113 C ALA A 78 9.303 -14.223 4.102 1.00 0.00 C ATOM 1114 O ALA A 78 9.790 -13.744 3.075 1.00 0.00 O ATOM 1115 CB ALA A 78 6.956 -14.476 3.229 1.00 0.00 C ATOM 0 H ALA A 78 6.800 -15.026 5.618 1.00 0.00 H new ATOM 0 HA ALA A 78 8.436 -16.048 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.313 -14.160 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.129 -15.175 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.615 -13.605 3.789 1.00 0.00 H new ATOM 1121 N LEU A 79 9.769 -13.888 5.306 1.00 0.00 N ATOM 1122 CA LEU A 79 10.687 -12.776 5.533 1.00 0.00 C ATOM 1123 C LEU A 79 11.982 -12.912 4.723 1.00 0.00 C ATOM 1124 O LEU A 79 12.443 -11.938 4.126 1.00 0.00 O ATOM 1125 CB LEU A 79 10.961 -12.676 7.035 1.00 0.00 C ATOM 1126 CG LEU A 79 11.906 -11.520 7.398 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.310 -10.135 7.111 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.247 -11.617 8.885 1.00 0.00 C ATOM 0 H LEU A 79 9.516 -14.388 6.158 1.00 0.00 H new ATOM 0 HA LEU A 79 10.223 -11.854 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.016 -12.545 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.393 -13.614 7.383 1.00 0.00 H new ATOM 0 HG LEU A 79 12.794 -11.619 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.029 -9.365 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.081 -10.050 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.396 -10.005 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.918 -10.802 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.332 -11.547 9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.735 -12.571 9.085 1.00 0.00 H new ATOM 1140 N ASP A 80 12.581 -14.104 4.709 1.00 0.00 N ATOM 1141 CA ASP A 80 13.795 -14.398 3.932 1.00 0.00 C ATOM 1142 C ASP A 80 13.523 -14.288 2.442 1.00 0.00 C ATOM 1143 O ASP A 80 14.320 -13.705 1.711 1.00 0.00 O ATOM 1144 CB ASP A 80 14.300 -15.824 4.184 1.00 0.00 C ATOM 1145 CG ASP A 80 15.640 -16.095 3.482 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.592 -15.301 3.670 1.00 0.00 O ATOM 1147 OD2 ASP A 80 15.772 -17.121 2.778 1.00 0.00 O ATOM 0 H ASP A 80 12.236 -14.903 5.241 1.00 0.00 H new ATOM 0 HA ASP A 80 14.542 -13.671 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.414 -15.984 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.556 -16.539 3.833 1.00 0.00 H new ATOM 1152 N ARG A 81 12.392 -14.850 1.999 1.00 0.00 N ATOM 1153 CA ARG A 81 12.032 -15.001 0.608 1.00 0.00 C ATOM 1154 C ARG A 81 12.193 -13.685 -0.138 1.00 0.00 C ATOM 1155 O ARG A 81 12.860 -13.635 -1.167 1.00 0.00 O ATOM 1156 CB ARG A 81 10.575 -15.437 0.519 1.00 0.00 C ATOM 1157 CG ARG A 81 10.094 -16.741 1.150 1.00 0.00 C ATOM 1158 CD ARG A 81 9.722 -17.803 0.115 1.00 0.00 C ATOM 1159 NE ARG A 81 10.687 -18.896 0.015 1.00 0.00 N ATOM 1160 CZ ARG A 81 10.699 -19.771 -0.992 1.00 0.00 C ATOM 1161 NH1 ARG A 81 9.903 -19.614 -2.045 1.00 0.00 N ATOM 1162 NH2 ARG A 81 11.516 -20.807 -0.909 1.00 0.00 N ATOM 0 H ARG A 81 11.685 -15.222 2.633 1.00 0.00 H new ATOM 0 HA ARG A 81 12.687 -15.746 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.977 -14.635 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.323 -15.485 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.876 -17.133 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.228 -16.536 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.745 -18.216 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.625 -17.327 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 81 11.386 -18.995 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.271 -18.815 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.925 -20.292 -2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.115 -20.920 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.548 -21.493 -1.663 1.00 0.00 H new ATOM 1176 N TYR A 82 11.579 -12.611 0.366 1.00 0.00 N ATOM 1177 CA TYR A 82 11.649 -11.319 -0.293 1.00 0.00 C ATOM 1178 C TYR A 82 13.074 -10.788 -0.252 1.00 0.00 C ATOM 1179 O TYR A 82 13.529 -10.229 -1.251 1.00 0.00 O ATOM 1180 CB TYR A 82 10.716 -10.304 0.364 1.00 0.00 C ATOM 1181 CG TYR A 82 9.234 -10.434 0.059 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.514 -11.603 0.395 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.550 -9.331 -0.487 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.113 -11.612 0.334 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.151 -9.342 -0.584 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.429 -10.466 -0.121 1.00 0.00 C ATOM 1187 OH TYR A 82 5.077 -10.459 -0.101 1.00 0.00 O ATOM 0 H TYR A 82 11.031 -12.618 1.226 1.00 0.00 H new ATOM 0 HA TYR A 82 11.334 -11.460 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.847 -10.372 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.037 -9.306 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.045 -12.493 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.106 -8.472 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.562 -12.491 0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.629 -8.498 -1.009 1.00 0.00 H new ATOM 0 HH TYR A 82 4.740 -10.036 -0.918 1.00 0.00 H new ATOM 1197 N ARG A 83 13.821 -10.985 0.848 1.00 0.00 N ATOM 1198 CA ARG A 83 15.227 -10.598 0.835 1.00 0.00 C ATOM 1199 C ARG A 83 16.016 -11.375 -0.214 1.00 0.00 C ATOM 1200 O ARG A 83 17.116 -10.935 -0.559 1.00 0.00 O ATOM 1201 CB ARG A 83 15.850 -10.781 2.226 1.00 0.00 C ATOM 1202 CG ARG A 83 16.059 -9.433 2.925 1.00 0.00 C ATOM 1203 CD ARG A 83 16.915 -9.647 4.174 1.00 0.00 C ATOM 1204 NE ARG A 83 18.340 -9.803 3.838 1.00 0.00 N ATOM 1205 CZ ARG A 83 19.262 -10.252 4.688 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.926 -10.578 5.925 1.00 0.00 N ATOM 1207 NH2 ARG A 83 20.527 -10.370 4.306 1.00 0.00 N ATOM 0 H ARG A 83 13.486 -11.393 1.720 1.00 0.00 H new ATOM 0 HA ARG A 83 15.275 -9.543 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.204 -11.413 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.806 -11.297 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.547 -8.731 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.098 -8.997 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.791 -8.801 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.568 -10.533 4.706 1.00 0.00 H new ATOM 0 HE ARG A 83 18.640 -9.552 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.957 -10.486 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.635 -10.921 6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.799 -10.116 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.228 -10.715 4.962 1.00 0.00 H new ATOM 1221 N ARG A 84 15.520 -12.507 -0.724 1.00 0.00 N ATOM 1222 CA ARG A 84 16.202 -13.273 -1.758 1.00 0.00 C ATOM 1223 C ARG A 84 15.893 -12.861 -3.195 1.00 0.00 C ATOM 1224 O ARG A 84 16.681 -13.250 -4.066 1.00 0.00 O ATOM 1225 CB ARG A 84 15.993 -14.777 -1.538 1.00 0.00 C ATOM 1226 CG ARG A 84 16.683 -15.264 -0.256 1.00 0.00 C ATOM 1227 CD ARG A 84 16.846 -16.783 -0.306 1.00 0.00 C ATOM 1228 NE ARG A 84 17.689 -17.283 0.786 1.00 0.00 N ATOM 1229 CZ ARG A 84 18.488 -18.357 0.772 1.00 0.00 C ATOM 1230 NH1 ARG A 84 18.505 -19.199 -0.258 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.275 -18.594 1.813 1.00 0.00 N ATOM 0 H ARG A 84 14.633 -12.914 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 84 17.259 -13.032 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.926 -14.992 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.384 -15.328 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.658 -14.787 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.094 -14.980 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.865 -17.255 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.284 -17.069 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 84 17.663 -16.751 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.900 -19.033 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.123 -20.010 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.267 -17.961 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.888 -19.409 1.814 1.00 0.00 H new ATOM 1245 N ASP A 85 14.848 -12.086 -3.484 1.00 0.00 N ATOM 1246 CA ASP A 85 14.567 -11.672 -4.869 1.00 0.00 C ATOM 1247 C ASP A 85 15.609 -10.651 -5.310 1.00 0.00 C ATOM 1248 O ASP A 85 15.802 -9.664 -4.611 1.00 0.00 O ATOM 1249 CB ASP A 85 13.185 -11.021 -5.037 1.00 0.00 C ATOM 1250 CG ASP A 85 12.722 -10.972 -6.507 1.00 0.00 C ATOM 1251 OD1 ASP A 85 13.565 -10.888 -7.428 1.00 0.00 O ATOM 1252 OD2 ASP A 85 11.497 -10.995 -6.761 1.00 0.00 O ATOM 0 H ASP A 85 14.187 -11.733 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 85 14.595 -12.579 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.454 -11.575 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.215 -10.008 -4.636 1.00 0.00 H new ATOM 1257 N TYR A 86 16.235 -10.831 -6.473 1.00 0.00 N ATOM 1258 CA TYR A 86 17.091 -9.836 -7.120 1.00 0.00 C ATOM 1259 C TYR A 86 16.413 -8.459 -7.137 1.00 0.00 C ATOM 1260 O TYR A 86 17.084 -7.451 -6.926 1.00 0.00 O ATOM 1261 CB TYR A 86 17.394 -10.318 -8.548 1.00 0.00 C ATOM 1262 CG TYR A 86 18.613 -9.718 -9.229 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.652 -8.363 -9.619 1.00 0.00 C ATOM 1264 CD2 TYR A 86 19.695 -10.557 -9.553 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.753 -7.864 -10.341 1.00 0.00 C ATOM 1266 CE2 TYR A 86 20.786 -10.075 -10.290 1.00 0.00 C ATOM 1267 CZ TYR A 86 20.814 -8.726 -10.702 1.00 0.00 C ATOM 1268 OH TYR A 86 21.847 -8.267 -11.454 1.00 0.00 O ATOM 0 H TYR A 86 16.159 -11.697 -7.006 1.00 0.00 H new ATOM 0 HA TYR A 86 18.021 -9.728 -6.562 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.518 -11.401 -8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.522 -10.112 -9.169 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.834 -7.706 -9.363 1.00 0.00 H new ATOM 0 HD2 TYR A 86 19.685 -11.587 -9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.787 -6.821 -10.620 1.00 0.00 H new ATOM 0 HE2 TYR A 86 21.603 -10.735 -10.542 1.00 0.00 H new ATOM 0 HH TYR A 86 22.488 -8.993 -11.607 1.00 0.00 H new ATOM 1278 N PHE A 87 15.096 -8.420 -7.376 1.00 0.00 N ATOM 1279 CA PHE A 87 14.292 -7.209 -7.350 1.00 0.00 C ATOM 1280 C PHE A 87 14.179 -6.689 -5.918 1.00 0.00 C ATOM 1281 O PHE A 87 14.829 -5.706 -5.563 1.00 0.00 O ATOM 1282 CB PHE A 87 12.921 -7.502 -7.982 1.00 0.00 C ATOM 1283 CG PHE A 87 11.917 -6.364 -7.948 1.00 0.00 C ATOM 1284 CD1 PHE A 87 12.311 -5.052 -8.270 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.570 -6.622 -7.623 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.366 -4.016 -8.292 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.622 -5.583 -7.653 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.023 -4.278 -7.997 1.00 0.00 C ATOM 0 H PHE A 87 14.554 -9.255 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 87 14.767 -6.422 -7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.076 -7.792 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.484 -8.361 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 13.345 -4.842 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.264 -7.621 -7.350 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.676 -3.011 -8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.589 -5.786 -7.413 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.296 -3.480 -8.033 1.00 0.00 H new ATOM 1298 N TRP A 88 13.374 -7.350 -5.076 1.00 0.00 N ATOM 1299 CA TRP A 88 13.055 -6.885 -3.728 1.00 0.00 C ATOM 1300 C TRP A 88 14.301 -6.637 -2.858 1.00 0.00 C ATOM 1301 O TRP A 88 14.235 -5.790 -1.966 1.00 0.00 O ATOM 1302 CB TRP A 88 12.055 -7.835 -3.046 1.00 0.00 C ATOM 1303 CG TRP A 88 10.670 -7.869 -3.633 1.00 0.00 C ATOM 1304 CD1 TRP A 88 10.166 -8.780 -4.500 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.577 -6.943 -3.370 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.852 -8.465 -4.795 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.446 -7.332 -4.140 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.432 -5.799 -2.568 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.250 -6.608 -4.138 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.212 -5.097 -2.510 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.120 -5.494 -3.298 1.00 0.00 C ATOM 0 H TRP A 88 12.923 -8.232 -5.318 1.00 0.00 H new ATOM 0 HA TRP A 88 12.580 -5.910 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.465 -8.844 -3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.976 -7.554 -1.996 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.708 -9.624 -4.900 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.259 -9.008 -5.422 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.272 -5.451 -1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.433 -6.905 -4.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.116 -4.245 -1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.190 -4.947 -3.257 1.00 0.00 H new ATOM 1322 N GLN A 89 15.447 -7.262 -3.162 1.00 0.00 N ATOM 1323 CA GLN A 89 16.745 -6.939 -2.587 1.00 0.00 C ATOM 1324 C GLN A 89 17.077 -5.455 -2.501 1.00 0.00 C ATOM 1325 O GLN A 89 17.555 -5.018 -1.457 1.00 0.00 O ATOM 1326 CB GLN A 89 17.847 -7.620 -3.405 1.00 0.00 C ATOM 1327 CG GLN A 89 18.195 -8.979 -2.805 1.00 0.00 C ATOM 1328 CD GLN A 89 19.311 -9.730 -3.531 1.00 0.00 C ATOM 1329 OE1 GLN A 89 19.512 -10.924 -3.320 1.00 0.00 O ATOM 1330 NE2 GLN A 89 20.087 -9.080 -4.381 1.00 0.00 N ATOM 0 H GLN A 89 15.490 -8.027 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 89 16.691 -7.301 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.518 -7.745 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.735 -6.988 -3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.488 -8.838 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.299 -9.600 -2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.927 -8.089 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.846 -9.569 -4.856 1.00 0.00 H new ATOM 1339 N THR A 90 16.886 -4.693 -3.578 1.00 0.00 N ATOM 1340 CA THR A 90 17.245 -3.275 -3.553 1.00 0.00 C ATOM 1341 C THR A 90 16.441 -2.556 -2.455 1.00 0.00 C ATOM 1342 O THR A 90 16.994 -1.823 -1.631 1.00 0.00 O ATOM 1343 CB THR A 90 17.121 -2.670 -4.965 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.820 -1.446 -5.044 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.670 -2.448 -5.379 1.00 0.00 C ATOM 0 H THR A 90 16.494 -5.024 -4.460 1.00 0.00 H new ATOM 0 HA THR A 90 18.292 -3.140 -3.282 1.00 0.00 H new ATOM 0 HB THR A 90 17.560 -3.394 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.732 -1.077 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.639 -2.020 -6.381 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.140 -3.401 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.192 -1.764 -4.678 1.00 0.00 H new ATOM 1353 N TYR A 91 15.142 -2.848 -2.350 1.00 0.00 N ATOM 1354 CA TYR A 91 14.278 -2.288 -1.328 1.00 0.00 C ATOM 1355 C TYR A 91 14.473 -2.952 0.043 1.00 0.00 C ATOM 1356 O TYR A 91 13.725 -2.652 0.976 1.00 0.00 O ATOM 1357 CB TYR A 91 12.808 -2.330 -1.774 1.00 0.00 C ATOM 1358 CG TYR A 91 12.463 -1.433 -2.954 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.025 -0.116 -2.706 1.00 0.00 C ATOM 1360 CD2 TYR A 91 12.409 -1.944 -4.268 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.492 0.672 -3.742 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.886 -1.159 -5.315 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.405 0.146 -5.054 1.00 0.00 C ATOM 1364 OH TYR A 91 10.809 0.871 -6.043 1.00 0.00 O ATOM 0 H TYR A 91 14.663 -3.488 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 91 14.567 -1.245 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.553 -3.358 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 91 12.180 -2.049 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.100 0.292 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.770 -2.941 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.150 1.676 -3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.852 -1.554 -6.319 1.00 0.00 H new ATOM 0 HH TYR A 91 10.531 0.271 -6.766 1.00 0.00 H new ATOM 1374 N ALA A 92 15.460 -3.836 0.233 1.00 0.00 N ATOM 1375 CA ALA A 92 15.610 -4.584 1.477 1.00 0.00 C ATOM 1376 C ALA A 92 15.873 -3.669 2.664 1.00 0.00 C ATOM 1377 O ALA A 92 15.605 -4.059 3.801 1.00 0.00 O ATOM 1378 CB ALA A 92 16.705 -5.641 1.362 1.00 0.00 C ATOM 0 H ALA A 92 16.170 -4.048 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 92 14.662 -5.091 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.791 -6.180 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.453 -6.341 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.655 -5.158 1.133 1.00 0.00 H new ATOM 1384 N ALA A 93 16.327 -2.440 2.414 1.00 0.00 N ATOM 1385 CA ALA A 93 16.531 -1.456 3.451 1.00 0.00 C ATOM 1386 C ALA A 93 15.252 -1.127 4.241 1.00 0.00 C ATOM 1387 O ALA A 93 15.359 -0.617 5.361 1.00 0.00 O ATOM 1388 CB ALA A 93 17.138 -0.189 2.847 1.00 0.00 C ATOM 0 H ALA A 93 16.561 -2.108 1.478 1.00 0.00 H new ATOM 0 HA ALA A 93 17.223 -1.890 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.291 0.551 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.095 -0.429 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.462 0.215 2.094 1.00 0.00 H new ATOM 1394 N TRP A 94 14.061 -1.434 3.709 1.00 0.00 N ATOM 1395 CA TRP A 94 12.777 -0.976 4.244 1.00 0.00 C ATOM 1396 C TRP A 94 11.863 -2.155 4.626 1.00 0.00 C ATOM 1397 O TRP A 94 10.705 -1.963 5.001 1.00 0.00 O ATOM 1398 CB TRP A 94 12.157 0.031 3.262 1.00 0.00 C ATOM 1399 CG TRP A 94 13.035 1.217 2.985 1.00 0.00 C ATOM 1400 CD1 TRP A 94 13.216 2.269 3.816 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.897 1.475 1.835 1.00 0.00 C ATOM 1402 NE1 TRP A 94 14.149 3.131 3.281 1.00 0.00 N ATOM 1403 CE2 TRP A 94 14.632 2.674 2.074 1.00 0.00 C ATOM 1404 CE3 TRP A 94 14.158 0.795 0.628 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 15.605 3.145 1.177 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 15.112 1.274 -0.297 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.840 2.443 -0.015 1.00 0.00 C ATOM 0 H TRP A 94 13.964 -2.019 2.879 1.00 0.00 H new ATOM 0 HA TRP A 94 12.927 -0.449 5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.939 -0.477 2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 94 11.206 0.379 3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.706 2.412 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.446 4.001 3.724 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.616 -0.113 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 16.167 4.039 1.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.282 0.742 -1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 94 16.580 2.801 -0.716 1.00 0.00 H new ATOM 1418 N ILE A 95 12.393 -3.384 4.584 1.00 0.00 N ATOM 1419 CA ILE A 95 11.676 -4.599 4.963 1.00 0.00 C ATOM 1420 C ILE A 95 11.768 -4.779 6.480 1.00 0.00 C ATOM 1421 O ILE A 95 12.774 -4.398 7.088 1.00 0.00 O ATOM 1422 CB ILE A 95 12.246 -5.816 4.188 1.00 0.00 C ATOM 1423 CG1 ILE A 95 12.013 -5.580 2.683 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.588 -7.152 4.583 1.00 0.00 C ATOM 1425 CD1 ILE A 95 12.634 -6.614 1.741 1.00 0.00 C ATOM 0 H ILE A 95 13.350 -3.560 4.279 1.00 0.00 H new ATOM 0 HA ILE A 95 10.622 -4.518 4.697 1.00 0.00 H new ATOM 0 HB ILE A 95 13.305 -5.895 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.939 -5.550 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.407 -4.597 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.032 -7.962 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.747 -7.336 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.518 -7.105 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.407 -6.348 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.715 -6.632 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 95 12.223 -7.599 1.961 1.00 0.00 H new ATOM 1437 N GLN A 96 10.731 -5.363 7.088 1.00 0.00 N ATOM 1438 CA GLN A 96 10.727 -5.911 8.446 1.00 0.00 C ATOM 1439 C GLN A 96 9.544 -6.887 8.608 1.00 0.00 C ATOM 1440 O GLN A 96 8.644 -6.889 7.768 1.00 0.00 O ATOM 1441 CB GLN A 96 10.698 -4.782 9.498 1.00 0.00 C ATOM 1442 CG GLN A 96 9.999 -3.478 9.097 1.00 0.00 C ATOM 1443 CD GLN A 96 10.259 -2.373 10.106 1.00 0.00 C ATOM 1444 OE1 GLN A 96 9.370 -1.923 10.821 1.00 0.00 O ATOM 1445 NE2 GLN A 96 11.482 -1.872 10.165 1.00 0.00 N ATOM 0 H GLN A 96 9.829 -5.471 6.624 1.00 0.00 H new ATOM 0 HA GLN A 96 11.649 -6.468 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.211 -5.166 10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.727 -4.546 9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.349 -3.164 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.926 -3.650 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.217 -2.250 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.689 -1.108 10.808 1.00 0.00 H new ATOM 1454 N PRO A 97 9.505 -7.728 9.655 1.00 0.00 N ATOM 1455 CA PRO A 97 8.354 -8.589 9.913 1.00 0.00 C ATOM 1456 C PRO A 97 7.097 -7.785 10.298 1.00 0.00 C ATOM 1457 O PRO A 97 7.158 -6.601 10.638 1.00 0.00 O ATOM 1458 CB PRO A 97 8.801 -9.561 11.015 1.00 0.00 C ATOM 1459 CG PRO A 97 9.925 -8.813 11.732 1.00 0.00 C ATOM 1460 CD PRO A 97 10.561 -7.965 10.627 1.00 0.00 C ATOM 0 HA PRO A 97 8.055 -9.132 9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.982 -9.798 11.694 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.152 -10.504 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.540 -8.192 12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.646 -9.501 12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.944 -7.026 11.026 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.404 -8.485 10.171 1.00 0.00 H new ATOM 1468 N MET A 98 5.939 -8.438 10.226 1.00 0.00 N ATOM 1469 CA MET A 98 4.622 -7.910 10.567 1.00 0.00 C ATOM 1470 C MET A 98 4.378 -7.987 12.086 1.00 0.00 C ATOM 1471 O MET A 98 5.264 -8.339 12.874 1.00 0.00 O ATOM 1472 CB MET A 98 3.555 -8.635 9.711 1.00 0.00 C ATOM 1473 CG MET A 98 3.251 -10.073 10.128 1.00 0.00 C ATOM 1474 SD MET A 98 1.792 -10.873 9.386 1.00 0.00 S ATOM 1475 CE MET A 98 1.751 -10.227 7.695 1.00 0.00 C ATOM 0 H MET A 98 5.894 -9.407 9.909 1.00 0.00 H new ATOM 0 HA MET A 98 4.556 -6.849 10.326 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.630 -8.060 9.749 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.886 -8.637 8.673 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.124 -10.683 9.895 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.130 -10.091 11.211 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.259 -10.948 7.042 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.200 -9.287 7.678 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.769 -10.057 7.346 1.00 0.00 H new ATOM 1485 N GLU A 99 3.168 -7.639 12.510 1.00 0.00 N ATOM 1486 CA GLU A 99 2.608 -7.840 13.839 1.00 0.00 C ATOM 1487 C GLU A 99 1.256 -8.547 13.693 1.00 0.00 C ATOM 1488 O GLU A 99 0.947 -9.043 12.607 1.00 0.00 O ATOM 1489 CB GLU A 99 2.577 -6.506 14.589 1.00 0.00 C ATOM 1490 CG GLU A 99 1.955 -5.329 13.836 1.00 0.00 C ATOM 1491 CD GLU A 99 2.034 -4.028 14.642 1.00 0.00 C ATOM 1492 OE1 GLU A 99 3.110 -3.377 14.646 1.00 0.00 O ATOM 1493 OE2 GLU A 99 0.993 -3.638 15.219 1.00 0.00 O ATOM 0 H GLU A 99 2.506 -7.176 11.888 1.00 0.00 H new ATOM 0 HA GLU A 99 3.225 -8.493 14.456 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.028 -6.648 15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.599 -6.240 14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.467 -5.197 12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.913 -5.553 13.610 1.00 0.00 H new ATOM 1500 N GLN A 100 0.463 -8.658 14.758 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.878 -9.241 14.740 1.00 0.00 C ATOM 1502 C GLN A 100 -1.876 -8.121 15.011 1.00 0.00 C ATOM 1503 O GLN A 100 -2.942 -8.097 14.357 1.00 0.00 O ATOM 1504 CB GLN A 100 -0.965 -10.402 15.748 1.00 0.00 C ATOM 1505 CG GLN A 100 -2.184 -11.312 15.504 1.00 0.00 C ATOM 1506 CD GLN A 100 -2.296 -12.445 16.532 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -1.867 -12.321 17.679 1.00 0.00 O ATOM 1508 NE2 GLN A 100 -2.905 -13.567 16.191 1.00 0.00 N ATOM 0 H GLN A 100 0.744 -8.335 15.684 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.115 -9.677 13.769 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.054 -10.998 15.689 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.016 -9.997 16.759 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.092 -10.710 15.533 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.117 -11.740 14.504 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.266 -13.684 15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.014 -14.316 16.875 1.00 0.00 H new TER 1517 GLN A 100