USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 810 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 42 GLN : amide:sc= -3.48! C(o=-5.1!,f=-6.1!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -1.67 USER MOD Set 2.1: A 53 ASN : amide:sc= -0.487 K(o=-1.1,f=-4.7!) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.577 K(o=-1.1,f=-3.4!) USER MOD Set 3.1: A 46 HIS : no HD1:sc= -8.1! C(o=-11!,f=-7.1!) USER MOD Set 3.2: A 47 ASN : amide:sc= -2.63 K(o=-11,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 148:sc= -4.38 (180deg=-7.02!) USER MOD Single : A 14 SER OG : rot 4:sc= -0.795 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-11!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00283 X(o=-0.0028,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 0.896 (180deg=-0.054) USER MOD Single : A 35 THR OG1 : rot 98:sc= 0.0592 USER MOD Single : A 38 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.94) USER MOD Single : A 40 GLN : amide:sc= -2.38! C(o=-2.4!,f=-7.6!) USER MOD Single : A 48 GLN : amide:sc= -7.04! C(o=-7!,f=-12!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 29:sc= 0.12 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 70:sc= 0.609 USER MOD Single : A 71 MET CE :methyl -173:sc= -3.82 (180deg=-3.96) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0906 K(o=-0.091,f=-2.2!) USER MOD Single : A 85 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-4.8!) USER MOD Single : A 87 SER OG : rot 79:sc= -3.8! USER MOD Single : A 88 MET CE :methyl -148:sc= -1.32 (180deg=-2.92!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 17:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.782 20.646 -3.993 1.00 0.00 N ATOM 2 CA GLY A 1 -13.562 21.728 -3.049 1.00 0.00 C ATOM 3 C GLY A 1 -12.271 21.510 -2.257 1.00 0.00 C ATOM 4 O GLY A 1 -11.467 20.645 -2.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.865 21.035 -4.954 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.981 19.984 -3.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.658 20.143 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.509 22.677 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.407 21.795 -2.363 1.00 0.00 H new ATOM 8 N SER A 2 -12.113 22.311 -1.213 1.00 0.00 N ATOM 9 CA SER A 2 -10.934 22.216 -0.369 1.00 0.00 C ATOM 10 C SER A 2 -11.285 21.513 0.944 1.00 0.00 C ATOM 11 O SER A 2 -11.536 22.167 1.955 1.00 0.00 O ATOM 12 CB SER A 2 -10.345 23.600 -0.089 1.00 0.00 C ATOM 13 OG SER A 2 -9.576 24.085 -1.187 1.00 0.00 O ATOM 0 H SER A 2 -12.782 23.028 -0.933 1.00 0.00 H new ATOM 0 HA SER A 2 -10.182 21.630 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.152 24.301 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.717 23.554 0.801 1.00 0.00 H new ATOM 0 HG SER A 2 -9.219 24.971 -0.970 1.00 0.00 H new ATOM 19 N SER A 3 -11.291 20.189 0.886 1.00 0.00 N ATOM 20 CA SER A 3 -11.607 19.391 2.058 1.00 0.00 C ATOM 21 C SER A 3 -10.440 18.456 2.384 1.00 0.00 C ATOM 22 O SER A 3 -9.760 17.968 1.482 1.00 0.00 O ATOM 23 CB SER A 3 -12.890 18.584 1.845 1.00 0.00 C ATOM 24 OG SER A 3 -13.990 19.416 1.486 1.00 0.00 O ATOM 0 H SER A 3 -11.082 19.649 0.046 1.00 0.00 H new ATOM 0 HA SER A 3 -11.770 20.066 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.726 17.842 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.131 18.038 2.757 1.00 0.00 H new ATOM 0 HG SER A 3 -14.789 18.864 1.357 1.00 0.00 H new ATOM 30 N GLY A 4 -10.244 18.234 3.675 1.00 0.00 N ATOM 31 CA GLY A 4 -9.172 17.367 4.132 1.00 0.00 C ATOM 32 C GLY A 4 -9.707 15.982 4.502 1.00 0.00 C ATOM 33 O GLY A 4 -10.896 15.710 4.346 1.00 0.00 O ATOM 0 H GLY A 4 -10.810 18.640 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.418 17.273 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.681 17.814 4.997 1.00 0.00 H new ATOM 37 N SER A 5 -8.802 15.143 4.985 1.00 0.00 N ATOM 38 CA SER A 5 -9.168 13.793 5.379 1.00 0.00 C ATOM 39 C SER A 5 -10.022 13.831 6.648 1.00 0.00 C ATOM 40 O SER A 5 -9.837 14.700 7.499 1.00 0.00 O ATOM 41 CB SER A 5 -7.926 12.928 5.601 1.00 0.00 C ATOM 42 OG SER A 5 -7.010 13.020 4.513 1.00 0.00 O ATOM 0 H SER A 5 -7.816 15.372 5.112 1.00 0.00 H new ATOM 0 HA SER A 5 -9.749 13.347 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.429 13.237 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.227 11.889 5.735 1.00 0.00 H new ATOM 0 HG SER A 5 -6.230 12.455 4.694 1.00 0.00 H new ATOM 48 N SER A 6 -10.939 12.879 6.734 1.00 0.00 N ATOM 49 CA SER A 6 -11.822 12.793 7.885 1.00 0.00 C ATOM 50 C SER A 6 -11.016 12.443 9.138 1.00 0.00 C ATOM 51 O SER A 6 -11.154 13.095 10.171 1.00 0.00 O ATOM 52 CB SER A 6 -12.925 11.758 7.657 1.00 0.00 C ATOM 53 OG SER A 6 -13.853 11.719 8.738 1.00 0.00 O ATOM 0 H SER A 6 -11.090 12.161 6.026 1.00 0.00 H new ATOM 0 HA SER A 6 -12.296 13.764 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.455 11.990 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.477 10.773 7.528 1.00 0.00 H new ATOM 0 HG SER A 6 -14.542 11.047 8.553 1.00 0.00 H new ATOM 59 N GLY A 7 -10.193 11.414 9.004 1.00 0.00 N ATOM 60 CA GLY A 7 -9.365 10.969 10.113 1.00 0.00 C ATOM 61 C GLY A 7 -9.434 9.449 10.274 1.00 0.00 C ATOM 62 O GLY A 7 -9.772 8.950 11.346 1.00 0.00 O ATOM 0 H GLY A 7 -10.081 10.875 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.332 11.274 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.694 11.451 11.034 1.00 0.00 H new ATOM 66 N THR A 8 -9.110 8.756 9.193 1.00 0.00 N ATOM 67 CA THR A 8 -9.131 7.303 9.201 1.00 0.00 C ATOM 68 C THR A 8 -7.748 6.747 8.857 1.00 0.00 C ATOM 69 O THR A 8 -7.257 6.936 7.746 1.00 0.00 O ATOM 70 CB THR A 8 -10.227 6.841 8.238 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.423 7.391 8.784 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.454 5.329 8.291 1.00 0.00 C ATOM 0 H THR A 8 -8.831 9.174 8.305 1.00 0.00 H new ATOM 0 HA THR A 8 -9.365 6.917 10.193 1.00 0.00 H new ATOM 0 HB THR A 8 -9.963 7.133 7.221 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.185 7.142 8.220 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.241 5.054 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.532 4.813 8.022 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.750 5.041 9.300 1.00 0.00 H new ATOM 80 N MET A 9 -7.157 6.073 9.833 1.00 0.00 N ATOM 81 CA MET A 9 -5.840 5.489 9.649 1.00 0.00 C ATOM 82 C MET A 9 -5.916 3.961 9.628 1.00 0.00 C ATOM 83 O MET A 9 -6.525 3.354 10.508 1.00 0.00 O ATOM 84 CB MET A 9 -4.918 5.939 10.784 1.00 0.00 C ATOM 85 CG MET A 9 -3.587 5.186 10.740 1.00 0.00 C ATOM 86 SD MET A 9 -3.315 4.336 12.286 1.00 0.00 S ATOM 87 CE MET A 9 -4.222 2.831 11.976 1.00 0.00 C ATOM 0 H MET A 9 -7.567 5.919 10.754 1.00 0.00 H new ATOM 0 HA MET A 9 -5.444 5.828 8.692 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.736 7.011 10.706 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.406 5.767 11.743 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.592 4.470 9.918 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.771 5.884 10.551 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.744 2.004 12.501 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.246 2.944 12.332 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.230 2.625 10.906 1.00 0.00 H new ATOM 97 N LEU A 10 -5.289 3.382 8.615 1.00 0.00 N ATOM 98 CA LEU A 10 -5.278 1.937 8.468 1.00 0.00 C ATOM 99 C LEU A 10 -3.865 1.412 8.734 1.00 0.00 C ATOM 100 O LEU A 10 -2.889 1.962 8.226 1.00 0.00 O ATOM 101 CB LEU A 10 -5.837 1.532 7.103 1.00 0.00 C ATOM 102 CG LEU A 10 -7.362 1.497 6.987 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.906 0.107 7.323 1.00 0.00 C ATOM 104 CD2 LEU A 10 -8.003 2.587 7.848 1.00 0.00 C ATOM 0 H LEU A 10 -4.784 3.888 7.887 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.935 1.475 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.451 2.224 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.451 0.544 6.853 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.630 1.706 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.992 0.110 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.486 -0.625 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.627 -0.156 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.087 2.540 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.729 2.434 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.650 3.565 7.519 1.00 0.00 H new ATOM 116 N ARG A 11 -3.801 0.355 9.529 1.00 0.00 N ATOM 117 CA ARG A 11 -2.524 -0.250 9.868 1.00 0.00 C ATOM 118 C ARG A 11 -2.200 -1.387 8.896 1.00 0.00 C ATOM 119 O ARG A 11 -2.719 -2.494 9.035 1.00 0.00 O ATOM 120 CB ARG A 11 -2.535 -0.798 11.296 1.00 0.00 C ATOM 121 CG ARG A 11 -1.457 -0.126 12.150 1.00 0.00 C ATOM 122 CD ARG A 11 -1.353 -0.791 13.524 1.00 0.00 C ATOM 123 NE ARG A 11 -0.663 0.112 14.472 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.470 -0.165 15.768 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.914 -1.321 16.280 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.166 0.714 16.554 1.00 0.00 N ATOM 0 H ARG A 11 -4.613 -0.098 9.949 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.761 0.525 9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.515 -0.633 11.745 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.370 -1.875 11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.495 -0.184 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.690 0.932 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.349 -1.032 13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.808 -1.731 13.442 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.312 1.001 14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.399 -1.990 15.683 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.767 -1.532 17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.503 1.595 16.165 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.313 0.503 17.541 1.00 0.00 H new ATOM 140 N VAL A 12 -1.345 -1.075 7.934 1.00 0.00 N ATOM 141 CA VAL A 12 -0.946 -2.056 6.939 1.00 0.00 C ATOM 142 C VAL A 12 0.378 -2.695 7.362 1.00 0.00 C ATOM 143 O VAL A 12 1.196 -2.057 8.022 1.00 0.00 O ATOM 144 CB VAL A 12 -0.881 -1.404 5.557 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.462 -2.419 4.491 1.00 0.00 C ATOM 146 CG2 VAL A 12 -2.217 -0.750 5.196 1.00 0.00 C ATOM 0 H VAL A 12 -0.917 -0.156 7.822 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.685 -2.854 6.872 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.123 -0.621 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.424 -1.930 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.522 -2.818 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.186 -3.233 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.144 -0.294 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.002 -1.506 5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.458 0.016 5.933 1.00 0.00 H new ATOM 156 N ARG A 13 0.548 -3.947 6.963 1.00 0.00 N ATOM 157 CA ARG A 13 1.760 -4.679 7.292 1.00 0.00 C ATOM 158 C ARG A 13 2.475 -5.124 6.015 1.00 0.00 C ATOM 159 O ARG A 13 1.843 -5.638 5.093 1.00 0.00 O ATOM 160 CB ARG A 13 1.445 -5.908 8.147 1.00 0.00 C ATOM 161 CG ARG A 13 2.713 -6.715 8.435 1.00 0.00 C ATOM 162 CD ARG A 13 3.220 -6.452 9.855 1.00 0.00 C ATOM 163 NE ARG A 13 3.329 -7.728 10.597 1.00 0.00 N ATOM 164 CZ ARG A 13 3.473 -7.813 11.927 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.525 -6.698 12.668 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.564 -9.014 12.515 1.00 0.00 N ATOM 0 H ARG A 13 -0.133 -4.473 6.415 1.00 0.00 H new ATOM 0 HA ARG A 13 2.407 -4.011 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.988 -5.595 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.718 -6.537 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.508 -7.778 8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.487 -6.452 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.191 -5.959 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.540 -5.777 10.374 1.00 0.00 H new ATOM 0 HE ARG A 13 3.292 -8.596 10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.455 -5.784 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.635 -6.763 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.524 -9.863 11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.674 -9.079 13.527 1.00 0.00 H new ATOM 180 N SER A 14 3.782 -4.910 6.002 1.00 0.00 N ATOM 181 CA SER A 14 4.590 -5.283 4.853 1.00 0.00 C ATOM 182 C SER A 14 5.680 -6.269 5.277 1.00 0.00 C ATOM 183 O SER A 14 5.713 -6.706 6.426 1.00 0.00 O ATOM 184 CB SER A 14 5.215 -4.051 4.196 1.00 0.00 C ATOM 185 OG SER A 14 5.898 -3.231 5.141 1.00 0.00 O ATOM 0 H SER A 14 4.302 -4.483 6.769 1.00 0.00 H new ATOM 0 HA SER A 14 3.941 -5.762 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.912 -4.368 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.436 -3.467 3.705 1.00 0.00 H new ATOM 0 HG SER A 14 5.878 -3.661 6.022 1.00 0.00 H new ATOM 191 N ARG A 15 6.544 -6.591 4.326 1.00 0.00 N ATOM 192 CA ARG A 15 7.633 -7.518 4.586 1.00 0.00 C ATOM 193 C ARG A 15 8.896 -6.753 4.987 1.00 0.00 C ATOM 194 O ARG A 15 10.009 -7.233 4.776 1.00 0.00 O ATOM 195 CB ARG A 15 7.932 -8.376 3.356 1.00 0.00 C ATOM 196 CG ARG A 15 8.352 -7.505 2.169 1.00 0.00 C ATOM 197 CD ARG A 15 9.028 -8.346 1.084 1.00 0.00 C ATOM 198 NE ARG A 15 10.499 -8.272 1.230 1.00 0.00 N ATOM 199 CZ ARG A 15 11.361 -9.027 0.536 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.906 -9.918 -0.355 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.680 -8.893 0.734 1.00 0.00 N ATOM 0 H ARG A 15 6.512 -6.227 3.374 1.00 0.00 H new ATOM 0 HA ARG A 15 7.325 -8.171 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.725 -9.087 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.049 -8.958 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.478 -7.004 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.035 -6.726 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.699 -9.382 1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.734 -7.987 0.098 1.00 0.00 H new ATOM 0 HE ARG A 15 10.880 -7.605 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.903 -10.022 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.563 -10.492 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.028 -8.216 1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.336 -9.468 0.205 1.00 0.00 H new ATOM 215 N ASP A 16 8.682 -5.577 5.557 1.00 0.00 N ATOM 216 CA ASP A 16 9.789 -4.742 5.989 1.00 0.00 C ATOM 217 C ASP A 16 9.322 -3.829 7.125 1.00 0.00 C ATOM 218 O ASP A 16 9.857 -2.737 7.308 1.00 0.00 O ATOM 219 CB ASP A 16 10.289 -3.856 4.846 1.00 0.00 C ATOM 220 CG ASP A 16 11.797 -3.599 4.839 1.00 0.00 C ATOM 221 OD1 ASP A 16 12.544 -4.601 4.881 1.00 0.00 O ATOM 222 OD2 ASP A 16 12.170 -2.407 4.791 1.00 0.00 O ATOM 0 H ASP A 16 7.757 -5.182 5.730 1.00 0.00 H new ATOM 0 HA ASP A 16 10.596 -5.397 6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.010 -4.319 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.773 -2.897 4.897 1.00 0.00 H new ATOM 227 N GLY A 17 8.329 -4.311 7.857 1.00 0.00 N ATOM 228 CA GLY A 17 7.784 -3.552 8.970 1.00 0.00 C ATOM 229 C GLY A 17 6.348 -3.110 8.681 1.00 0.00 C ATOM 230 O GLY A 17 5.839 -3.322 7.581 1.00 0.00 O ATOM 0 H GLY A 17 7.888 -5.217 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.806 -4.160 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.407 -2.677 9.158 1.00 0.00 H new ATOM 234 N LEU A 18 5.736 -2.503 9.687 1.00 0.00 N ATOM 235 CA LEU A 18 4.369 -2.028 9.554 1.00 0.00 C ATOM 236 C LEU A 18 4.381 -0.591 9.028 1.00 0.00 C ATOM 237 O LEU A 18 5.082 0.264 9.566 1.00 0.00 O ATOM 238 CB LEU A 18 3.614 -2.193 10.874 1.00 0.00 C ATOM 239 CG LEU A 18 2.311 -1.402 11.005 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.095 -2.315 10.829 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.265 -0.636 12.329 1.00 0.00 C ATOM 0 H LEU A 18 6.161 -2.329 10.598 1.00 0.00 H new ATOM 0 HA LEU A 18 3.826 -2.630 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.389 -3.251 11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.277 -1.900 11.688 1.00 0.00 H new ATOM 0 HG LEU A 18 2.278 -0.663 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.182 -1.728 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.126 -2.776 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.110 -3.092 11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.329 -0.082 12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.331 -1.340 13.159 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.102 0.060 12.376 1.00 0.00 H new ATOM 253 N GLU A 19 3.596 -0.371 7.984 1.00 0.00 N ATOM 254 CA GLU A 19 3.508 0.948 7.379 1.00 0.00 C ATOM 255 C GLU A 19 2.113 1.538 7.595 1.00 0.00 C ATOM 256 O GLU A 19 1.126 0.806 7.642 1.00 0.00 O ATOM 257 CB GLU A 19 3.856 0.893 5.890 1.00 0.00 C ATOM 258 CG GLU A 19 5.368 0.788 5.684 1.00 0.00 C ATOM 259 CD GLU A 19 5.725 -0.456 4.867 1.00 0.00 C ATOM 260 OE1 GLU A 19 4.854 -0.888 4.082 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.861 -0.946 5.047 1.00 0.00 O ATOM 0 H GLU A 19 3.015 -1.083 7.541 1.00 0.00 H new ATOM 0 HA GLU A 19 4.236 1.599 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.362 0.038 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.479 1.786 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.732 1.680 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.869 0.748 6.651 1.00 0.00 H new ATOM 268 N ARG A 20 2.077 2.857 7.721 1.00 0.00 N ATOM 269 CA ARG A 20 0.820 3.554 7.931 1.00 0.00 C ATOM 270 C ARG A 20 0.439 4.350 6.681 1.00 0.00 C ATOM 271 O ARG A 20 1.309 4.854 5.973 1.00 0.00 O ATOM 272 CB ARG A 20 0.911 4.506 9.126 1.00 0.00 C ATOM 273 CG ARG A 20 1.238 3.743 10.411 1.00 0.00 C ATOM 274 CD ARG A 20 -0.038 3.237 11.088 1.00 0.00 C ATOM 275 NE ARG A 20 -0.078 3.692 12.496 1.00 0.00 N ATOM 276 CZ ARG A 20 0.820 3.339 13.425 1.00 0.00 C ATOM 277 NH1 ARG A 20 1.835 2.525 13.102 1.00 0.00 N ATOM 278 NH2 ARG A 20 0.705 3.800 14.678 1.00 0.00 N ATOM 0 H ARG A 20 2.898 3.461 7.682 1.00 0.00 H new ATOM 0 HA ARG A 20 0.055 2.805 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.679 5.257 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.033 5.038 9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.891 2.901 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.784 4.393 11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.914 3.605 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.074 2.148 11.048 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.837 4.313 12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.924 2.174 12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.519 2.257 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.067 4.420 14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.389 3.531 15.385 1.00 0.00 H new ATOM 292 N VAL A 21 -0.862 4.437 6.448 1.00 0.00 N ATOM 293 CA VAL A 21 -1.369 5.163 5.296 1.00 0.00 C ATOM 294 C VAL A 21 -2.616 5.951 5.703 1.00 0.00 C ATOM 295 O VAL A 21 -3.273 5.615 6.687 1.00 0.00 O ATOM 296 CB VAL A 21 -1.625 4.195 4.139 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.363 4.892 2.994 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.317 3.570 3.648 1.00 0.00 C ATOM 0 H VAL A 21 -1.581 4.017 7.037 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.631 5.883 4.943 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.263 3.392 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.532 4.182 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.321 5.267 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.762 5.724 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.527 2.886 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.355 4.356 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.153 3.022 4.464 1.00 0.00 H new ATOM 308 N SER A 22 -2.904 6.984 4.925 1.00 0.00 N ATOM 309 CA SER A 22 -4.061 7.822 5.192 1.00 0.00 C ATOM 310 C SER A 22 -5.163 7.534 4.171 1.00 0.00 C ATOM 311 O SER A 22 -4.911 7.518 2.967 1.00 0.00 O ATOM 312 CB SER A 22 -3.685 9.305 5.162 1.00 0.00 C ATOM 313 OG SER A 22 -4.676 10.120 5.782 1.00 0.00 O ATOM 0 H SER A 22 -2.356 7.260 4.110 1.00 0.00 H new ATOM 0 HA SER A 22 -4.430 7.588 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.730 9.447 5.668 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.548 9.623 4.129 1.00 0.00 H new ATOM 0 HG SER A 22 -4.398 11.059 5.744 1.00 0.00 H new ATOM 319 N VAL A 23 -6.362 7.312 4.689 1.00 0.00 N ATOM 320 CA VAL A 23 -7.504 7.025 3.838 1.00 0.00 C ATOM 321 C VAL A 23 -8.604 8.054 4.103 1.00 0.00 C ATOM 322 O VAL A 23 -8.354 9.093 4.712 1.00 0.00 O ATOM 323 CB VAL A 23 -7.969 5.584 4.054 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.777 4.627 4.119 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.832 5.469 5.312 1.00 0.00 C ATOM 0 H VAL A 23 -6.567 7.325 5.688 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.227 7.109 2.787 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.582 5.299 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.135 3.609 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.219 4.677 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.127 4.912 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.149 4.434 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.253 5.783 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.710 6.108 5.211 1.00 0.00 H new ATOM 335 N ASP A 24 -9.800 7.730 3.633 1.00 0.00 N ATOM 336 CA ASP A 24 -10.939 8.614 3.812 1.00 0.00 C ATOM 337 C ASP A 24 -11.977 7.927 4.702 1.00 0.00 C ATOM 338 O ASP A 24 -12.508 8.538 5.627 1.00 0.00 O ATOM 339 CB ASP A 24 -11.604 8.934 2.472 1.00 0.00 C ATOM 340 CG ASP A 24 -10.787 9.836 1.544 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.734 11.050 1.835 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.234 9.290 0.564 1.00 0.00 O ATOM 0 H ASP A 24 -10.005 6.867 3.128 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.581 9.538 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.812 7.998 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.565 9.411 2.665 1.00 0.00 H new ATOM 347 N GLY A 25 -12.234 6.665 4.390 1.00 0.00 N ATOM 348 CA GLY A 25 -13.199 5.888 5.150 1.00 0.00 C ATOM 349 C GLY A 25 -13.593 4.615 4.398 1.00 0.00 C ATOM 350 O GLY A 25 -12.883 4.180 3.493 1.00 0.00 O ATOM 0 H GLY A 25 -11.791 6.161 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.777 5.626 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.087 6.491 5.341 1.00 0.00 H new ATOM 354 N PRO A 26 -14.753 4.039 4.812 1.00 0.00 N ATOM 355 CA PRO A 26 -15.250 2.825 4.187 1.00 0.00 C ATOM 356 C PRO A 26 -15.847 3.121 2.810 1.00 0.00 C ATOM 357 O PRO A 26 -15.909 2.241 1.953 1.00 0.00 O ATOM 358 CB PRO A 26 -16.268 2.266 5.168 1.00 0.00 C ATOM 359 CG PRO A 26 -16.643 3.421 6.082 1.00 0.00 C ATOM 360 CD PRO A 26 -15.620 4.527 5.880 1.00 0.00 C ATOM 0 HA PRO A 26 -14.461 2.098 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.144 1.881 4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.847 1.438 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.645 3.781 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.654 3.096 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.101 5.465 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.056 4.716 6.793 1.00 0.00 H new ATOM 368 N HIS A 27 -16.272 4.365 2.640 1.00 0.00 N ATOM 369 CA HIS A 27 -16.862 4.788 1.381 1.00 0.00 C ATOM 370 C HIS A 27 -15.890 4.499 0.236 1.00 0.00 C ATOM 371 O HIS A 27 -16.290 4.456 -0.927 1.00 0.00 O ATOM 372 CB HIS A 27 -17.282 6.258 1.446 1.00 0.00 C ATOM 373 CG HIS A 27 -16.224 7.176 2.010 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.370 8.551 2.054 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.003 6.900 2.552 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.280 9.070 2.600 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.434 8.045 2.908 1.00 0.00 N ATOM 0 H HIS A 27 -16.219 5.093 3.353 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.772 4.218 1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.543 6.595 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.182 6.341 2.055 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.179 9.076 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.572 5.917 2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.094 10.120 2.771 1.00 0.00 H new ATOM 385 N ILE A 28 -14.631 4.310 0.604 1.00 0.00 N ATOM 386 CA ILE A 28 -13.599 4.026 -0.379 1.00 0.00 C ATOM 387 C ILE A 28 -13.526 2.516 -0.614 1.00 0.00 C ATOM 388 O ILE A 28 -13.839 1.729 0.278 1.00 0.00 O ATOM 389 CB ILE A 28 -12.268 4.647 0.049 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.629 3.846 1.186 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.443 6.122 0.415 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.411 3.064 0.689 1.00 0.00 C ATOM 0 H ILE A 28 -14.302 4.348 1.569 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.847 4.486 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.584 4.605 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.330 4.521 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.361 3.157 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.482 6.539 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.822 6.669 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.151 6.211 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.976 2.504 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.718 2.373 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.670 3.758 0.292 1.00 0.00 H new ATOM 404 N THR A 29 -13.112 2.157 -1.820 1.00 0.00 N ATOM 405 CA THR A 29 -12.994 0.755 -2.184 1.00 0.00 C ATOM 406 C THR A 29 -11.522 0.346 -2.262 1.00 0.00 C ATOM 407 O THR A 29 -10.636 1.200 -2.262 1.00 0.00 O ATOM 408 CB THR A 29 -13.754 0.542 -3.495 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.170 1.481 -4.392 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.218 0.977 -3.401 1.00 0.00 C ATOM 0 H THR A 29 -12.854 2.812 -2.558 1.00 0.00 H new ATOM 0 HA THR A 29 -13.438 0.111 -1.425 1.00 0.00 H new ATOM 0 HB THR A 29 -13.705 -0.510 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.603 1.410 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.711 0.805 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.720 0.399 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.267 2.037 -3.153 1.00 0.00 H new ATOM 418 N VAL A 30 -11.306 -0.959 -2.326 1.00 0.00 N ATOM 419 CA VAL A 30 -9.956 -1.492 -2.404 1.00 0.00 C ATOM 420 C VAL A 30 -9.171 -0.725 -3.470 1.00 0.00 C ATOM 421 O VAL A 30 -7.989 -0.439 -3.289 1.00 0.00 O ATOM 422 CB VAL A 30 -10.003 -2.999 -2.665 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.598 -3.557 -2.902 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.698 -3.733 -1.516 1.00 0.00 C ATOM 0 H VAL A 30 -12.043 -1.664 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.436 -1.356 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.587 -3.165 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.659 -4.630 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.153 -3.066 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.980 -3.373 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.718 -4.802 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.153 -3.556 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.719 -3.364 -1.413 1.00 0.00 H new ATOM 434 N SER A 31 -9.860 -0.414 -4.558 1.00 0.00 N ATOM 435 CA SER A 31 -9.242 0.315 -5.653 1.00 0.00 C ATOM 436 C SER A 31 -8.670 1.639 -5.143 1.00 0.00 C ATOM 437 O SER A 31 -7.563 2.025 -5.515 1.00 0.00 O ATOM 438 CB SER A 31 -10.244 0.568 -6.781 1.00 0.00 C ATOM 439 OG SER A 31 -10.072 1.855 -7.369 1.00 0.00 O ATOM 0 H SER A 31 -10.841 -0.654 -4.705 1.00 0.00 H new ATOM 0 HA SER A 31 -8.431 -0.293 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.129 -0.199 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.258 0.480 -6.392 1.00 0.00 H new ATOM 0 HG SER A 31 -10.729 1.978 -8.086 1.00 0.00 H new ATOM 445 N GLN A 32 -9.451 2.299 -4.300 1.00 0.00 N ATOM 446 CA GLN A 32 -9.036 3.572 -3.736 1.00 0.00 C ATOM 447 C GLN A 32 -7.982 3.352 -2.648 1.00 0.00 C ATOM 448 O GLN A 32 -7.078 4.169 -2.480 1.00 0.00 O ATOM 449 CB GLN A 32 -10.236 4.346 -3.188 1.00 0.00 C ATOM 450 CG GLN A 32 -11.216 4.702 -4.308 1.00 0.00 C ATOM 451 CD GLN A 32 -11.784 6.109 -4.113 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.132 7.110 -4.361 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.033 6.129 -3.655 1.00 0.00 N ATOM 0 H GLN A 32 -10.369 1.976 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.591 4.171 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.744 3.748 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.893 5.257 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.710 4.640 -5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.030 3.977 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.522 5.253 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.502 7.020 -3.491 1.00 0.00 H new ATOM 462 N LEU A 33 -8.135 2.244 -1.936 1.00 0.00 N ATOM 463 CA LEU A 33 -7.208 1.907 -0.869 1.00 0.00 C ATOM 464 C LEU A 33 -5.810 1.706 -1.458 1.00 0.00 C ATOM 465 O LEU A 33 -4.859 2.371 -1.049 1.00 0.00 O ATOM 466 CB LEU A 33 -7.720 0.703 -0.076 1.00 0.00 C ATOM 467 CG LEU A 33 -7.170 0.552 1.344 1.00 0.00 C ATOM 468 CD1 LEU A 33 -7.816 -0.636 2.059 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.643 0.453 1.333 1.00 0.00 C ATOM 0 H LEU A 33 -8.887 1.569 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.138 2.725 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.807 0.766 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.483 -0.202 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.431 1.448 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.407 -0.721 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.894 -0.484 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.608 -1.551 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.278 0.346 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.339 -0.414 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.223 1.356 0.890 1.00 0.00 H new ATOM 481 N LYS A 34 -5.730 0.788 -2.409 1.00 0.00 N ATOM 482 CA LYS A 34 -4.464 0.491 -3.058 1.00 0.00 C ATOM 483 C LYS A 34 -3.855 1.788 -3.595 1.00 0.00 C ATOM 484 O LYS A 34 -2.798 2.219 -3.135 1.00 0.00 O ATOM 485 CB LYS A 34 -4.649 -0.589 -4.126 1.00 0.00 C ATOM 486 CG LYS A 34 -4.644 -1.985 -3.500 1.00 0.00 C ATOM 487 CD LYS A 34 -5.532 -2.945 -4.294 1.00 0.00 C ATOM 488 CE LYS A 34 -5.452 -4.363 -3.725 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.901 -5.351 -4.731 1.00 0.00 N ATOM 0 H LYS A 34 -6.521 0.240 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.756 0.078 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.589 -0.426 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.851 -0.515 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.625 -2.369 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.995 -1.927 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.564 -2.597 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.224 -2.951 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.428 -4.583 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.071 -4.438 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.760 -5.828 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.108 -4.865 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.151 -6.056 -4.884 1.00 0.00 H new ATOM 503 N THR A 35 -4.548 2.375 -4.560 1.00 0.00 N ATOM 504 CA THR A 35 -4.088 3.614 -5.164 1.00 0.00 C ATOM 505 C THR A 35 -3.446 4.516 -4.108 1.00 0.00 C ATOM 506 O THR A 35 -2.348 5.031 -4.311 1.00 0.00 O ATOM 507 CB THR A 35 -5.278 4.263 -5.875 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.386 3.542 -7.099 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.985 5.699 -6.313 1.00 0.00 C ATOM 0 H THR A 35 -5.424 2.016 -4.938 1.00 0.00 H new ATOM 0 HA THR A 35 -3.310 3.428 -5.904 1.00 0.00 H new ATOM 0 HB THR A 35 -6.145 4.255 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.077 2.852 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.861 6.113 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.745 6.304 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.139 5.704 -7.001 1.00 0.00 H new ATOM 517 N LEU A 36 -4.159 4.680 -3.003 1.00 0.00 N ATOM 518 CA LEU A 36 -3.672 5.511 -1.915 1.00 0.00 C ATOM 519 C LEU A 36 -2.263 5.059 -1.525 1.00 0.00 C ATOM 520 O LEU A 36 -1.337 5.868 -1.487 1.00 0.00 O ATOM 521 CB LEU A 36 -4.664 5.503 -0.750 1.00 0.00 C ATOM 522 CG LEU A 36 -5.759 6.571 -0.794 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.784 6.352 0.320 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.156 7.976 -0.751 1.00 0.00 C ATOM 0 H LEU A 36 -5.070 4.252 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.597 6.551 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.141 4.524 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.105 5.622 0.178 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.290 6.478 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.551 7.125 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.247 5.372 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.286 6.403 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.955 8.716 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.585 8.099 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.497 8.116 -1.608 1.00 0.00 H new ATOM 536 N ILE A 37 -2.145 3.770 -1.245 1.00 0.00 N ATOM 537 CA ILE A 37 -0.865 3.201 -0.860 1.00 0.00 C ATOM 538 C ILE A 37 0.090 3.252 -2.054 1.00 0.00 C ATOM 539 O ILE A 37 1.217 3.730 -1.933 1.00 0.00 O ATOM 540 CB ILE A 37 -1.054 1.797 -0.282 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.359 1.858 1.216 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.156 0.912 -0.586 1.00 0.00 C ATOM 543 CD1 ILE A 37 -2.775 1.357 1.508 1.00 0.00 C ATOM 0 H ILE A 37 -2.916 3.103 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.411 3.789 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.916 1.340 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.635 1.253 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.251 2.883 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.004 -0.080 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.286 0.831 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.050 1.354 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.966 1.411 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.497 1.979 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.872 0.324 1.174 1.00 0.00 H new ATOM 555 N GLN A 38 -0.395 2.750 -3.181 1.00 0.00 N ATOM 556 CA GLN A 38 0.402 2.732 -4.396 1.00 0.00 C ATOM 557 C GLN A 38 1.091 4.083 -4.599 1.00 0.00 C ATOM 558 O GLN A 38 2.149 4.156 -5.223 1.00 0.00 O ATOM 559 CB GLN A 38 -0.456 2.366 -5.609 1.00 0.00 C ATOM 560 CG GLN A 38 0.165 2.900 -6.901 1.00 0.00 C ATOM 561 CD GLN A 38 -0.459 4.241 -7.295 1.00 0.00 C ATOM 562 OE1 GLN A 38 0.149 5.293 -7.188 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.703 4.144 -7.757 1.00 0.00 N ATOM 0 H GLN A 38 -1.330 2.353 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 38 1.171 1.966 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.560 1.283 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.459 2.776 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.240 3.020 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.020 2.177 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.154 3.231 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.206 4.982 -8.048 1.00 0.00 H new ATOM 572 N ASP A 39 0.463 5.118 -4.061 1.00 0.00 N ATOM 573 CA ASP A 39 1.003 6.462 -4.176 1.00 0.00 C ATOM 574 C ASP A 39 1.864 6.768 -2.949 1.00 0.00 C ATOM 575 O ASP A 39 3.062 7.018 -3.074 1.00 0.00 O ATOM 576 CB ASP A 39 -0.118 7.502 -4.238 1.00 0.00 C ATOM 577 CG ASP A 39 0.228 8.781 -5.003 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.592 8.651 -6.192 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.122 9.860 -4.381 1.00 0.00 O ATOM 0 H ASP A 39 -0.414 5.053 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 39 1.593 6.511 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.992 7.045 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.401 7.771 -3.220 1.00 0.00 H new ATOM 584 N GLN A 40 1.221 6.737 -1.792 1.00 0.00 N ATOM 585 CA GLN A 40 1.913 7.008 -0.543 1.00 0.00 C ATOM 586 C GLN A 40 3.144 6.109 -0.413 1.00 0.00 C ATOM 587 O GLN A 40 4.259 6.598 -0.240 1.00 0.00 O ATOM 588 CB GLN A 40 0.976 6.831 0.653 1.00 0.00 C ATOM 589 CG GLN A 40 0.110 8.075 0.861 1.00 0.00 C ATOM 590 CD GLN A 40 -0.945 7.835 1.942 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.664 7.828 3.129 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.172 7.639 1.467 1.00 0.00 N ATOM 0 H GLN A 40 0.228 6.528 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 40 2.244 8.046 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.338 5.962 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.561 6.636 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.740 8.918 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.379 8.343 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.338 7.658 0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.946 7.470 2.109 1.00 0.00 H new ATOM 601 N LEU A 41 2.900 4.810 -0.502 1.00 0.00 N ATOM 602 CA LEU A 41 3.975 3.838 -0.396 1.00 0.00 C ATOM 603 C LEU A 41 4.768 3.817 -1.704 1.00 0.00 C ATOM 604 O LEU A 41 5.891 3.316 -1.746 1.00 0.00 O ATOM 605 CB LEU A 41 3.423 2.470 0.010 1.00 0.00 C ATOM 606 CG LEU A 41 2.627 2.429 1.316 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.495 0.995 1.833 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.241 3.362 2.362 1.00 0.00 C ATOM 0 H LEU A 41 1.974 4.408 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 41 4.669 4.123 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.783 2.105 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.258 1.774 0.094 1.00 0.00 H new ATOM 0 HG LEU A 41 1.619 2.792 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.925 0.994 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.979 0.387 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.487 0.581 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.656 3.314 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.266 3.053 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.239 4.384 1.984 1.00 0.00 H new ATOM 620 N GLN A 42 4.153 4.367 -2.741 1.00 0.00 N ATOM 621 CA GLN A 42 4.787 4.417 -4.047 1.00 0.00 C ATOM 622 C GLN A 42 5.057 3.002 -4.562 1.00 0.00 C ATOM 623 O GLN A 42 6.202 2.643 -4.831 1.00 0.00 O ATOM 624 CB GLN A 42 6.078 5.238 -3.998 1.00 0.00 C ATOM 625 CG GLN A 42 5.790 6.691 -3.616 1.00 0.00 C ATOM 626 CD GLN A 42 5.027 7.410 -4.730 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.890 6.921 -5.840 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.540 8.595 -4.374 1.00 0.00 N ATOM 0 H GLN A 42 3.222 4.782 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 42 4.106 4.911 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.766 4.798 -3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.571 5.205 -4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.208 6.720 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.727 7.211 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.691 8.945 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.015 9.154 -5.047 1.00 0.00 H new ATOM 637 N ILE A 43 3.982 2.236 -4.683 1.00 0.00 N ATOM 638 CA ILE A 43 4.088 0.868 -5.161 1.00 0.00 C ATOM 639 C ILE A 43 2.982 0.603 -6.184 1.00 0.00 C ATOM 640 O ILE A 43 1.863 1.091 -6.035 1.00 0.00 O ATOM 641 CB ILE A 43 4.086 -0.111 -3.985 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.228 0.195 -3.014 1.00 0.00 C ATOM 643 CG2 ILE A 43 4.125 -1.559 -4.478 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.926 -0.357 -1.620 1.00 0.00 C ATOM 0 H ILE A 43 3.034 2.537 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 43 5.038 0.715 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 43 3.154 0.017 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.155 -0.240 -3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.382 1.273 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.123 -2.235 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.251 -1.756 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.029 -1.719 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.754 -0.126 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.012 0.098 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.796 -1.438 -1.677 1.00 0.00 H new ATOM 656 N PRO A 44 3.343 -0.191 -7.228 1.00 0.00 N ATOM 657 CA PRO A 44 2.395 -0.527 -8.276 1.00 0.00 C ATOM 658 C PRO A 44 1.386 -1.569 -7.788 1.00 0.00 C ATOM 659 O PRO A 44 1.769 -2.651 -7.347 1.00 0.00 O ATOM 660 CB PRO A 44 3.246 -1.021 -9.434 1.00 0.00 C ATOM 661 CG PRO A 44 4.596 -1.383 -8.834 1.00 0.00 C ATOM 662 CD PRO A 44 4.660 -0.787 -7.437 1.00 0.00 C ATOM 0 HA PRO A 44 1.787 0.324 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.788 -1.885 -9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.352 -0.250 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.718 -2.465 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.405 -0.994 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.872 -1.552 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.450 -0.039 -7.361 1.00 0.00 H new ATOM 670 N ILE A 45 0.115 -1.205 -7.885 1.00 0.00 N ATOM 671 CA ILE A 45 -0.952 -2.095 -7.459 1.00 0.00 C ATOM 672 C ILE A 45 -0.741 -3.474 -8.087 1.00 0.00 C ATOM 673 O ILE A 45 -0.894 -4.495 -7.418 1.00 0.00 O ATOM 674 CB ILE A 45 -2.318 -1.480 -7.770 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.400 -0.040 -7.260 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.449 -2.350 -7.217 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.847 0.459 -7.257 1.00 0.00 C ATOM 0 H ILE A 45 -0.199 -0.307 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.927 -2.230 -6.378 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.439 -1.445 -8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.990 0.016 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.789 0.608 -7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.409 -1.891 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.400 -3.341 -7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.344 -2.439 -6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.877 1.485 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.246 0.424 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.450 -0.176 -6.608 1.00 0.00 H new ATOM 689 N HIS A 46 -0.393 -3.460 -9.365 1.00 0.00 N ATOM 690 CA HIS A 46 -0.159 -4.697 -10.091 1.00 0.00 C ATOM 691 C HIS A 46 0.776 -5.598 -9.281 1.00 0.00 C ATOM 692 O HIS A 46 0.795 -6.813 -9.475 1.00 0.00 O ATOM 693 CB HIS A 46 0.366 -4.411 -11.499 1.00 0.00 C ATOM 694 CG HIS A 46 1.763 -3.839 -11.529 1.00 0.00 C ATOM 695 ND1 HIS A 46 2.102 -2.728 -12.281 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.902 -4.234 -10.891 1.00 0.00 C ATOM 697 CE1 HIS A 46 3.390 -2.476 -12.097 1.00 0.00 C ATOM 698 NE2 HIS A 46 3.884 -3.411 -11.236 1.00 0.00 N ATOM 0 H HIS A 46 -0.267 -2.611 -9.917 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.101 -5.231 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.351 -5.336 -12.076 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.311 -3.715 -11.994 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.990 -5.075 -10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.950 -1.671 -12.550 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.849 -3.468 -10.911 1.00 0.00 H new ATOM 706 N ASN A 47 1.528 -4.968 -8.392 1.00 0.00 N ATOM 707 CA ASN A 47 2.463 -5.698 -7.552 1.00 0.00 C ATOM 708 C ASN A 47 1.888 -5.817 -6.139 1.00 0.00 C ATOM 709 O ASN A 47 2.076 -6.833 -5.472 1.00 0.00 O ATOM 710 CB ASN A 47 3.804 -4.967 -7.456 1.00 0.00 C ATOM 711 CG ASN A 47 4.739 -5.385 -8.593 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.510 -6.357 -9.294 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.802 -4.599 -8.736 1.00 0.00 N ATOM 0 H ASN A 47 1.510 -3.960 -8.234 1.00 0.00 H new ATOM 0 HA ASN A 47 2.619 -6.681 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.639 -3.890 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.273 -5.184 -6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.486 -4.794 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.933 -3.801 -8.115 1.00 0.00 H new ATOM 720 N GLN A 48 1.198 -4.764 -5.725 1.00 0.00 N ATOM 721 CA GLN A 48 0.594 -4.738 -4.404 1.00 0.00 C ATOM 722 C GLN A 48 -0.441 -5.856 -4.271 1.00 0.00 C ATOM 723 O GLN A 48 -1.198 -6.120 -5.204 1.00 0.00 O ATOM 724 CB GLN A 48 -0.033 -3.373 -4.115 1.00 0.00 C ATOM 725 CG GLN A 48 0.949 -2.241 -4.426 1.00 0.00 C ATOM 726 CD GLN A 48 0.676 -1.021 -3.544 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.335 -0.785 -2.544 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.329 -0.260 -3.968 1.00 0.00 N ATOM 0 H GLN A 48 1.044 -3.923 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 48 1.377 -4.905 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.936 -3.250 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.334 -3.321 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.970 -2.587 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.866 -1.961 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.840 -0.514 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.589 0.578 -3.448 1.00 0.00 H new ATOM 737 N THR A 49 -0.441 -6.484 -3.104 1.00 0.00 N ATOM 738 CA THR A 49 -1.371 -7.568 -2.838 1.00 0.00 C ATOM 739 C THR A 49 -1.989 -7.411 -1.447 1.00 0.00 C ATOM 740 O THR A 49 -1.349 -7.714 -0.442 1.00 0.00 O ATOM 741 CB THR A 49 -0.623 -8.890 -3.024 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.637 -9.100 -4.434 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.396 -10.084 -2.461 1.00 0.00 C ATOM 0 H THR A 49 0.188 -6.263 -2.332 1.00 0.00 H new ATOM 0 HA THR A 49 -2.208 -7.551 -3.536 1.00 0.00 H new ATOM 0 HB THR A 49 0.351 -8.828 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.171 -9.936 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.821 -10.997 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.562 -9.940 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.357 -10.168 -2.969 1.00 0.00 H new ATOM 751 N LEU A 50 -3.226 -6.937 -1.435 1.00 0.00 N ATOM 752 CA LEU A 50 -3.938 -6.735 -0.184 1.00 0.00 C ATOM 753 C LEU A 50 -4.611 -8.045 0.232 1.00 0.00 C ATOM 754 O LEU A 50 -5.132 -8.774 -0.611 1.00 0.00 O ATOM 755 CB LEU A 50 -4.906 -5.557 -0.302 1.00 0.00 C ATOM 756 CG LEU A 50 -4.267 -4.178 -0.477 1.00 0.00 C ATOM 757 CD1 LEU A 50 -5.185 -3.076 0.055 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.881 -4.131 0.169 1.00 0.00 C ATOM 0 H LEU A 50 -3.754 -6.687 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.242 -6.467 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.567 -5.739 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.531 -5.535 0.591 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.132 -3.997 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.706 -2.106 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.129 -3.095 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.374 -3.241 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.448 -3.140 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.969 -4.343 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.237 -4.876 -0.297 1.00 0.00 H new ATOM 770 N SER A 51 -4.578 -8.304 1.531 1.00 0.00 N ATOM 771 CA SER A 51 -5.178 -9.513 2.068 1.00 0.00 C ATOM 772 C SER A 51 -5.454 -9.340 3.563 1.00 0.00 C ATOM 773 O SER A 51 -5.034 -8.354 4.166 1.00 0.00 O ATOM 774 CB SER A 51 -4.278 -10.727 1.831 1.00 0.00 C ATOM 775 OG SER A 51 -4.971 -11.955 2.040 1.00 0.00 O ATOM 0 H SER A 51 -4.145 -7.697 2.227 1.00 0.00 H new ATOM 0 HA SER A 51 -6.120 -9.687 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.891 -10.698 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.419 -10.677 2.500 1.00 0.00 H new ATOM 0 HG SER A 51 -5.924 -11.830 1.848 1.00 0.00 H new ATOM 781 N THR A 52 -6.159 -10.315 4.119 1.00 0.00 N ATOM 782 CA THR A 52 -6.496 -10.283 5.532 1.00 0.00 C ATOM 783 C THR A 52 -5.890 -11.490 6.252 1.00 0.00 C ATOM 784 O THR A 52 -6.490 -12.028 7.181 1.00 0.00 O ATOM 785 CB THR A 52 -8.019 -10.205 5.653 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.494 -11.045 4.604 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.565 -8.821 5.299 1.00 0.00 C ATOM 0 H THR A 52 -6.506 -11.132 3.616 1.00 0.00 H new ATOM 0 HA THR A 52 -6.071 -9.406 6.020 1.00 0.00 H new ATOM 0 HB THR A 52 -8.316 -10.462 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.474 -11.054 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.650 -8.821 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.137 -8.078 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.298 -8.576 4.271 1.00 0.00 H new ATOM 795 N ASN A 53 -4.708 -11.878 5.796 1.00 0.00 N ATOM 796 CA ASN A 53 -4.015 -13.011 6.385 1.00 0.00 C ATOM 797 C ASN A 53 -2.510 -12.733 6.395 1.00 0.00 C ATOM 798 O ASN A 53 -1.896 -12.579 5.340 1.00 0.00 O ATOM 799 CB ASN A 53 -4.254 -14.286 5.573 1.00 0.00 C ATOM 800 CG ASN A 53 -4.418 -15.498 6.493 1.00 0.00 C ATOM 801 OD1 ASN A 53 -4.117 -15.459 7.674 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.912 -16.574 5.886 1.00 0.00 N ATOM 0 H ASN A 53 -4.213 -11.428 5.026 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.396 -13.151 7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.146 -14.168 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.418 -14.451 4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.060 -17.434 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.143 -16.538 4.893 1.00 0.00 H new ATOM 809 N ARG A 54 -1.959 -12.677 7.599 1.00 0.00 N ATOM 810 CA ARG A 54 -0.538 -12.420 7.761 1.00 0.00 C ATOM 811 C ARG A 54 0.277 -13.390 6.904 1.00 0.00 C ATOM 812 O ARG A 54 1.439 -13.126 6.596 1.00 0.00 O ATOM 813 CB ARG A 54 -0.116 -12.564 9.224 1.00 0.00 C ATOM 814 CG ARG A 54 -0.216 -14.020 9.683 1.00 0.00 C ATOM 815 CD ARG A 54 -1.394 -14.214 10.639 1.00 0.00 C ATOM 816 NE ARG A 54 -0.921 -14.800 11.913 1.00 0.00 N ATOM 817 CZ ARG A 54 -1.705 -15.470 12.768 1.00 0.00 C ATOM 818 NH1 ARG A 54 -3.004 -15.644 12.491 1.00 0.00 N ATOM 819 NH2 ARG A 54 -1.190 -15.967 13.901 1.00 0.00 N ATOM 0 H ARG A 54 -2.471 -12.805 8.472 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.347 -11.396 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.907 -12.210 9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.749 -11.937 9.852 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.335 -14.671 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.710 -14.314 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.881 -13.257 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.139 -14.866 10.184 1.00 0.00 H new ATOM 0 HE ARG A 54 0.063 -14.687 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.397 -15.266 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.600 -16.154 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.201 -15.835 14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.787 -16.477 14.552 1.00 0.00 H new ATOM 833 N ASN A 55 -0.363 -14.492 6.542 1.00 0.00 N ATOM 834 CA ASN A 55 0.289 -15.503 5.727 1.00 0.00 C ATOM 835 C ASN A 55 0.646 -14.902 4.366 1.00 0.00 C ATOM 836 O ASN A 55 1.422 -15.485 3.610 1.00 0.00 O ATOM 837 CB ASN A 55 -0.636 -16.698 5.488 1.00 0.00 C ATOM 838 CG ASN A 55 -0.717 -17.586 6.731 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.118 -18.444 6.968 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.766 -17.334 7.509 1.00 0.00 N ATOM 0 H ASN A 55 -1.327 -14.707 6.798 1.00 0.00 H new ATOM 0 HA ASN A 55 1.182 -15.838 6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.633 -16.344 5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.271 -17.282 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.909 -17.874 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.427 -16.601 7.252 1.00 0.00 H new ATOM 847 N LEU A 56 0.062 -13.744 4.095 1.00 0.00 N ATOM 848 CA LEU A 56 0.309 -13.057 2.838 1.00 0.00 C ATOM 849 C LEU A 56 1.783 -12.653 2.764 1.00 0.00 C ATOM 850 O LEU A 56 2.354 -12.572 1.678 1.00 0.00 O ATOM 851 CB LEU A 56 -0.660 -11.885 2.669 1.00 0.00 C ATOM 852 CG LEU A 56 -0.407 -10.975 1.465 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.717 -11.701 0.154 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.189 -9.666 1.594 1.00 0.00 C ATOM 0 H LEU A 56 -0.582 -13.264 4.724 1.00 0.00 H new ATOM 0 HA LEU A 56 0.118 -13.722 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.672 -12.284 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.625 -11.277 3.573 1.00 0.00 H new ATOM 0 HG LEU A 56 0.652 -10.718 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.529 -11.032 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.080 -12.581 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.763 -12.008 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.992 -9.037 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.256 -9.883 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.877 -9.144 2.499 1.00 0.00 H new ATOM 866 N LEU A 57 2.356 -12.409 3.934 1.00 0.00 N ATOM 867 CA LEU A 57 3.752 -12.014 4.015 1.00 0.00 C ATOM 868 C LEU A 57 4.638 -13.228 3.730 1.00 0.00 C ATOM 869 O LEU A 57 5.840 -13.087 3.513 1.00 0.00 O ATOM 870 CB LEU A 57 4.042 -11.343 5.359 1.00 0.00 C ATOM 871 CG LEU A 57 3.063 -10.248 5.787 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.379 -9.752 7.199 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.039 -9.106 4.770 1.00 0.00 C ATOM 0 H LEU A 57 1.879 -12.477 4.833 1.00 0.00 H new ATOM 0 HA LEU A 57 3.981 -11.266 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.056 -12.112 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.043 -10.913 5.319 1.00 0.00 H new ATOM 0 HG LEU A 57 2.061 -10.676 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.669 -8.974 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.304 -10.582 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.390 -9.346 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.335 -8.341 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.035 -8.671 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.730 -9.491 3.798 1.00 0.00 H new ATOM 885 N LEU A 58 4.009 -14.395 3.739 1.00 0.00 N ATOM 886 CA LEU A 58 4.726 -15.633 3.484 1.00 0.00 C ATOM 887 C LEU A 58 4.894 -15.818 1.975 1.00 0.00 C ATOM 888 O LEU A 58 5.971 -16.187 1.507 1.00 0.00 O ATOM 889 CB LEU A 58 4.028 -16.807 4.174 1.00 0.00 C ATOM 890 CG LEU A 58 3.809 -16.666 5.681 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.169 -17.928 6.263 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.114 -16.304 6.393 1.00 0.00 C ATOM 0 H LEU A 58 3.011 -14.509 3.919 1.00 0.00 H new ATOM 0 HA LEU A 58 5.727 -15.590 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.059 -16.958 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.614 -17.708 3.995 1.00 0.00 H new ATOM 0 HG LEU A 58 3.112 -15.845 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.024 -17.801 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.205 -18.101 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.821 -18.783 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.930 -16.210 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.853 -17.087 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.490 -15.357 6.005 1.00 0.00 H new ATOM 904 N ALA A 59 3.814 -15.554 1.254 1.00 0.00 N ATOM 905 CA ALA A 59 3.829 -15.687 -0.193 1.00 0.00 C ATOM 906 C ALA A 59 5.028 -14.924 -0.758 1.00 0.00 C ATOM 907 O ALA A 59 5.145 -13.714 -0.567 1.00 0.00 O ATOM 908 CB ALA A 59 2.499 -15.191 -0.765 1.00 0.00 C ATOM 0 H ALA A 59 2.923 -15.249 1.645 1.00 0.00 H new ATOM 0 HA ALA A 59 3.938 -16.732 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.510 -15.291 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.682 -15.785 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.356 -14.144 -0.498 1.00 0.00 H new ATOM 914 N LYS A 60 5.889 -15.662 -1.444 1.00 0.00 N ATOM 915 CA LYS A 60 7.075 -15.070 -2.039 1.00 0.00 C ATOM 916 C LYS A 60 6.933 -15.074 -3.562 1.00 0.00 C ATOM 917 O LYS A 60 7.472 -14.203 -4.242 1.00 0.00 O ATOM 918 CB LYS A 60 8.336 -15.776 -1.536 1.00 0.00 C ATOM 919 CG LYS A 60 8.559 -15.506 -0.047 1.00 0.00 C ATOM 920 CD LYS A 60 8.666 -16.816 0.737 1.00 0.00 C ATOM 921 CE LYS A 60 8.950 -16.547 2.216 1.00 0.00 C ATOM 922 NZ LYS A 60 8.632 -17.742 3.030 1.00 0.00 N ATOM 0 H LYS A 60 5.789 -16.665 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 60 7.177 -14.029 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.248 -16.849 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.200 -15.433 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.469 -14.922 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.736 -14.909 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.739 -17.380 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.461 -17.432 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.998 -16.278 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.357 -15.698 2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.830 -17.543 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.626 -17.981 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.216 -18.543 2.714 1.00 0.00 H new ATOM 936 N SER A 61 6.205 -16.066 -4.053 1.00 0.00 N ATOM 937 CA SER A 61 5.985 -16.196 -5.484 1.00 0.00 C ATOM 938 C SER A 61 4.698 -15.471 -5.883 1.00 0.00 C ATOM 939 O SER A 61 3.939 -15.027 -5.024 1.00 0.00 O ATOM 940 CB SER A 61 5.916 -17.667 -5.899 1.00 0.00 C ATOM 941 OG SER A 61 7.030 -18.047 -6.703 1.00 0.00 O ATOM 0 H SER A 61 5.760 -16.787 -3.486 1.00 0.00 H new ATOM 0 HA SER A 61 6.828 -15.739 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.881 -18.294 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.993 -17.845 -6.451 1.00 0.00 H new ATOM 0 HG SER A 61 6.950 -18.993 -6.946 1.00 0.00 H new ATOM 947 N PRO A 62 4.487 -15.370 -7.223 1.00 0.00 N ATOM 948 CA PRO A 62 3.306 -14.707 -7.747 1.00 0.00 C ATOM 949 C PRO A 62 2.065 -15.586 -7.583 1.00 0.00 C ATOM 950 O PRO A 62 1.015 -15.111 -7.155 1.00 0.00 O ATOM 951 CB PRO A 62 3.635 -14.408 -9.201 1.00 0.00 C ATOM 952 CG PRO A 62 4.794 -15.323 -9.563 1.00 0.00 C ATOM 953 CD PRO A 62 5.365 -15.884 -8.271 1.00 0.00 C ATOM 0 HA PRO A 62 3.066 -13.789 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.774 -14.596 -9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.908 -13.361 -9.332 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.455 -16.130 -10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.559 -14.772 -10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.373 -16.974 -8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.395 -15.560 -8.119 1.00 0.00 H new ATOM 961 N SER A 63 2.227 -16.854 -7.933 1.00 0.00 N ATOM 962 CA SER A 63 1.133 -17.805 -7.829 1.00 0.00 C ATOM 963 C SER A 63 0.682 -17.927 -6.373 1.00 0.00 C ATOM 964 O SER A 63 -0.481 -18.226 -6.102 1.00 0.00 O ATOM 965 CB SER A 63 1.540 -19.175 -8.376 1.00 0.00 C ATOM 966 OG SER A 63 0.409 -19.976 -8.705 1.00 0.00 O ATOM 0 H SER A 63 3.099 -17.245 -8.289 1.00 0.00 H new ATOM 0 HA SER A 63 0.302 -17.437 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.160 -19.042 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.149 -19.694 -7.636 1.00 0.00 H new ATOM 0 HG SER A 63 0.711 -20.841 -9.052 1.00 0.00 H new ATOM 972 N ASP A 64 1.624 -17.690 -5.472 1.00 0.00 N ATOM 973 CA ASP A 64 1.338 -17.770 -4.050 1.00 0.00 C ATOM 974 C ASP A 64 0.359 -16.658 -3.668 1.00 0.00 C ATOM 975 O ASP A 64 -0.623 -16.903 -2.969 1.00 0.00 O ATOM 976 CB ASP A 64 2.610 -17.585 -3.221 1.00 0.00 C ATOM 977 CG ASP A 64 2.905 -18.711 -2.228 1.00 0.00 C ATOM 978 OD1 ASP A 64 3.393 -19.764 -2.693 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.635 -18.494 -1.027 1.00 0.00 O ATOM 0 H ASP A 64 2.587 -17.442 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 64 0.915 -18.753 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.457 -17.489 -3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.534 -16.647 -2.671 1.00 0.00 H new ATOM 984 N PHE A 65 0.660 -15.458 -4.144 1.00 0.00 N ATOM 985 CA PHE A 65 -0.181 -14.308 -3.861 1.00 0.00 C ATOM 986 C PHE A 65 -1.575 -14.487 -4.465 1.00 0.00 C ATOM 987 O PHE A 65 -2.528 -13.837 -4.038 1.00 0.00 O ATOM 988 CB PHE A 65 0.490 -13.094 -4.507 1.00 0.00 C ATOM 989 CG PHE A 65 1.743 -12.612 -3.773 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.716 -12.438 -2.424 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.883 -12.357 -4.469 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.879 -11.990 -1.743 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.046 -11.910 -3.787 1.00 0.00 C ATOM 994 CZ PHE A 65 4.019 -11.736 -2.439 1.00 0.00 C ATOM 0 H PHE A 65 1.475 -15.258 -4.724 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.294 -14.185 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.756 -13.343 -5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.229 -12.276 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.811 -12.640 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.904 -12.494 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.858 -11.851 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.952 -11.708 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.903 -11.396 -1.921 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.650 -15.371 -5.449 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.912 -15.643 -6.116 1.00 0.00 C ATOM 1006 C LEU A 66 -3.827 -16.420 -5.169 1.00 0.00 C ATOM 1007 O LEU A 66 -5.015 -16.584 -5.443 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.670 -16.346 -7.453 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.904 -15.542 -8.506 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.486 -16.431 -9.678 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.716 -14.330 -8.967 1.00 0.00 C ATOM 0 H LEU A 66 -0.857 -15.908 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.423 -14.712 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.123 -17.269 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.636 -16.628 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.990 -15.163 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.944 -15.835 -10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.843 -17.233 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.373 -16.860 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.149 -13.776 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.658 -14.667 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.920 -13.683 -8.114 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.240 -16.879 -4.073 1.00 0.00 N ATOM 1024 CA ALA A 67 -3.988 -17.635 -3.084 1.00 0.00 C ATOM 1025 C ALA A 67 -4.867 -16.679 -2.275 1.00 0.00 C ATOM 1026 O ALA A 67 -5.874 -17.092 -1.701 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.017 -18.422 -2.201 1.00 0.00 C ATOM 0 H ALA A 67 -2.255 -16.741 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.645 -18.356 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.578 -18.989 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.437 -19.107 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.343 -17.731 -1.695 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.455 -15.421 -2.256 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.193 -14.403 -1.527 1.00 0.00 C ATOM 1035 C PHE A 68 -6.017 -13.535 -2.480 1.00 0.00 C ATOM 1036 O PHE A 68 -5.480 -12.643 -3.135 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.160 -13.523 -0.819 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.142 -14.304 0.013 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -2.054 -14.858 -0.588 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.324 -14.446 1.353 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.109 -15.583 0.184 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.378 -15.171 2.125 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.291 -15.725 1.525 1.00 0.00 C ATOM 0 H PHE A 68 -3.620 -15.083 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.879 -14.873 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.628 -12.933 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.681 -12.820 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.910 -14.746 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.188 -14.007 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.245 -16.022 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.522 -15.282 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.572 -16.277 2.112 1.00 0.00 H new ATOM 1053 N THR A 69 -7.309 -13.827 -2.527 1.00 0.00 N ATOM 1054 CA THR A 69 -8.213 -13.085 -3.389 1.00 0.00 C ATOM 1055 C THR A 69 -9.419 -12.585 -2.593 1.00 0.00 C ATOM 1056 O THR A 69 -10.556 -12.958 -2.881 1.00 0.00 O ATOM 1057 CB THR A 69 -8.592 -13.987 -4.565 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.320 -15.055 -3.963 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.378 -14.673 -5.194 1.00 0.00 C ATOM 0 H THR A 69 -7.751 -14.567 -1.982 1.00 0.00 H new ATOM 0 HA THR A 69 -7.734 -12.191 -3.788 1.00 0.00 H new ATOM 0 HB THR A 69 -9.108 -13.397 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.182 -14.721 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.704 -15.301 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.683 -13.918 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.880 -15.290 -4.446 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.131 -11.749 -1.606 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.178 -11.194 -0.766 1.00 0.00 C ATOM 1069 C ASP A 70 -10.334 -9.702 -1.070 1.00 0.00 C ATOM 1070 O ASP A 70 -11.451 -9.190 -1.125 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.830 -11.340 0.717 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.752 -12.380 1.028 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.868 -13.498 0.482 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -7.837 -12.033 1.806 1.00 0.00 O ATOM 0 H ASP A 70 -8.187 -11.443 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.100 -11.736 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.500 -10.372 1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.736 -11.603 1.263 1.00 0.00 H new ATOM 1079 N MET A 71 -9.198 -9.048 -1.260 1.00 0.00 N ATOM 1080 CA MET A 71 -9.194 -7.626 -1.557 1.00 0.00 C ATOM 1081 C MET A 71 -8.701 -7.365 -2.982 1.00 0.00 C ATOM 1082 O MET A 71 -8.206 -6.280 -3.283 1.00 0.00 O ATOM 1083 CB MET A 71 -8.287 -6.898 -0.562 1.00 0.00 C ATOM 1084 CG MET A 71 -8.886 -6.925 0.846 1.00 0.00 C ATOM 1085 SD MET A 71 -7.684 -6.344 2.031 1.00 0.00 S ATOM 1086 CE MET A 71 -7.609 -4.619 1.576 1.00 0.00 C ATOM 0 H MET A 71 -8.274 -9.477 -1.214 1.00 0.00 H new ATOM 0 HA MET A 71 -10.215 -7.254 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.303 -7.366 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.145 -5.865 -0.881 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.778 -6.299 0.883 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.197 -7.939 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.812 -4.129 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.409 -4.533 0.508 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.561 -4.140 1.806 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.854 -8.378 -3.822 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.431 -8.272 -5.208 1.00 0.00 C ATOM 1098 C ALA A 72 -9.473 -7.474 -5.995 1.00 0.00 C ATOM 1099 O ALA A 72 -9.157 -6.882 -7.026 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.213 -9.673 -5.784 1.00 0.00 C ATOM 0 H ALA A 72 -9.265 -9.277 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.483 -7.739 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.896 -9.594 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.444 -10.188 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.144 -10.237 -5.731 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.693 -7.483 -5.478 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.782 -6.767 -6.119 1.00 0.00 C ATOM 1108 C ASP A 73 -11.666 -5.276 -5.798 1.00 0.00 C ATOM 1109 O ASP A 73 -11.712 -4.883 -4.633 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.139 -7.257 -5.609 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.351 -6.527 -6.191 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.127 -5.669 -7.072 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.474 -6.844 -5.743 1.00 0.00 O ATOM 0 H ASP A 73 -10.951 -7.975 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.715 -6.943 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.232 -8.320 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.160 -7.157 -4.524 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.514 -4.465 -6.879 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.391 -3.026 -6.723 1.00 0.00 C ATOM 1120 C PRO A 74 -12.745 -2.392 -6.395 1.00 0.00 C ATOM 1121 O PRO A 74 -12.803 -1.325 -5.787 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.810 -2.536 -8.040 1.00 0.00 C ATOM 1123 CG PRO A 74 -11.062 -3.647 -9.046 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.455 -4.895 -8.273 1.00 0.00 C ATOM 0 HA PRO A 74 -10.746 -2.747 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.286 -1.608 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.744 -2.330 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.854 -3.362 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.168 -3.833 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.417 -5.282 -8.609 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.725 -5.692 -8.411 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.799 -3.077 -6.813 1.00 0.00 N ATOM 1133 CA ASN A 75 -15.148 -2.594 -6.571 1.00 0.00 C ATOM 1134 C ASN A 75 -15.598 -3.028 -5.174 1.00 0.00 C ATOM 1135 O ASN A 75 -16.737 -2.781 -4.780 1.00 0.00 O ATOM 1136 CB ASN A 75 -16.133 -3.178 -7.587 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.955 -2.527 -8.960 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.615 -1.562 -9.308 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.028 -3.106 -9.717 1.00 0.00 N ATOM 0 H ASN A 75 -13.746 -3.962 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.138 -1.508 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.981 -4.254 -7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.154 -3.025 -7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.833 -2.745 -10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.511 -3.912 -9.364 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.680 -3.666 -4.464 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.967 -4.136 -3.119 1.00 0.00 C ATOM 1148 C LEU A 76 -14.656 -3.023 -2.117 1.00 0.00 C ATOM 1149 O LEU A 76 -13.661 -2.314 -2.261 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.222 -5.443 -2.838 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.334 -5.985 -1.411 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.161 -7.272 -1.377 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.950 -6.176 -0.788 1.00 0.00 C ATOM 0 H LEU A 76 -13.737 -3.869 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.026 -4.371 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.592 -6.204 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.167 -5.293 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.861 -5.248 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.225 -7.636 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.164 -7.070 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.684 -8.028 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.057 -6.562 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.376 -6.883 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.429 -5.219 -0.759 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.525 -2.905 -1.124 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.355 -1.890 -0.098 1.00 0.00 C ATOM 1167 C ARG A 77 -14.725 -2.502 1.155 1.00 0.00 C ATOM 1168 O ARG A 77 -14.965 -3.667 1.469 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.695 -1.252 0.273 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.213 -0.364 -0.861 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.738 -0.254 -0.819 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.167 1.048 -1.378 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.385 1.578 -1.199 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.301 0.921 -0.475 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -20.686 2.764 -1.744 1.00 0.00 N ATOM 0 H ARG A 77 -16.349 -3.495 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.697 -1.119 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.425 -2.032 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.581 -0.659 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.771 0.629 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.901 -0.775 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.185 -1.069 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.090 -0.352 0.208 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.493 1.575 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.071 0.018 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.228 1.324 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.988 3.264 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.613 3.167 -1.608 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.932 -1.688 1.837 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.266 -2.135 3.049 1.00 0.00 C ATOM 1191 C ILE A 78 -14.318 -2.517 4.092 1.00 0.00 C ATOM 1192 O ILE A 78 -14.004 -3.175 5.083 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.273 -1.078 3.535 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.000 0.194 3.977 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.212 -0.792 2.471 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.077 1.093 4.803 1.00 0.00 C ATOM 0 H ILE A 78 -13.736 -0.722 1.574 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.674 -3.028 2.851 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.754 -1.472 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.355 0.737 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.878 -0.071 4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.519 -0.037 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.665 -1.708 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.695 -0.427 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.618 1.990 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.743 0.555 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.212 1.375 4.203 1.00 0.00 H new ATOM 1208 N SER A 79 -15.545 -2.089 3.834 1.00 0.00 N ATOM 1209 CA SER A 79 -16.645 -2.378 4.739 1.00 0.00 C ATOM 1210 C SER A 79 -16.956 -3.876 4.722 1.00 0.00 C ATOM 1211 O SER A 79 -17.407 -4.430 5.723 1.00 0.00 O ATOM 1212 CB SER A 79 -17.891 -1.573 4.365 1.00 0.00 C ATOM 1213 OG SER A 79 -18.579 -2.139 3.253 1.00 0.00 O ATOM 0 H SER A 79 -15.802 -1.544 3.011 1.00 0.00 H new ATOM 0 HA SER A 79 -16.346 -2.087 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.563 -1.527 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.603 -0.548 4.130 1.00 0.00 H new ATOM 0 HG SER A 79 -19.369 -1.597 3.047 1.00 0.00 H new ATOM 1219 N SER A 80 -16.701 -4.488 3.575 1.00 0.00 N ATOM 1220 CA SER A 80 -16.948 -5.911 3.416 1.00 0.00 C ATOM 1221 C SER A 80 -16.093 -6.705 4.405 1.00 0.00 C ATOM 1222 O SER A 80 -16.498 -7.771 4.865 1.00 0.00 O ATOM 1223 CB SER A 80 -16.659 -6.363 1.983 1.00 0.00 C ATOM 1224 OG SER A 80 -17.429 -7.505 1.618 1.00 0.00 O ATOM 0 H SER A 80 -16.326 -4.025 2.747 1.00 0.00 H new ATOM 0 HA SER A 80 -18.001 -6.100 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.874 -5.546 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.598 -6.594 1.882 1.00 0.00 H new ATOM 0 HG SER A 80 -17.217 -7.761 0.696 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.926 -6.154 4.704 1.00 0.00 N ATOM 1231 CA LEU A 81 -14.010 -6.797 5.631 1.00 0.00 C ATOM 1232 C LEU A 81 -14.120 -6.123 7.000 1.00 0.00 C ATOM 1233 O LEU A 81 -13.543 -6.598 7.977 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.590 -6.806 5.062 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.477 -6.708 3.539 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -11.019 -6.537 3.107 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -13.138 -7.910 2.862 1.00 0.00 C ATOM 0 H LEU A 81 -14.593 -5.269 4.321 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.280 -7.844 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.038 -5.975 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.096 -7.723 5.385 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.016 -5.818 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.967 -6.470 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.614 -5.626 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.436 -7.393 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.044 -7.816 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.649 -8.827 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.193 -7.945 3.132 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.864 -5.028 7.027 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.057 -4.284 8.260 1.00 0.00 C ATOM 1251 C ASN A 82 -13.712 -3.726 8.730 1.00 0.00 C ATOM 1252 O ASN A 82 -13.152 -4.196 9.719 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.607 -5.186 9.367 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.217 -4.355 10.498 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -15.827 -3.228 10.756 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.194 -4.973 11.156 1.00 0.00 N ATOM 0 H ASN A 82 -15.341 -4.637 6.214 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.768 -3.482 8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.362 -5.855 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.807 -5.813 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.666 -4.503 11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.471 -5.917 10.888 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.231 -2.731 7.997 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.963 -2.105 8.327 1.00 0.00 C ATOM 1265 C LEU A 83 -12.213 -0.669 8.793 1.00 0.00 C ATOM 1266 O LEU A 83 -12.848 0.114 8.088 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.992 -2.208 7.148 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.802 -3.606 6.557 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.990 -3.547 5.261 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.178 -4.555 7.582 1.00 0.00 C ATOM 0 H LEU A 83 -13.697 -2.344 7.176 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.483 -2.630 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.341 -1.545 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.019 -1.836 7.470 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.784 -4.007 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.869 -4.554 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.513 -2.927 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.009 -3.118 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.054 -5.542 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.205 -4.171 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.830 -4.630 8.453 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.702 -0.367 9.977 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.863 0.960 10.545 1.00 0.00 C ATOM 1284 C ALA A 84 -10.539 1.407 11.168 1.00 0.00 C ATOM 1285 O ALA A 84 -9.598 0.621 11.266 1.00 0.00 O ATOM 1286 CB ALA A 84 -13.009 0.946 11.559 1.00 0.00 C ATOM 0 H ALA A 84 -11.176 -1.019 10.559 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.123 1.681 9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.130 1.942 11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.932 0.650 11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.782 0.236 12.354 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.508 2.669 11.572 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.315 3.230 12.182 1.00 0.00 C ATOM 1294 C HIS A 85 -8.865 2.341 13.343 1.00 0.00 C ATOM 1295 O HIS A 85 -9.354 2.483 14.463 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.551 4.682 12.604 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.302 5.404 13.048 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.139 6.772 12.916 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.159 4.934 13.626 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.948 7.100 13.394 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.342 5.959 13.833 1.00 0.00 N ATOM 0 H HIS A 85 -11.290 3.318 11.489 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.506 3.252 11.452 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.994 5.225 11.769 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.277 4.700 13.417 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.821 7.418 12.518 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.954 3.903 13.873 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.530 8.095 13.430 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.940 1.444 13.036 1.00 0.00 N ATOM 1310 CA GLY A 86 -7.419 0.533 14.041 1.00 0.00 C ATOM 1311 C GLY A 86 -7.331 -0.893 13.493 1.00 0.00 C ATOM 1312 O GLY A 86 -6.680 -1.751 14.088 1.00 0.00 O ATOM 0 H GLY A 86 -7.538 1.328 12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.432 0.865 14.362 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.062 0.550 14.921 1.00 0.00 H new ATOM 1316 N SER A 87 -7.995 -1.103 12.366 1.00 0.00 N ATOM 1317 CA SER A 87 -7.999 -2.410 11.732 1.00 0.00 C ATOM 1318 C SER A 87 -6.579 -2.793 11.313 1.00 0.00 C ATOM 1319 O SER A 87 -5.653 -1.993 11.439 1.00 0.00 O ATOM 1320 CB SER A 87 -8.934 -2.431 10.520 1.00 0.00 C ATOM 1321 OG SER A 87 -8.656 -3.526 9.651 1.00 0.00 O ATOM 0 H SER A 87 -8.534 -0.389 11.875 1.00 0.00 H new ATOM 0 HA SER A 87 -8.367 -3.139 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.968 -2.492 10.860 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.834 -1.496 9.969 1.00 0.00 H new ATOM 0 HG SER A 87 -9.048 -4.345 10.021 1.00 0.00 H new ATOM 1327 N MET A 88 -6.450 -4.018 10.823 1.00 0.00 N ATOM 1328 CA MET A 88 -5.158 -4.517 10.385 1.00 0.00 C ATOM 1329 C MET A 88 -5.229 -5.035 8.947 1.00 0.00 C ATOM 1330 O MET A 88 -6.250 -5.580 8.530 1.00 0.00 O ATOM 1331 CB MET A 88 -4.705 -5.646 11.313 1.00 0.00 C ATOM 1332 CG MET A 88 -3.302 -6.130 10.944 1.00 0.00 C ATOM 1333 SD MET A 88 -2.131 -5.617 12.190 1.00 0.00 S ATOM 1334 CE MET A 88 -0.873 -4.890 11.152 1.00 0.00 C ATOM 0 H MET A 88 -7.220 -4.679 10.720 1.00 0.00 H new ATOM 0 HA MET A 88 -4.442 -3.696 10.421 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.713 -5.298 12.346 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.408 -6.477 11.251 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.296 -7.216 10.853 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.013 -5.727 9.974 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.105 -5.033 11.611 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.887 -5.369 10.173 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.068 -3.824 11.037 1.00 0.00 H new ATOM 1344 N VAL A 89 -4.132 -4.847 8.229 1.00 0.00 N ATOM 1345 CA VAL A 89 -4.057 -5.289 6.847 1.00 0.00 C ATOM 1346 C VAL A 89 -2.601 -5.601 6.494 1.00 0.00 C ATOM 1347 O VAL A 89 -1.681 -5.099 7.138 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.683 -4.239 5.927 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -3.937 -2.907 6.028 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -4.728 -4.735 4.481 1.00 0.00 C ATOM 0 H VAL A 89 -3.287 -4.394 8.578 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.629 -6.206 6.708 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.709 -4.073 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.402 -2.178 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.980 -2.543 7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.896 -3.050 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.177 -3.970 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.715 -4.943 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.324 -5.646 4.427 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.438 -6.429 5.472 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.110 -6.813 5.026 1.00 0.00 C ATOM 1362 C TYR A 90 -0.921 -6.508 3.539 1.00 0.00 C ATOM 1363 O TYR A 90 -1.791 -6.810 2.724 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.015 -8.325 5.240 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.024 -8.748 6.710 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.156 -8.790 7.424 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.214 -9.086 7.323 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.147 -9.188 8.808 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.223 -9.484 8.707 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.042 -9.515 9.381 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.051 -9.890 10.688 1.00 0.00 O ATOM 0 H TYR A 90 -3.203 -6.844 4.941 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.346 -6.263 5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.849 -8.807 4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.101 -8.691 4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.087 -8.524 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.138 -9.052 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.064 -9.226 9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.147 -9.752 9.199 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.969 -10.094 10.964 1.00 0.00 H new ATOM 1381 N LEU A 91 0.221 -5.912 3.230 1.00 0.00 N ATOM 1382 CA LEU A 91 0.535 -5.562 1.855 1.00 0.00 C ATOM 1383 C LEU A 91 1.602 -6.520 1.320 1.00 0.00 C ATOM 1384 O LEU A 91 2.326 -7.143 2.095 1.00 0.00 O ATOM 1385 CB LEU A 91 0.928 -4.087 1.754 1.00 0.00 C ATOM 1386 CG LEU A 91 1.511 -3.638 0.412 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.422 -3.561 -0.660 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.268 -2.316 0.558 1.00 0.00 C ATOM 0 H LEU A 91 0.941 -5.662 3.908 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.345 -5.678 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.047 -3.481 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.658 -3.872 2.535 1.00 0.00 H new ATOM 0 HG LEU A 91 2.232 -4.387 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.863 -3.240 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.033 -4.543 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.341 -2.845 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.672 -2.019 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.587 -1.545 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.084 -2.441 1.269 1.00 0.00 H new ATOM 1400 N ALA A 92 1.664 -6.608 0.000 1.00 0.00 N ATOM 1401 CA ALA A 92 2.629 -7.480 -0.648 1.00 0.00 C ATOM 1402 C ALA A 92 2.924 -6.952 -2.053 1.00 0.00 C ATOM 1403 O ALA A 92 2.022 -6.846 -2.882 1.00 0.00 O ATOM 1404 CB ALA A 92 2.093 -8.913 -0.664 1.00 0.00 C ATOM 0 H ALA A 92 1.061 -6.090 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 92 3.569 -7.490 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.817 -9.567 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.928 -9.251 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.151 -8.943 -1.212 1.00 0.00 H new ATOM 1410 N TYR A 93 4.191 -6.635 -2.278 1.00 0.00 N ATOM 1411 CA TYR A 93 4.616 -6.121 -3.568 1.00 0.00 C ATOM 1412 C TYR A 93 5.999 -6.656 -3.943 1.00 0.00 C ATOM 1413 O TYR A 93 6.817 -6.939 -3.069 1.00 0.00 O ATOM 1414 CB TYR A 93 4.697 -4.601 -3.411 1.00 0.00 C ATOM 1415 CG TYR A 93 5.684 -4.138 -2.339 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.417 -4.375 -1.006 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.843 -3.482 -2.704 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.347 -3.939 0.004 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.773 -3.046 -1.695 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.479 -3.296 -0.391 1.00 0.00 C ATOM 1421 OH TYR A 93 8.357 -2.884 0.562 1.00 0.00 O ATOM 0 H TYR A 93 4.937 -6.724 -1.588 1.00 0.00 H new ATOM 0 HA TYR A 93 3.920 -6.425 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.983 -4.162 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.706 -4.218 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.510 -4.888 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.052 -3.296 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.150 -4.118 1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.683 -2.532 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 93 9.120 -2.441 0.135 1.00 0.00 H new ATOM 1431 N GLU A 94 6.218 -6.780 -5.244 1.00 0.00 N ATOM 1432 CA GLU A 94 7.488 -7.277 -5.745 1.00 0.00 C ATOM 1433 C GLU A 94 8.411 -6.110 -6.102 1.00 0.00 C ATOM 1434 O GLU A 94 7.979 -5.139 -6.723 1.00 0.00 O ATOM 1435 CB GLU A 94 7.280 -8.199 -6.948 1.00 0.00 C ATOM 1436 CG GLU A 94 8.575 -8.358 -7.748 1.00 0.00 C ATOM 1437 CD GLU A 94 8.804 -9.820 -8.135 1.00 0.00 C ATOM 1438 OE1 GLU A 94 7.988 -10.331 -8.931 1.00 0.00 O ATOM 1439 OE2 GLU A 94 9.791 -10.394 -7.625 1.00 0.00 O ATOM 0 H GLU A 94 5.537 -6.545 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 94 7.963 -7.863 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.937 -9.176 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.499 -7.793 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.529 -7.743 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.418 -7.998 -7.158 1.00 0.00 H new ATOM 1446 N GLY A 95 9.665 -6.242 -5.695 1.00 0.00 N ATOM 1447 CA GLY A 95 10.653 -5.211 -5.964 1.00 0.00 C ATOM 1448 C GLY A 95 10.490 -4.032 -5.002 1.00 0.00 C ATOM 1449 O GLY A 95 9.575 -4.018 -4.181 1.00 0.00 O ATOM 0 H GLY A 95 10.020 -7.048 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.655 -5.628 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.551 -4.863 -6.992 1.00 0.00 H new ATOM 1453 N GLU A 96 11.393 -3.072 -5.136 1.00 0.00 N ATOM 1454 CA GLU A 96 11.361 -1.891 -4.290 1.00 0.00 C ATOM 1455 C GLU A 96 10.206 -0.975 -4.699 1.00 0.00 C ATOM 1456 O GLU A 96 9.381 -1.346 -5.533 1.00 0.00 O ATOM 1457 CB GLU A 96 12.696 -1.145 -4.339 1.00 0.00 C ATOM 1458 CG GLU A 96 13.620 -1.600 -3.207 1.00 0.00 C ATOM 1459 CD GLU A 96 14.278 -0.400 -2.521 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.705 0.512 -3.261 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.338 -0.423 -1.273 1.00 0.00 O ATOM 0 H GLU A 96 12.151 -3.088 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 96 11.198 -2.210 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.179 -1.320 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.520 -0.072 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.050 -2.174 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.389 -2.263 -3.604 1.00 0.00 H new ATOM 1468 N ARG A 97 10.184 0.203 -4.092 1.00 0.00 N ATOM 1469 CA ARG A 97 9.143 1.174 -4.383 1.00 0.00 C ATOM 1470 C ARG A 97 9.532 2.021 -5.597 1.00 0.00 C ATOM 1471 O ARG A 97 10.629 1.876 -6.134 1.00 0.00 O ATOM 1472 CB ARG A 97 8.899 2.094 -3.185 1.00 0.00 C ATOM 1473 CG ARG A 97 8.714 1.285 -1.901 1.00 0.00 C ATOM 1474 CD ARG A 97 8.285 2.186 -0.741 1.00 0.00 C ATOM 1475 NE ARG A 97 9.270 2.098 0.360 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.263 2.891 1.440 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.322 3.836 1.570 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.196 2.739 2.389 1.00 0.00 N ATOM 0 H ARG A 97 10.870 0.506 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 97 8.227 0.624 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.740 2.778 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.014 2.704 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.964 0.510 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.646 0.780 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.201 3.218 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.300 1.887 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 97 10.000 1.389 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.612 3.951 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.316 4.440 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.912 2.019 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.190 3.343 3.211 1.00 0.00 H new ATOM 1492 N THR A 98 8.610 2.886 -5.995 1.00 0.00 N ATOM 1493 CA THR A 98 8.843 3.755 -7.135 1.00 0.00 C ATOM 1494 C THR A 98 9.398 5.104 -6.673 1.00 0.00 C ATOM 1495 O THR A 98 9.782 5.257 -5.515 1.00 0.00 O ATOM 1496 CB THR A 98 7.532 3.873 -7.915 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.537 4.012 -6.903 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.157 2.573 -8.630 1.00 0.00 C ATOM 0 H THR A 98 7.701 3.003 -5.548 1.00 0.00 H new ATOM 0 HA THR A 98 9.599 3.339 -7.801 1.00 0.00 H new ATOM 0 HB THR A 98 7.615 4.678 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.655 4.096 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.219 2.711 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.944 2.306 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.040 1.775 -7.897 1.00 0.00 H new ATOM 1506 N ILE A 99 9.422 6.048 -7.603 1.00 0.00 N ATOM 1507 CA ILE A 99 9.924 7.378 -7.305 1.00 0.00 C ATOM 1508 C ILE A 99 8.817 8.200 -6.643 1.00 0.00 C ATOM 1509 O ILE A 99 7.642 8.047 -6.975 1.00 0.00 O ATOM 1510 CB ILE A 99 10.502 8.027 -8.565 1.00 0.00 C ATOM 1511 CG1 ILE A 99 11.743 7.275 -9.049 1.00 0.00 C ATOM 1512 CG2 ILE A 99 10.786 9.513 -8.336 1.00 0.00 C ATOM 1513 CD1 ILE A 99 11.638 6.945 -10.539 1.00 0.00 C ATOM 0 H ILE A 99 9.102 5.918 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 99 10.749 7.323 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 99 9.755 7.960 -9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.632 7.879 -8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.861 6.355 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.196 9.950 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.860 10.024 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.505 9.625 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.533 6.411 -10.857 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.762 6.321 -10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.544 7.868 -11.110 1.00 0.00 H new ATOM 1525 N ARG A 100 9.230 9.055 -5.718 1.00 0.00 N ATOM 1526 CA ARG A 100 8.287 9.901 -5.007 1.00 0.00 C ATOM 1527 C ARG A 100 7.808 11.038 -5.911 1.00 0.00 C ATOM 1528 O ARG A 100 8.482 11.396 -6.875 1.00 0.00 O ATOM 1529 CB ARG A 100 8.921 10.493 -3.747 1.00 0.00 C ATOM 1530 CG ARG A 100 8.672 9.595 -2.533 1.00 0.00 C ATOM 1531 CD ARG A 100 7.987 10.371 -1.408 1.00 0.00 C ATOM 1532 NE ARG A 100 6.587 9.914 -1.257 1.00 0.00 N ATOM 1533 CZ ARG A 100 5.699 10.476 -0.425 1.00 0.00 C ATOM 1534 NH1 ARG A 100 6.059 11.518 0.335 1.00 0.00 N ATOM 1535 NH2 ARG A 100 4.450 9.994 -0.354 1.00 0.00 N ATOM 0 H ARG A 100 10.205 9.180 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 100 7.439 9.281 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.993 10.616 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.510 11.485 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.052 8.747 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.619 9.190 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.528 10.226 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.008 11.439 -1.626 1.00 0.00 H new ATOM 0 HE ARG A 100 6.279 9.122 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.009 11.884 0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.383 11.945 0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.176 9.200 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.774 10.421 0.279 1.00 0.00 H new ATOM 1549 N GLY A 101 6.646 11.575 -5.567 1.00 0.00 N ATOM 1550 CA GLY A 101 6.068 12.664 -6.336 1.00 0.00 C ATOM 1551 C GLY A 101 5.246 13.592 -5.439 1.00 0.00 C ATOM 1552 O GLY A 101 4.298 13.153 -4.789 1.00 0.00 O ATOM 0 H GLY A 101 6.090 11.276 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.861 13.231 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.434 12.260 -7.126 1.00 0.00 H new ATOM 1556 N SER A 102 5.638 14.857 -5.433 1.00 0.00 N ATOM 1557 CA SER A 102 4.949 15.850 -4.627 1.00 0.00 C ATOM 1558 C SER A 102 3.543 16.090 -5.181 1.00 0.00 C ATOM 1559 O SER A 102 2.553 15.897 -4.476 1.00 0.00 O ATOM 1560 CB SER A 102 5.733 17.164 -4.582 1.00 0.00 C ATOM 1561 OG SER A 102 7.038 16.988 -4.038 1.00 0.00 O ATOM 0 H SER A 102 6.424 15.217 -5.974 1.00 0.00 H new ATOM 0 HA SER A 102 4.871 15.469 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.812 17.574 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.186 17.892 -3.984 1.00 0.00 H new ATOM 0 HG SER A 102 7.507 17.848 -4.028 1.00 0.00 H new ATOM 1567 N GLY A 103 3.500 16.508 -6.437 1.00 0.00 N ATOM 1568 CA GLY A 103 2.232 16.776 -7.094 1.00 0.00 C ATOM 1569 C GLY A 103 1.465 17.887 -6.373 1.00 0.00 C ATOM 1570 O GLY A 103 0.642 17.612 -5.501 1.00 0.00 O ATOM 0 H GLY A 103 4.323 16.668 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.409 17.065 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.630 15.868 -7.115 1.00 0.00 H new ATOM 1574 N PRO A 104 1.771 19.150 -6.773 1.00 0.00 N ATOM 1575 CA PRO A 104 1.121 20.303 -6.175 1.00 0.00 C ATOM 1576 C PRO A 104 -0.313 20.451 -6.688 1.00 0.00 C ATOM 1577 O PRO A 104 -0.608 20.098 -7.829 1.00 0.00 O ATOM 1578 CB PRO A 104 2.005 21.485 -6.535 1.00 0.00 C ATOM 1579 CG PRO A 104 2.860 21.025 -7.705 1.00 0.00 C ATOM 1580 CD PRO A 104 2.742 19.512 -7.802 1.00 0.00 C ATOM 0 HA PRO A 104 1.020 20.214 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.405 22.353 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.626 21.780 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 104 2.525 21.494 -8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.899 21.318 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.404 19.204 -8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.703 19.028 -7.628 1.00 0.00 H new ATOM 1588 N SER A 105 -1.168 20.972 -5.819 1.00 0.00 N ATOM 1589 CA SER A 105 -2.564 21.171 -6.170 1.00 0.00 C ATOM 1590 C SER A 105 -3.235 22.089 -5.147 1.00 0.00 C ATOM 1591 O SER A 105 -2.917 22.038 -3.960 1.00 0.00 O ATOM 1592 CB SER A 105 -3.306 19.835 -6.253 1.00 0.00 C ATOM 1593 OG SER A 105 -4.607 19.982 -6.816 1.00 0.00 O ATOM 0 H SER A 105 -0.921 21.262 -4.873 1.00 0.00 H new ATOM 0 HA SER A 105 -2.607 21.641 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.727 19.135 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.389 19.404 -5.255 1.00 0.00 H new ATOM 0 HG SER A 105 -5.048 19.108 -6.854 1.00 0.00 H new ATOM 1599 N SER A 106 -4.150 22.907 -5.644 1.00 0.00 N ATOM 1600 CA SER A 106 -4.869 23.835 -4.788 1.00 0.00 C ATOM 1601 C SER A 106 -5.955 23.093 -4.007 1.00 0.00 C ATOM 1602 O SER A 106 -6.884 22.544 -4.597 1.00 0.00 O ATOM 1603 CB SER A 106 -5.486 24.973 -5.604 1.00 0.00 C ATOM 1604 OG SER A 106 -6.571 24.523 -6.411 1.00 0.00 O ATOM 0 H SER A 106 -4.410 22.947 -6.629 1.00 0.00 H new ATOM 0 HA SER A 106 -4.159 24.271 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.835 25.755 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.721 25.419 -6.240 1.00 0.00 H new ATOM 0 HG SER A 106 -6.876 23.649 -6.091 1.00 0.00 H new ATOM 1610 N GLY A 107 -5.802 23.099 -2.691 1.00 0.00 N ATOM 1611 CA GLY A 107 -6.758 22.433 -1.823 1.00 0.00 C ATOM 1612 C GLY A 107 -6.213 21.089 -1.336 1.00 0.00 C ATOM 1613 O GLY A 107 -5.050 20.765 -1.572 1.00 0.00 O ATOM 0 H GLY A 107 -5.030 23.555 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.983 23.070 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.694 22.277 -2.359 1.00 0.00 H new TER 1617 GLY A 107