USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 1 MET N :NH3+ -176:sc= 1.19 (180deg=-0.13) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.0735! C(o=1.3!,f=-6.4!) USER MOD Set 2.1: A 54 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.4) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0 K(o=-0.3,f=-1.5) USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -2.1! C(o=-4.3!,f=-2.8!) USER MOD Set 3.2: A 59 SER OG : rot 88:sc= 0.363 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -1.03 USER MOD Set 4.1: A 39 THR OG1 : rot 71:sc= 0.462 USER MOD Set 4.2: A 40 CYS SG : rot -180:sc= 2.17 USER MOD Set 5.1: A 14 ASN : amide:sc= 1.16 K(o=3.1,f=0.35) USER MOD Set 5.2: A 18 THR OG1 : rot -85:sc= 1.93 USER MOD Set 6.1: A 7 SER OG : rot 127:sc= 0.936 USER MOD Set 6.2: A 23 CYS SG : rot -100:sc= -0.931! USER MOD Single : A 1 MET CE :methyl -161:sc= -0.11 (180deg=-0.662) USER MOD Single : A 2 SER OG : rot -160:sc= 0.0372 USER MOD Single : A 3 TYR OH : rot 32:sc= -0.25 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.9!) USER MOD Single : A 13 THR OG1 : rot -90:sc= -1 USER MOD Single : A 25 ASN : amide:sc= -1.89! C(o=-1.9!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0.217 K(o=0.22,f=-6.4!) USER MOD Single : A 32 THR OG1 : rot -43:sc= 1.14 USER MOD Single : A 33 SER OG : rot 144:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 52 MET CE :methyl -138:sc= -3.27! (180deg=-6.16!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0644 (180deg=-0.51) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -154:sc= 1.26 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 49:sc= 0.299 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.47 F(o=-4.6!,f=-0.47) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 95 ASN : amide:sc= -1.94 K(o=-1.9,f=-7!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0435 F(o=-1.2!,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.431 14.218 -0.861 1.00 0.00 N ATOM 2 CA MET A 1 0.973 13.941 -1.248 1.00 0.00 C ATOM 3 C MET A 1 1.560 12.855 -0.361 1.00 0.00 C ATOM 4 O MET A 1 1.728 13.046 0.842 1.00 0.00 O ATOM 5 CB MET A 1 1.822 15.211 -1.151 1.00 0.00 C ATOM 6 CG MET A 1 1.409 16.299 -2.130 1.00 0.00 C ATOM 7 SD MET A 1 2.415 17.791 -1.983 1.00 0.00 S ATOM 8 CE MET A 1 2.032 18.298 -0.307 1.00 0.00 C ATOM 0 H1 MET A 1 -0.841 14.912 -1.517 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.982 13.337 -0.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.456 14.599 0.106 1.00 0.00 H new ATOM 0 HA MET A 1 0.980 13.597 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.757 15.604 -0.136 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.866 14.954 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.485 15.914 -3.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.363 16.554 -1.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.290 19.349 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.967 18.160 -0.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.605 17.694 0.396 1.00 0.00 H new ATOM 16 N SER A 2 1.856 11.709 -0.953 1.00 0.00 N ATOM 17 CA SER A 2 2.424 10.594 -0.215 1.00 0.00 C ATOM 18 C SER A 2 3.937 10.530 -0.367 1.00 0.00 C ATOM 19 O SER A 2 4.533 11.374 -1.040 1.00 0.00 O ATOM 20 CB SER A 2 1.792 9.280 -0.662 1.00 0.00 C ATOM 21 OG SER A 2 1.310 9.378 -1.995 1.00 0.00 O ATOM 0 H SER A 2 1.711 11.527 -1.946 1.00 0.00 H new ATOM 0 HA SER A 2 2.203 10.753 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.526 8.477 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.972 9.020 0.007 1.00 0.00 H new ATOM 0 HG SER A 2 0.647 8.674 -2.156 1.00 0.00 H new ATOM 26 N TYR A 3 4.546 9.541 0.276 1.00 0.00 N ATOM 27 CA TYR A 3 5.994 9.341 0.245 1.00 0.00 C ATOM 28 C TYR A 3 6.565 9.428 -1.172 1.00 0.00 C ATOM 29 O TYR A 3 7.653 9.966 -1.369 1.00 0.00 O ATOM 30 CB TYR A 3 6.341 7.976 0.856 1.00 0.00 C ATOM 31 CG TYR A 3 5.820 6.794 0.060 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.464 6.498 0.021 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.687 5.983 -0.662 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.986 5.432 -0.711 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.216 4.915 -1.401 1.00 0.00 C ATOM 36 CZ TYR A 3 4.865 4.643 -1.422 1.00 0.00 C ATOM 37 OH TYR A 3 4.387 3.582 -2.153 1.00 0.00 O ATOM 0 H TYR A 3 4.048 8.850 0.837 1.00 0.00 H new ATOM 0 HA TYR A 3 6.445 10.143 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.424 7.893 0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.935 7.928 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.771 7.114 0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.747 6.191 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.928 5.216 -0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.903 4.296 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 3 3.490 3.793 -2.488 1.00 0.00 H new ATOM 46 N ALA A 4 5.802 8.935 -2.149 1.00 0.00 N ATOM 47 CA ALA A 4 6.221 8.919 -3.553 1.00 0.00 C ATOM 48 C ALA A 4 6.635 10.303 -4.063 1.00 0.00 C ATOM 49 O ALA A 4 7.347 10.408 -5.060 1.00 0.00 O ATOM 50 CB ALA A 4 5.112 8.344 -4.421 1.00 0.00 C ATOM 0 H ALA A 4 4.877 8.536 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 4 7.104 8.283 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.432 8.336 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.891 7.326 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.217 8.958 -4.321 1.00 0.00 H new ATOM 56 N ASP A 5 6.192 11.358 -3.386 1.00 0.00 N ATOM 57 CA ASP A 5 6.550 12.720 -3.777 1.00 0.00 C ATOM 58 C ASP A 5 8.058 12.924 -3.628 1.00 0.00 C ATOM 59 O ASP A 5 8.687 13.634 -4.414 1.00 0.00 O ATOM 60 CB ASP A 5 5.783 13.736 -2.924 1.00 0.00 C ATOM 61 CG ASP A 5 6.204 15.166 -3.197 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.004 15.647 -4.331 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.726 15.819 -2.271 1.00 0.00 O ATOM 0 H ASP A 5 5.587 11.298 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 5 6.277 12.873 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.715 13.633 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.940 13.511 -1.869 1.00 0.00 H new ATOM 67 N SER A 6 8.634 12.267 -2.631 1.00 0.00 N ATOM 68 CA SER A 6 10.062 12.343 -2.371 1.00 0.00 C ATOM 69 C SER A 6 10.621 10.939 -2.169 1.00 0.00 C ATOM 70 O SER A 6 11.430 10.696 -1.272 1.00 0.00 O ATOM 71 CB SER A 6 10.331 13.200 -1.135 1.00 0.00 C ATOM 72 OG SER A 6 9.752 14.487 -1.274 1.00 0.00 O ATOM 0 H SER A 6 8.124 11.668 -1.982 1.00 0.00 H new ATOM 0 HA SER A 6 10.555 12.805 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.925 12.708 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.406 13.295 -0.981 1.00 0.00 H new ATOM 0 HG SER A 6 9.936 15.017 -0.470 1.00 0.00 H new ATOM 77 N SER A 7 10.163 10.015 -3.002 1.00 0.00 N ATOM 78 CA SER A 7 10.591 8.631 -2.933 1.00 0.00 C ATOM 79 C SER A 7 10.425 7.984 -4.301 1.00 0.00 C ATOM 80 O SER A 7 9.537 8.362 -5.066 1.00 0.00 O ATOM 81 CB SER A 7 9.774 7.877 -1.877 1.00 0.00 C ATOM 82 OG SER A 7 10.261 6.563 -1.670 1.00 0.00 O ATOM 0 H SER A 7 9.487 10.206 -3.741 1.00 0.00 H new ATOM 0 HA SER A 7 11.641 8.589 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.802 8.427 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.731 7.832 -2.189 1.00 0.00 H new ATOM 0 HG SER A 7 10.432 6.424 -0.715 1.00 0.00 H new ATOM 87 N ARG A 8 11.279 7.025 -4.606 1.00 0.00 N ATOM 88 CA ARG A 8 11.230 6.338 -5.888 1.00 0.00 C ATOM 89 C ARG A 8 11.410 4.836 -5.705 1.00 0.00 C ATOM 90 O ARG A 8 11.650 4.373 -4.589 1.00 0.00 O ATOM 91 CB ARG A 8 12.299 6.896 -6.833 1.00 0.00 C ATOM 92 CG ARG A 8 13.693 6.929 -6.231 1.00 0.00 C ATOM 93 CD ARG A 8 14.712 7.499 -7.205 1.00 0.00 C ATOM 94 NE ARG A 8 14.379 8.861 -7.624 1.00 0.00 N ATOM 95 CZ ARG A 8 15.166 9.621 -8.387 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.342 9.165 -8.803 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.786 10.848 -8.721 1.00 0.00 N ATOM 0 H ARG A 8 12.019 6.701 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 8 10.249 6.510 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.319 6.292 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.017 7.907 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.683 7.530 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.989 5.920 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.698 7.495 -6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.772 6.856 -8.083 1.00 0.00 H new ATOM 0 HE ARG A 8 13.490 9.253 -7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.648 8.228 -8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.939 9.751 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.891 11.211 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.389 11.428 -9.305 1.00 0.00 H new ATOM 108 N ASN A 9 11.291 4.100 -6.818 1.00 0.00 N ATOM 109 CA ASN A 9 11.414 2.631 -6.850 1.00 0.00 C ATOM 110 C ASN A 9 10.632 1.960 -5.724 1.00 0.00 C ATOM 111 O ASN A 9 11.192 1.246 -4.895 1.00 0.00 O ATOM 112 CB ASN A 9 12.884 2.142 -6.876 1.00 0.00 C ATOM 113 CG ASN A 9 13.796 2.782 -5.846 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.843 2.370 -4.689 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.570 3.766 -6.282 1.00 0.00 N ATOM 0 H ASN A 9 11.105 4.510 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 9 10.965 2.324 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.894 1.062 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.295 2.329 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.235 4.210 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.500 4.079 -7.250 1.00 0.00 H new ATOM 121 N ALA A 10 9.323 2.181 -5.723 1.00 0.00 N ATOM 122 CA ALA A 10 8.451 1.598 -4.717 1.00 0.00 C ATOM 123 C ALA A 10 7.992 0.210 -5.152 1.00 0.00 C ATOM 124 O ALA A 10 7.328 0.057 -6.179 1.00 0.00 O ATOM 125 CB ALA A 10 7.255 2.507 -4.462 1.00 0.00 C ATOM 0 H ALA A 10 8.843 2.762 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 10 9.009 1.497 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.611 2.057 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.604 3.478 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.693 2.637 -5.387 1.00 0.00 H new ATOM 131 N VAL A 11 8.359 -0.797 -4.375 1.00 0.00 N ATOM 132 CA VAL A 11 7.993 -2.174 -4.673 1.00 0.00 C ATOM 133 C VAL A 11 7.084 -2.740 -3.588 1.00 0.00 C ATOM 134 O VAL A 11 6.899 -2.126 -2.534 1.00 0.00 O ATOM 135 CB VAL A 11 9.240 -3.078 -4.816 1.00 0.00 C ATOM 136 CG1 VAL A 11 10.130 -2.597 -5.952 1.00 0.00 C ATOM 137 CG2 VAL A 11 10.024 -3.137 -3.513 1.00 0.00 C ATOM 0 H VAL A 11 8.914 -0.685 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 11 7.461 -2.163 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 11 8.896 -4.085 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.000 -3.248 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.571 -2.621 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.458 -1.577 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.895 -3.779 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.350 -2.134 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.389 -3.541 -2.724 1.00 0.00 H new ATOM 147 N LEU A 12 6.532 -3.919 -3.849 1.00 0.00 N ATOM 148 CA LEU A 12 5.636 -4.573 -2.905 1.00 0.00 C ATOM 149 C LEU A 12 6.340 -5.730 -2.213 1.00 0.00 C ATOM 150 O LEU A 12 6.813 -6.664 -2.866 1.00 0.00 O ATOM 151 CB LEU A 12 4.376 -5.099 -3.612 1.00 0.00 C ATOM 152 CG LEU A 12 3.324 -4.052 -3.995 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.960 -3.193 -2.793 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.805 -3.190 -5.152 1.00 0.00 C ATOM 0 H LEU A 12 6.690 -4.443 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 12 5.342 -3.830 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.685 -5.621 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.904 -5.837 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 12 2.428 -4.578 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.212 -2.456 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.556 -3.826 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.851 -2.681 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.039 -2.456 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.721 -2.674 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.000 -3.821 -6.019 1.00 0.00 H new ATOM 165 N THR A 13 6.419 -5.657 -0.895 1.00 0.00 N ATOM 166 CA THR A 13 7.056 -6.699 -0.114 1.00 0.00 C ATOM 167 C THR A 13 6.071 -7.316 0.872 1.00 0.00 C ATOM 168 O THR A 13 5.015 -6.737 1.154 1.00 0.00 O ATOM 169 CB THR A 13 8.286 -6.154 0.635 1.00 0.00 C ATOM 170 OG1 THR A 13 7.959 -4.920 1.293 1.00 0.00 O ATOM 171 CG2 THR A 13 9.437 -5.931 -0.332 1.00 0.00 C ATOM 0 H THR A 13 6.048 -4.883 -0.344 1.00 0.00 H new ATOM 0 HA THR A 13 7.389 -7.474 -0.804 1.00 0.00 H new ATOM 0 HB THR A 13 8.589 -6.887 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.138 -4.170 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.300 -5.546 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.700 -6.876 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.138 -5.212 -1.094 1.00 0.00 H new ATOM 179 N ASN A 14 6.407 -8.511 1.363 1.00 0.00 N ATOM 180 CA ASN A 14 5.570 -9.229 2.324 1.00 0.00 C ATOM 181 C ASN A 14 4.187 -9.511 1.746 1.00 0.00 C ATOM 182 O ASN A 14 3.174 -9.422 2.442 1.00 0.00 O ATOM 183 CB ASN A 14 5.454 -8.437 3.632 1.00 0.00 C ATOM 184 CG ASN A 14 6.766 -8.384 4.392 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.576 -9.309 4.328 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.992 -7.292 5.106 1.00 0.00 N ATOM 0 H ASN A 14 7.262 -9.005 1.107 1.00 0.00 H new ATOM 0 HA ASN A 14 6.047 -10.186 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.123 -7.422 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.690 -8.891 4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.863 -7.195 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.295 -6.547 5.133 1.00 0.00 H new ATOM 192 N GLY A 15 4.151 -9.836 0.460 1.00 0.00 N ATOM 193 CA GLY A 15 2.892 -10.128 -0.198 1.00 0.00 C ATOM 194 C GLY A 15 2.307 -8.906 -0.875 1.00 0.00 C ATOM 195 O GLY A 15 1.513 -9.021 -1.807 1.00 0.00 O ATOM 0 H GLY A 15 4.973 -9.903 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.044 -10.914 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.181 -10.512 0.534 1.00 0.00 H new ATOM 199 N GLY A 16 2.702 -7.734 -0.403 1.00 0.00 N ATOM 200 CA GLY A 16 2.203 -6.501 -0.977 1.00 0.00 C ATOM 201 C GLY A 16 1.578 -5.608 0.067 1.00 0.00 C ATOM 202 O GLY A 16 0.912 -4.628 -0.251 1.00 0.00 O ATOM 0 H GLY A 16 3.359 -7.614 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.020 -5.971 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.466 -6.731 -1.747 1.00 0.00 H new ATOM 206 N ARG A 17 1.796 -5.957 1.323 1.00 0.00 N ATOM 207 CA ARG A 17 1.256 -5.192 2.432 1.00 0.00 C ATOM 208 C ARG A 17 2.266 -4.152 2.889 1.00 0.00 C ATOM 209 O ARG A 17 1.913 -3.146 3.507 1.00 0.00 O ATOM 210 CB ARG A 17 0.915 -6.127 3.589 1.00 0.00 C ATOM 211 CG ARG A 17 2.137 -6.726 4.263 1.00 0.00 C ATOM 212 CD ARG A 17 1.760 -7.839 5.219 1.00 0.00 C ATOM 213 NE ARG A 17 2.870 -8.199 6.098 1.00 0.00 N ATOM 214 CZ ARG A 17 3.150 -9.442 6.480 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.421 -10.460 6.041 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.164 -9.660 7.301 1.00 0.00 N ATOM 0 H ARG A 17 2.346 -6.770 1.601 1.00 0.00 H new ATOM 0 HA ARG A 17 0.349 -4.684 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.333 -5.578 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.281 -6.933 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.818 -7.113 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.673 -5.947 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.906 -7.528 5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.447 -8.715 4.651 1.00 0.00 H new ATOM 0 HE ARG A 17 3.469 -7.448 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.640 -10.292 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.641 -11.411 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.725 -8.878 7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.384 -10.611 7.598 1.00 0.00 H new ATOM 227 N THR A 18 3.527 -4.413 2.588 1.00 0.00 N ATOM 228 CA THR A 18 4.599 -3.523 2.965 1.00 0.00 C ATOM 229 C THR A 18 5.117 -2.756 1.753 1.00 0.00 C ATOM 230 O THR A 18 5.336 -3.332 0.684 1.00 0.00 O ATOM 231 CB THR A 18 5.755 -4.312 3.597 1.00 0.00 C ATOM 232 OG1 THR A 18 5.232 -5.305 4.491 1.00 0.00 O ATOM 233 CG2 THR A 18 6.695 -3.391 4.355 1.00 0.00 C ATOM 0 H THR A 18 3.830 -5.243 2.079 1.00 0.00 H new ATOM 0 HA THR A 18 4.204 -2.814 3.693 1.00 0.00 H new ATOM 0 HB THR A 18 6.316 -4.794 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.070 -4.902 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.504 -3.976 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.111 -2.652 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.146 -2.883 5.148 1.00 0.00 H new ATOM 241 N LEU A 19 5.283 -1.457 1.924 1.00 0.00 N ATOM 242 CA LEU A 19 5.787 -0.601 0.863 1.00 0.00 C ATOM 243 C LEU A 19 7.275 -0.370 1.032 1.00 0.00 C ATOM 244 O LEU A 19 7.701 0.240 2.010 1.00 0.00 O ATOM 245 CB LEU A 19 5.074 0.751 0.868 1.00 0.00 C ATOM 246 CG LEU A 19 3.612 0.727 0.437 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.040 2.134 0.460 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.475 0.113 -0.948 1.00 0.00 C ATOM 0 H LEU A 19 5.075 -0.968 2.794 1.00 0.00 H new ATOM 0 HA LEU A 19 5.598 -1.104 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.131 1.168 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.617 1.430 0.211 1.00 0.00 H new ATOM 0 HG LEU A 19 3.049 0.111 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.995 2.107 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.109 2.538 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.605 2.768 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.425 0.104 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.046 0.703 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.856 -0.908 -0.933 1.00 0.00 H new ATOM 259 N ARG A 20 8.064 -0.866 0.097 1.00 0.00 N ATOM 260 CA ARG A 20 9.501 -0.675 0.157 1.00 0.00 C ATOM 261 C ARG A 20 9.933 0.280 -0.942 1.00 0.00 C ATOM 262 O ARG A 20 9.725 0.001 -2.121 1.00 0.00 O ATOM 263 CB ARG A 20 10.231 -2.008 -0.010 1.00 0.00 C ATOM 264 CG ARG A 20 11.744 -1.883 0.085 1.00 0.00 C ATOM 265 CD ARG A 20 12.444 -3.179 -0.283 1.00 0.00 C ATOM 266 NE ARG A 20 12.133 -4.270 0.641 1.00 0.00 N ATOM 267 CZ ARG A 20 12.753 -5.450 0.621 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.719 -5.681 -0.259 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.416 -6.405 1.478 1.00 0.00 N ATOM 0 H ARG A 20 7.737 -1.401 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 20 9.756 -0.258 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.882 -2.703 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.969 -2.439 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.085 -1.086 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.021 -1.596 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.154 -3.470 -1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.521 -3.015 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 20 11.403 -4.120 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.989 -4.955 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.192 -6.585 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.676 -6.240 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.897 -7.304 1.454 1.00 0.00 H new ATOM 280 N ALA A 21 10.535 1.394 -0.564 1.00 0.00 N ATOM 281 CA ALA A 21 10.978 2.372 -1.544 1.00 0.00 C ATOM 282 C ALA A 21 12.149 3.187 -1.025 1.00 0.00 C ATOM 283 O ALA A 21 12.456 3.168 0.171 1.00 0.00 O ATOM 284 CB ALA A 21 9.826 3.295 -1.910 1.00 0.00 C ATOM 0 H ALA A 21 10.728 1.643 0.406 1.00 0.00 H new ATOM 0 HA ALA A 21 11.311 1.833 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.164 4.026 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.009 2.708 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.477 3.813 -1.017 1.00 0.00 H new ATOM 290 N GLU A 22 12.803 3.897 -1.933 1.00 0.00 N ATOM 291 CA GLU A 22 13.910 4.755 -1.581 1.00 0.00 C ATOM 292 C GLU A 22 13.356 6.133 -1.274 1.00 0.00 C ATOM 293 O GLU A 22 12.913 6.841 -2.179 1.00 0.00 O ATOM 294 CB GLU A 22 14.894 4.846 -2.743 1.00 0.00 C ATOM 295 CG GLU A 22 16.315 4.493 -2.372 1.00 0.00 C ATOM 296 CD GLU A 22 16.468 3.095 -1.816 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.110 2.124 -2.513 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.967 2.962 -0.686 1.00 0.00 O ATOM 0 H GLU A 22 12.578 3.891 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 22 14.435 4.352 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.562 4.181 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.875 5.859 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.948 4.595 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.678 5.209 -1.635 1.00 0.00 H new ATOM 303 N CYS A 23 13.349 6.502 -0.006 1.00 0.00 N ATOM 304 CA CYS A 23 12.815 7.789 0.400 1.00 0.00 C ATOM 305 C CYS A 23 13.932 8.797 0.589 1.00 0.00 C ATOM 306 O CYS A 23 15.009 8.456 1.070 1.00 0.00 O ATOM 307 CB CYS A 23 12.013 7.638 1.689 1.00 0.00 C ATOM 308 SG CYS A 23 10.638 6.475 1.553 1.00 0.00 S ATOM 0 H CYS A 23 13.706 5.930 0.759 1.00 0.00 H new ATOM 0 HA CYS A 23 12.155 8.155 -0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.680 7.308 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.625 8.614 1.982 1.00 0.00 H new ATOM 0 HG CYS A 23 9.530 7.132 1.379 1.00 0.00 H new ATOM 313 N ARG A 24 13.688 10.027 0.172 1.00 0.00 N ATOM 314 CA ARG A 24 14.670 11.076 0.310 1.00 0.00 C ATOM 315 C ARG A 24 14.593 11.687 1.698 1.00 0.00 C ATOM 316 O ARG A 24 13.577 12.274 2.077 1.00 0.00 O ATOM 317 CB ARG A 24 14.447 12.146 -0.753 1.00 0.00 C ATOM 318 CG ARG A 24 15.732 12.793 -1.219 1.00 0.00 C ATOM 319 CD ARG A 24 15.509 13.611 -2.474 1.00 0.00 C ATOM 320 NE ARG A 24 15.222 15.014 -2.178 1.00 0.00 N ATOM 321 CZ ARG A 24 15.288 15.992 -3.079 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.549 15.719 -4.350 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.072 17.245 -2.708 1.00 0.00 N ATOM 0 H ARG A 24 12.814 10.320 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 24 15.663 10.649 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.940 11.700 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.784 12.914 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.127 13.433 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.481 12.024 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.394 13.549 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.681 13.185 -3.041 1.00 0.00 H new ATOM 0 HE ARG A 24 14.955 15.258 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.701 14.754 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.598 16.474 -5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.856 17.459 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.122 17.996 -3.396 1.00 0.00 H new ATOM 334 N ASN A 25 15.666 11.527 2.457 1.00 0.00 N ATOM 335 CA ASN A 25 15.734 12.060 3.807 1.00 0.00 C ATOM 336 C ASN A 25 15.979 13.565 3.769 1.00 0.00 C ATOM 337 O ASN A 25 16.239 14.116 2.694 1.00 0.00 O ATOM 338 CB ASN A 25 16.818 11.347 4.636 1.00 0.00 C ATOM 339 CG ASN A 25 18.225 11.510 4.084 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.550 12.501 3.441 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.077 10.533 4.342 1.00 0.00 N ATOM 0 H ASN A 25 16.505 11.030 2.158 1.00 0.00 H new ATOM 0 HA ASN A 25 14.776 11.876 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.792 11.731 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.580 10.285 4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.037 10.591 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.774 9.721 4.880 1.00 0.00 H new ATOM 347 N ALA A 26 15.946 14.210 4.935 1.00 0.00 N ATOM 348 CA ALA A 26 16.133 15.660 5.035 1.00 0.00 C ATOM 349 C ALA A 26 17.467 16.119 4.449 1.00 0.00 C ATOM 350 O ALA A 26 17.604 17.263 4.018 1.00 0.00 O ATOM 351 CB ALA A 26 16.023 16.105 6.484 1.00 0.00 C ATOM 0 H ALA A 26 15.790 13.748 5.831 1.00 0.00 H new ATOM 0 HA ALA A 26 15.343 16.125 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.164 17.184 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.038 15.845 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.789 15.605 7.077 1.00 0.00 H new ATOM 357 N ASP A 27 18.446 15.229 4.422 1.00 0.00 N ATOM 358 CA ASP A 27 19.760 15.559 3.883 1.00 0.00 C ATOM 359 C ASP A 27 19.722 15.514 2.356 1.00 0.00 C ATOM 360 O ASP A 27 20.643 15.964 1.673 1.00 0.00 O ATOM 361 CB ASP A 27 20.810 14.580 4.423 1.00 0.00 C ATOM 362 CG ASP A 27 22.227 14.980 4.065 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.762 15.910 4.701 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.817 14.356 3.159 1.00 0.00 O ATOM 0 H ASP A 27 18.358 14.273 4.766 1.00 0.00 H new ATOM 0 HA ASP A 27 20.032 16.567 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.718 14.518 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.608 13.584 4.028 1.00 0.00 H new ATOM 368 N GLY A 28 18.617 15.003 1.832 1.00 0.00 N ATOM 369 CA GLY A 28 18.447 14.877 0.403 1.00 0.00 C ATOM 370 C GLY A 28 19.066 13.596 -0.097 1.00 0.00 C ATOM 371 O GLY A 28 19.514 13.512 -1.238 1.00 0.00 O ATOM 0 H GLY A 28 17.826 14.670 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.386 14.895 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.906 15.729 -0.099 1.00 0.00 H new ATOM 375 N ASN A 29 19.088 12.591 0.768 1.00 0.00 N ATOM 376 CA ASN A 29 19.687 11.302 0.425 1.00 0.00 C ATOM 377 C ASN A 29 18.616 10.223 0.314 1.00 0.00 C ATOM 378 O ASN A 29 17.533 10.360 0.873 1.00 0.00 O ATOM 379 CB ASN A 29 20.706 10.905 1.496 1.00 0.00 C ATOM 380 CG ASN A 29 21.847 10.071 0.945 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.686 9.325 -0.020 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.012 10.195 1.562 1.00 0.00 N ATOM 0 H ASN A 29 18.700 12.640 1.710 1.00 0.00 H new ATOM 0 HA ASN A 29 20.187 11.398 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.111 11.806 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.200 10.345 2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.819 9.660 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.103 10.825 2.359 1.00 0.00 H new ATOM 388 N TRP A 30 18.931 9.152 -0.399 1.00 0.00 N ATOM 389 CA TRP A 30 17.995 8.052 -0.583 1.00 0.00 C ATOM 390 C TRP A 30 18.190 6.984 0.484 1.00 0.00 C ATOM 391 O TRP A 30 19.308 6.521 0.715 1.00 0.00 O ATOM 392 CB TRP A 30 18.169 7.417 -1.961 1.00 0.00 C ATOM 393 CG TRP A 30 17.766 8.304 -3.093 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.554 8.733 -4.117 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.470 8.870 -3.317 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.826 9.525 -4.966 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.547 9.626 -4.497 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.254 8.811 -2.639 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.456 10.314 -5.011 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.169 9.496 -3.151 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.276 10.239 -4.329 1.00 0.00 C ATOM 0 H TRP A 30 19.831 9.021 -0.861 1.00 0.00 H new ATOM 0 HA TRP A 30 16.989 8.463 -0.498 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.213 7.133 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.581 6.500 -2.004 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.598 8.486 -4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.182 9.968 -5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.161 8.239 -1.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.538 10.890 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.223 9.456 -2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.410 10.763 -4.707 1.00 0.00 H new ATOM 411 N VAL A 31 17.103 6.596 1.128 1.00 0.00 N ATOM 412 CA VAL A 31 17.143 5.572 2.163 1.00 0.00 C ATOM 413 C VAL A 31 16.037 4.550 1.950 1.00 0.00 C ATOM 414 O VAL A 31 14.928 4.901 1.550 1.00 0.00 O ATOM 415 CB VAL A 31 17.010 6.168 3.581 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.261 6.945 3.957 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.781 7.057 3.694 1.00 0.00 C ATOM 0 H VAL A 31 16.173 6.977 0.952 1.00 0.00 H new ATOM 0 HA VAL A 31 18.117 5.089 2.084 1.00 0.00 H new ATOM 0 HB VAL A 31 16.892 5.339 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.146 7.356 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.123 6.279 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.412 7.758 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.716 7.461 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.858 7.877 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.887 6.471 3.479 1.00 0.00 H new ATOM 427 N THR A 32 16.346 3.287 2.202 1.00 0.00 N ATOM 428 CA THR A 32 15.372 2.223 2.038 1.00 0.00 C ATOM 429 C THR A 32 14.468 2.143 3.262 1.00 0.00 C ATOM 430 O THR A 32 14.918 1.781 4.353 1.00 0.00 O ATOM 431 CB THR A 32 16.055 0.858 1.835 1.00 0.00 C ATOM 432 OG1 THR A 32 17.130 0.975 0.890 1.00 0.00 O ATOM 433 CG2 THR A 32 15.054 -0.173 1.334 1.00 0.00 C ATOM 0 H THR A 32 17.264 2.976 2.521 1.00 0.00 H new ATOM 0 HA THR A 32 14.783 2.456 1.151 1.00 0.00 H new ATOM 0 HB THR A 32 16.451 0.532 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.842 1.527 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.556 -1.131 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.251 -0.285 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.637 0.157 0.383 1.00 0.00 H new ATOM 441 N SER A 33 13.207 2.487 3.085 1.00 0.00 N ATOM 442 CA SER A 33 12.247 2.447 4.178 1.00 0.00 C ATOM 443 C SER A 33 11.015 1.643 3.782 1.00 0.00 C ATOM 444 O SER A 33 10.659 1.581 2.603 1.00 0.00 O ATOM 445 CB SER A 33 11.862 3.867 4.586 1.00 0.00 C ATOM 446 OG SER A 33 13.006 4.590 5.018 1.00 0.00 O ATOM 0 H SER A 33 12.820 2.798 2.194 1.00 0.00 H new ATOM 0 HA SER A 33 12.708 1.953 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.397 4.380 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.123 3.834 5.386 1.00 0.00 H new ATOM 0 HG SER A 33 12.927 5.526 4.738 1.00 0.00 H new ATOM 451 N GLU A 34 10.379 1.013 4.767 1.00 0.00 N ATOM 452 CA GLU A 34 9.193 0.204 4.522 1.00 0.00 C ATOM 453 C GLU A 34 8.102 0.509 5.543 1.00 0.00 C ATOM 454 O GLU A 34 8.392 0.857 6.688 1.00 0.00 O ATOM 455 CB GLU A 34 9.546 -1.288 4.563 1.00 0.00 C ATOM 456 CG GLU A 34 10.565 -1.699 3.513 1.00 0.00 C ATOM 457 CD GLU A 34 10.822 -3.191 3.486 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.664 -3.670 4.273 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.200 -3.893 2.660 1.00 0.00 O ATOM 0 H GLU A 34 10.668 1.049 5.744 1.00 0.00 H new ATOM 0 HA GLU A 34 8.815 0.453 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.935 -1.534 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.637 -1.872 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.216 -1.379 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.504 -1.178 3.703 1.00 0.00 H new ATOM 464 N LEU A 35 6.853 0.391 5.116 1.00 0.00 N ATOM 465 CA LEU A 35 5.703 0.642 5.986 1.00 0.00 C ATOM 466 C LEU A 35 4.637 -0.412 5.711 1.00 0.00 C ATOM 467 O LEU A 35 4.352 -0.716 4.551 1.00 0.00 O ATOM 468 CB LEU A 35 5.143 2.055 5.726 1.00 0.00 C ATOM 469 CG LEU A 35 4.238 2.671 6.818 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.868 2.016 6.849 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.900 2.570 8.183 1.00 0.00 C ATOM 0 H LEU A 35 6.605 0.121 4.164 1.00 0.00 H new ATOM 0 HA LEU A 35 6.010 0.583 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.986 2.728 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.577 2.028 4.795 1.00 0.00 H new ATOM 0 HG LEU A 35 4.099 3.723 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.262 2.477 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.379 2.149 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.978 0.952 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.247 3.009 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.079 1.522 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.849 3.106 8.168 1.00 0.00 H new ATOM 482 N ASP A 36 4.065 -0.981 6.765 1.00 0.00 N ATOM 483 CA ASP A 36 3.024 -1.991 6.611 1.00 0.00 C ATOM 484 C ASP A 36 1.662 -1.318 6.614 1.00 0.00 C ATOM 485 O ASP A 36 1.201 -0.828 7.648 1.00 0.00 O ATOM 486 CB ASP A 36 3.090 -3.032 7.733 1.00 0.00 C ATOM 487 CG ASP A 36 4.394 -3.802 7.744 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.584 -4.680 6.881 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.242 -3.536 8.623 1.00 0.00 O ATOM 0 H ASP A 36 4.303 -0.762 7.732 1.00 0.00 H new ATOM 0 HA ASP A 36 3.182 -2.506 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.960 -2.533 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.261 -3.731 7.623 1.00 0.00 H new ATOM 493 N LEU A 37 1.019 -1.303 5.460 1.00 0.00 N ATOM 494 CA LEU A 37 -0.283 -0.662 5.316 1.00 0.00 C ATOM 495 C LEU A 37 -1.415 -1.575 5.762 1.00 0.00 C ATOM 496 O LEU A 37 -2.500 -1.101 6.087 1.00 0.00 O ATOM 497 CB LEU A 37 -0.525 -0.260 3.865 1.00 0.00 C ATOM 498 CG LEU A 37 0.724 0.045 3.044 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.340 0.322 1.604 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.479 1.227 3.627 1.00 0.00 C ATOM 0 H LEU A 37 1.376 -1.728 4.604 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.272 0.222 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.074 -1.062 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.168 0.620 3.854 1.00 0.00 H new ATOM 0 HG LEU A 37 1.381 -0.824 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.237 0.539 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.160 -0.552 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.333 1.178 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.366 1.425 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.835 2.107 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.779 0.999 4.650 1.00 0.00 H new ATOM 511 N ASP A 38 -1.159 -2.879 5.799 1.00 0.00 N ATOM 512 CA ASP A 38 -2.187 -3.853 6.181 1.00 0.00 C ATOM 513 C ASP A 38 -2.679 -3.624 7.602 1.00 0.00 C ATOM 514 O ASP A 38 -3.719 -4.141 7.990 1.00 0.00 O ATOM 515 CB ASP A 38 -1.673 -5.287 6.049 1.00 0.00 C ATOM 516 CG ASP A 38 -0.649 -5.640 7.106 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.542 -5.333 6.910 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.037 -6.234 8.134 1.00 0.00 O ATOM 0 H ASP A 38 -0.253 -3.289 5.571 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.021 -3.709 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.513 -5.978 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.231 -5.421 5.062 1.00 0.00 H new ATOM 522 N THR A 39 -1.934 -2.846 8.364 1.00 0.00 N ATOM 523 CA THR A 39 -2.301 -2.548 9.735 1.00 0.00 C ATOM 524 C THR A 39 -3.490 -1.594 9.780 1.00 0.00 C ATOM 525 O THR A 39 -4.223 -1.538 10.769 1.00 0.00 O ATOM 526 CB THR A 39 -1.118 -1.914 10.491 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.672 -0.736 9.800 1.00 0.00 O ATOM 528 CG2 THR A 39 0.033 -2.899 10.614 1.00 0.00 C ATOM 0 H THR A 39 -1.067 -2.407 8.055 1.00 0.00 H new ATOM 0 HA THR A 39 -2.574 -3.488 10.215 1.00 0.00 H new ATOM 0 HB THR A 39 -1.455 -1.645 11.492 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.337 -0.024 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.857 -2.430 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.300 -3.782 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.368 -3.193 9.619 1.00 0.00 H new ATOM 536 N CYS A 40 -3.685 -0.853 8.695 1.00 0.00 N ATOM 537 CA CYS A 40 -4.769 0.114 8.630 1.00 0.00 C ATOM 538 C CYS A 40 -5.617 -0.059 7.369 1.00 0.00 C ATOM 539 O CYS A 40 -6.570 0.688 7.151 1.00 0.00 O ATOM 540 CB CYS A 40 -4.190 1.523 8.692 1.00 0.00 C ATOM 541 SG CYS A 40 -3.009 1.760 10.043 1.00 0.00 S ATOM 0 H CYS A 40 -3.109 -0.904 7.854 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.427 -0.054 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.697 1.747 7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.005 2.238 8.803 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.573 2.985 10.028 1.00 0.00 H new ATOM 546 N ILE A 41 -5.268 -1.032 6.539 1.00 0.00 N ATOM 547 CA ILE A 41 -6.022 -1.299 5.322 1.00 0.00 C ATOM 548 C ILE A 41 -6.642 -2.686 5.378 1.00 0.00 C ATOM 549 O ILE A 41 -5.964 -3.665 5.699 1.00 0.00 O ATOM 550 CB ILE A 41 -5.154 -1.204 4.046 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.528 0.182 3.914 1.00 0.00 C ATOM 552 CG2 ILE A 41 -5.994 -1.516 2.814 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.704 0.357 2.656 1.00 0.00 C ATOM 0 H ILE A 41 -4.469 -1.649 6.686 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.794 -0.531 5.268 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.351 -1.937 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.319 0.932 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.896 0.370 4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.372 -1.446 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.399 -2.525 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.814 -0.801 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.290 1.365 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.891 -0.369 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.337 0.201 1.782 1.00 0.00 H new ATOM 564 N GLY A 42 -7.927 -2.763 5.067 1.00 0.00 N ATOM 565 CA GLY A 42 -8.620 -4.031 5.074 1.00 0.00 C ATOM 566 C GLY A 42 -9.748 -4.046 4.070 1.00 0.00 C ATOM 567 O GLY A 42 -10.152 -2.989 3.577 1.00 0.00 O ATOM 0 H GLY A 42 -8.504 -1.963 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.918 -4.833 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.015 -4.226 6.071 1.00 0.00 H new ATOM 571 N ASN A 43 -10.242 -5.237 3.748 1.00 0.00 N ATOM 572 CA ASN A 43 -11.336 -5.375 2.792 1.00 0.00 C ATOM 573 C ASN A 43 -12.032 -6.739 2.899 1.00 0.00 C ATOM 574 O ASN A 43 -12.262 -7.396 1.888 1.00 0.00 O ATOM 575 CB ASN A 43 -10.826 -5.158 1.357 1.00 0.00 C ATOM 576 CG ASN A 43 -9.738 -6.133 0.939 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.495 -5.780 1.201 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -10.010 -7.185 0.371 1.00 0.00 N flip ATOM 0 H ASN A 43 -9.904 -6.119 4.134 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.072 -4.609 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.665 -5.246 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.444 -4.141 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.983 -7.427 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.263 -7.818 0.086 1.00 0.00 H new ATOM 584 N PRO A 44 -12.450 -7.168 4.109 1.00 0.00 N ATOM 585 CA PRO A 44 -13.116 -8.467 4.284 1.00 0.00 C ATOM 586 C PRO A 44 -14.446 -8.526 3.537 1.00 0.00 C ATOM 587 O PRO A 44 -14.905 -9.596 3.130 1.00 0.00 O ATOM 588 CB PRO A 44 -13.345 -8.560 5.796 1.00 0.00 C ATOM 589 CG PRO A 44 -13.319 -7.149 6.273 1.00 0.00 C ATOM 590 CD PRO A 44 -12.342 -6.435 5.385 1.00 0.00 C ATOM 0 HA PRO A 44 -12.521 -9.289 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.299 -9.037 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.569 -9.155 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.309 -6.696 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.010 -7.095 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.599 -5.382 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.330 -6.473 5.787 1.00 0.00 H new ATOM 595 N ASN A 45 -15.047 -7.358 3.348 1.00 0.00 N ATOM 596 CA ASN A 45 -16.321 -7.245 2.651 1.00 0.00 C ATOM 597 C ASN A 45 -16.110 -7.193 1.144 1.00 0.00 C ATOM 598 O ASN A 45 -17.054 -7.340 0.370 1.00 0.00 O ATOM 599 CB ASN A 45 -17.074 -5.989 3.103 1.00 0.00 C ATOM 600 CG ASN A 45 -17.393 -5.998 4.585 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.565 -7.055 5.190 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.472 -4.815 5.176 1.00 0.00 N ATOM 0 H ASN A 45 -14.668 -6.468 3.671 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.914 -8.126 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.476 -5.108 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.001 -5.903 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.683 -4.756 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.322 -3.964 4.635 1.00 0.00 H new ATOM 608 N GLY A 46 -14.866 -6.996 0.730 1.00 0.00 N ATOM 609 CA GLY A 46 -14.572 -6.918 -0.682 1.00 0.00 C ATOM 610 C GLY A 46 -14.342 -5.502 -1.159 1.00 0.00 C ATOM 611 O GLY A 46 -14.248 -5.253 -2.359 1.00 0.00 O ATOM 0 H GLY A 46 -14.060 -6.889 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.687 -7.516 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.397 -7.356 -1.244 1.00 0.00 H new ATOM 615 N PHE A 47 -14.275 -4.563 -0.228 1.00 0.00 N ATOM 616 CA PHE A 47 -14.050 -3.172 -0.579 1.00 0.00 C ATOM 617 C PHE A 47 -12.844 -2.625 0.163 1.00 0.00 C ATOM 618 O PHE A 47 -12.706 -2.810 1.370 1.00 0.00 O ATOM 619 CB PHE A 47 -15.298 -2.338 -0.297 1.00 0.00 C ATOM 620 CG PHE A 47 -16.485 -2.782 -1.102 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.473 -2.687 -2.486 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.608 -3.300 -0.478 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.560 -3.099 -3.230 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.698 -3.714 -1.219 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.674 -3.614 -2.596 1.00 0.00 C ATOM 0 H PHE A 47 -14.373 -4.739 0.772 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.843 -3.112 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.540 -2.400 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.087 -1.291 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.604 -2.286 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.632 -3.381 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.540 -3.019 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.568 -4.116 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.525 -3.938 -3.177 1.00 0.00 H new ATOM 634 N LEU A 48 -11.988 -1.936 -0.572 1.00 0.00 N ATOM 635 CA LEU A 48 -10.756 -1.384 -0.032 1.00 0.00 C ATOM 636 C LEU A 48 -10.978 -0.048 0.659 1.00 0.00 C ATOM 637 O LEU A 48 -11.716 0.804 0.167 1.00 0.00 O ATOM 638 CB LEU A 48 -9.756 -1.202 -1.170 1.00 0.00 C ATOM 639 CG LEU A 48 -9.192 -2.495 -1.756 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.405 -2.204 -3.021 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.307 -3.192 -0.738 1.00 0.00 C ATOM 0 H LEU A 48 -12.128 -1.743 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.375 -2.081 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.239 -0.640 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.927 -0.594 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.024 -3.153 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.010 -3.136 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.059 -1.737 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.580 -1.530 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.912 -4.112 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.481 -2.536 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.892 -3.430 0.151 1.00 0.00 H new ATOM 652 N GLY A 49 -10.329 0.121 1.801 1.00 0.00 N ATOM 653 CA GLY A 49 -10.436 1.359 2.543 1.00 0.00 C ATOM 654 C GLY A 49 -9.557 1.352 3.770 1.00 0.00 C ATOM 655 O GLY A 49 -8.962 0.324 4.108 1.00 0.00 O ATOM 0 H GLY A 49 -9.727 -0.582 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.157 2.194 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.473 1.517 2.839 1.00 0.00 H new ATOM 659 N TRP A 50 -9.472 2.493 4.434 1.00 0.00 N ATOM 660 CA TRP A 50 -8.658 2.616 5.631 1.00 0.00 C ATOM 661 C TRP A 50 -9.514 2.412 6.877 1.00 0.00 C ATOM 662 O TRP A 50 -10.565 3.036 7.034 1.00 0.00 O ATOM 663 CB TRP A 50 -7.975 3.991 5.673 1.00 0.00 C ATOM 664 CG TRP A 50 -6.970 4.207 4.575 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.197 4.759 3.343 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.577 3.877 4.614 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.022 4.801 2.622 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.018 4.258 3.380 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.749 3.298 5.577 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.668 4.077 3.085 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.411 3.117 5.282 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.882 3.504 4.047 1.00 0.00 C ATOM 0 H TRP A 50 -9.958 3.348 4.164 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.887 1.845 5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.738 4.767 5.611 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.478 4.109 6.636 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.155 5.110 2.988 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.918 5.175 1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.147 2.997 6.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.258 4.378 2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.762 2.668 6.019 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.832 3.347 3.849 1.00 0.00 H new ATOM 682 N GLY A 51 -9.068 1.519 7.749 1.00 0.00 N ATOM 683 CA GLY A 51 -9.793 1.233 8.971 1.00 0.00 C ATOM 684 C GLY A 51 -9.554 -0.182 9.457 1.00 0.00 C ATOM 685 O GLY A 51 -9.006 -0.395 10.541 1.00 0.00 O ATOM 0 H GLY A 51 -8.209 0.983 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.490 1.938 9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.859 1.383 8.803 1.00 0.00 H new ATOM 689 N MET A 52 -9.961 -1.148 8.645 1.00 0.00 N ATOM 690 CA MET A 52 -9.794 -2.559 8.974 1.00 0.00 C ATOM 691 C MET A 52 -8.336 -2.964 8.736 1.00 0.00 C ATOM 692 O MET A 52 -7.530 -2.135 8.328 1.00 0.00 O ATOM 693 CB MET A 52 -10.753 -3.394 8.118 1.00 0.00 C ATOM 694 CG MET A 52 -11.220 -4.702 8.754 1.00 0.00 C ATOM 695 SD MET A 52 -12.294 -4.466 10.193 1.00 0.00 S ATOM 696 CE MET A 52 -11.112 -4.074 11.483 1.00 0.00 C ATOM 0 H MET A 52 -10.413 -0.979 7.746 1.00 0.00 H new ATOM 0 HA MET A 52 -10.030 -2.736 10.023 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.629 -2.788 7.886 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.264 -3.623 7.171 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.752 -5.290 8.006 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.347 -5.282 9.054 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.387 -4.597 12.399 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.116 -4.387 11.171 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.114 -2.999 11.664 1.00 0.00 H new ATOM 704 N GLN A 53 -7.990 -4.220 8.985 1.00 0.00 N ATOM 705 CA GLN A 53 -6.616 -4.669 8.802 1.00 0.00 C ATOM 706 C GLN A 53 -6.552 -5.998 8.054 1.00 0.00 C ATOM 707 O GLN A 53 -7.584 -6.615 7.775 1.00 0.00 O ATOM 708 CB GLN A 53 -5.932 -4.807 10.165 1.00 0.00 C ATOM 709 CG GLN A 53 -6.579 -5.842 11.067 1.00 0.00 C ATOM 710 CD GLN A 53 -5.911 -5.934 12.425 1.00 0.00 C ATOM 711 OE1 GLN A 53 -6.300 -5.252 13.373 1.00 0.00 O ATOM 712 NE2 GLN A 53 -4.890 -6.771 12.527 1.00 0.00 N ATOM 0 H GLN A 53 -8.635 -4.940 9.311 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.096 -3.923 8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.886 -5.073 10.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.944 -3.840 10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.632 -5.594 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.540 -6.817 10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.597 -7.319 11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.396 -6.867 13.414 1.00 0.00 H new ATOM 719 N ASN A 54 -5.327 -6.420 7.729 1.00 0.00 N ATOM 720 CA ASN A 54 -5.080 -7.683 7.025 1.00 0.00 C ATOM 721 C ASN A 54 -5.726 -7.712 5.641 1.00 0.00 C ATOM 722 O ASN A 54 -6.336 -8.711 5.261 1.00 0.00 O ATOM 723 CB ASN A 54 -5.592 -8.873 7.848 1.00 0.00 C ATOM 724 CG ASN A 54 -4.524 -9.520 8.712 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.558 -10.727 8.937 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.580 -8.740 9.212 1.00 0.00 N ATOM 0 H ASN A 54 -4.479 -5.897 7.946 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.000 -7.761 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.410 -8.538 8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.003 -9.622 7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.851 -9.137 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.581 -7.741 9.005 1.00 0.00 H new ATOM 732 N PHE A 55 -5.566 -6.638 4.874 1.00 0.00 N ATOM 733 CA PHE A 55 -6.159 -6.566 3.537 1.00 0.00 C ATOM 734 C PHE A 55 -5.537 -7.591 2.588 1.00 0.00 C ATOM 735 O PHE A 55 -6.194 -8.068 1.668 1.00 0.00 O ATOM 736 CB PHE A 55 -6.017 -5.154 2.948 1.00 0.00 C ATOM 737 CG PHE A 55 -4.673 -4.853 2.334 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.559 -4.644 3.127 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.534 -4.765 0.956 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.330 -4.358 2.560 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.309 -4.481 0.385 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.206 -4.276 1.188 1.00 0.00 C ATOM 0 H PHE A 55 -5.036 -5.811 5.149 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.218 -6.800 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.786 -5.014 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.211 -4.426 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.650 -4.705 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.395 -4.921 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.468 -4.199 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.215 -4.419 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.247 -4.052 0.744 1.00 0.00 H new ATOM 751 N SER A 56 -4.281 -7.942 2.834 1.00 0.00 N ATOM 752 CA SER A 56 -3.569 -8.895 1.992 1.00 0.00 C ATOM 753 C SER A 56 -4.205 -10.282 2.053 1.00 0.00 C ATOM 754 O SER A 56 -4.156 -11.041 1.090 1.00 0.00 O ATOM 755 CB SER A 56 -2.100 -8.961 2.418 1.00 0.00 C ATOM 756 OG SER A 56 -1.984 -9.078 3.828 1.00 0.00 O ATOM 0 H SER A 56 -3.732 -7.579 3.613 1.00 0.00 H new ATOM 0 HA SER A 56 -3.632 -8.552 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.616 -9.812 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.579 -8.065 2.080 1.00 0.00 H new ATOM 0 HG SER A 56 -1.037 -9.120 4.076 1.00 0.00 H new ATOM 761 N HIS A 57 -4.837 -10.593 3.177 1.00 0.00 N ATOM 762 CA HIS A 57 -5.471 -11.891 3.355 1.00 0.00 C ATOM 763 C HIS A 57 -6.854 -11.922 2.715 1.00 0.00 C ATOM 764 O HIS A 57 -7.522 -12.957 2.713 1.00 0.00 O ATOM 765 CB HIS A 57 -5.565 -12.249 4.840 1.00 0.00 C ATOM 766 CG HIS A 57 -4.238 -12.566 5.458 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.579 -11.708 6.312 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.439 -13.652 5.336 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.435 -12.250 6.682 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.327 -13.430 6.106 1.00 0.00 N ATOM 0 H HIS A 57 -4.924 -9.966 3.977 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.849 -12.634 2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.020 -11.418 5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.227 -13.106 4.959 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.641 -14.531 4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.709 -11.802 7.345 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.543 -14.074 6.215 1.00 0.00 H new ATOM 778 N SER A 58 -7.280 -10.789 2.181 1.00 0.00 N ATOM 779 CA SER A 58 -8.579 -10.690 1.537 1.00 0.00 C ATOM 780 C SER A 58 -8.442 -10.128 0.124 1.00 0.00 C ATOM 781 O SER A 58 -9.428 -9.756 -0.501 1.00 0.00 O ATOM 782 CB SER A 58 -9.503 -9.794 2.365 1.00 0.00 C ATOM 783 OG SER A 58 -9.527 -10.203 3.724 1.00 0.00 O ATOM 0 H SER A 58 -6.743 -9.922 2.181 1.00 0.00 H new ATOM 0 HA SER A 58 -9.008 -11.690 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.166 -8.759 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.512 -9.828 1.954 1.00 0.00 H new ATOM 0 HG SER A 58 -10.123 -9.614 4.232 1.00 0.00 H new ATOM 788 N SER A 59 -7.223 -10.085 -0.393 1.00 0.00 N ATOM 789 CA SER A 59 -7.002 -9.542 -1.724 1.00 0.00 C ATOM 790 C SER A 59 -6.063 -10.415 -2.544 1.00 0.00 C ATOM 791 O SER A 59 -5.207 -11.117 -2.006 1.00 0.00 O ATOM 792 CB SER A 59 -6.437 -8.123 -1.636 1.00 0.00 C ATOM 793 OG SER A 59 -7.334 -7.245 -0.977 1.00 0.00 O ATOM 0 H SER A 59 -6.382 -10.415 0.081 1.00 0.00 H new ATOM 0 HA SER A 59 -7.969 -9.519 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.487 -8.141 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.232 -7.749 -2.639 1.00 0.00 H new ATOM 0 HG SER A 59 -7.169 -7.273 -0.011 1.00 0.00 H new ATOM 798 N GLU A 60 -6.248 -10.360 -3.852 1.00 0.00 N ATOM 799 CA GLU A 60 -5.436 -11.113 -4.792 1.00 0.00 C ATOM 800 C GLU A 60 -4.763 -10.152 -5.762 1.00 0.00 C ATOM 801 O GLU A 60 -5.374 -9.163 -6.169 1.00 0.00 O ATOM 802 CB GLU A 60 -6.309 -12.100 -5.564 1.00 0.00 C ATOM 803 CG GLU A 60 -7.080 -13.056 -4.673 1.00 0.00 C ATOM 804 CD GLU A 60 -8.088 -13.877 -5.445 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.702 -14.920 -6.008 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.268 -13.480 -5.494 1.00 0.00 O ATOM 0 H GLU A 60 -6.969 -9.789 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.675 -11.669 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.014 -11.543 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.679 -12.676 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.381 -13.724 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.595 -12.490 -3.897 1.00 0.00 H new ATOM 811 N ASP A 61 -3.512 -10.439 -6.114 1.00 0.00 N ATOM 812 CA ASP A 61 -2.743 -9.609 -7.043 1.00 0.00 C ATOM 813 C ASP A 61 -2.611 -8.175 -6.531 1.00 0.00 C ATOM 814 O ASP A 61 -3.340 -7.274 -6.946 1.00 0.00 O ATOM 815 CB ASP A 61 -3.371 -9.624 -8.445 1.00 0.00 C ATOM 816 CG ASP A 61 -2.632 -8.735 -9.430 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.430 -8.983 -9.679 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.256 -7.798 -9.972 1.00 0.00 O ATOM 0 H ASP A 61 -3.002 -11.251 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.742 -10.036 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.382 -10.646 -8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.409 -9.299 -8.377 1.00 0.00 H new ATOM 822 N ILE A 62 -1.682 -7.979 -5.609 1.00 0.00 N ATOM 823 CA ILE A 62 -1.439 -6.665 -5.039 1.00 0.00 C ATOM 824 C ILE A 62 -0.294 -5.979 -5.775 1.00 0.00 C ATOM 825 O ILE A 62 0.806 -6.525 -5.880 1.00 0.00 O ATOM 826 CB ILE A 62 -1.111 -6.757 -3.533 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.279 -7.401 -2.779 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.806 -5.376 -2.972 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.017 -7.607 -1.301 1.00 0.00 C ATOM 0 H ILE A 62 -1.082 -8.716 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.350 -6.077 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.227 -7.381 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.164 -6.776 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.506 -8.364 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.577 -5.457 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.050 -4.951 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.672 -4.729 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.890 -8.067 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.152 -8.258 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.820 -6.645 -0.829 1.00 0.00 H new ATOM 840 N LYS A 63 -0.562 -4.799 -6.310 1.00 0.00 N ATOM 841 CA LYS A 63 0.440 -4.045 -7.041 1.00 0.00 C ATOM 842 C LYS A 63 0.185 -2.550 -6.876 1.00 0.00 C ATOM 843 O LYS A 63 -0.910 -2.145 -6.513 1.00 0.00 O ATOM 844 CB LYS A 63 0.382 -4.437 -8.520 1.00 0.00 C ATOM 845 CG LYS A 63 1.591 -4.010 -9.335 1.00 0.00 C ATOM 846 CD LYS A 63 2.862 -4.671 -8.831 1.00 0.00 C ATOM 847 CE LYS A 63 3.999 -4.518 -9.825 1.00 0.00 C ATOM 848 NZ LYS A 63 3.712 -5.215 -11.107 1.00 0.00 N ATOM 0 H LYS A 63 -1.472 -4.341 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 63 1.431 -4.271 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.276 -5.519 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.512 -3.999 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.435 -4.269 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.699 -2.926 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.149 -4.230 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.676 -5.730 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.172 -3.459 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.916 -4.917 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.605 -5.414 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.218 -6.109 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.112 -4.610 -11.704 1.00 0.00 H new ATOM 858 N LEU A 64 1.196 -1.737 -7.119 1.00 0.00 N ATOM 859 CA LEU A 64 1.046 -0.294 -7.011 1.00 0.00 C ATOM 860 C LEU A 64 0.577 0.280 -8.338 1.00 0.00 C ATOM 861 O LEU A 64 1.153 0.001 -9.392 1.00 0.00 O ATOM 862 CB LEU A 64 2.360 0.346 -6.569 1.00 0.00 C ATOM 863 CG LEU A 64 2.674 0.179 -5.083 1.00 0.00 C ATOM 864 CD1 LEU A 64 4.125 0.534 -4.797 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.744 1.040 -4.247 1.00 0.00 C ATOM 0 H LEU A 64 2.128 -2.048 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 64 0.293 -0.070 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.174 -0.086 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.329 1.410 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 64 2.518 -0.866 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.327 0.408 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.780 -0.122 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.309 1.570 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.980 0.911 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.872 2.087 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.711 0.741 -4.428 1.00 0.00 H new ATOM 876 N GLU A 65 -0.475 1.081 -8.269 1.00 0.00 N ATOM 877 CA GLU A 65 -1.067 1.683 -9.451 1.00 0.00 C ATOM 878 C GLU A 65 -0.243 2.864 -9.940 1.00 0.00 C ATOM 879 O GLU A 65 0.409 2.786 -10.976 1.00 0.00 O ATOM 880 CB GLU A 65 -2.499 2.134 -9.145 1.00 0.00 C ATOM 881 CG GLU A 65 -3.296 2.512 -10.382 1.00 0.00 C ATOM 882 CD GLU A 65 -3.467 1.349 -11.340 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.007 0.234 -11.021 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.064 1.544 -12.414 1.00 0.00 O ATOM 0 H GLU A 65 -0.940 1.330 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.084 0.933 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.019 1.333 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.465 2.989 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.278 2.877 -10.080 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.795 3.332 -10.897 1.00 0.00 H new ATOM 889 N GLU A 66 -0.250 3.944 -9.171 1.00 0.00 N ATOM 890 CA GLU A 66 0.486 5.147 -9.535 1.00 0.00 C ATOM 891 C GLU A 66 1.954 5.033 -9.153 1.00 0.00 C ATOM 892 O GLU A 66 2.605 6.030 -8.847 1.00 0.00 O ATOM 893 CB GLU A 66 -0.125 6.358 -8.851 1.00 0.00 C ATOM 894 CG GLU A 66 -1.625 6.441 -9.017 1.00 0.00 C ATOM 895 CD GLU A 66 -2.208 7.712 -8.443 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.084 8.773 -9.090 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.794 7.656 -7.349 1.00 0.00 O ATOM 0 H GLU A 66 -0.758 4.012 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 66 0.421 5.265 -10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.115 6.327 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.329 7.263 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.873 6.379 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.088 5.582 -8.531 1.00 0.00 H new ATOM 902 N GLY A 67 2.456 3.812 -9.150 1.00 0.00 N ATOM 903 CA GLY A 67 3.842 3.573 -8.809 1.00 0.00 C ATOM 904 C GLY A 67 4.157 3.851 -7.354 1.00 0.00 C ATOM 905 O GLY A 67 5.323 3.960 -6.985 1.00 0.00 O ATOM 0 H GLY A 67 1.924 2.973 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.091 2.536 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.477 4.198 -9.437 1.00 0.00 H new ATOM 909 N GLY A 68 3.127 3.975 -6.523 1.00 0.00 N ATOM 910 CA GLY A 68 3.368 4.227 -5.120 1.00 0.00 C ATOM 911 C GLY A 68 2.317 5.106 -4.479 1.00 0.00 C ATOM 912 O GLY A 68 2.093 5.022 -3.276 1.00 0.00 O ATOM 0 H GLY A 68 2.146 3.906 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.409 3.276 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.344 4.698 -5.005 1.00 0.00 H new ATOM 916 N ARG A 69 1.658 5.942 -5.275 1.00 0.00 N ATOM 917 CA ARG A 69 0.636 6.841 -4.745 1.00 0.00 C ATOM 918 C ARG A 69 -0.647 6.076 -4.458 1.00 0.00 C ATOM 919 O ARG A 69 -1.463 6.485 -3.637 1.00 0.00 O ATOM 920 CB ARG A 69 0.321 7.953 -5.748 1.00 0.00 C ATOM 921 CG ARG A 69 1.534 8.666 -6.317 1.00 0.00 C ATOM 922 CD ARG A 69 1.986 9.808 -5.428 1.00 0.00 C ATOM 923 NE ARG A 69 2.997 10.630 -6.091 1.00 0.00 N ATOM 924 CZ ARG A 69 2.817 11.907 -6.427 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.659 12.509 -6.186 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.791 12.569 -7.035 1.00 0.00 N ATOM 0 H ARG A 69 1.810 6.017 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 69 1.024 7.276 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.251 7.527 -6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.320 8.689 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.351 7.954 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.297 9.050 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.128 10.426 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.391 9.409 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 69 3.895 10.200 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.899 11.994 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.529 13.487 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.673 12.101 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.659 13.547 -7.294 1.00 0.00 H new ATOM 937 N LYS A 70 -0.806 4.951 -5.138 1.00 0.00 N ATOM 938 CA LYS A 70 -2.001 4.144 -4.999 1.00 0.00 C ATOM 939 C LYS A 70 -1.673 2.665 -5.136 1.00 0.00 C ATOM 940 O LYS A 70 -0.750 2.296 -5.861 1.00 0.00 O ATOM 941 CB LYS A 70 -2.998 4.551 -6.077 1.00 0.00 C ATOM 942 CG LYS A 70 -4.382 3.950 -5.899 1.00 0.00 C ATOM 943 CD LYS A 70 -5.316 4.352 -7.024 1.00 0.00 C ATOM 944 CE LYS A 70 -5.530 5.855 -7.065 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.471 6.248 -8.143 1.00 0.00 N ATOM 0 H LYS A 70 -0.118 4.578 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.429 4.308 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.084 5.638 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.607 4.254 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.305 2.863 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.800 4.274 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.905 4.017 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.276 3.851 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.917 6.194 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.573 6.354 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.591 7.281 -8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.090 5.947 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.392 5.792 -7.984 1.00 0.00 H new ATOM 955 N LEU A 71 -2.431 1.835 -4.442 1.00 0.00 N ATOM 956 CA LEU A 71 -2.248 0.391 -4.482 1.00 0.00 C ATOM 957 C LEU A 71 -3.490 -0.264 -5.088 1.00 0.00 C ATOM 958 O LEU A 71 -4.607 -0.024 -4.630 1.00 0.00 O ATOM 959 CB LEU A 71 -1.990 -0.127 -3.060 1.00 0.00 C ATOM 960 CG LEU A 71 -1.748 -1.634 -2.908 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.897 -1.899 -1.677 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.065 -2.388 -2.790 1.00 0.00 C ATOM 0 H LEU A 71 -3.191 2.141 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.389 0.139 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.124 0.399 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.844 0.145 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.226 -1.987 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.729 -2.971 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.061 -1.390 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.412 -1.527 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.866 -3.454 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.611 -2.032 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.663 -2.219 -3.686 1.00 0.00 H new ATOM 973 N THR A 72 -3.299 -1.066 -6.122 1.00 0.00 N ATOM 974 CA THR A 72 -4.403 -1.750 -6.768 1.00 0.00 C ATOM 975 C THR A 72 -4.308 -3.258 -6.573 1.00 0.00 C ATOM 976 O THR A 72 -3.268 -3.874 -6.825 1.00 0.00 O ATOM 977 CB THR A 72 -4.466 -1.424 -8.273 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.141 -1.259 -8.806 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.285 -0.167 -8.514 1.00 0.00 C ATOM 0 H THR A 72 -2.385 -1.259 -6.532 1.00 0.00 H new ATOM 0 HA THR A 72 -5.318 -1.391 -6.297 1.00 0.00 H new ATOM 0 HB THR A 72 -4.949 -2.257 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.175 -0.678 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.318 0.047 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.299 -0.317 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.827 0.672 -7.990 1.00 0.00 H new ATOM 987 N CYS A 73 -5.395 -3.841 -6.106 1.00 0.00 N ATOM 988 CA CYS A 73 -5.469 -5.269 -5.872 1.00 0.00 C ATOM 989 C CYS A 73 -6.903 -5.725 -6.073 1.00 0.00 C ATOM 990 O CYS A 73 -7.798 -4.902 -6.249 1.00 0.00 O ATOM 991 CB CYS A 73 -4.998 -5.604 -4.454 1.00 0.00 C ATOM 992 SG CYS A 73 -5.928 -4.771 -3.144 1.00 0.00 S ATOM 0 H CYS A 73 -6.252 -3.337 -5.878 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.817 -5.788 -6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.069 -6.681 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.945 -5.338 -4.361 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.455 -5.122 -1.985 1.00 0.00 H new ATOM 997 N ARG A 74 -7.128 -7.021 -6.074 1.00 0.00 N ATOM 998 CA ARG A 74 -8.472 -7.539 -6.244 1.00 0.00 C ATOM 999 C ARG A 74 -9.005 -8.022 -4.902 1.00 0.00 C ATOM 1000 O ARG A 74 -8.681 -9.122 -4.455 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.466 -8.653 -7.296 1.00 0.00 C ATOM 1002 CG ARG A 74 -9.845 -9.110 -7.756 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.436 -10.202 -6.873 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.732 -10.642 -7.385 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.304 -11.814 -7.108 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.692 -12.702 -6.334 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.488 -12.101 -7.635 1.00 0.00 N ATOM 0 H ARG A 74 -6.406 -7.732 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.137 -6.752 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.905 -8.309 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.931 -9.512 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.520 -8.254 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.777 -9.476 -8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.752 -11.049 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.550 -9.830 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.237 -10.005 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.774 -12.491 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.140 -13.595 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.951 -11.428 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.935 -12.995 -7.430 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.807 -7.180 -4.235 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.398 -7.503 -2.940 1.00 0.00 C ATOM 1020 C PRO A 75 -11.506 -8.532 -3.075 1.00 0.00 C ATOM 1021 O PRO A 75 -12.434 -8.359 -3.869 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.971 -6.168 -2.468 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.274 -5.435 -3.723 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.207 -5.842 -4.699 1.00 0.00 C ATOM 0 HA PRO A 75 -9.674 -7.935 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.867 -6.311 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.255 -5.623 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.265 -5.692 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.264 -4.357 -3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.587 -5.869 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.368 -5.146 -4.689 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.377 -9.615 -2.335 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.353 -10.682 -2.352 1.00 0.00 C ATOM 1031 C LYS A 76 -12.919 -10.922 -0.958 1.00 0.00 C ATOM 1032 O LYS A 76 -12.188 -10.876 0.031 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.717 -11.959 -2.900 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.360 -12.283 -2.279 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.461 -13.316 -1.168 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.615 -14.721 -1.723 1.00 0.00 C ATOM 1037 NZ LYS A 76 -10.589 -15.749 -0.647 1.00 0.00 N ATOM 0 H LYS A 76 -10.592 -9.779 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.177 -10.390 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.395 -12.795 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.599 -11.862 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.688 -12.652 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.918 -11.369 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.570 -13.267 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.312 -13.081 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.554 -14.794 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.814 -14.920 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.697 -16.694 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.683 -15.697 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.369 -15.575 0.018 1.00 0.00 H new ATOM 1047 N THR A 77 -14.218 -11.170 -0.870 1.00 0.00 N ATOM 1048 CA THR A 77 -14.821 -11.440 0.418 1.00 0.00 C ATOM 1049 C THR A 77 -14.439 -12.844 0.847 1.00 0.00 C ATOM 1050 O THR A 77 -14.546 -13.795 0.057 1.00 0.00 O ATOM 1051 CB THR A 77 -16.361 -11.297 0.411 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.872 -11.464 1.740 1.00 0.00 O ATOM 1053 CG2 THR A 77 -17.010 -12.324 -0.505 1.00 0.00 C ATOM 0 H THR A 77 -14.861 -11.189 -1.662 1.00 0.00 H new ATOM 0 HA THR A 77 -14.445 -10.697 1.121 1.00 0.00 H new ATOM 0 HB THR A 77 -16.601 -10.301 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.357 -10.908 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.092 -12.196 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.646 -12.186 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.758 -13.328 -0.163 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.982 -12.965 2.086 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.560 -14.242 2.639 1.00 0.00 C ATOM 1063 C VAL A 78 -14.754 -15.132 2.963 1.00 0.00 C ATOM 1064 O VAL A 78 -14.591 -16.267 3.407 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.702 -14.047 3.905 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.410 -13.319 3.565 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.480 -13.293 4.979 1.00 0.00 C ATOM 0 H VAL A 78 -13.894 -12.182 2.734 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.956 -14.733 1.876 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.449 -15.031 4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.816 -13.190 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.843 -13.903 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.643 -12.342 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.853 -13.168 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.770 -12.314 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.373 -13.858 5.245 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.953 -14.606 2.743 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.170 -15.359 2.998 1.00 0.00 C ATOM 1079 C ASP A 79 -17.292 -16.495 1.992 1.00 0.00 C ATOM 1080 O ASP A 79 -17.791 -17.576 2.308 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.391 -14.445 2.902 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.657 -15.114 3.396 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.885 -15.115 4.625 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.438 -15.621 2.564 1.00 0.00 O ATOM 0 H ASP A 79 -16.106 -13.662 2.389 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.123 -15.773 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.211 -13.541 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.528 -14.135 1.866 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.814 -16.241 0.777 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.867 -17.243 -0.269 1.00 0.00 C ATOM 1090 C GLY A 80 -15.706 -17.134 -1.240 1.00 0.00 C ATOM 1091 O GLY A 80 -15.339 -18.114 -1.889 1.00 0.00 O ATOM 0 H GLY A 80 -16.390 -15.356 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.866 -18.235 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.804 -17.143 -0.816 1.00 0.00 H new ATOM 1095 N GLY A 81 -15.118 -15.944 -1.338 1.00 0.00 N ATOM 1096 CA GLY A 81 -14.004 -15.739 -2.241 1.00 0.00 C ATOM 1097 C GLY A 81 -14.426 -15.041 -3.511 1.00 0.00 C ATOM 1098 O GLY A 81 -13.720 -15.076 -4.517 1.00 0.00 O ATOM 0 H GLY A 81 -15.395 -15.119 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.236 -15.149 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.556 -16.701 -2.488 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.575 -14.393 -3.457 1.00 0.00 N ATOM 1103 CA PHE A 82 -16.116 -13.694 -4.618 1.00 0.00 C ATOM 1104 C PHE A 82 -16.066 -12.197 -4.391 1.00 0.00 C ATOM 1105 O PHE A 82 -16.122 -11.772 -3.245 1.00 0.00 O ATOM 1106 CB PHE A 82 -17.557 -14.147 -4.895 1.00 0.00 C ATOM 1107 CG PHE A 82 -18.454 -14.120 -3.684 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.526 -15.214 -2.838 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -19.222 -13.003 -3.394 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.342 -15.195 -1.724 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -20.042 -12.979 -2.280 1.00 0.00 C ATOM 1112 CZ PHE A 82 -20.100 -14.079 -1.443 1.00 0.00 C ATOM 0 H PHE A 82 -16.156 -14.334 -2.621 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.508 -13.938 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.986 -13.507 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -17.537 -15.160 -5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.937 -16.093 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -19.180 -12.142 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.386 -16.055 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.636 -12.103 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.738 -14.063 -0.572 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.943 -11.412 -5.471 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.900 -9.945 -5.380 1.00 0.00 C ATOM 1123 C ARG A 83 -15.452 -9.323 -6.699 1.00 0.00 C ATOM 1124 O ARG A 83 -15.631 -9.915 -7.768 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.944 -9.504 -4.284 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.518 -8.477 -3.323 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.573 -9.087 -2.413 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.867 -9.203 -3.077 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.009 -8.725 -2.579 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.029 -8.106 -1.405 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.132 -8.864 -3.265 1.00 0.00 N ATOM 0 H ARG A 83 -15.871 -11.771 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.910 -9.606 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.633 -10.381 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.048 -9.090 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.715 -8.056 -2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.956 -7.655 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.244 -10.073 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.678 -8.474 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.901 -9.679 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.166 -7.992 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.908 -7.745 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.122 -9.335 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.008 -8.500 -2.889 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.867 -8.125 -6.611 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.407 -7.391 -7.781 1.00 0.00 C ATOM 1144 C GLU A 84 -13.020 -6.812 -7.523 1.00 0.00 C ATOM 1145 O GLU A 84 -12.565 -6.791 -6.385 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.360 -6.233 -8.085 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.830 -6.554 -7.882 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.741 -5.518 -8.504 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.902 -4.426 -7.920 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.305 -5.794 -9.581 1.00 0.00 O ATOM 0 H GLU A 84 -14.702 -7.643 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.375 -8.080 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.096 -5.386 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.210 -5.918 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.048 -7.531 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.039 -6.623 -6.815 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.360 -6.339 -8.573 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.041 -5.732 -8.435 1.00 0.00 C ATOM 1157 C ARG A 85 -11.218 -4.284 -7.991 1.00 0.00 C ATOM 1158 O ARG A 85 -12.270 -3.693 -8.238 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.278 -5.802 -9.758 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.808 -5.439 -9.644 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.109 -5.557 -10.986 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.694 -5.209 -10.901 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.035 -4.542 -11.844 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.654 -4.162 -12.958 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.750 -4.265 -11.679 1.00 0.00 N ATOM 0 H ARG A 85 -12.716 -6.364 -9.529 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.460 -6.275 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.362 -6.811 -10.161 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.752 -5.132 -10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.710 -4.421 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.324 -6.094 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.209 -6.577 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.600 -4.904 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.180 -5.495 -10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.641 -4.382 -13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.142 -3.651 -13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.269 -4.563 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.242 -3.754 -12.401 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.207 -3.704 -7.356 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.329 -2.330 -6.869 1.00 0.00 C ATOM 1178 C GLN A 86 -8.954 -1.707 -6.602 1.00 0.00 C ATOM 1179 O GLN A 86 -7.922 -2.315 -6.882 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.181 -2.351 -5.592 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.805 -1.017 -5.213 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.743 -1.127 -4.022 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.411 -2.264 -3.889 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.874 -0.195 -3.231 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.309 -4.150 -7.167 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.809 -1.713 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.977 -3.085 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.559 -2.692 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.014 -0.303 -4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.354 -0.621 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.343 0.666 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.513 -0.283 -2.441 1.00 0.00 H new ATOM 1191 N GLY A 87 -8.946 -0.486 -6.079 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.704 0.194 -5.773 1.00 0.00 C ATOM 1193 C GLY A 87 -7.868 1.178 -4.632 1.00 0.00 C ATOM 1194 O GLY A 87 -8.889 1.858 -4.538 1.00 0.00 O ATOM 0 H GLY A 87 -9.787 0.048 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.942 -0.541 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.350 0.721 -6.659 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.867 1.258 -3.771 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.910 2.156 -2.628 1.00 0.00 C ATOM 1200 C ILE A 88 -5.756 3.150 -2.678 1.00 0.00 C ATOM 1201 O ILE A 88 -4.608 2.786 -2.942 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.887 1.380 -1.286 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.832 2.352 -0.102 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.718 0.404 -1.241 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.911 1.671 1.246 1.00 0.00 C ATOM 0 H ILE A 88 -6.010 0.709 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.851 2.703 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.808 0.803 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.906 2.925 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.653 3.064 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.724 -0.128 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.810 -0.312 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.782 0.953 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.866 2.421 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.849 1.120 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.075 0.980 1.354 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.083 4.409 -2.447 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.103 5.483 -2.460 1.00 0.00 C ATOM 1218 C ASP A 89 -4.218 5.421 -1.212 1.00 0.00 C ATOM 1219 O ASP A 89 -4.712 5.217 -0.099 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.828 6.824 -2.544 1.00 0.00 C ATOM 1221 CG ASP A 89 -4.883 7.997 -2.545 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -4.526 8.470 -1.449 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -4.495 8.455 -3.638 1.00 0.00 O ATOM 0 H ASP A 89 -7.034 4.717 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.457 5.371 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.433 6.849 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.513 6.915 -1.701 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.915 5.603 -1.401 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.961 5.532 -0.296 1.00 0.00 C ATOM 1229 C LEU A 90 -1.373 6.888 0.067 1.00 0.00 C ATOM 1230 O LEU A 90 -0.197 6.989 0.421 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.825 4.600 -0.658 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.241 3.211 -1.104 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.005 2.426 -1.449 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.053 2.514 -0.021 1.00 0.00 C ATOM 0 H LEU A 90 -2.494 5.801 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.514 5.163 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.240 5.059 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.167 4.504 0.205 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.879 3.284 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.288 1.424 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.532 2.928 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.638 2.356 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.340 1.520 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.452 2.426 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.949 3.096 0.193 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.179 7.923 0.003 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.717 9.270 0.348 1.00 0.00 C ATOM 1247 C ASN A 91 -1.580 9.436 1.852 1.00 0.00 C ATOM 1248 O ASN A 91 -1.248 10.513 2.351 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.646 10.332 -0.223 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.166 10.823 -1.574 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.396 11.779 -1.658 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -2.603 10.166 -2.634 1.00 0.00 N ATOM 0 H ASN A 91 -3.157 7.870 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.732 9.402 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.652 9.923 -0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.709 11.172 0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.302 10.446 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.241 9.379 -2.519 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.839 8.357 2.567 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.735 8.347 4.010 1.00 0.00 C ATOM 1260 C ARG A 92 -0.348 7.894 4.434 1.00 0.00 C ATOM 1261 O ARG A 92 0.036 8.021 5.591 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.781 7.412 4.604 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.199 7.935 4.509 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.093 7.230 5.510 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.811 7.646 6.881 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.681 7.547 7.884 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.918 7.120 7.658 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.321 7.893 9.109 1.00 0.00 N ATOM 0 H ARG A 92 -2.127 7.466 2.163 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.908 9.359 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.725 6.450 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.540 7.233 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.210 9.009 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.582 7.783 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.137 7.439 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.956 6.152 5.422 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.891 8.037 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.205 6.866 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.581 7.046 8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.377 8.236 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.988 7.817 9.877 1.00 0.00 H new ATOM 1279 N ILE A 93 0.405 7.358 3.490 1.00 0.00 N ATOM 1280 CA ILE A 93 1.745 6.881 3.777 1.00 0.00 C ATOM 1281 C ILE A 93 2.755 7.970 3.447 1.00 0.00 C ATOM 1282 O ILE A 93 3.054 8.238 2.282 1.00 0.00 O ATOM 1283 CB ILE A 93 2.056 5.581 2.999 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.899 4.591 3.162 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.350 4.949 3.494 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.547 4.302 4.608 1.00 0.00 C ATOM 0 H ILE A 93 0.112 7.242 2.520 1.00 0.00 H new ATOM 0 HA ILE A 93 1.813 6.645 4.839 1.00 0.00 H new ATOM 0 HB ILE A 93 2.177 5.830 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.019 4.987 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.159 3.656 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.547 4.036 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.174 5.648 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.256 4.710 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.280 3.593 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.413 3.877 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.255 5.228 5.103 1.00 0.00 H new ATOM 1297 N GLN A 94 3.253 8.618 4.488 1.00 0.00 N ATOM 1298 CA GLN A 94 4.201 9.707 4.334 1.00 0.00 C ATOM 1299 C GLN A 94 5.578 9.334 4.864 1.00 0.00 C ATOM 1300 O GLN A 94 5.709 8.502 5.759 1.00 0.00 O ATOM 1301 CB GLN A 94 3.690 10.946 5.076 1.00 0.00 C ATOM 1302 CG GLN A 94 2.961 11.941 4.192 1.00 0.00 C ATOM 1303 CD GLN A 94 3.914 12.774 3.356 1.00 0.00 C ATOM 1304 OE1 GLN A 94 4.255 12.284 2.178 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 4.350 13.846 3.774 1.00 0.00 N flip ATOM 0 H GLN A 94 3.013 8.405 5.456 1.00 0.00 H new ATOM 0 HA GLN A 94 4.294 9.918 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.020 10.627 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.535 11.447 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.277 11.406 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.355 12.600 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.063 14.191 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.999 14.390 3.205 1.00 0.00 H new ATOM 1312 N ASN A 95 6.599 9.950 4.296 1.00 0.00 N ATOM 1313 CA ASN A 95 7.973 9.722 4.715 1.00 0.00 C ATOM 1314 C ASN A 95 8.471 10.918 5.523 1.00 0.00 C ATOM 1315 O ASN A 95 8.398 12.061 5.066 1.00 0.00 O ATOM 1316 CB ASN A 95 8.888 9.485 3.502 1.00 0.00 C ATOM 1317 CG ASN A 95 8.859 10.621 2.486 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.824 11.249 2.254 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.002 10.899 1.878 1.00 0.00 N ATOM 0 H ASN A 95 6.501 10.621 3.534 1.00 0.00 H new ATOM 0 HA ASN A 95 8.000 8.828 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.911 9.346 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.591 8.559 3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.045 11.654 1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.839 10.358 2.095 1.00 0.00 H new ATOM 1325 N VAL A 96 8.969 10.663 6.724 1.00 0.00 N ATOM 1326 CA VAL A 96 9.461 11.730 7.577 1.00 0.00 C ATOM 1327 C VAL A 96 10.953 11.560 7.800 1.00 0.00 C ATOM 1328 O VAL A 96 11.386 10.560 8.352 1.00 0.00 O ATOM 1329 CB VAL A 96 8.740 11.751 8.942 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.189 12.947 9.769 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.228 11.766 8.756 1.00 0.00 C ATOM 0 H VAL A 96 9.042 9.729 7.127 1.00 0.00 H new ATOM 0 HA VAL A 96 9.260 12.676 7.074 1.00 0.00 H new ATOM 0 HB VAL A 96 9.008 10.842 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.669 12.943 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.264 12.888 9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.956 13.868 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.742 11.781 9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.939 12.654 8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.920 10.874 8.210 1.00 0.00 H new ATOM 1341 N ASN A 97 11.734 12.522 7.332 1.00 0.00 N ATOM 1342 CA ASN A 97 13.193 12.489 7.472 1.00 0.00 C ATOM 1343 C ASN A 97 13.783 11.193 6.914 1.00 0.00 C ATOM 1344 O ASN A 97 14.856 10.760 7.334 1.00 0.00 O ATOM 1345 CB ASN A 97 13.613 12.671 8.936 1.00 0.00 C ATOM 1346 CG ASN A 97 13.634 14.126 9.376 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.781 14.948 8.786 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.412 14.508 10.251 1.00 0.00 N flip ATOM 0 H ASN A 97 11.382 13.347 6.846 1.00 0.00 H new ATOM 0 HA ASN A 97 13.588 13.321 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.928 12.114 9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.604 12.240 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.056 13.847 10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.412 15.486 10.542 1.00 0.00 H new ATOM 1354 N GLY A 98 13.077 10.577 5.977 1.00 0.00 N ATOM 1355 CA GLY A 98 13.556 9.356 5.373 1.00 0.00 C ATOM 1356 C GLY A 98 12.774 8.120 5.776 1.00 0.00 C ATOM 1357 O GLY A 98 12.694 7.167 5.008 1.00 0.00 O ATOM 0 H GLY A 98 12.178 10.905 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.518 9.460 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.603 9.215 5.643 1.00 0.00 H new ATOM 1361 N ARG A 99 12.173 8.129 6.960 1.00 0.00 N ATOM 1362 CA ARG A 99 11.427 6.960 7.433 1.00 0.00 C ATOM 1363 C ARG A 99 9.985 6.983 6.946 1.00 0.00 C ATOM 1364 O ARG A 99 9.387 8.043 6.812 1.00 0.00 O ATOM 1365 CB ARG A 99 11.460 6.868 8.962 1.00 0.00 C ATOM 1366 CG ARG A 99 10.699 7.962 9.693 1.00 0.00 C ATOM 1367 CD ARG A 99 11.625 8.776 10.584 1.00 0.00 C ATOM 1368 NE ARG A 99 10.895 9.752 11.392 1.00 0.00 N ATOM 1369 CZ ARG A 99 11.449 10.825 11.951 1.00 0.00 C ATOM 1370 NH1 ARG A 99 12.764 11.014 11.878 1.00 0.00 N ATOM 1371 NH2 ARG A 99 10.691 11.697 12.604 1.00 0.00 N ATOM 0 H ARG A 99 12.184 8.919 7.605 1.00 0.00 H new ATOM 0 HA ARG A 99 11.915 6.078 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.052 5.902 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.500 6.890 9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.217 8.619 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.908 7.517 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.178 8.104 11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.359 9.294 9.966 1.00 0.00 H new ATOM 0 HE ARG A 99 9.897 9.601 11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.351 10.335 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.185 11.838 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.685 11.544 12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.114 12.520 13.033 1.00 0.00 H new ATOM 1382 N LEU A 100 9.433 5.809 6.682 1.00 0.00 N ATOM 1383 CA LEU A 100 8.062 5.707 6.213 1.00 0.00 C ATOM 1384 C LEU A 100 7.129 5.528 7.402 1.00 0.00 C ATOM 1385 O LEU A 100 7.277 4.585 8.181 1.00 0.00 O ATOM 1386 CB LEU A 100 7.918 4.538 5.236 1.00 0.00 C ATOM 1387 CG LEU A 100 7.045 4.829 4.017 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.611 6.000 3.240 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.944 3.605 3.124 1.00 0.00 C ATOM 0 H LEU A 100 9.913 4.915 6.785 1.00 0.00 H new ATOM 0 HA LEU A 100 7.795 6.623 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.910 4.244 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.500 3.685 5.770 1.00 0.00 H new ATOM 0 HG LEU A 100 6.043 5.084 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.982 6.200 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.638 6.882 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.621 5.762 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.318 3.834 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.939 3.320 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.502 2.781 3.685 1.00 0.00 H new ATOM 1400 N VAL A 101 6.181 6.442 7.552 1.00 0.00 N ATOM 1401 CA VAL A 101 5.243 6.396 8.663 1.00 0.00 C ATOM 1402 C VAL A 101 3.807 6.525 8.169 1.00 0.00 C ATOM 1403 O VAL A 101 3.524 7.288 7.242 1.00 0.00 O ATOM 1404 CB VAL A 101 5.524 7.536 9.671 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.661 7.390 10.916 1.00 0.00 C ATOM 1406 CG2 VAL A 101 6.996 7.579 10.047 1.00 0.00 C ATOM 0 H VAL A 101 6.041 7.227 6.916 1.00 0.00 H new ATOM 0 HA VAL A 101 5.374 5.433 9.156 1.00 0.00 H new ATOM 0 HB VAL A 101 5.267 8.478 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.879 8.204 11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.608 7.424 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.877 6.437 11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.167 8.389 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.283 6.631 10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.595 7.748 9.152 1.00 0.00 H new ATOM 1416 N PHE A 102 2.905 5.768 8.779 1.00 0.00 N ATOM 1417 CA PHE A 102 1.500 5.829 8.417 1.00 0.00 C ATOM 1418 C PHE A 102 0.857 7.046 9.059 1.00 0.00 C ATOM 1419 O PHE A 102 1.005 7.281 10.262 1.00 0.00 O ATOM 1420 CB PHE A 102 0.753 4.559 8.837 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.737 4.761 8.926 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.513 4.901 7.783 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.355 4.838 10.162 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.870 5.107 7.878 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.714 5.049 10.261 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.473 5.182 9.117 1.00 0.00 C ATOM 0 H PHE A 102 3.123 5.107 9.525 1.00 0.00 H new ATOM 0 HA PHE A 102 1.435 5.909 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.965 3.765 8.121 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.128 4.225 9.804 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.047 4.848 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.765 4.731 11.060 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.464 5.210 6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.183 5.110 11.232 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.538 5.345 9.191 1.00 0.00 H new ATOM 1435 N GLN A 103 0.147 7.806 8.260 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.513 9.001 8.735 1.00 0.00 C ATOM 1437 C GLN A 103 -2.005 8.957 8.413 1.00 0.00 C ATOM 1438 O GLN A 103 -2.379 9.194 7.249 1.00 0.00 O ATOM 1439 CB GLN A 103 0.163 10.221 8.111 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.293 11.556 8.680 1.00 0.00 C ATOM 1441 CD GLN A 103 0.554 12.725 8.195 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.847 12.496 7.990 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.058 13.837 8.032 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.797 8.670 9.334 1.00 0.00 O ATOM 0 H GLN A 103 0.010 7.616 7.267 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.424 9.066 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.241 10.132 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.025 10.215 7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.333 11.727 8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.256 11.513 9.769 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.938 13.980 8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.642 14.617 7.731 1.00 0.00 H new TER 1451 GLN A 103