USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 42 ALY H2 : A 42 ALY N : A 41 SER C :(H bumps) USER MOD Set 1.1: A 68 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.39) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.045 (180deg=-0.0895) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -0.017 (180deg=-0.165) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 14 ASN : amide:sc= 0.383 K(o=0.38,f=-5.4!) USER MOD Single : A 15 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.015) USER MOD Single : A 17 HIS : no HE2:sc= 0.289 K(o=0.29,f=-6!) USER MOD Single : A 19 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.126 K(o=0.13,f=-3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00417 (180deg=-0.129) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -167:sc= -1.7! USER MOD Single : A 41 SER OG : rot -93:sc= -0.282 USER MOD Single : A 44 MET CE :methyl 172:sc= -0.438 (180deg=-0.557) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0401 (180deg=-0.254) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 48 CYS SG : rot 78:sc= -4.8! USER MOD Single : A 51 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.81) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 135:sc= -0.521 (180deg=-2.99!) USER MOD Single : A 57 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.954 K(o=0.95,f=-0.12) USER MOD Single : A 78 MET CE :methyl 140:sc= -3.19! (180deg=-3.91!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.28) USER MOD Single : A 89 GLN : amide:sc= -1.85! C(o=-1.8!,f=-6.4!) USER MOD Single : A 90 GLN : amide:sc= -0.338! C(o=-0.34!,f=-4.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0296 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.127 10.643 25.053 1.00 0.00 N ATOM 2 CA MET A 1 8.708 9.305 25.534 1.00 0.00 C ATOM 3 C MET A 1 7.214 9.284 25.820 1.00 0.00 C ATOM 4 O MET A 1 6.780 8.787 26.862 1.00 0.00 O ATOM 5 CB MET A 1 9.474 8.929 26.810 1.00 0.00 C ATOM 6 CG MET A 1 10.970 8.781 26.624 1.00 0.00 C ATOM 7 SD MET A 1 11.820 8.345 28.154 1.00 0.00 S ATOM 8 CE MET A 1 13.522 8.374 27.606 1.00 0.00 C ATOM 0 H1 MET A 1 10.135 10.620 24.798 1.00 0.00 H new ATOM 0 H2 MET A 1 8.565 10.903 24.218 1.00 0.00 H new ATOM 0 H3 MET A 1 8.976 11.345 25.805 1.00 0.00 H new ATOM 0 HA MET A 1 8.934 8.580 24.752 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.288 9.690 27.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.074 7.991 27.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.165 8.015 25.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.379 9.715 26.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.177 8.124 28.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.659 7.646 26.806 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.768 9.370 27.237 1.00 0.00 H new ATOM 18 N ALA A 2 6.419 9.793 24.877 1.00 0.00 N ATOM 19 CA ALA A 2 4.973 9.881 25.015 1.00 0.00 C ATOM 20 C ALA A 2 4.401 10.573 23.787 1.00 0.00 C ATOM 21 O ALA A 2 5.141 10.941 22.872 1.00 0.00 O ATOM 22 CB ALA A 2 4.594 10.662 26.270 1.00 0.00 C ATOM 0 H ALA A 2 6.768 10.157 23.991 1.00 0.00 H new ATOM 0 HA ALA A 2 4.563 8.875 25.103 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.508 10.715 26.352 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.000 10.159 27.148 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.002 11.671 26.208 1.00 0.00 H new ATOM 28 N ASP A 3 3.095 10.743 23.746 1.00 0.00 N ATOM 29 CA ASP A 3 2.462 11.451 22.640 1.00 0.00 C ATOM 30 C ASP A 3 1.804 12.720 23.121 1.00 0.00 C ATOM 31 O ASP A 3 1.062 13.374 22.386 1.00 0.00 O ATOM 32 CB ASP A 3 1.459 10.565 21.904 1.00 0.00 C ATOM 33 CG ASP A 3 2.140 9.619 20.947 1.00 0.00 C ATOM 34 OD1 ASP A 3 2.591 10.079 19.871 1.00 0.00 O ATOM 35 OD2 ASP A 3 2.246 8.415 21.264 1.00 0.00 O ATOM 0 H ASP A 3 2.450 10.404 24.460 1.00 0.00 H new ATOM 0 HA ASP A 3 3.246 11.718 21.931 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.880 9.993 22.629 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.755 11.191 21.356 1.00 0.00 H new ATOM 40 N GLU A 4 2.086 13.080 24.366 1.00 0.00 N ATOM 41 CA GLU A 4 1.557 14.293 24.950 1.00 0.00 C ATOM 42 C GLU A 4 2.158 15.509 24.253 1.00 0.00 C ATOM 43 O GLU A 4 3.379 15.632 24.126 1.00 0.00 O ATOM 44 CB GLU A 4 1.845 14.334 26.455 1.00 0.00 C ATOM 45 CG GLU A 4 3.317 14.182 26.807 1.00 0.00 C ATOM 46 CD GLU A 4 3.573 14.280 28.288 1.00 0.00 C ATOM 47 OE1 GLU A 4 3.742 15.414 28.791 1.00 0.00 O ATOM 48 OE2 GLU A 4 3.611 13.237 28.957 1.00 0.00 O ATOM 0 H GLU A 4 2.684 12.540 24.991 1.00 0.00 H new ATOM 0 HA GLU A 4 0.476 14.310 24.812 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.481 15.279 26.859 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.281 13.540 26.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.676 13.219 26.443 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.891 14.952 26.291 1.00 0.00 H new ATOM 55 N LYS A 5 1.299 16.404 23.807 1.00 0.00 N ATOM 56 CA LYS A 5 1.713 17.591 23.073 1.00 0.00 C ATOM 57 C LYS A 5 0.485 18.451 22.743 1.00 0.00 C ATOM 58 O LYS A 5 0.438 19.619 23.116 1.00 0.00 O ATOM 59 CB LYS A 5 2.519 17.212 21.791 1.00 0.00 C ATOM 60 CG LYS A 5 3.223 18.379 21.092 1.00 0.00 C ATOM 61 CD LYS A 5 2.258 19.242 20.288 1.00 0.00 C ATOM 62 CE LYS A 5 2.977 20.382 19.590 1.00 0.00 C ATOM 63 NZ LYS A 5 3.632 21.307 20.551 1.00 0.00 N ATOM 0 H LYS A 5 0.291 16.331 23.942 1.00 0.00 H new ATOM 0 HA LYS A 5 2.383 18.178 23.701 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.267 16.466 22.059 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.840 16.741 21.081 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.724 18.997 21.837 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.996 17.989 20.430 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.748 18.626 19.548 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.492 19.645 20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.727 19.975 18.912 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.265 20.939 18.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.948 22.162 20.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.955 21.572 21.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.453 20.836 20.982 1.00 0.00 H new ATOM 77 N PRO A 6 -0.541 17.893 22.037 1.00 0.00 N ATOM 78 CA PRO A 6 -1.749 18.646 21.721 1.00 0.00 C ATOM 79 C PRO A 6 -2.590 18.908 22.967 1.00 0.00 C ATOM 80 O PRO A 6 -2.596 18.115 23.912 1.00 0.00 O ATOM 81 CB PRO A 6 -2.505 17.730 20.750 1.00 0.00 C ATOM 82 CG PRO A 6 -2.037 16.358 21.091 1.00 0.00 C ATOM 83 CD PRO A 6 -0.601 16.509 21.495 1.00 0.00 C ATOM 0 HA PRO A 6 -1.524 19.628 21.304 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.584 17.824 20.874 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.281 17.980 19.713 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.629 15.932 21.901 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.135 15.687 20.238 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.314 15.771 22.244 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.071 16.380 20.647 1.00 0.00 H new ATOM 91 N LYS A 7 -3.309 20.010 22.968 1.00 0.00 N ATOM 92 CA LYS A 7 -4.153 20.370 24.095 1.00 0.00 C ATOM 93 C LYS A 7 -5.599 20.463 23.643 1.00 0.00 C ATOM 94 O LYS A 7 -6.432 21.092 24.288 1.00 0.00 O ATOM 95 CB LYS A 7 -3.693 21.701 24.704 1.00 0.00 C ATOM 96 CG LYS A 7 -3.709 22.876 23.729 1.00 0.00 C ATOM 97 CD LYS A 7 -3.259 24.170 24.400 1.00 0.00 C ATOM 98 CE LYS A 7 -4.230 24.607 25.490 1.00 0.00 C ATOM 99 NZ LYS A 7 -3.793 25.858 26.157 1.00 0.00 N ATOM 0 H LYS A 7 -3.328 20.678 22.197 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.071 19.599 24.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.334 21.940 25.553 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.682 21.580 25.092 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.056 22.657 22.884 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.715 23.004 23.329 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.267 24.031 24.830 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.174 24.958 23.651 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.219 24.754 25.056 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.322 23.814 26.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.482 26.119 26.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.861 25.711 26.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.730 26.622 25.454 1.00 0.00 H new ATOM 113 N GLU A 8 -5.898 19.806 22.536 1.00 0.00 N ATOM 114 CA GLU A 8 -7.228 19.847 21.950 1.00 0.00 C ATOM 115 C GLU A 8 -8.139 18.804 22.578 1.00 0.00 C ATOM 116 O GLU A 8 -9.343 19.013 22.720 1.00 0.00 O ATOM 117 CB GLU A 8 -7.135 19.611 20.443 1.00 0.00 C ATOM 118 CG GLU A 8 -8.412 19.924 19.686 1.00 0.00 C ATOM 119 CD GLU A 8 -8.771 21.390 19.747 1.00 0.00 C ATOM 120 OE1 GLU A 8 -8.171 22.179 18.993 1.00 0.00 O ATOM 121 OE2 GLU A 8 -9.646 21.765 20.549 1.00 0.00 O ATOM 0 H GLU A 8 -5.231 19.232 22.020 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.655 20.831 22.143 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.327 20.222 20.040 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.866 18.570 20.265 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.297 19.624 18.645 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.230 19.334 20.099 1.00 0.00 H new ATOM 128 N GLY A 9 -7.559 17.699 22.987 1.00 0.00 N ATOM 129 CA GLY A 9 -8.345 16.606 23.522 1.00 0.00 C ATOM 130 C GLY A 9 -9.159 15.934 22.438 1.00 0.00 C ATOM 131 O GLY A 9 -10.394 15.914 22.486 1.00 0.00 O ATOM 0 H GLY A 9 -6.553 17.532 22.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.685 15.876 23.990 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.010 16.980 24.300 1.00 0.00 H new ATOM 135 N VAL A 10 -8.474 15.393 21.442 1.00 0.00 N ATOM 136 CA VAL A 10 -9.123 14.741 20.326 1.00 0.00 C ATOM 137 C VAL A 10 -9.658 13.377 20.750 1.00 0.00 C ATOM 138 O VAL A 10 -9.052 12.682 21.568 1.00 0.00 O ATOM 139 CB VAL A 10 -8.156 14.597 19.119 1.00 0.00 C ATOM 140 CG1 VAL A 10 -6.964 13.718 19.469 1.00 0.00 C ATOM 141 CG2 VAL A 10 -8.886 14.066 17.889 1.00 0.00 C ATOM 0 H VAL A 10 -7.455 15.396 21.389 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.960 15.364 20.009 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.777 15.590 18.879 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.306 13.636 18.604 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.417 14.161 20.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.315 12.726 19.753 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.184 13.976 17.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.311 13.088 18.113 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.685 14.755 17.614 1.00 0.00 H new ATOM 151 N LYS A 11 -10.800 13.007 20.217 1.00 0.00 N ATOM 152 CA LYS A 11 -11.432 11.759 20.571 1.00 0.00 C ATOM 153 C LYS A 11 -10.654 10.548 20.037 1.00 0.00 C ATOM 154 O LYS A 11 -9.986 9.844 20.793 1.00 0.00 O ATOM 155 CB LYS A 11 -12.876 11.745 20.076 1.00 0.00 C ATOM 156 CG LYS A 11 -13.660 10.512 20.501 1.00 0.00 C ATOM 157 CD LYS A 11 -13.690 10.380 22.014 1.00 0.00 C ATOM 158 CE LYS A 11 -14.355 9.095 22.447 1.00 0.00 C ATOM 159 NZ LYS A 11 -14.316 8.926 23.919 1.00 0.00 N ATOM 0 H LYS A 11 -11.313 13.559 19.530 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.431 11.680 21.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.386 12.634 20.447 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.878 11.808 18.988 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.678 10.574 20.118 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.209 9.621 20.064 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.672 10.413 22.403 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.223 11.229 22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.391 9.089 22.107 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.858 8.250 21.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.782 8.033 24.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.327 8.907 24.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.812 9.720 24.373 1.00 0.00 H new ATOM 173 N THR A 12 -10.727 10.306 18.741 1.00 0.00 N ATOM 174 CA THR A 12 -10.051 9.157 18.163 1.00 0.00 C ATOM 175 C THR A 12 -9.327 9.529 16.864 1.00 0.00 C ATOM 176 O THR A 12 -9.395 8.814 15.864 1.00 0.00 O ATOM 177 CB THR A 12 -11.042 8.018 17.891 1.00 0.00 C ATOM 178 OG1 THR A 12 -11.964 7.905 18.992 1.00 0.00 O ATOM 179 CG2 THR A 12 -10.293 6.713 17.737 1.00 0.00 C ATOM 0 H THR A 12 -11.241 10.882 18.074 1.00 0.00 H new ATOM 0 HA THR A 12 -9.311 8.820 18.889 1.00 0.00 H new ATOM 0 HB THR A 12 -11.589 8.235 16.974 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.597 7.178 18.815 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.001 5.907 17.544 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.595 6.790 16.903 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.742 6.500 18.653 1.00 0.00 H new ATOM 187 N GLU A 13 -8.658 10.671 16.886 1.00 0.00 N ATOM 188 CA GLU A 13 -7.870 11.157 15.736 1.00 0.00 C ATOM 189 C GLU A 13 -8.782 11.477 14.563 1.00 0.00 C ATOM 190 O GLU A 13 -8.391 11.374 13.396 1.00 0.00 O ATOM 191 CB GLU A 13 -6.831 10.119 15.317 1.00 0.00 C ATOM 192 CG GLU A 13 -5.783 9.824 16.373 1.00 0.00 C ATOM 193 CD GLU A 13 -4.923 11.023 16.689 1.00 0.00 C ATOM 194 OE1 GLU A 13 -3.910 11.237 15.989 1.00 0.00 O ATOM 195 OE2 GLU A 13 -5.236 11.745 17.652 1.00 0.00 O ATOM 0 H GLU A 13 -8.638 11.294 17.693 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.353 12.067 16.041 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.344 9.192 15.061 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.331 10.467 14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.276 9.485 17.284 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.148 9.006 16.031 1.00 0.00 H new ATOM 202 N ASN A 14 -10.001 11.871 14.877 1.00 0.00 N ATOM 203 CA ASN A 14 -10.996 12.198 13.884 1.00 0.00 C ATOM 204 C ASN A 14 -10.554 13.398 13.072 1.00 0.00 C ATOM 205 O ASN A 14 -10.081 14.394 13.630 1.00 0.00 O ATOM 206 CB ASN A 14 -12.325 12.514 14.572 1.00 0.00 C ATOM 207 CG ASN A 14 -12.750 11.440 15.554 1.00 0.00 C ATOM 208 OD1 ASN A 14 -12.348 11.459 16.724 1.00 0.00 O ATOM 209 ND2 ASN A 14 -13.561 10.511 15.102 1.00 0.00 N ATOM 0 H ASN A 14 -10.328 11.973 15.838 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.120 11.344 13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.240 13.466 15.096 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.100 12.635 13.816 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.883 9.769 15.723 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.869 10.532 14.130 1.00 0.00 H new ATOM 216 N ASN A 15 -10.721 13.314 11.752 1.00 0.00 N ATOM 217 CA ASN A 15 -10.360 14.399 10.834 1.00 0.00 C ATOM 218 C ASN A 15 -8.860 14.619 10.856 1.00 0.00 C ATOM 219 O ASN A 15 -8.364 15.697 11.214 1.00 0.00 O ATOM 220 CB ASN A 15 -11.106 15.706 11.181 1.00 0.00 C ATOM 221 CG ASN A 15 -12.586 15.480 11.422 1.00 0.00 C ATOM 222 OD1 ASN A 15 -13.391 15.493 10.491 1.00 0.00 O ATOM 223 ND2 ASN A 15 -12.951 15.281 12.677 1.00 0.00 N ATOM 0 H ASN A 15 -11.110 12.493 11.288 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.662 14.107 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.660 16.151 12.070 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.978 16.421 10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.934 15.130 12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.250 15.278 13.418 1.00 0.00 H new ATOM 230 N ASP A 16 -8.133 13.592 10.469 1.00 0.00 N ATOM 231 CA ASP A 16 -6.681 13.625 10.475 1.00 0.00 C ATOM 232 C ASP A 16 -6.137 12.674 9.430 1.00 0.00 C ATOM 233 O ASP A 16 -5.433 13.071 8.501 1.00 0.00 O ATOM 234 CB ASP A 16 -6.159 13.230 11.853 1.00 0.00 C ATOM 235 CG ASP A 16 -4.656 13.342 11.972 1.00 0.00 C ATOM 236 OD1 ASP A 16 -4.161 14.463 12.223 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.969 12.308 11.843 1.00 0.00 O ATOM 0 H ASP A 16 -8.529 12.711 10.141 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.349 14.637 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.625 13.864 12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.459 12.205 12.069 1.00 0.00 H new ATOM 242 N HIS A 17 -6.476 11.408 9.572 1.00 0.00 N ATOM 243 CA HIS A 17 -6.033 10.393 8.647 1.00 0.00 C ATOM 244 C HIS A 17 -7.138 9.378 8.403 1.00 0.00 C ATOM 245 O HIS A 17 -8.028 9.206 9.233 1.00 0.00 O ATOM 246 CB HIS A 17 -4.737 9.722 9.138 1.00 0.00 C ATOM 247 CG HIS A 17 -4.809 9.085 10.496 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.634 9.782 11.668 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.008 7.800 10.855 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.724 8.955 12.687 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.949 7.742 12.225 1.00 0.00 N ATOM 0 H HIS A 17 -7.064 11.059 10.329 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.804 10.870 7.694 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.447 8.960 8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.944 10.470 9.149 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.461 10.785 11.737 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.182 6.969 10.187 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.629 9.225 13.728 1.00 0.00 H new ATOM 260 N ILE A 18 -7.079 8.702 7.273 1.00 0.00 N ATOM 261 CA ILE A 18 -8.125 7.783 6.877 1.00 0.00 C ATOM 262 C ILE A 18 -7.686 6.333 6.982 1.00 0.00 C ATOM 263 O ILE A 18 -6.513 6.030 7.210 1.00 0.00 O ATOM 264 CB ILE A 18 -8.623 8.060 5.440 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.483 7.922 4.420 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.238 9.442 5.362 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.947 7.979 2.979 1.00 0.00 C ATOM 0 H ILE A 18 -6.309 8.774 6.608 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.945 7.950 7.575 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.382 7.318 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.756 8.716 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.968 6.977 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.586 9.629 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.080 9.505 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.491 10.188 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.088 7.875 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.651 7.168 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.436 8.935 2.792 1.00 0.00 H new ATOM 279 N ASN A 19 -8.640 5.441 6.840 1.00 0.00 N ATOM 280 CA ASN A 19 -8.385 4.015 6.900 1.00 0.00 C ATOM 281 C ASN A 19 -8.248 3.467 5.494 1.00 0.00 C ATOM 282 O ASN A 19 -8.935 3.911 4.588 1.00 0.00 O ATOM 283 CB ASN A 19 -9.543 3.293 7.603 1.00 0.00 C ATOM 284 CG ASN A 19 -9.927 3.925 8.925 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.374 3.590 9.968 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.894 4.831 8.891 1.00 0.00 N ATOM 0 H ASN A 19 -9.618 5.682 6.679 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.465 3.849 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.412 3.287 6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.264 2.253 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.204 5.278 9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.328 5.081 8.002 1.00 0.00 H new ATOM 293 N LEU A 20 -7.356 2.534 5.302 1.00 0.00 N ATOM 294 CA LEU A 20 -7.187 1.892 4.009 1.00 0.00 C ATOM 295 C LEU A 20 -7.109 0.392 4.159 1.00 0.00 C ATOM 296 O LEU A 20 -6.909 -0.134 5.256 1.00 0.00 O ATOM 297 CB LEU A 20 -5.939 2.406 3.281 1.00 0.00 C ATOM 298 CG LEU A 20 -6.169 3.499 2.229 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.282 3.103 1.271 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.470 4.829 2.881 1.00 0.00 C ATOM 0 H LEU A 20 -6.725 2.193 6.027 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.061 2.145 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.242 2.789 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.453 1.560 2.795 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.249 3.608 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.427 3.893 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.012 2.178 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.206 2.954 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.628 5.584 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.368 4.740 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.631 5.124 3.511 1.00 0.00 H new ATOM 312 N LYS A 21 -7.286 -0.301 3.059 1.00 0.00 N ATOM 313 CA LYS A 21 -7.220 -1.740 3.026 1.00 0.00 C ATOM 314 C LYS A 21 -6.480 -2.184 1.793 1.00 0.00 C ATOM 315 O LYS A 21 -6.528 -1.527 0.762 1.00 0.00 O ATOM 316 CB LYS A 21 -8.622 -2.331 3.011 1.00 0.00 C ATOM 317 CG LYS A 21 -9.414 -2.036 4.256 1.00 0.00 C ATOM 318 CD LYS A 21 -10.891 -2.349 4.082 1.00 0.00 C ATOM 319 CE LYS A 21 -11.144 -3.836 3.927 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.590 -4.138 3.761 1.00 0.00 N ATOM 0 H LYS A 21 -7.482 0.124 2.153 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.695 -2.088 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.161 -1.943 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.550 -3.411 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.015 -2.620 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.295 -0.985 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.444 -1.975 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.272 -1.824 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.594 -4.210 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.761 -4.362 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.721 -5.165 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.112 -3.804 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.950 -3.657 2.912 1.00 0.00 H new ATOM 334 N VAL A 22 -5.797 -3.287 1.888 1.00 0.00 N ATOM 335 CA VAL A 22 -5.079 -3.823 0.748 1.00 0.00 C ATOM 336 C VAL A 22 -5.447 -5.266 0.524 1.00 0.00 C ATOM 337 O VAL A 22 -5.217 -6.124 1.383 1.00 0.00 O ATOM 338 CB VAL A 22 -3.542 -3.703 0.890 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.858 -4.375 -0.276 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.118 -2.251 0.967 1.00 0.00 C ATOM 0 H VAL A 22 -5.716 -3.841 2.741 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.377 -3.221 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.247 -4.199 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.777 -4.284 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.133 -5.429 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.169 -3.897 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.034 -2.193 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.427 -1.733 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.587 -1.780 1.831 1.00 0.00 H new ATOM 350 N ALA A 23 -6.033 -5.534 -0.616 1.00 0.00 N ATOM 351 CA ALA A 23 -6.414 -6.867 -0.981 1.00 0.00 C ATOM 352 C ALA A 23 -5.299 -7.506 -1.764 1.00 0.00 C ATOM 353 O ALA A 23 -4.882 -7.001 -2.807 1.00 0.00 O ATOM 354 CB ALA A 23 -7.696 -6.863 -1.790 1.00 0.00 C ATOM 0 H ALA A 23 -6.258 -4.828 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.597 -7.443 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.963 -7.886 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.498 -6.420 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.551 -6.280 -2.699 1.00 0.00 H new ATOM 360 N GLY A 24 -4.834 -8.619 -1.288 1.00 0.00 N ATOM 361 CA GLY A 24 -3.747 -9.278 -1.919 1.00 0.00 C ATOM 362 C GLY A 24 -4.235 -10.290 -2.903 1.00 0.00 C ATOM 363 O GLY A 24 -5.398 -10.702 -2.859 1.00 0.00 O ATOM 0 H GLY A 24 -5.197 -9.088 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.118 -8.546 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.126 -9.766 -1.167 1.00 0.00 H new ATOM 367 N GLN A 25 -3.363 -10.712 -3.783 1.00 0.00 N ATOM 368 CA GLN A 25 -3.699 -11.703 -4.792 1.00 0.00 C ATOM 369 C GLN A 25 -4.094 -13.048 -4.159 1.00 0.00 C ATOM 370 O GLN A 25 -4.740 -13.878 -4.788 1.00 0.00 O ATOM 371 CB GLN A 25 -2.553 -11.873 -5.808 1.00 0.00 C ATOM 372 CG GLN A 25 -1.128 -11.787 -5.230 1.00 0.00 C ATOM 373 CD GLN A 25 -0.932 -12.595 -3.964 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.038 -12.063 -2.854 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.694 -13.874 -4.110 1.00 0.00 N ATOM 0 H GLN A 25 -2.399 -10.383 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.570 -11.335 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.668 -12.839 -6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.659 -11.109 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.419 -12.131 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.892 -10.743 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.614 -14.274 -5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.589 -14.470 -3.289 1.00 0.00 H new ATOM 384 N ASP A 26 -3.702 -13.248 -2.902 1.00 0.00 N ATOM 385 CA ASP A 26 -4.048 -14.464 -2.158 1.00 0.00 C ATOM 386 C ASP A 26 -5.500 -14.427 -1.697 1.00 0.00 C ATOM 387 O ASP A 26 -6.015 -15.391 -1.128 1.00 0.00 O ATOM 388 CB ASP A 26 -3.131 -14.637 -0.944 1.00 0.00 C ATOM 389 CG ASP A 26 -1.955 -15.567 -1.209 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.112 -16.787 -1.035 1.00 0.00 O ATOM 391 OD2 ASP A 26 -0.864 -15.077 -1.579 1.00 0.00 O ATOM 0 H ASP A 26 -3.141 -12.581 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.913 -15.311 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.753 -13.661 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.713 -15.027 -0.109 1.00 0.00 H new ATOM 396 N GLY A 27 -6.156 -13.297 -1.916 1.00 0.00 N ATOM 397 CA GLY A 27 -7.553 -13.157 -1.551 1.00 0.00 C ATOM 398 C GLY A 27 -7.743 -12.660 -0.134 1.00 0.00 C ATOM 399 O GLY A 27 -8.843 -12.710 0.417 1.00 0.00 O ATOM 0 H GLY A 27 -5.743 -12.468 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.036 -12.466 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.051 -14.120 -1.663 1.00 0.00 H new ATOM 403 N SER A 28 -6.671 -12.196 0.468 1.00 0.00 N ATOM 404 CA SER A 28 -6.717 -11.689 1.812 1.00 0.00 C ATOM 405 C SER A 28 -6.673 -10.190 1.784 1.00 0.00 C ATOM 406 O SER A 28 -6.230 -9.593 0.807 1.00 0.00 O ATOM 407 CB SER A 28 -5.542 -12.232 2.627 1.00 0.00 C ATOM 408 OG SER A 28 -5.713 -11.981 4.014 1.00 0.00 O ATOM 0 H SER A 28 -5.747 -12.161 0.037 1.00 0.00 H new ATOM 0 HA SER A 28 -7.644 -12.015 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.446 -13.305 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.616 -11.771 2.284 1.00 0.00 H new ATOM 0 HG SER A 28 -4.947 -12.341 4.508 1.00 0.00 H new ATOM 414 N VAL A 29 -7.130 -9.575 2.831 1.00 0.00 N ATOM 415 CA VAL A 29 -7.126 -8.140 2.893 1.00 0.00 C ATOM 416 C VAL A 29 -6.690 -7.650 4.266 1.00 0.00 C ATOM 417 O VAL A 29 -7.095 -8.191 5.296 1.00 0.00 O ATOM 418 CB VAL A 29 -8.513 -7.544 2.525 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.551 -7.837 3.604 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.410 -6.050 2.272 1.00 0.00 C ATOM 0 H VAL A 29 -7.511 -10.040 3.655 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.404 -7.792 2.155 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.844 -8.027 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.509 -7.406 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.659 -8.915 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.227 -7.400 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.393 -5.656 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.042 -5.553 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.720 -5.867 1.448 1.00 0.00 H new ATOM 430 N VAL A 30 -5.838 -6.653 4.289 1.00 0.00 N ATOM 431 CA VAL A 30 -5.381 -6.075 5.533 1.00 0.00 C ATOM 432 C VAL A 30 -6.026 -4.708 5.748 1.00 0.00 C ATOM 433 O VAL A 30 -6.233 -3.953 4.795 1.00 0.00 O ATOM 434 CB VAL A 30 -3.835 -5.936 5.551 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.352 -5.011 4.445 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.344 -5.458 6.910 1.00 0.00 C ATOM 0 H VAL A 30 -5.444 -6.221 3.453 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.675 -6.744 6.342 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.413 -6.924 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.265 -4.934 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.653 -5.413 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.791 -4.022 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.258 -5.370 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.784 -4.486 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.638 -6.175 7.676 1.00 0.00 H new ATOM 446 N GLN A 31 -6.375 -4.405 6.983 1.00 0.00 N ATOM 447 CA GLN A 31 -6.977 -3.136 7.321 1.00 0.00 C ATOM 448 C GLN A 31 -6.016 -2.314 8.168 1.00 0.00 C ATOM 449 O GLN A 31 -5.465 -2.796 9.157 1.00 0.00 O ATOM 450 CB GLN A 31 -8.276 -3.372 8.047 1.00 0.00 C ATOM 451 CG GLN A 31 -9.109 -4.455 7.386 1.00 0.00 C ATOM 452 CD GLN A 31 -10.454 -4.623 8.005 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.637 -5.415 8.930 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.408 -3.888 7.506 1.00 0.00 N ATOM 0 H GLN A 31 -6.248 -5.032 7.777 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.188 -2.576 6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.068 -3.654 9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.847 -2.444 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.230 -4.217 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.571 -5.401 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.209 -3.245 6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.354 -3.955 7.882 1.00 0.00 H new ATOM 463 N PHE A 32 -5.814 -1.079 7.770 1.00 0.00 N ATOM 464 CA PHE A 32 -4.836 -0.208 8.413 1.00 0.00 C ATOM 465 C PHE A 32 -5.199 1.261 8.246 1.00 0.00 C ATOM 466 O PHE A 32 -6.107 1.610 7.503 1.00 0.00 O ATOM 467 CB PHE A 32 -3.436 -0.470 7.845 1.00 0.00 C ATOM 468 CG PHE A 32 -3.365 -0.347 6.347 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.910 -1.328 5.534 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.775 0.753 5.754 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.867 -1.213 4.169 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.732 0.872 4.392 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.278 -0.110 3.596 1.00 0.00 C ATOM 0 H PHE A 32 -6.316 -0.644 6.996 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.841 -0.436 9.479 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.733 0.232 8.293 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.116 -1.471 8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.375 -2.194 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.344 1.526 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.294 -1.985 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.269 1.737 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.244 -0.014 2.521 1.00 0.00 H new ATOM 483 N LYS A 33 -4.496 2.119 8.961 1.00 0.00 N ATOM 484 CA LYS A 33 -4.743 3.544 8.899 1.00 0.00 C ATOM 485 C LYS A 33 -3.531 4.277 8.321 1.00 0.00 C ATOM 486 O LYS A 33 -2.386 3.894 8.565 1.00 0.00 O ATOM 487 CB LYS A 33 -5.098 4.083 10.286 1.00 0.00 C ATOM 488 CG LYS A 33 -6.196 3.284 10.977 1.00 0.00 C ATOM 489 CD LYS A 33 -6.840 4.065 12.119 1.00 0.00 C ATOM 490 CE LYS A 33 -5.865 4.327 13.253 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.420 3.072 13.915 1.00 0.00 N ATOM 0 H LYS A 33 -3.744 1.849 9.595 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.590 3.721 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.205 4.077 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.416 5.122 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.960 3.012 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.779 2.354 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.218 5.014 11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.697 3.509 12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.996 4.859 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.335 4.977 13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.909 3.304 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.249 2.487 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.790 2.547 13.276 1.00 0.00 H new ATOM 505 N ILE A 34 -3.781 5.317 7.534 1.00 0.00 N ATOM 506 CA ILE A 34 -2.710 6.094 6.917 1.00 0.00 C ATOM 507 C ILE A 34 -3.141 7.558 6.746 1.00 0.00 C ATOM 508 O ILE A 34 -4.328 7.861 6.567 1.00 0.00 O ATOM 509 CB ILE A 34 -2.291 5.494 5.541 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.151 6.306 4.909 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.482 5.418 4.600 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.627 5.729 3.611 1.00 0.00 C ATOM 0 H ILE A 34 -4.720 5.644 7.307 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.846 6.052 7.580 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.927 4.481 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.501 7.322 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.329 6.374 5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.166 4.996 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.253 4.785 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.883 6.419 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.175 6.361 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.245 4.724 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.434 5.687 2.880 1.00 0.00 H new ATOM 524 N LYS A 35 -2.185 8.472 6.826 1.00 0.00 N ATOM 525 CA LYS A 35 -2.476 9.889 6.692 1.00 0.00 C ATOM 526 C LYS A 35 -2.521 10.291 5.239 1.00 0.00 C ATOM 527 O LYS A 35 -1.941 9.632 4.383 1.00 0.00 O ATOM 528 CB LYS A 35 -1.447 10.728 7.440 1.00 0.00 C ATOM 529 CG LYS A 35 -1.128 10.185 8.815 1.00 0.00 C ATOM 530 CD LYS A 35 -0.571 11.256 9.745 1.00 0.00 C ATOM 531 CE LYS A 35 0.720 11.850 9.208 1.00 0.00 C ATOM 532 NZ LYS A 35 1.385 12.715 10.208 1.00 0.00 N ATOM 0 H LYS A 35 -1.201 8.256 6.983 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.456 10.072 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.530 10.776 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.819 11.748 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.031 9.760 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.405 9.374 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.310 12.047 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.391 10.825 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.396 11.046 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.507 12.430 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.262 13.101 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.750 13.496 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.611 12.156 11.055 1.00 0.00 H new ATOM 546 N ARG A 36 -3.193 11.388 4.963 1.00 0.00 N ATOM 547 CA ARG A 36 -3.356 11.867 3.601 1.00 0.00 C ATOM 548 C ARG A 36 -2.027 12.363 3.047 1.00 0.00 C ATOM 549 O ARG A 36 -1.735 12.213 1.866 1.00 0.00 O ATOM 550 CB ARG A 36 -4.397 12.996 3.544 1.00 0.00 C ATOM 551 CG ARG A 36 -5.644 12.754 4.393 1.00 0.00 C ATOM 552 CD ARG A 36 -6.272 11.392 4.125 1.00 0.00 C ATOM 553 NE ARG A 36 -6.649 11.209 2.720 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.891 11.391 2.239 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.857 11.823 3.039 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.154 11.147 0.957 1.00 0.00 N ATOM 0 H ARG A 36 -3.640 11.972 5.669 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.706 11.035 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.926 13.924 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.701 13.140 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.382 12.829 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.376 13.535 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.570 10.610 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.156 11.274 4.752 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.921 10.925 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.658 12.017 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.799 11.961 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.412 10.821 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.097 11.286 0.594 1.00 0.00 H new ATOM 570 N HIS A 37 -1.209 12.937 3.917 1.00 0.00 N ATOM 571 CA HIS A 37 0.090 13.480 3.518 1.00 0.00 C ATOM 572 C HIS A 37 1.194 12.447 3.711 1.00 0.00 C ATOM 573 O HIS A 37 2.376 12.729 3.513 1.00 0.00 O ATOM 574 CB HIS A 37 0.411 14.739 4.325 1.00 0.00 C ATOM 575 CG HIS A 37 -0.557 15.864 4.108 1.00 0.00 C ATOM 576 ND1 HIS A 37 -1.284 16.439 5.126 1.00 0.00 N ATOM 577 CD2 HIS A 37 -0.906 16.526 2.982 1.00 0.00 C ATOM 578 CE1 HIS A 37 -2.039 17.403 4.638 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.828 17.478 3.339 1.00 0.00 N ATOM 0 H HIS A 37 -1.419 13.041 4.910 1.00 0.00 H new ATOM 0 HA HIS A 37 0.037 13.738 2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.426 14.485 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.413 15.080 4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.529 16.340 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.715 18.025 5.206 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.277 18.137 2.703 1.00 0.00 H new ATOM 588 N THR A 38 0.805 11.252 4.085 1.00 0.00 N ATOM 589 CA THR A 38 1.744 10.186 4.326 1.00 0.00 C ATOM 590 C THR A 38 1.934 9.335 3.068 1.00 0.00 C ATOM 591 O THR A 38 0.963 8.932 2.434 1.00 0.00 O ATOM 592 CB THR A 38 1.287 9.309 5.519 1.00 0.00 C ATOM 593 OG1 THR A 38 1.484 10.029 6.741 1.00 0.00 O ATOM 594 CG2 THR A 38 2.057 8.004 5.571 1.00 0.00 C ATOM 0 H THR A 38 -0.171 10.992 4.230 1.00 0.00 H new ATOM 0 HA THR A 38 2.705 10.632 4.582 1.00 0.00 H new ATOM 0 HB THR A 38 0.231 9.075 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.394 9.416 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.713 7.412 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.892 7.447 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.121 8.213 5.683 1.00 0.00 H new ATOM 602 N PRO A 39 3.198 9.070 2.689 1.00 0.00 N ATOM 603 CA PRO A 39 3.524 8.292 1.489 1.00 0.00 C ATOM 604 C PRO A 39 3.030 6.851 1.567 1.00 0.00 C ATOM 605 O PRO A 39 2.957 6.252 2.651 1.00 0.00 O ATOM 606 CB PRO A 39 5.056 8.319 1.441 1.00 0.00 C ATOM 607 CG PRO A 39 5.475 8.616 2.837 1.00 0.00 C ATOM 608 CD PRO A 39 4.412 9.506 3.404 1.00 0.00 C ATOM 0 HA PRO A 39 3.045 8.711 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.458 7.364 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.417 9.080 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.569 7.700 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.448 9.108 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.313 9.380 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.629 10.559 3.225 1.00 0.00 H new ATOM 616 N LEU A 40 2.706 6.286 0.412 1.00 0.00 N ATOM 617 CA LEU A 40 2.237 4.913 0.308 1.00 0.00 C ATOM 618 C LEU A 40 3.314 3.911 0.715 1.00 0.00 C ATOM 619 O LEU A 40 3.031 2.728 0.871 1.00 0.00 O ATOM 620 CB LEU A 40 1.738 4.623 -1.110 1.00 0.00 C ATOM 621 CG LEU A 40 0.430 5.307 -1.498 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.186 5.190 -2.987 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.733 4.720 -0.728 1.00 0.00 C ATOM 0 H LEU A 40 2.762 6.771 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 40 1.406 4.797 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.510 4.926 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.611 3.546 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 40 0.514 6.363 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.751 5.684 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.005 5.664 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.129 4.138 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.654 5.223 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.815 3.656 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.569 4.858 0.341 1.00 0.00 H new ATOM 635 N SER A 41 4.560 4.380 0.855 1.00 0.00 N ATOM 636 CA SER A 41 5.665 3.527 1.295 1.00 0.00 C ATOM 637 C SER A 41 5.287 2.743 2.559 1.00 0.00 C ATOM 638 O SER A 41 5.522 1.535 2.650 1.00 0.00 O ATOM 639 CB SER A 41 6.923 4.367 1.562 1.00 0.00 C ATOM 640 OG SER A 41 7.336 5.072 0.400 1.00 0.00 O ATOM 0 H SER A 41 4.826 5.347 0.669 1.00 0.00 H new ATOM 0 HA SER A 41 5.874 2.817 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.725 5.075 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.730 3.717 1.901 1.00 0.00 H new ATOM 0 HG SER A 41 7.997 4.539 -0.089 1.00 0.00 H new HETATM 646 OH ALY A 42 1.061 2.743 10.429 1.00 0.00 O HETATM 647 CH ALY A 42 0.501 2.232 9.456 1.00 0.00 C HETATM 648 CH3 ALY A 42 -0.205 0.910 9.561 1.00 0.00 C HETATM 649 NZ ALY A 42 0.462 2.822 8.274 1.00 0.00 N HETATM 650 CE ALY A 42 1.534 3.656 7.747 1.00 0.00 C HETATM 651 CD ALY A 42 1.425 3.834 6.239 1.00 0.00 C HETATM 652 CG ALY A 42 2.629 4.585 5.660 1.00 0.00 C HETATM 653 CB ALY A 42 3.942 3.825 5.858 1.00 0.00 C HETATM 654 CA ALY A 42 4.274 2.780 4.771 1.00 0.00 C HETATM 655 N ALY A 42 4.672 3.427 3.532 1.00 0.00 N HETATM 656 C ALY A 42 3.104 1.835 4.531 1.00 0.00 C HETATM 657 O ALY A 42 3.021 0.775 5.128 1.00 0.00 O HETATM 0 HH33 ALY A 42 0.504 0.142 9.870 1.00 0.00 H new HETATM 0 HH32 ALY A 42 -1.005 0.982 10.298 1.00 0.00 H new HETATM 0 HH31 ALY A 42 -0.627 0.645 8.592 1.00 0.00 H new HETATM 0 HZ ALY A 42 -0.368 2.685 7.697 1.00 0.00 H new HETATM 0 HG3 ALY A 42 2.704 5.564 6.133 1.00 0.00 H new HETATM 0 HG2 ALY A 42 2.469 4.757 4.596 1.00 0.00 H new HETATM 0 HE3 ALY A 42 2.497 3.207 7.991 1.00 0.00 H new HETATM 0 HE2 ALY A 42 1.506 4.632 8.231 1.00 0.00 H new HETATM 0 HD3 ALY A 42 0.511 4.379 6.004 1.00 0.00 H new HETATM 0 HD2 ALY A 42 1.345 2.856 5.764 1.00 0.00 H new HETATM 0 HCA ALY A 42 5.113 2.187 5.133 1.00 0.00 H new HETATM 0 HB3 ALY A 42 3.908 3.321 6.824 1.00 0.00 H new HETATM 0 HB2 ALY A 42 4.757 4.548 5.904 1.00 0.00 H new HETATM 0 H ALY A 42 4.701 4.445 3.475 1.00 0.00 H new ATOM 672 N LEU A 43 2.197 2.232 3.641 1.00 0.00 N ATOM 673 CA LEU A 43 1.044 1.413 3.295 1.00 0.00 C ATOM 674 C LEU A 43 1.509 0.099 2.692 1.00 0.00 C ATOM 675 O LEU A 43 1.060 -0.984 3.084 1.00 0.00 O ATOM 676 CB LEU A 43 0.120 2.182 2.319 1.00 0.00 C ATOM 677 CG LEU A 43 -0.972 1.366 1.608 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.157 2.246 1.265 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.428 0.742 0.333 1.00 0.00 C ATOM 0 H LEU A 43 2.242 3.122 3.145 1.00 0.00 H new ATOM 0 HA LEU A 43 0.472 1.192 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.364 2.987 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.744 2.649 1.558 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.294 0.576 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.919 1.650 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.572 2.670 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.833 3.052 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.215 0.169 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.082 1.528 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.404 0.081 0.577 1.00 0.00 H new ATOM 691 N MET A 44 2.423 0.199 1.741 1.00 0.00 N ATOM 692 CA MET A 44 2.983 -0.960 1.093 1.00 0.00 C ATOM 693 C MET A 44 3.700 -1.827 2.097 1.00 0.00 C ATOM 694 O MET A 44 3.462 -3.028 2.175 1.00 0.00 O ATOM 695 CB MET A 44 3.938 -0.537 -0.023 1.00 0.00 C ATOM 696 CG MET A 44 3.248 -0.195 -1.329 1.00 0.00 C ATOM 697 SD MET A 44 4.326 0.645 -2.491 1.00 0.00 S ATOM 698 CE MET A 44 3.197 0.922 -3.849 1.00 0.00 C ATOM 0 H MET A 44 2.793 1.087 1.402 1.00 0.00 H new ATOM 0 HA MET A 44 2.170 -1.538 0.653 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.510 0.328 0.311 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.652 -1.342 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.873 -1.111 -1.786 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.383 0.436 -1.123 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.673 1.559 -4.594 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.934 -0.033 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.295 1.409 -3.479 1.00 0.00 H new ATOM 708 N LYS A 45 4.563 -1.211 2.893 1.00 0.00 N ATOM 709 CA LYS A 45 5.324 -1.928 3.898 1.00 0.00 C ATOM 710 C LYS A 45 4.396 -2.617 4.898 1.00 0.00 C ATOM 711 O LYS A 45 4.581 -3.779 5.215 1.00 0.00 O ATOM 712 CB LYS A 45 6.297 -0.977 4.615 1.00 0.00 C ATOM 713 CG LYS A 45 7.161 -1.638 5.690 1.00 0.00 C ATOM 714 CD LYS A 45 8.001 -2.782 5.135 1.00 0.00 C ATOM 715 CE LYS A 45 9.089 -2.288 4.190 1.00 0.00 C ATOM 716 NZ LYS A 45 10.066 -1.392 4.868 1.00 0.00 N ATOM 0 H LYS A 45 4.752 -0.209 2.859 1.00 0.00 H new ATOM 0 HA LYS A 45 5.907 -2.701 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.951 -0.521 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.724 -0.171 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.818 -0.891 6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.520 -2.014 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.458 -3.329 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.354 -3.483 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.617 -3.144 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.629 -1.756 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.912 -1.287 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.633 -0.459 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.337 -1.803 5.784 1.00 0.00 H new ATOM 730 N ALA A 46 3.365 -1.904 5.350 1.00 0.00 N ATOM 731 CA ALA A 46 2.411 -2.447 6.320 1.00 0.00 C ATOM 732 C ALA A 46 1.808 -3.751 5.813 1.00 0.00 C ATOM 733 O ALA A 46 1.811 -4.773 6.514 1.00 0.00 O ATOM 734 CB ALA A 46 1.312 -1.437 6.615 1.00 0.00 C ATOM 0 H ALA A 46 3.168 -0.946 5.060 1.00 0.00 H new ATOM 0 HA ALA A 46 2.950 -2.653 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.614 -1.860 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.753 -0.529 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.781 -1.198 5.694 1.00 0.00 H new ATOM 740 N TYR A 47 1.305 -3.730 4.584 1.00 0.00 N ATOM 741 CA TYR A 47 0.729 -4.920 3.980 1.00 0.00 C ATOM 742 C TYR A 47 1.783 -6.015 3.826 1.00 0.00 C ATOM 743 O TYR A 47 1.519 -7.200 4.077 1.00 0.00 O ATOM 744 CB TYR A 47 0.115 -4.592 2.611 1.00 0.00 C ATOM 745 CG TYR A 47 -0.171 -5.821 1.767 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.337 -6.551 1.940 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.736 -6.253 0.807 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.593 -7.675 1.182 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.486 -7.374 0.044 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.680 -8.083 0.235 1.00 0.00 C ATOM 751 OH TYR A 47 -0.930 -9.206 -0.521 1.00 0.00 O ATOM 0 H TYR A 47 1.286 -2.902 3.989 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.058 -5.282 4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.813 -4.039 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.793 -3.936 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.057 -6.235 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.652 -5.701 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.506 -8.233 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.201 -7.695 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.187 -9.354 -1.142 1.00 0.00 H new ATOM 761 N CYS A 48 2.976 -5.616 3.424 1.00 0.00 N ATOM 762 CA CYS A 48 4.058 -6.562 3.195 1.00 0.00 C ATOM 763 C CYS A 48 4.487 -7.237 4.487 1.00 0.00 C ATOM 764 O CYS A 48 4.834 -8.407 4.499 1.00 0.00 O ATOM 765 CB CYS A 48 5.239 -5.877 2.518 1.00 0.00 C ATOM 766 SG CYS A 48 4.838 -5.173 0.912 1.00 0.00 S ATOM 0 H CYS A 48 3.222 -4.642 3.249 1.00 0.00 H new ATOM 0 HA CYS A 48 3.686 -7.339 2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.612 -5.086 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.047 -6.599 2.398 1.00 0.00 H new ATOM 0 HG CYS A 48 4.203 -4.050 1.077 1.00 0.00 H new ATOM 772 N GLU A 49 4.434 -6.504 5.578 1.00 0.00 N ATOM 773 CA GLU A 49 4.798 -7.032 6.883 1.00 0.00 C ATOM 774 C GLU A 49 3.785 -8.065 7.355 1.00 0.00 C ATOM 775 O GLU A 49 4.138 -9.068 7.972 1.00 0.00 O ATOM 776 CB GLU A 49 4.886 -5.900 7.890 1.00 0.00 C ATOM 777 CG GLU A 49 5.936 -4.877 7.538 1.00 0.00 C ATOM 778 CD GLU A 49 7.336 -5.410 7.693 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.849 -5.413 8.830 1.00 0.00 O ATOM 780 OE2 GLU A 49 7.930 -5.831 6.684 1.00 0.00 O ATOM 0 H GLU A 49 4.139 -5.528 5.590 1.00 0.00 H new ATOM 0 HA GLU A 49 5.769 -7.519 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.916 -5.407 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.105 -6.313 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.788 -4.548 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.812 -4.000 8.174 1.00 0.00 H new ATOM 787 N ARG A 50 2.519 -7.822 7.055 1.00 0.00 N ATOM 788 CA ARG A 50 1.447 -8.724 7.470 1.00 0.00 C ATOM 789 C ARG A 50 1.508 -10.051 6.710 1.00 0.00 C ATOM 790 O ARG A 50 1.361 -11.120 7.296 1.00 0.00 O ATOM 791 CB ARG A 50 0.085 -8.063 7.263 1.00 0.00 C ATOM 792 CG ARG A 50 -0.062 -6.720 7.961 1.00 0.00 C ATOM 793 CD ARG A 50 0.103 -6.841 9.465 1.00 0.00 C ATOM 794 NE ARG A 50 0.076 -5.532 10.125 1.00 0.00 N ATOM 795 CZ ARG A 50 -0.797 -5.180 11.075 1.00 0.00 C ATOM 796 NH1 ARG A 50 -1.764 -6.016 11.450 1.00 0.00 N ATOM 797 NH2 ARG A 50 -0.707 -3.983 11.644 1.00 0.00 N ATOM 0 H ARG A 50 2.205 -7.009 6.526 1.00 0.00 H new ATOM 0 HA ARG A 50 1.583 -8.936 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.083 -7.926 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.693 -8.736 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.680 -6.025 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.042 -6.300 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.693 -7.467 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.046 -7.341 9.688 1.00 0.00 H new ATOM 0 HE ARG A 50 0.771 -4.842 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.843 -6.934 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.425 -5.739 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.026 -3.335 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.371 -3.712 12.369 1.00 0.00 H new ATOM 811 N GLN A 51 1.721 -9.980 5.405 1.00 0.00 N ATOM 812 CA GLN A 51 1.795 -11.188 4.570 1.00 0.00 C ATOM 813 C GLN A 51 3.185 -11.790 4.622 1.00 0.00 C ATOM 814 O GLN A 51 3.384 -12.964 4.318 1.00 0.00 O ATOM 815 CB GLN A 51 1.438 -10.856 3.121 1.00 0.00 C ATOM 816 CG GLN A 51 -0.054 -10.753 2.818 1.00 0.00 C ATOM 817 CD GLN A 51 -0.868 -10.204 3.969 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.491 -10.951 4.714 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.794 -8.910 4.173 1.00 0.00 N ATOM 0 H GLN A 51 1.846 -9.106 4.895 1.00 0.00 H new ATOM 0 HA GLN A 51 1.080 -11.912 4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.911 -9.910 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.870 -11.620 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.196 -10.115 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.432 -11.741 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.265 -8.322 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.265 -8.492 4.975 1.00 0.00 H new ATOM 828 N GLY A 52 4.152 -10.971 4.980 1.00 0.00 N ATOM 829 CA GLY A 52 5.516 -11.424 5.075 1.00 0.00 C ATOM 830 C GLY A 52 6.214 -11.451 3.730 1.00 0.00 C ATOM 831 O GLY A 52 7.341 -11.938 3.605 1.00 0.00 O ATOM 0 H GLY A 52 4.014 -9.987 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.066 -10.771 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.534 -12.423 5.510 1.00 0.00 H new ATOM 835 N LEU A 53 5.544 -10.940 2.717 1.00 0.00 N ATOM 836 CA LEU A 53 6.089 -10.908 1.374 1.00 0.00 C ATOM 837 C LEU A 53 6.942 -9.663 1.137 1.00 0.00 C ATOM 838 O LEU A 53 7.044 -8.783 1.996 1.00 0.00 O ATOM 839 CB LEU A 53 4.958 -11.023 0.331 1.00 0.00 C ATOM 840 CG LEU A 53 3.749 -10.091 0.512 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.110 -8.655 0.215 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.602 -10.539 -0.370 1.00 0.00 C ATOM 0 H LEU A 53 4.611 -10.537 2.800 1.00 0.00 H new ATOM 0 HA LEU A 53 6.748 -11.768 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.385 -10.838 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.597 -12.052 0.334 1.00 0.00 H new ATOM 0 HG LEU A 53 3.437 -10.148 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.232 -8.023 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.900 -8.331 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.458 -8.573 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.753 -9.870 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.915 -10.516 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.311 -11.554 -0.101 1.00 0.00 H new ATOM 854 N SER A 54 7.546 -9.589 -0.031 1.00 0.00 N ATOM 855 CA SER A 54 8.397 -8.476 -0.388 1.00 0.00 C ATOM 856 C SER A 54 7.627 -7.441 -1.213 1.00 0.00 C ATOM 857 O SER A 54 6.917 -7.791 -2.157 1.00 0.00 O ATOM 858 CB SER A 54 9.587 -8.993 -1.187 1.00 0.00 C ATOM 859 OG SER A 54 10.373 -9.880 -0.412 1.00 0.00 O ATOM 0 H SER A 54 7.460 -10.299 -0.758 1.00 0.00 H new ATOM 0 HA SER A 54 8.744 -7.992 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.234 -9.503 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.199 -8.154 -1.518 1.00 0.00 H new ATOM 0 HG SER A 54 11.129 -10.199 -0.947 1.00 0.00 H new ATOM 865 N MET A 55 7.786 -6.158 -0.875 1.00 0.00 N ATOM 866 CA MET A 55 7.114 -5.079 -1.606 1.00 0.00 C ATOM 867 C MET A 55 7.669 -4.944 -3.014 1.00 0.00 C ATOM 868 O MET A 55 7.033 -4.374 -3.896 1.00 0.00 O ATOM 869 CB MET A 55 7.215 -3.727 -0.871 1.00 0.00 C ATOM 870 CG MET A 55 8.627 -3.318 -0.471 1.00 0.00 C ATOM 871 SD MET A 55 8.816 -1.530 -0.301 1.00 0.00 S ATOM 872 CE MET A 55 7.493 -1.145 0.841 1.00 0.00 C ATOM 0 H MET A 55 8.372 -5.842 -0.103 1.00 0.00 H new ATOM 0 HA MET A 55 6.060 -5.351 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.795 -2.950 -1.510 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.597 -3.771 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.886 -3.797 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.332 -3.684 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.862 -0.465 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.673 -0.672 0.301 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.138 -2.063 1.309 1.00 0.00 H new ATOM 882 N ARG A 56 8.862 -5.473 -3.228 1.00 0.00 N ATOM 883 CA ARG A 56 9.488 -5.418 -4.537 1.00 0.00 C ATOM 884 C ARG A 56 8.986 -6.552 -5.435 1.00 0.00 C ATOM 885 O ARG A 56 9.303 -6.613 -6.613 1.00 0.00 O ATOM 886 CB ARG A 56 11.011 -5.477 -4.407 1.00 0.00 C ATOM 887 CG ARG A 56 11.548 -6.803 -3.908 1.00 0.00 C ATOM 888 CD ARG A 56 13.048 -6.736 -3.684 1.00 0.00 C ATOM 889 NE ARG A 56 13.780 -6.361 -4.896 1.00 0.00 N ATOM 890 CZ ARG A 56 15.114 -6.274 -4.978 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.869 -6.527 -3.916 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.686 -5.927 -6.125 1.00 0.00 N ATOM 0 H ARG A 56 9.415 -5.945 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 56 9.214 -4.471 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.455 -5.262 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.336 -4.689 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.050 -7.073 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.320 -7.586 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.263 -6.014 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.403 -7.705 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 56 13.237 -6.152 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.434 -6.789 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.884 -6.459 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.110 -5.727 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.702 -5.860 -6.189 1.00 0.00 H new ATOM 906 N GLN A 57 8.224 -7.469 -4.855 1.00 0.00 N ATOM 907 CA GLN A 57 7.682 -8.606 -5.601 1.00 0.00 C ATOM 908 C GLN A 57 6.191 -8.432 -5.843 1.00 0.00 C ATOM 909 O GLN A 57 5.509 -9.355 -6.288 1.00 0.00 O ATOM 910 CB GLN A 57 7.934 -9.898 -4.822 1.00 0.00 C ATOM 911 CG GLN A 57 9.392 -10.108 -4.459 1.00 0.00 C ATOM 912 CD GLN A 57 10.259 -10.434 -5.655 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.488 -11.598 -5.975 1.00 0.00 O ATOM 914 NE2 GLN A 57 10.721 -9.407 -6.340 1.00 0.00 N ATOM 0 H GLN A 57 7.964 -7.451 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 57 8.183 -8.658 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.338 -9.885 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.589 -10.745 -5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.773 -9.209 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.467 -10.917 -3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.507 -8.456 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.292 -9.563 -7.170 1.00 0.00 H new ATOM 923 N ILE A 58 5.678 -7.254 -5.544 1.00 0.00 N ATOM 924 CA ILE A 58 4.264 -6.982 -5.713 1.00 0.00 C ATOM 925 C ILE A 58 4.021 -5.615 -6.323 1.00 0.00 C ATOM 926 O ILE A 58 4.945 -4.817 -6.513 1.00 0.00 O ATOM 927 CB ILE A 58 3.499 -7.055 -4.371 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.198 -6.235 -3.301 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.328 -8.481 -3.915 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.409 -6.122 -2.023 1.00 0.00 C ATOM 0 H ILE A 58 6.220 -6.469 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 58 3.893 -7.754 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 58 2.508 -6.632 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.166 -6.686 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.392 -5.235 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.787 -8.498 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.766 -9.038 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.307 -8.940 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.967 -5.523 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.451 -5.644 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.237 -7.117 -1.612 1.00 0.00 H new ATOM 942 N ARG A 59 2.765 -5.353 -6.632 1.00 0.00 N ATOM 943 CA ARG A 59 2.334 -4.081 -7.165 1.00 0.00 C ATOM 944 C ARG A 59 1.017 -3.689 -6.561 1.00 0.00 C ATOM 945 O ARG A 59 0.181 -4.548 -6.257 1.00 0.00 O ATOM 946 CB ARG A 59 2.205 -4.128 -8.681 1.00 0.00 C ATOM 947 CG ARG A 59 3.517 -4.030 -9.411 1.00 0.00 C ATOM 948 CD ARG A 59 4.167 -2.680 -9.187 1.00 0.00 C ATOM 949 NE ARG A 59 3.382 -1.587 -9.752 1.00 0.00 N ATOM 950 CZ ARG A 59 3.726 -0.302 -9.664 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.875 0.048 -9.082 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.939 0.627 -10.185 1.00 0.00 N ATOM 0 H ARG A 59 2.009 -6.028 -6.517 1.00 0.00 H new ATOM 0 HA ARG A 59 3.091 -3.340 -6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.712 -5.058 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.559 -3.313 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.186 -4.820 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.356 -4.187 -10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.298 -2.515 -8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.161 -2.679 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 59 2.519 -1.820 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.494 -0.669 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.135 1.032 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.073 0.358 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.199 1.611 -10.119 1.00 0.00 H new ATOM 966 N PHE A 60 0.824 -2.395 -6.386 1.00 0.00 N ATOM 967 CA PHE A 60 -0.405 -1.875 -5.809 1.00 0.00 C ATOM 968 C PHE A 60 -1.175 -1.068 -6.842 1.00 0.00 C ATOM 969 O PHE A 60 -0.622 -0.170 -7.494 1.00 0.00 O ATOM 970 CB PHE A 60 -0.116 -0.999 -4.566 1.00 0.00 C ATOM 971 CG PHE A 60 0.416 -1.750 -3.377 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.636 -2.397 -3.432 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.303 -1.793 -2.196 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.130 -3.072 -2.336 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.185 -2.469 -1.094 1.00 0.00 C ATOM 976 CZ PHE A 60 1.403 -3.108 -1.165 1.00 0.00 C ATOM 0 H PHE A 60 1.506 -1.679 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.010 -2.726 -5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.602 -0.227 -4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.035 -0.490 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.210 -2.374 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.258 -1.292 -2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.085 -3.572 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.388 -2.496 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.788 -3.636 -0.305 1.00 0.00 H new ATOM 986 N ARG A 61 -2.442 -1.390 -7.013 1.00 0.00 N ATOM 987 CA ARG A 61 -3.283 -0.679 -7.958 1.00 0.00 C ATOM 988 C ARG A 61 -4.569 -0.223 -7.279 1.00 0.00 C ATOM 989 O ARG A 61 -5.101 -0.907 -6.401 1.00 0.00 O ATOM 990 CB ARG A 61 -3.596 -1.564 -9.186 1.00 0.00 C ATOM 991 CG ARG A 61 -4.698 -2.583 -8.965 1.00 0.00 C ATOM 992 CD ARG A 61 -6.055 -2.030 -9.393 1.00 0.00 C ATOM 993 NE ARG A 61 -7.157 -2.933 -9.074 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.837 -3.642 -9.971 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.467 -3.643 -11.246 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.876 -4.371 -9.585 1.00 0.00 N ATOM 0 H ARG A 61 -2.913 -2.141 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.744 0.202 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.876 -0.920 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.687 -2.089 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.477 -3.489 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.732 -2.863 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.223 -1.071 -8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.044 -1.842 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.424 -3.027 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.657 -3.098 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.992 -4.189 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.151 -4.387 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.400 -4.916 -10.270 1.00 0.00 H new ATOM 1010 N PHE A 62 -5.064 0.923 -7.678 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.279 1.468 -7.117 1.00 0.00 C ATOM 1012 C PHE A 62 -7.107 2.117 -8.205 1.00 0.00 C ATOM 1013 O PHE A 62 -6.592 2.881 -8.994 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.934 2.504 -6.044 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.127 3.194 -5.460 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.849 2.608 -4.443 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.524 4.436 -5.931 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.945 3.239 -3.904 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.623 5.074 -5.396 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.335 4.474 -4.379 1.00 0.00 C ATOM 0 H PHE A 62 -4.638 1.505 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.855 0.660 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.383 2.012 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.269 3.252 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.550 1.641 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.966 4.909 -6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.501 2.767 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.925 6.040 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.196 4.970 -3.955 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.394 1.798 -8.257 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.324 2.406 -9.234 1.00 0.00 C ATOM 1032 C ASP A 63 -8.873 2.165 -10.662 1.00 0.00 C ATOM 1033 O ASP A 63 -9.154 2.964 -11.558 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.420 3.909 -9.007 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.750 4.491 -9.449 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.775 3.797 -9.334 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.774 5.654 -9.902 1.00 0.00 O ATOM 0 H ASP A 63 -8.831 1.118 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.296 1.936 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.270 4.121 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.615 4.405 -9.549 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.192 1.074 -10.897 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.703 0.815 -12.226 1.00 0.00 C ATOM 1044 C GLY A 64 -6.380 1.501 -12.518 1.00 0.00 C ATOM 1045 O GLY A 64 -5.765 1.260 -13.554 1.00 0.00 O ATOM 0 H GLY A 64 -7.966 0.363 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.585 -0.260 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.446 1.147 -12.951 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.927 2.359 -11.614 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.674 3.068 -11.813 1.00 0.00 C ATOM 1051 C GLN A 65 -3.631 2.640 -10.785 1.00 0.00 C ATOM 1052 O GLN A 65 -3.922 2.511 -9.598 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.887 4.590 -11.793 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.670 5.101 -10.597 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.020 6.558 -10.717 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.283 7.437 -10.263 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -7.143 6.827 -11.334 1.00 0.00 N ATOM 0 H GLN A 65 -6.406 2.579 -10.741 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.294 2.802 -12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.914 5.080 -11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.408 4.883 -12.704 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.585 4.519 -10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.085 4.945 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.722 6.068 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.439 7.796 -11.455 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.409 2.391 -11.240 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.313 1.960 -10.374 1.00 0.00 C ATOM 1068 C PRO A 66 -0.745 3.108 -9.539 1.00 0.00 C ATOM 1069 O PRO A 66 -0.751 4.274 -9.964 1.00 0.00 O ATOM 1070 CB PRO A 66 -0.269 1.461 -11.368 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.505 2.281 -12.590 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.993 2.508 -12.648 1.00 0.00 C ATOM 0 HA PRO A 66 -1.632 1.212 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.742 1.598 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.391 0.397 -11.573 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.034 3.227 -12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.153 1.764 -13.483 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.235 3.488 -13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.489 1.768 -13.277 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.251 2.788 -8.353 1.00 0.00 N ATOM 1081 CA ILE A 67 0.327 3.785 -7.471 1.00 0.00 C ATOM 1082 C ILE A 67 1.647 3.305 -6.900 1.00 0.00 C ATOM 1083 O ILE A 67 1.795 2.142 -6.525 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.610 4.192 -6.289 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.115 2.958 -5.498 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.770 5.049 -6.782 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.309 2.258 -6.111 1.00 0.00 C ATOM 0 H ILE A 67 -0.240 1.839 -7.979 1.00 0.00 H new ATOM 0 HA ILE A 67 0.478 4.666 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.019 4.792 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.298 2.242 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.375 3.273 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.407 5.319 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.381 5.955 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.353 4.487 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.591 1.408 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.145 2.954 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.051 1.907 -7.110 1.00 0.00 H new ATOM 1099 N ASN A 68 2.613 4.190 -6.860 1.00 0.00 N ATOM 1100 CA ASN A 68 3.913 3.885 -6.290 1.00 0.00 C ATOM 1101 C ASN A 68 3.991 4.389 -4.871 1.00 0.00 C ATOM 1102 O ASN A 68 3.223 5.264 -4.471 1.00 0.00 O ATOM 1103 CB ASN A 68 5.053 4.495 -7.129 1.00 0.00 C ATOM 1104 CG ASN A 68 4.743 5.877 -7.664 1.00 0.00 C ATOM 1105 OD1 ASN A 68 5.180 6.247 -8.752 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.011 6.655 -6.903 1.00 0.00 N ATOM 0 H ASN A 68 2.526 5.141 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 68 4.033 2.802 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.955 4.545 -6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.271 3.832 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.787 7.602 -7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.666 6.313 -6.006 1.00 0.00 H new ATOM 1113 N GLU A 69 4.932 3.865 -4.118 1.00 0.00 N ATOM 1114 CA GLU A 69 5.118 4.244 -2.724 1.00 0.00 C ATOM 1115 C GLU A 69 5.473 5.724 -2.574 1.00 0.00 C ATOM 1116 O GLU A 69 5.282 6.320 -1.512 1.00 0.00 O ATOM 1117 CB GLU A 69 6.209 3.397 -2.100 1.00 0.00 C ATOM 1118 CG GLU A 69 7.453 3.301 -2.951 1.00 0.00 C ATOM 1119 CD GLU A 69 8.656 2.880 -2.165 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.971 3.550 -1.155 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.316 1.898 -2.559 1.00 0.00 O ATOM 0 H GLU A 69 5.594 3.163 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 69 4.172 4.073 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.473 3.816 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.822 2.394 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.283 2.588 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.647 4.268 -3.415 1.00 0.00 H new ATOM 1128 N THR A 70 5.972 6.321 -3.644 1.00 0.00 N ATOM 1129 CA THR A 70 6.379 7.712 -3.629 1.00 0.00 C ATOM 1130 C THR A 70 5.170 8.643 -3.684 1.00 0.00 C ATOM 1131 O THR A 70 5.290 9.858 -3.546 1.00 0.00 O ATOM 1132 CB THR A 70 7.332 8.008 -4.801 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.702 7.651 -6.040 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.607 7.203 -4.651 1.00 0.00 C ATOM 0 H THR A 70 6.105 5.856 -4.542 1.00 0.00 H new ATOM 0 HA THR A 70 6.905 7.895 -2.692 1.00 0.00 H new ATOM 0 HB THR A 70 7.569 9.072 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.311 7.842 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.274 7.420 -5.485 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.098 7.470 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.367 6.140 -4.645 1.00 0.00 H new ATOM 1142 N ASP A 71 4.004 8.065 -3.876 1.00 0.00 N ATOM 1143 CA ASP A 71 2.774 8.834 -3.929 1.00 0.00 C ATOM 1144 C ASP A 71 1.992 8.704 -2.637 1.00 0.00 C ATOM 1145 O ASP A 71 2.292 7.856 -1.799 1.00 0.00 O ATOM 1146 CB ASP A 71 1.926 8.440 -5.139 1.00 0.00 C ATOM 1147 CG ASP A 71 2.190 9.356 -6.318 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.943 10.567 -6.198 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.669 8.869 -7.365 1.00 0.00 O ATOM 0 H ASP A 71 3.879 7.060 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 71 3.042 9.884 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.145 7.410 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.869 8.480 -4.874 1.00 0.00 H new ATOM 1154 N THR A 72 1.004 9.558 -2.462 1.00 0.00 N ATOM 1155 CA THR A 72 0.197 9.569 -1.252 1.00 0.00 C ATOM 1156 C THR A 72 -1.259 9.236 -1.569 1.00 0.00 C ATOM 1157 O THR A 72 -1.696 9.369 -2.716 1.00 0.00 O ATOM 1158 CB THR A 72 0.256 10.959 -0.584 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.037 11.972 -1.557 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.625 11.216 0.024 1.00 0.00 C ATOM 0 H THR A 72 0.736 10.262 -3.149 1.00 0.00 H new ATOM 0 HA THR A 72 0.599 8.816 -0.575 1.00 0.00 H new ATOM 0 HB THR A 72 -0.484 10.988 0.215 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.001 12.854 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.638 12.202 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.836 10.458 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.384 11.172 -0.757 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.043 8.801 -0.558 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.469 8.502 -0.738 1.00 0.00 C ATOM 1170 C PRO A 73 -4.284 9.765 -1.055 1.00 0.00 C ATOM 1171 O PRO A 73 -5.470 9.696 -1.396 1.00 0.00 O ATOM 1172 CB PRO A 73 -3.890 7.917 0.617 1.00 0.00 C ATOM 1173 CG PRO A 73 -2.885 8.425 1.586 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.597 8.538 0.829 1.00 0.00 C ATOM 0 HA PRO A 73 -3.643 7.826 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.896 8.236 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.897 6.827 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.186 9.392 1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.781 7.746 2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.974 9.346 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.009 7.623 0.896 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.646 10.920 -0.943 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.293 12.189 -1.231 1.00 0.00 C ATOM 1184 C ALA A 74 -4.015 12.619 -2.659 1.00 0.00 C ATOM 1185 O ALA A 74 -4.650 13.523 -3.186 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.818 13.256 -0.264 1.00 0.00 C ATOM 0 H ALA A 74 -2.672 11.003 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.368 12.059 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.312 14.200 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.061 12.957 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.739 13.378 -0.359 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.057 11.960 -3.294 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.685 12.288 -4.660 1.00 0.00 C ATOM 1194 C GLN A 75 -3.814 11.921 -5.614 1.00 0.00 C ATOM 1195 O GLN A 75 -4.068 12.605 -6.600 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.424 11.533 -5.061 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.652 12.187 -6.186 1.00 0.00 C ATOM 1198 CD GLN A 75 0.135 13.383 -5.704 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.357 14.510 -5.696 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.371 13.147 -5.310 1.00 0.00 N ATOM 0 H GLN A 75 -2.523 11.194 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.496 13.360 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.774 11.443 -4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.697 10.521 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.027 11.460 -6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.344 12.498 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.741 12.197 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.957 13.915 -4.983 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.496 10.834 -5.304 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.586 10.351 -6.130 1.00 0.00 C ATOM 1211 C LEU A 76 -6.931 10.524 -5.432 1.00 0.00 C ATOM 1212 O LEU A 76 -7.973 10.159 -5.969 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.362 8.871 -6.575 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.749 7.877 -5.543 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.251 8.100 -5.367 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.454 7.963 -4.203 1.00 0.00 C ATOM 0 H LEU A 76 -4.311 10.265 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.602 10.961 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.324 8.470 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.715 8.881 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.897 6.875 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.860 7.388 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.747 7.956 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.073 9.115 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.001 7.256 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.360 8.974 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.509 7.721 -4.331 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.892 11.095 -4.227 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.091 11.347 -3.428 1.00 0.00 C ATOM 1230 C GLU A 77 -8.930 10.084 -3.222 1.00 0.00 C ATOM 1231 O GLU A 77 -10.076 10.002 -3.663 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.934 12.456 -4.057 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.315 13.834 -3.936 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.324 14.346 -2.511 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.372 14.052 -1.759 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.282 15.048 -2.139 1.00 0.00 O ATOM 0 H GLU A 77 -6.027 11.396 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.756 11.673 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.089 12.228 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.916 12.466 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.289 13.802 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.859 14.531 -4.573 1.00 0.00 H new ATOM 1243 N MET A 78 -8.351 9.088 -2.574 1.00 0.00 N ATOM 1244 CA MET A 78 -9.088 7.866 -2.273 1.00 0.00 C ATOM 1245 C MET A 78 -10.028 8.080 -1.096 1.00 0.00 C ATOM 1246 O MET A 78 -9.893 9.050 -0.340 1.00 0.00 O ATOM 1247 CB MET A 78 -8.147 6.686 -2.011 1.00 0.00 C ATOM 1248 CG MET A 78 -7.060 6.973 -1.002 1.00 0.00 C ATOM 1249 SD MET A 78 -6.038 5.530 -0.640 1.00 0.00 S ATOM 1250 CE MET A 78 -5.692 4.899 -2.279 1.00 0.00 C ATOM 0 H MET A 78 -7.385 9.097 -2.248 1.00 0.00 H new ATOM 0 HA MET A 78 -9.685 7.618 -3.151 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.735 5.837 -1.663 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.684 6.389 -2.952 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.426 7.776 -1.377 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.514 7.331 -0.078 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.656 4.563 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.356 4.062 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.853 5.688 -3.014 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.964 7.171 -0.931 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.988 7.290 0.093 1.00 0.00 C ATOM 1262 C GLU A 79 -11.590 6.529 1.364 1.00 0.00 C ATOM 1263 O GLU A 79 -10.704 5.671 1.339 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.310 6.752 -0.464 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.519 7.028 0.404 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.776 6.423 -0.165 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.003 5.211 0.045 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -16.550 7.153 -0.817 1.00 0.00 O ATOM 0 H GLU A 79 -11.040 6.328 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.102 8.340 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.479 7.189 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.218 5.675 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.346 6.629 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.651 8.105 0.509 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.234 6.858 2.484 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.965 6.191 3.754 1.00 0.00 C ATOM 1277 C ASP A 80 -12.380 4.736 3.675 1.00 0.00 C ATOM 1278 O ASP A 80 -13.455 4.412 3.166 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.729 6.841 4.926 1.00 0.00 C ATOM 1280 CG ASP A 80 -12.610 8.346 5.002 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -12.930 9.030 4.006 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -12.218 8.853 6.073 1.00 0.00 O ATOM 0 H ASP A 80 -12.948 7.585 2.535 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.894 6.283 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.784 6.577 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.365 6.414 5.860 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.514 3.861 4.162 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.762 2.418 4.229 1.00 0.00 C ATOM 1289 C GLU A 81 -11.760 1.786 2.846 1.00 0.00 C ATOM 1290 O GLU A 81 -12.277 0.685 2.656 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.071 2.097 4.962 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.153 2.654 6.375 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.316 2.078 7.150 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -15.471 2.242 6.709 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.079 1.448 8.204 1.00 0.00 O ATOM 0 H GLU A 81 -10.602 4.132 4.530 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.942 1.986 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.905 2.491 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.194 1.015 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.224 2.438 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.250 3.739 6.331 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.163 2.470 1.876 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.091 1.942 0.519 1.00 0.00 C ATOM 1304 C ASP A 82 -10.113 0.776 0.462 1.00 0.00 C ATOM 1305 O ASP A 82 -9.445 0.459 1.448 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.667 3.023 -0.469 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.426 2.923 -1.783 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.409 1.834 -2.408 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.039 3.935 -2.198 1.00 0.00 O ATOM 0 H ASP A 82 -10.726 3.383 2.002 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.085 1.593 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.836 4.005 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.597 2.939 -0.661 1.00 0.00 H new ATOM 1314 N THR A 83 -10.001 0.146 -0.684 1.00 0.00 N ATOM 1315 CA THR A 83 -9.141 -1.006 -0.816 1.00 0.00 C ATOM 1316 C THR A 83 -8.239 -0.886 -2.044 1.00 0.00 C ATOM 1317 O THR A 83 -8.599 -0.264 -3.040 1.00 0.00 O ATOM 1318 CB THR A 83 -9.967 -2.304 -0.906 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.129 -2.184 -0.075 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.148 -3.491 -0.427 1.00 0.00 C ATOM 0 H THR A 83 -10.494 0.411 -1.537 1.00 0.00 H new ATOM 0 HA THR A 83 -8.515 -1.046 0.075 1.00 0.00 H new ATOM 0 HB THR A 83 -10.255 -2.462 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.658 -3.007 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.747 -4.399 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.259 -3.594 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.850 -3.333 0.609 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.066 -1.485 -1.963 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.092 -1.461 -3.038 1.00 0.00 C ATOM 1330 C ILE A 84 -5.778 -2.889 -3.433 1.00 0.00 C ATOM 1331 O ILE A 84 -5.619 -3.751 -2.577 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.770 -0.730 -2.618 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.980 0.783 -2.495 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.640 -1.019 -3.592 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.770 1.194 -1.284 1.00 0.00 C ATOM 0 H ILE A 84 -6.760 -2.007 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.517 -0.908 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.491 -1.121 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.007 1.273 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.491 1.142 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.739 -0.496 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.447 -2.092 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.922 -0.677 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.875 2.279 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.758 0.734 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.251 0.867 -0.383 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.706 -3.148 -4.714 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.433 -4.486 -5.200 1.00 0.00 C ATOM 1349 C ASP A 85 -3.946 -4.709 -5.354 1.00 0.00 C ATOM 1350 O ASP A 85 -3.217 -3.834 -5.831 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.138 -4.726 -6.523 1.00 0.00 C ATOM 1352 CG ASP A 85 -7.639 -4.835 -6.376 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -8.124 -5.900 -5.922 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.344 -3.859 -6.714 1.00 0.00 O ATOM 0 H ASP A 85 -5.833 -2.449 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.814 -5.196 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.903 -3.911 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.754 -5.642 -6.973 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.489 -5.878 -4.950 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.091 -6.218 -5.009 1.00 0.00 C ATOM 1361 C VAL A 86 -1.870 -7.474 -5.832 1.00 0.00 C ATOM 1362 O VAL A 86 -2.632 -8.435 -5.744 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.509 -6.399 -3.578 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.310 -7.335 -3.563 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.121 -5.056 -3.014 1.00 0.00 C ATOM 0 H VAL A 86 -4.082 -6.617 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.567 -5.396 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.284 -6.851 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.063 -7.432 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.609 -8.315 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.476 -6.930 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.714 -5.186 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.368 -4.596 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.000 -4.413 -2.968 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.822 -7.468 -6.631 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.493 -8.608 -7.472 1.00 0.00 C ATOM 1377 C PHE A 87 1.003 -8.848 -7.503 1.00 0.00 C ATOM 1378 O PHE A 87 1.792 -7.921 -7.340 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.057 -8.438 -8.893 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.016 -7.033 -9.429 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.976 -6.108 -9.045 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.031 -6.638 -10.317 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.952 -4.825 -9.529 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -0.005 -5.350 -10.810 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.967 -4.439 -10.415 1.00 0.00 C ATOM 0 H PHE A 87 -0.178 -6.682 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.964 -9.488 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.499 -9.085 -9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.091 -8.784 -8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.753 -6.402 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.724 -7.345 -10.627 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.705 -4.116 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.767 -5.053 -11.505 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.948 -3.429 -10.798 1.00 0.00 H new ATOM 1395 N GLN A 88 1.397 -10.100 -7.701 1.00 0.00 N ATOM 1396 CA GLN A 88 2.806 -10.469 -7.726 1.00 0.00 C ATOM 1397 C GLN A 88 3.250 -10.818 -9.129 1.00 0.00 C ATOM 1398 O GLN A 88 2.791 -11.808 -9.707 1.00 0.00 O ATOM 1399 CB GLN A 88 3.069 -11.665 -6.816 1.00 0.00 C ATOM 1400 CG GLN A 88 2.898 -11.359 -5.355 1.00 0.00 C ATOM 1401 CD GLN A 88 3.312 -12.488 -4.448 1.00 0.00 C ATOM 1402 OE1 GLN A 88 3.177 -13.662 -4.786 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.843 -12.133 -3.297 1.00 0.00 N ATOM 0 H GLN A 88 0.756 -10.880 -7.847 1.00 0.00 H new ATOM 0 HA GLN A 88 3.373 -9.608 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.393 -12.475 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.084 -12.025 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.482 -10.473 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.853 -11.115 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.934 -11.145 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.163 -12.846 -2.642 1.00 0.00 H new ATOM 1412 N GLN A 89 4.110 -9.995 -9.694 1.00 0.00 N ATOM 1413 CA GLN A 89 4.672 -10.256 -11.017 1.00 0.00 C ATOM 1414 C GLN A 89 5.387 -11.594 -11.068 1.00 0.00 C ATOM 1415 O GLN A 89 5.712 -12.198 -10.038 1.00 0.00 O ATOM 1416 CB GLN A 89 5.648 -9.160 -11.435 1.00 0.00 C ATOM 1417 CG GLN A 89 5.120 -7.749 -11.286 1.00 0.00 C ATOM 1418 CD GLN A 89 5.590 -7.099 -10.004 1.00 0.00 C ATOM 1419 OE1 GLN A 89 5.732 -7.751 -8.979 1.00 0.00 O ATOM 1420 NE2 GLN A 89 5.874 -5.821 -10.069 1.00 0.00 N ATOM 0 H GLN A 89 4.441 -9.133 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 89 3.831 -10.274 -11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.557 -9.257 -10.842 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.928 -9.320 -12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.444 -7.149 -12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.030 -7.766 -11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.741 -5.313 -10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.228 -5.335 -9.245 1.00 0.00 H new ATOM 1429 N GLN A 90 5.632 -12.048 -12.271 1.00 0.00 N ATOM 1430 CA GLN A 90 6.300 -13.299 -12.506 1.00 0.00 C ATOM 1431 C GLN A 90 7.774 -13.190 -12.141 1.00 0.00 C ATOM 1432 O GLN A 90 8.342 -12.096 -12.102 1.00 0.00 O ATOM 1433 CB GLN A 90 6.151 -13.716 -13.978 1.00 0.00 C ATOM 1434 CG GLN A 90 6.932 -12.851 -14.973 1.00 0.00 C ATOM 1435 CD GLN A 90 6.453 -11.407 -15.057 1.00 0.00 C ATOM 1436 OE1 GLN A 90 5.274 -11.106 -14.841 1.00 0.00 O ATOM 1437 NE2 GLN A 90 7.363 -10.508 -15.372 1.00 0.00 N ATOM 0 H GLN A 90 5.370 -11.552 -13.123 1.00 0.00 H new ATOM 0 HA GLN A 90 5.839 -14.060 -11.877 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.478 -14.751 -14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.094 -13.687 -14.244 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.985 -12.857 -14.693 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.863 -13.303 -15.962 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.326 -10.796 -15.543 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.104 -9.524 -15.445 1.00 0.00 H new ATOM 1446 N THR A 91 8.391 -14.314 -11.878 1.00 0.00 N ATOM 1447 CA THR A 91 9.794 -14.340 -11.535 1.00 0.00 C ATOM 1448 C THR A 91 10.642 -14.418 -12.788 1.00 0.00 C ATOM 1449 O THR A 91 11.648 -13.715 -12.936 1.00 0.00 O ATOM 1450 CB THR A 91 10.110 -15.535 -10.623 1.00 0.00 C ATOM 1451 OG1 THR A 91 9.485 -16.718 -11.146 1.00 0.00 O ATOM 1452 CG2 THR A 91 9.619 -15.279 -9.205 1.00 0.00 C ATOM 0 H THR A 91 7.942 -15.230 -11.895 1.00 0.00 H new ATOM 0 HA THR A 91 10.028 -13.419 -11.001 1.00 0.00 H new ATOM 0 HB THR A 91 11.191 -15.673 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.689 -17.480 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.854 -16.139 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.110 -14.392 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.540 -15.122 -9.216 1.00 0.00 H new ATOM 1460 N GLY A 92 10.227 -15.273 -13.689 1.00 0.00 N ATOM 1461 CA GLY A 92 10.947 -15.467 -14.923 1.00 0.00 C ATOM 1462 C GLY A 92 12.198 -16.262 -14.679 1.00 0.00 C ATOM 1463 O GLY A 92 13.285 -15.897 -15.124 1.00 0.00 O ATOM 0 H GLY A 92 9.390 -15.848 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.314 -15.985 -15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.201 -14.501 -15.359 1.00 0.00 H new ATOM 1467 N GLY A 93 12.049 -17.351 -13.957 1.00 0.00 N ATOM 1468 CA GLY A 93 13.175 -18.171 -13.602 1.00 0.00 C ATOM 1469 C GLY A 93 13.482 -18.065 -12.130 1.00 0.00 C ATOM 1470 O GLY A 93 12.552 -17.774 -11.349 1.00 0.00 O ATOM 1471 OXT GLY A 93 14.647 -18.277 -11.737 1.00 0.00 O ATOM 0 H GLY A 93 11.152 -17.686 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.968 -19.210 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.047 -17.867 -14.181 1.00 0.00 H new TER 1475 GLY A 93