USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -137:sc= 0 (180deg=-0.51) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 160:sc= 0.987 (180deg=0) USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.303 K(o=1.3,f=-6.8) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 25 ASN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 164:sc=-0.00708 (180deg=-0.243) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 171:sc= -0.525 (180deg=-0.773) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0858 X(o=0.086,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 175:sc= -2.16 (180deg=-2.46) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.555 K(o=0.55,f=-3.8!) USER MOD Single : A 69 GLN : amide:sc= 0.363 X(o=0.36,f=-0.046) USER MOD Single : A 71 GLN : amide:sc= 0.875 K(o=0.88,f=-0.34) USER MOD Single : A 72 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.53) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.413 USER MOD Single : A 88 GLN : amide:sc= 0.116 X(o=0.12,f=-0.25) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.267 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0603) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -167:sc= -0.0241 (180deg=-0.413) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.641) USER MOD Single : A 105 ASN : amide:sc= 1.16 K(o=1.2,f=-0.84) USER MOD Single : A 108 THR OG1 : rot 120:sc= 0.774 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.763 13.429 10.103 1.00 0.00 N ATOM 2 CA GLN A 23 4.150 13.779 10.426 1.00 0.00 C ATOM 3 C GLN A 23 5.163 12.822 9.758 1.00 0.00 C ATOM 4 O GLN A 23 4.784 11.865 9.073 1.00 0.00 O ATOM 5 CB GLN A 23 4.342 13.825 11.955 1.00 0.00 C ATOM 6 CG GLN A 23 3.428 14.852 12.651 1.00 0.00 C ATOM 7 CD GLN A 23 3.654 14.956 14.163 1.00 0.00 C ATOM 8 OE1 GLN A 23 4.484 14.285 14.768 1.00 0.00 O ATOM 9 NE2 GLN A 23 2.917 15.811 14.844 1.00 0.00 N ATOM 0 HA GLN A 23 4.349 14.771 10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.147 12.836 12.369 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.382 14.064 12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.589 15.832 12.201 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.388 14.583 12.466 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.220 16.380 14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.043 15.904 15.852 1.00 0.00 H new ATOM 18 N ILE A 24 6.463 13.086 9.940 1.00 0.00 N ATOM 19 CA ILE A 24 7.552 12.369 9.254 1.00 0.00 C ATOM 20 C ILE A 24 7.561 10.877 9.627 1.00 0.00 C ATOM 21 O ILE A 24 7.562 10.509 10.804 1.00 0.00 O ATOM 22 CB ILE A 24 8.931 13.021 9.527 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.940 14.563 9.387 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.008 12.406 8.610 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.324 15.120 8.096 1.00 0.00 C ATOM 0 H ILE A 24 6.795 13.812 10.575 1.00 0.00 H new ATOM 0 HA ILE A 24 7.362 12.445 8.183 1.00 0.00 H new ATOM 0 HB ILE A 24 9.156 12.807 10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.405 14.989 10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.971 14.909 9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.971 12.875 8.814 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.079 11.335 8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.737 12.573 7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.384 16.208 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.870 14.733 7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.280 14.815 8.030 1.00 0.00 H new ATOM 37 N ASN A 25 7.592 10.027 8.599 1.00 0.00 N ATOM 38 CA ASN A 25 7.736 8.569 8.686 1.00 0.00 C ATOM 39 C ASN A 25 8.986 8.105 7.907 1.00 0.00 C ATOM 40 O ASN A 25 9.716 8.922 7.341 1.00 0.00 O ATOM 41 CB ASN A 25 6.429 7.917 8.196 1.00 0.00 C ATOM 42 CG ASN A 25 5.361 7.855 9.280 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.157 6.829 9.914 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.646 8.928 9.542 1.00 0.00 N ATOM 0 H ASN A 25 7.514 10.351 7.635 1.00 0.00 H new ATOM 0 HA ASN A 25 7.896 8.254 9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.045 8.479 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.641 6.908 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.930 8.899 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.808 9.789 9.019 1.00 0.00 H new ATOM 51 N GLN A 26 9.254 6.795 7.880 1.00 0.00 N ATOM 52 CA GLN A 26 10.508 6.254 7.378 1.00 0.00 C ATOM 53 C GLN A 26 10.678 6.434 5.865 1.00 0.00 C ATOM 54 O GLN A 26 9.821 6.093 5.048 1.00 0.00 O ATOM 55 CB GLN A 26 10.597 4.765 7.770 1.00 0.00 C ATOM 56 CG GLN A 26 9.454 3.886 7.203 1.00 0.00 C ATOM 57 CD GLN A 26 9.944 2.862 6.177 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.233 1.713 6.489 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.067 3.236 4.920 1.00 0.00 N ATOM 0 H GLN A 26 8.601 6.083 8.208 1.00 0.00 H new ATOM 0 HA GLN A 26 11.324 6.815 7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.551 4.367 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.594 4.687 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.963 3.364 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.705 4.528 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.830 4.190 4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.399 2.572 4.221 1.00 0.00 H new ATOM 68 N VAL A 27 11.857 6.929 5.515 1.00 0.00 N ATOM 69 CA VAL A 27 12.346 7.145 4.138 1.00 0.00 C ATOM 70 C VAL A 27 13.868 7.355 4.085 1.00 0.00 C ATOM 71 O VAL A 27 14.489 7.675 5.104 1.00 0.00 O ATOM 72 CB VAL A 27 11.580 8.326 3.502 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.740 9.616 4.310 1.00 0.00 C ATOM 74 CG2 VAL A 27 11.963 8.579 2.038 1.00 0.00 C ATOM 0 H VAL A 27 12.544 7.210 6.214 1.00 0.00 H new ATOM 0 HA VAL A 27 12.151 6.243 3.557 1.00 0.00 H new ATOM 0 HB VAL A 27 10.532 8.026 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.185 10.420 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.354 9.464 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.795 9.884 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.389 9.421 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.027 8.806 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.745 7.690 1.446 1.00 0.00 H new ATOM 84 N ARG A 28 14.475 7.238 2.892 1.00 0.00 N ATOM 85 CA ARG A 28 15.867 7.624 2.633 1.00 0.00 C ATOM 86 C ARG A 28 16.107 7.841 1.121 1.00 0.00 C ATOM 87 O ARG A 28 15.803 6.926 0.355 1.00 0.00 O ATOM 88 CB ARG A 28 16.762 6.467 3.150 1.00 0.00 C ATOM 89 CG ARG A 28 18.209 6.844 3.473 1.00 0.00 C ATOM 90 CD ARG A 28 18.294 7.979 4.493 1.00 0.00 C ATOM 91 NE ARG A 28 17.448 7.738 5.686 1.00 0.00 N ATOM 92 CZ ARG A 28 17.828 7.329 6.884 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.075 7.098 7.184 1.00 0.00 N ATOM 94 NH2 ARG A 28 16.938 7.137 7.815 1.00 0.00 N ATOM 0 H ARG A 28 14.002 6.866 2.069 1.00 0.00 H new ATOM 0 HA ARG A 28 16.101 8.561 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.305 6.051 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.770 5.675 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.733 5.970 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.719 7.142 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.330 8.104 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.990 8.912 4.019 1.00 0.00 H new ATOM 0 HE ARG A 28 16.449 7.909 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.802 7.232 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.324 6.783 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.951 7.302 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.228 6.821 8.741 1.00 0.00 H new ATOM 108 N PRO A 29 16.609 9.005 0.666 1.00 0.00 N ATOM 109 CA PRO A 29 16.853 9.298 -0.749 1.00 0.00 C ATOM 110 C PRO A 29 18.340 9.173 -1.147 1.00 0.00 C ATOM 111 O PRO A 29 19.194 8.795 -0.342 1.00 0.00 O ATOM 112 CB PRO A 29 16.322 10.729 -0.914 1.00 0.00 C ATOM 113 CG PRO A 29 16.802 11.376 0.379 1.00 0.00 C ATOM 114 CD PRO A 29 16.626 10.256 1.409 1.00 0.00 C ATOM 0 HA PRO A 29 16.359 8.584 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.732 11.220 -1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.237 10.756 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.840 11.699 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.211 12.256 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.440 10.265 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.700 10.387 1.969 1.00 0.00 H new ATOM 122 N LYS A 30 18.640 9.541 -2.401 1.00 0.00 N ATOM 123 CA LYS A 30 19.999 9.726 -2.954 1.00 0.00 C ATOM 124 C LYS A 30 20.245 11.218 -3.171 1.00 0.00 C ATOM 125 O LYS A 30 19.301 11.936 -3.495 1.00 0.00 O ATOM 126 CB LYS A 30 20.103 8.930 -4.271 1.00 0.00 C ATOM 127 CG LYS A 30 21.467 8.319 -4.621 1.00 0.00 C ATOM 128 CD LYS A 30 21.953 7.273 -3.604 1.00 0.00 C ATOM 129 CE LYS A 30 23.074 6.429 -4.226 1.00 0.00 C ATOM 130 NZ LYS A 30 23.605 5.420 -3.268 1.00 0.00 N ATOM 0 H LYS A 30 17.913 9.727 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 30 20.761 9.356 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.371 8.123 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.810 9.590 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.406 7.855 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.206 9.117 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.315 7.768 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.125 6.631 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.697 5.923 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.883 7.083 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.360 4.870 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.988 5.904 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.838 4.780 -2.978 1.00 0.00 H new ATOM 144 N LEU A 31 21.485 11.689 -3.069 1.00 0.00 N ATOM 145 CA LEU A 31 21.825 13.122 -3.176 1.00 0.00 C ATOM 146 C LEU A 31 21.286 13.817 -4.451 1.00 0.00 C ATOM 147 O LEU A 31 20.601 14.830 -4.307 1.00 0.00 O ATOM 148 CB LEU A 31 23.348 13.292 -2.983 1.00 0.00 C ATOM 149 CG LEU A 31 23.863 14.745 -3.058 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.225 15.654 -2.005 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.377 14.761 -2.848 1.00 0.00 C ATOM 0 H LEU A 31 22.295 11.090 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 31 21.304 13.648 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.624 12.876 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.862 12.702 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 31 23.593 15.125 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.625 16.663 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.145 15.676 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.451 15.272 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.741 15.787 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.613 14.342 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.858 14.165 -3.623 1.00 0.00 H new ATOM 163 N PRO A 32 21.471 13.286 -5.679 1.00 0.00 N ATOM 164 CA PRO A 32 20.940 13.919 -6.894 1.00 0.00 C ATOM 165 C PRO A 32 19.404 13.889 -7.023 1.00 0.00 C ATOM 166 O PRO A 32 18.870 14.536 -7.921 1.00 0.00 O ATOM 167 CB PRO A 32 21.627 13.201 -8.059 1.00 0.00 C ATOM 168 CG PRO A 32 21.929 11.817 -7.497 1.00 0.00 C ATOM 169 CD PRO A 32 22.290 12.134 -6.049 1.00 0.00 C ATOM 0 HA PRO A 32 21.156 14.987 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.980 13.146 -8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.537 13.716 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.068 11.152 -7.567 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.750 11.332 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.085 11.283 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.352 12.361 -5.951 1.00 0.00 H new ATOM 177 N LEU A 33 18.689 13.185 -6.133 1.00 0.00 N ATOM 178 CA LEU A 33 17.225 13.201 -6.006 1.00 0.00 C ATOM 179 C LEU A 33 16.772 14.117 -4.862 1.00 0.00 C ATOM 180 O LEU A 33 15.873 14.925 -5.069 1.00 0.00 O ATOM 181 CB LEU A 33 16.693 11.751 -5.879 1.00 0.00 C ATOM 182 CG LEU A 33 15.944 11.224 -7.119 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.633 11.985 -7.333 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.800 11.301 -8.384 1.00 0.00 C ATOM 0 H LEU A 33 19.133 12.565 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 33 16.789 13.627 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.533 11.088 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.025 11.698 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 33 15.721 10.175 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.125 11.593 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.993 11.860 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.847 13.044 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.231 10.919 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.079 12.338 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.700 10.701 -8.251 1.00 0.00 H new ATOM 196 N LEU A 34 17.442 14.086 -3.701 1.00 0.00 N ATOM 197 CA LEU A 34 17.266 15.062 -2.609 1.00 0.00 C ATOM 198 C LEU A 34 17.311 16.494 -3.166 1.00 0.00 C ATOM 199 O LEU A 34 16.442 17.298 -2.850 1.00 0.00 O ATOM 200 CB LEU A 34 18.393 14.853 -1.588 1.00 0.00 C ATOM 201 CG LEU A 34 18.317 15.633 -0.253 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.712 15.493 0.373 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.026 17.122 -0.271 1.00 0.00 C ATOM 0 H LEU A 34 18.135 13.369 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 34 16.298 14.915 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.437 13.790 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.335 15.111 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 34 17.462 15.202 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.738 16.021 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.933 14.438 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.457 15.920 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.010 17.502 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.801 17.637 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.057 17.298 -0.739 1.00 0.00 H new ATOM 215 N LYS A 35 18.265 16.826 -4.049 1.00 0.00 N ATOM 216 CA LYS A 35 18.347 18.182 -4.613 1.00 0.00 C ATOM 217 C LYS A 35 17.160 18.545 -5.514 1.00 0.00 C ATOM 218 O LYS A 35 16.764 19.706 -5.506 1.00 0.00 O ATOM 219 CB LYS A 35 19.715 18.420 -5.275 1.00 0.00 C ATOM 220 CG LYS A 35 20.932 18.316 -4.339 1.00 0.00 C ATOM 221 CD LYS A 35 20.792 19.051 -2.997 1.00 0.00 C ATOM 222 CE LYS A 35 20.469 20.543 -3.137 1.00 0.00 C ATOM 223 NZ LYS A 35 20.533 21.261 -1.831 1.00 0.00 N ATOM 0 H LYS A 35 18.982 16.183 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 35 18.269 18.879 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.838 17.699 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.712 19.411 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.127 17.262 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.805 18.708 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.007 18.573 -2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.720 18.941 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.170 21.000 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.473 20.658 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.647 22.281 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.655 21.094 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.342 20.909 -1.281 1.00 0.00 H new ATOM 237 N ILE A 36 16.518 17.579 -6.185 1.00 0.00 N ATOM 238 CA ILE A 36 15.227 17.808 -6.868 1.00 0.00 C ATOM 239 C ILE A 36 14.166 18.146 -5.817 1.00 0.00 C ATOM 240 O ILE A 36 13.375 19.064 -6.000 1.00 0.00 O ATOM 241 CB ILE A 36 14.753 16.591 -7.691 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.847 16.020 -8.604 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.519 16.957 -8.533 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.563 17.015 -9.518 1.00 0.00 C ATOM 0 H ILE A 36 16.870 16.626 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 36 15.371 18.631 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 36 14.495 15.816 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.595 15.534 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.401 15.245 -9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.199 16.087 -9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.711 17.275 -7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.772 17.768 -9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.312 16.490 -10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.838 17.486 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.051 17.779 -8.913 1.00 0.00 H new ATOM 256 N LEU A 37 14.192 17.432 -4.688 1.00 0.00 N ATOM 257 CA LEU A 37 13.230 17.554 -3.594 1.00 0.00 C ATOM 258 C LEU A 37 13.328 18.925 -2.905 1.00 0.00 C ATOM 259 O LEU A 37 12.328 19.639 -2.826 1.00 0.00 O ATOM 260 CB LEU A 37 13.295 16.296 -2.696 1.00 0.00 C ATOM 261 CG LEU A 37 12.941 15.015 -3.494 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.341 13.719 -2.797 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.448 14.918 -3.787 1.00 0.00 C ATOM 0 H LEU A 37 14.909 16.730 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 37 12.207 17.561 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.295 16.199 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.605 16.408 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 37 13.517 15.118 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.059 12.869 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.419 13.710 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.831 13.650 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.246 14.005 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.894 14.898 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.136 15.781 -4.374 1.00 0.00 H new ATOM 275 N HIS A 38 14.533 19.372 -2.535 1.00 0.00 N ATOM 276 CA HIS A 38 14.780 20.753 -2.070 1.00 0.00 C ATOM 277 C HIS A 38 14.346 21.789 -3.123 1.00 0.00 C ATOM 278 O HIS A 38 13.617 22.725 -2.799 1.00 0.00 O ATOM 279 CB HIS A 38 16.287 20.984 -1.839 1.00 0.00 C ATOM 280 CG HIS A 38 16.837 20.601 -0.495 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.099 20.977 -0.024 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.221 19.831 0.442 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.210 20.429 1.198 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.100 19.735 1.494 1.00 0.00 N ATOM 0 H HIS A 38 15.370 18.790 -2.547 1.00 0.00 H new ATOM 0 HA HIS A 38 14.208 20.874 -1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.835 20.429 -2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.497 22.041 -2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.240 19.385 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.067 20.532 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.936 19.220 2.359 1.00 0.00 H new ATOM 292 N ALA A 39 14.769 21.625 -4.387 1.00 0.00 N ATOM 293 CA ALA A 39 14.496 22.592 -5.462 1.00 0.00 C ATOM 294 C ALA A 39 12.998 22.708 -5.811 1.00 0.00 C ATOM 295 O ALA A 39 12.529 23.782 -6.193 1.00 0.00 O ATOM 296 CB ALA A 39 15.327 22.210 -6.692 1.00 0.00 C ATOM 0 H ALA A 39 15.311 20.817 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 39 14.786 23.581 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.134 22.920 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.386 22.231 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.053 21.207 -7.019 1.00 0.00 H new ATOM 302 N ALA A 40 12.235 21.626 -5.631 1.00 0.00 N ATOM 303 CA ALA A 40 10.771 21.607 -5.707 1.00 0.00 C ATOM 304 C ALA A 40 10.047 22.292 -4.525 1.00 0.00 C ATOM 305 O ALA A 40 8.818 22.400 -4.553 1.00 0.00 O ATOM 306 CB ALA A 40 10.329 20.150 -5.804 1.00 0.00 C ATOM 0 H ALA A 40 12.632 20.710 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 40 10.490 22.189 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.242 20.103 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.760 19.698 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.669 19.607 -4.922 1.00 0.00 H new ATOM 312 N GLY A 41 10.779 22.727 -3.492 1.00 0.00 N ATOM 313 CA GLY A 41 10.268 23.471 -2.333 1.00 0.00 C ATOM 314 C GLY A 41 10.567 22.845 -0.962 1.00 0.00 C ATOM 315 O GLY A 41 10.183 23.431 0.055 1.00 0.00 O ATOM 0 H GLY A 41 11.784 22.564 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.689 24.476 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.188 23.576 -2.438 1.00 0.00 H new ATOM 319 N ALA A 42 11.225 21.680 -0.902 1.00 0.00 N ATOM 320 CA ALA A 42 11.505 20.975 0.352 1.00 0.00 C ATOM 321 C ALA A 42 12.749 21.493 1.121 1.00 0.00 C ATOM 322 O ALA A 42 13.326 22.545 0.836 1.00 0.00 O ATOM 323 CB ALA A 42 11.546 19.459 0.087 1.00 0.00 C ATOM 0 H ALA A 42 11.580 21.199 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 42 10.685 21.193 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.754 18.932 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.584 19.132 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.329 19.237 -0.638 1.00 0.00 H new ATOM 329 N GLN A 43 13.122 20.712 2.134 1.00 0.00 N ATOM 330 CA GLN A 43 14.134 20.937 3.176 1.00 0.00 C ATOM 331 C GLN A 43 14.424 19.587 3.876 1.00 0.00 C ATOM 332 O GLN A 43 13.525 18.750 3.995 1.00 0.00 O ATOM 333 CB GLN A 43 13.605 21.983 4.179 1.00 0.00 C ATOM 334 CG GLN A 43 14.649 22.415 5.222 1.00 0.00 C ATOM 335 CD GLN A 43 14.141 23.568 6.089 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.455 24.732 5.873 1.00 0.00 O ATOM 337 NE2 GLN A 43 13.332 23.302 7.095 1.00 0.00 N ATOM 0 H GLN A 43 12.675 19.804 2.262 1.00 0.00 H new ATOM 0 HA GLN A 43 15.060 21.318 2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.266 22.862 3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.736 21.574 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.901 21.566 5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.566 22.717 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.060 22.338 7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.978 24.060 7.679 1.00 0.00 H new ATOM 346 N GLY A 44 15.662 19.358 4.332 1.00 0.00 N ATOM 347 CA GLY A 44 16.132 18.049 4.814 1.00 0.00 C ATOM 348 C GLY A 44 16.203 17.004 3.692 1.00 0.00 C ATOM 349 O GLY A 44 16.024 17.326 2.521 1.00 0.00 O ATOM 0 H GLY A 44 16.376 20.085 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.118 18.163 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.464 17.692 5.598 1.00 0.00 H new ATOM 353 N GLU A 45 16.466 15.746 4.034 1.00 0.00 N ATOM 354 CA GLU A 45 16.412 14.600 3.119 1.00 0.00 C ATOM 355 C GLU A 45 15.345 13.566 3.503 1.00 0.00 C ATOM 356 O GLU A 45 15.424 12.417 3.085 1.00 0.00 O ATOM 357 CB GLU A 45 17.820 14.019 2.923 1.00 0.00 C ATOM 358 CG GLU A 45 18.355 13.225 4.122 1.00 0.00 C ATOM 359 CD GLU A 45 19.836 12.853 3.917 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.126 11.798 3.303 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.725 13.608 4.384 1.00 0.00 O ATOM 0 H GLU A 45 16.731 15.483 4.983 1.00 0.00 H new ATOM 0 HA GLU A 45 16.075 14.954 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.812 13.369 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.509 14.836 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.247 13.815 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.764 12.319 4.257 1.00 0.00 H new ATOM 368 N MET A 46 14.345 13.943 4.307 1.00 0.00 N ATOM 369 CA MET A 46 13.307 13.001 4.760 1.00 0.00 C ATOM 370 C MET A 46 11.889 13.479 4.398 1.00 0.00 C ATOM 371 O MET A 46 11.309 14.348 5.050 1.00 0.00 O ATOM 372 CB MET A 46 13.437 12.723 6.265 1.00 0.00 C ATOM 373 CG MET A 46 14.691 11.896 6.580 1.00 0.00 C ATOM 374 SD MET A 46 14.710 11.140 8.230 1.00 0.00 S ATOM 375 CE MET A 46 13.422 9.875 8.019 1.00 0.00 C ATOM 0 H MET A 46 14.230 14.893 4.659 1.00 0.00 H new ATOM 0 HA MET A 46 13.468 12.064 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.477 13.667 6.808 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.552 12.191 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.786 11.108 5.833 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.567 12.537 6.480 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.496 9.142 8.823 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.440 10.347 8.048 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.556 9.376 7.059 1.00 0.00 H new ATOM 385 N PHE A 47 11.333 12.859 3.357 1.00 0.00 N ATOM 386 CA PHE A 47 9.986 13.065 2.797 1.00 0.00 C ATOM 387 C PHE A 47 9.510 11.729 2.193 1.00 0.00 C ATOM 388 O PHE A 47 10.231 11.161 1.383 1.00 0.00 O ATOM 389 CB PHE A 47 10.019 14.190 1.730 1.00 0.00 C ATOM 390 CG PHE A 47 11.395 14.713 1.334 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.324 13.857 0.712 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.773 16.032 1.648 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.624 14.307 0.428 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.062 16.493 1.324 1.00 0.00 C ATOM 395 CZ PHE A 47 13.984 15.636 0.704 1.00 0.00 C ATOM 0 H PHE A 47 11.846 12.145 2.840 1.00 0.00 H new ATOM 0 HA PHE A 47 9.289 13.377 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.522 13.823 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.429 15.028 2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.036 12.849 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.072 16.691 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.347 13.630 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.343 17.510 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.967 15.997 0.440 1.00 0.00 H new ATOM 405 N THR A 48 8.353 11.192 2.597 1.00 0.00 N ATOM 406 CA THR A 48 7.848 9.840 2.213 1.00 0.00 C ATOM 407 C THR A 48 7.346 9.784 0.761 1.00 0.00 C ATOM 408 O THR A 48 7.301 10.813 0.099 1.00 0.00 O ATOM 409 CB THR A 48 6.753 9.374 3.204 1.00 0.00 C ATOM 410 OG1 THR A 48 5.983 10.478 3.634 1.00 0.00 O ATOM 411 CG2 THR A 48 7.369 8.709 4.439 1.00 0.00 C ATOM 0 H THR A 48 7.714 11.688 3.218 1.00 0.00 H new ATOM 0 HA THR A 48 8.691 9.152 2.271 1.00 0.00 H new ATOM 0 HB THR A 48 6.125 8.653 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.293 10.172 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.575 8.393 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.952 7.840 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.019 9.420 4.949 1.00 0.00 H new ATOM 419 N VAL A 49 6.935 8.617 0.225 1.00 0.00 N ATOM 420 CA VAL A 49 6.510 8.482 -1.202 1.00 0.00 C ATOM 421 C VAL A 49 5.415 9.483 -1.596 1.00 0.00 C ATOM 422 O VAL A 49 5.453 10.061 -2.681 1.00 0.00 O ATOM 423 CB VAL A 49 6.088 7.031 -1.544 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.826 6.540 -0.825 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.912 6.822 -3.052 1.00 0.00 C ATOM 0 H VAL A 49 6.885 7.746 0.753 1.00 0.00 H new ATOM 0 HA VAL A 49 7.389 8.725 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 49 6.920 6.431 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.610 5.515 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.985 6.574 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.985 7.181 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.616 5.791 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.141 7.496 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.853 7.030 -3.560 1.00 0.00 H new ATOM 435 N LYS A 50 4.503 9.758 -0.657 1.00 0.00 N ATOM 436 CA LYS A 50 3.428 10.758 -0.766 1.00 0.00 C ATOM 437 C LYS A 50 3.974 12.170 -1.019 1.00 0.00 C ATOM 438 O LYS A 50 3.460 12.903 -1.861 1.00 0.00 O ATOM 439 CB LYS A 50 2.619 10.735 0.543 1.00 0.00 C ATOM 440 CG LYS A 50 1.896 9.398 0.789 1.00 0.00 C ATOM 441 CD LYS A 50 1.163 9.356 2.140 1.00 0.00 C ATOM 442 CE LYS A 50 2.130 9.390 3.337 1.00 0.00 C ATOM 443 NZ LYS A 50 1.398 9.240 4.627 1.00 0.00 N ATOM 0 H LYS A 50 4.491 9.271 0.239 1.00 0.00 H new ATOM 0 HA LYS A 50 2.799 10.504 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.288 10.937 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.884 11.539 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.179 9.225 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.621 8.585 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.479 10.203 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.557 8.452 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.864 8.590 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.681 10.330 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.075 9.267 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.715 10.017 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.892 8.331 4.636 1.00 0.00 H new ATOM 457 N GLU A 51 5.056 12.518 -0.323 1.00 0.00 N ATOM 458 CA GLU A 51 5.761 13.798 -0.439 1.00 0.00 C ATOM 459 C GLU A 51 6.677 13.827 -1.673 1.00 0.00 C ATOM 460 O GLU A 51 6.648 14.789 -2.433 1.00 0.00 O ATOM 461 CB GLU A 51 6.571 14.050 0.845 1.00 0.00 C ATOM 462 CG GLU A 51 5.741 14.095 2.136 1.00 0.00 C ATOM 463 CD GLU A 51 4.703 15.235 2.124 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.060 16.390 2.462 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.518 14.985 1.792 1.00 0.00 O ATOM 0 H GLU A 51 5.483 11.895 0.363 1.00 0.00 H new ATOM 0 HA GLU A 51 5.024 14.591 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.324 13.267 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.105 14.995 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.229 13.142 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.407 14.222 2.989 1.00 0.00 H new ATOM 472 N VAL A 52 7.442 12.758 -1.927 1.00 0.00 N ATOM 473 CA VAL A 52 8.340 12.619 -3.091 1.00 0.00 C ATOM 474 C VAL A 52 7.578 12.803 -4.400 1.00 0.00 C ATOM 475 O VAL A 52 7.979 13.620 -5.225 1.00 0.00 O ATOM 476 CB VAL A 52 9.058 11.252 -3.074 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.780 10.902 -4.382 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.100 11.220 -1.954 1.00 0.00 C ATOM 0 H VAL A 52 7.457 11.942 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 52 9.093 13.404 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 52 8.266 10.518 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.257 9.927 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.059 10.873 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.537 11.657 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.601 10.252 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.835 12.008 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.608 11.377 -0.994 1.00 0.00 H new ATOM 488 N MET A 53 6.461 12.095 -4.590 1.00 0.00 N ATOM 489 CA MET A 53 5.670 12.214 -5.819 1.00 0.00 C ATOM 490 C MET A 53 5.020 13.594 -5.938 1.00 0.00 C ATOM 491 O MET A 53 5.038 14.174 -7.021 1.00 0.00 O ATOM 492 CB MET A 53 4.617 11.099 -5.884 1.00 0.00 C ATOM 493 CG MET A 53 5.254 9.714 -6.051 1.00 0.00 C ATOM 494 SD MET A 53 6.360 9.491 -7.480 1.00 0.00 S ATOM 495 CE MET A 53 5.226 9.836 -8.853 1.00 0.00 C ATOM 0 H MET A 53 6.084 11.435 -3.910 1.00 0.00 H new ATOM 0 HA MET A 53 6.345 12.102 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.017 11.114 -4.974 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.939 11.289 -6.716 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.817 9.487 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.454 8.977 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.790 9.897 -9.784 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.489 9.036 -8.926 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.717 10.783 -8.675 1.00 0.00 H new ATOM 505 N HIS A 54 4.535 14.170 -4.832 1.00 0.00 N ATOM 506 CA HIS A 54 4.039 15.556 -4.807 1.00 0.00 C ATOM 507 C HIS A 54 5.110 16.539 -5.294 1.00 0.00 C ATOM 508 O HIS A 54 4.885 17.263 -6.263 1.00 0.00 O ATOM 509 CB HIS A 54 3.553 15.918 -3.396 1.00 0.00 C ATOM 510 CG HIS A 54 3.218 17.381 -3.230 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.086 18.022 -3.742 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.993 18.299 -2.581 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.201 19.312 -3.381 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.333 19.505 -2.680 1.00 0.00 N ATOM 0 H HIS A 54 4.474 13.694 -3.932 1.00 0.00 H new ATOM 0 HA HIS A 54 3.195 15.632 -5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.671 15.323 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.323 15.646 -2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.936 18.116 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.485 20.085 -3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.649 20.392 -2.289 1.00 0.00 H new ATOM 522 N TYR A 55 6.301 16.511 -4.689 1.00 0.00 N ATOM 523 CA TYR A 55 7.431 17.359 -5.077 1.00 0.00 C ATOM 524 C TYR A 55 7.908 17.105 -6.516 1.00 0.00 C ATOM 525 O TYR A 55 8.239 18.064 -7.210 1.00 0.00 O ATOM 526 CB TYR A 55 8.586 17.182 -4.078 1.00 0.00 C ATOM 527 CG TYR A 55 8.385 17.856 -2.729 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.144 19.243 -2.658 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.472 17.104 -1.540 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.955 19.871 -1.410 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.286 17.726 -0.290 1.00 0.00 C ATOM 532 CZ TYR A 55 8.022 19.111 -0.221 1.00 0.00 C ATOM 533 OH TYR A 55 7.851 19.707 0.992 1.00 0.00 O ATOM 0 H TYR A 55 6.510 15.891 -3.906 1.00 0.00 H new ATOM 0 HA TYR A 55 7.082 18.391 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.743 16.116 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.498 17.573 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.104 19.828 -3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.682 16.046 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.759 20.932 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.345 17.143 0.617 1.00 0.00 H new ATOM 0 HH TYR A 55 7.928 19.035 1.701 1.00 0.00 H new ATOM 543 N LEU A 56 7.883 15.862 -7.012 1.00 0.00 N ATOM 544 CA LEU A 56 8.193 15.552 -8.413 1.00 0.00 C ATOM 545 C LEU A 56 7.177 16.209 -9.361 1.00 0.00 C ATOM 546 O LEU A 56 7.571 16.846 -10.338 1.00 0.00 O ATOM 547 CB LEU A 56 8.231 14.022 -8.604 1.00 0.00 C ATOM 548 CG LEU A 56 9.511 13.341 -8.087 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.319 11.825 -8.055 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.704 13.624 -8.994 1.00 0.00 C ATOM 0 H LEU A 56 7.647 15.042 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 56 9.173 15.961 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.372 13.585 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.120 13.799 -9.665 1.00 0.00 H new ATOM 0 HG LEU A 56 9.703 13.740 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.229 11.351 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.489 11.577 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.102 11.464 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.589 13.127 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.496 13.249 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.881 14.699 -9.038 1.00 0.00 H new ATOM 562 N GLY A 57 5.883 16.130 -9.038 1.00 0.00 N ATOM 563 CA GLY A 57 4.817 16.789 -9.792 1.00 0.00 C ATOM 564 C GLY A 57 4.968 18.312 -9.798 1.00 0.00 C ATOM 565 O GLY A 57 4.973 18.922 -10.872 1.00 0.00 O ATOM 0 H GLY A 57 5.544 15.600 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.820 16.422 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.852 16.523 -9.361 1.00 0.00 H new ATOM 569 N GLN A 58 5.211 18.915 -8.623 1.00 0.00 N ATOM 570 CA GLN A 58 5.508 20.351 -8.519 1.00 0.00 C ATOM 571 C GLN A 58 6.692 20.720 -9.406 1.00 0.00 C ATOM 572 O GLN A 58 6.567 21.609 -10.233 1.00 0.00 O ATOM 573 CB GLN A 58 5.839 20.821 -7.090 1.00 0.00 C ATOM 574 CG GLN A 58 4.747 20.580 -6.044 1.00 0.00 C ATOM 575 CD GLN A 58 4.729 21.651 -4.951 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.689 22.191 -4.596 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.855 22.008 -4.364 1.00 0.00 N ATOM 0 H GLN A 58 5.207 18.426 -7.728 1.00 0.00 H new ATOM 0 HA GLN A 58 4.593 20.849 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.748 20.317 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.059 21.888 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.776 20.555 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.897 19.602 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.735 21.573 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.846 22.719 -3.633 1.00 0.00 H new ATOM 586 N TYR A 59 7.822 20.025 -9.279 1.00 0.00 N ATOM 587 CA TYR A 59 9.045 20.325 -10.030 1.00 0.00 C ATOM 588 C TYR A 59 8.835 20.275 -11.543 1.00 0.00 C ATOM 589 O TYR A 59 9.232 21.203 -12.245 1.00 0.00 O ATOM 590 CB TYR A 59 10.135 19.348 -9.600 1.00 0.00 C ATOM 591 CG TYR A 59 11.511 19.645 -10.166 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.900 19.101 -11.406 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.401 20.472 -9.452 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.171 19.393 -11.940 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.675 20.759 -9.979 1.00 0.00 C ATOM 596 CZ TYR A 59 14.062 20.226 -11.227 1.00 0.00 C ATOM 597 OH TYR A 59 15.290 20.526 -11.732 1.00 0.00 O ATOM 0 H TYR A 59 7.917 19.230 -8.647 1.00 0.00 H new ATOM 0 HA TYR A 59 9.345 21.348 -9.802 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.197 19.349 -8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.842 18.342 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.222 18.459 -11.949 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.106 20.886 -8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.464 18.980 -12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.357 21.388 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 59 15.766 21.112 -11.107 1.00 0.00 H new ATOM 607 N ILE A 60 8.144 19.247 -12.043 1.00 0.00 N ATOM 608 CA ILE A 60 7.818 19.112 -13.469 1.00 0.00 C ATOM 609 C ILE A 60 6.945 20.294 -13.925 1.00 0.00 C ATOM 610 O ILE A 60 7.276 20.953 -14.917 1.00 0.00 O ATOM 611 CB ILE A 60 7.201 17.713 -13.727 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.276 16.620 -13.501 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.628 17.545 -15.146 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.706 15.201 -13.408 1.00 0.00 C ATOM 0 H ILE A 60 7.793 18.481 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 60 8.717 19.163 -14.083 1.00 0.00 H new ATOM 0 HB ILE A 60 6.373 17.612 -13.025 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.997 16.659 -14.317 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.821 16.843 -12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.213 16.543 -15.255 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.843 18.283 -15.311 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.422 17.691 -15.879 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.519 14.492 -13.250 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.007 15.144 -12.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.186 14.956 -14.334 1.00 0.00 H new ATOM 626 N MET A 61 5.901 20.648 -13.165 1.00 0.00 N ATOM 627 CA MET A 61 5.064 21.820 -13.473 1.00 0.00 C ATOM 628 C MET A 61 5.820 23.161 -13.361 1.00 0.00 C ATOM 629 O MET A 61 5.587 24.059 -14.169 1.00 0.00 O ATOM 630 CB MET A 61 3.821 21.842 -12.565 1.00 0.00 C ATOM 631 CG MET A 61 2.856 20.660 -12.748 1.00 0.00 C ATOM 632 SD MET A 61 2.089 20.472 -14.384 1.00 0.00 S ATOM 633 CE MET A 61 3.243 19.303 -15.151 1.00 0.00 C ATOM 0 H MET A 61 5.613 20.139 -12.329 1.00 0.00 H new ATOM 0 HA MET A 61 4.764 21.716 -14.516 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.150 21.864 -11.526 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.275 22.768 -12.746 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.397 19.742 -12.519 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.060 20.754 -12.009 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.868 19.012 -16.132 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.219 19.775 -15.261 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.336 18.418 -14.522 1.00 0.00 H new ATOM 643 N VAL A 62 6.730 23.311 -12.390 1.00 0.00 N ATOM 644 CA VAL A 62 7.438 24.556 -12.067 1.00 0.00 C ATOM 645 C VAL A 62 8.586 24.843 -13.039 1.00 0.00 C ATOM 646 O VAL A 62 8.736 25.978 -13.495 1.00 0.00 O ATOM 647 CB VAL A 62 7.872 24.472 -10.589 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.954 25.451 -10.166 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.663 24.706 -9.676 1.00 0.00 C ATOM 0 H VAL A 62 7.004 22.538 -11.784 1.00 0.00 H new ATOM 0 HA VAL A 62 6.779 25.415 -12.191 1.00 0.00 H new ATOM 0 HB VAL A 62 8.293 23.471 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.183 25.306 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.852 25.279 -10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.604 26.471 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.977 24.645 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.245 25.693 -9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.907 23.946 -9.872 1.00 0.00 H new ATOM 659 N LYS A 63 9.359 23.813 -13.408 1.00 0.00 N ATOM 660 CA LYS A 63 10.385 23.887 -14.468 1.00 0.00 C ATOM 661 C LYS A 63 9.798 23.713 -15.885 1.00 0.00 C ATOM 662 O LYS A 63 10.478 24.058 -16.850 1.00 0.00 O ATOM 663 CB LYS A 63 11.546 22.908 -14.176 1.00 0.00 C ATOM 664 CG LYS A 63 12.667 23.433 -13.262 1.00 0.00 C ATOM 665 CD LYS A 63 12.227 23.977 -11.898 1.00 0.00 C ATOM 666 CE LYS A 63 13.472 24.355 -11.079 1.00 0.00 C ATOM 667 NZ LYS A 63 13.124 25.058 -9.810 1.00 0.00 N ATOM 0 H LYS A 63 9.292 22.891 -12.976 1.00 0.00 H new ATOM 0 HA LYS A 63 10.796 24.896 -14.453 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.129 22.008 -13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.990 22.611 -15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.380 22.626 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.199 24.224 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.586 24.848 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.641 23.228 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.040 23.454 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.119 24.994 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.995 25.292 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.605 25.932 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.528 24.440 -9.223 1.00 0.00 H new ATOM 681 N GLN A 64 8.543 23.249 -16.024 1.00 0.00 N ATOM 682 CA GLN A 64 7.805 23.132 -17.298 1.00 0.00 C ATOM 683 C GLN A 64 8.331 22.004 -18.201 1.00 0.00 C ATOM 684 O GLN A 64 8.633 22.176 -19.383 1.00 0.00 O ATOM 685 CB GLN A 64 7.598 24.489 -17.999 1.00 0.00 C ATOM 686 CG GLN A 64 6.992 25.525 -17.040 1.00 0.00 C ATOM 687 CD GLN A 64 6.659 26.868 -17.696 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.882 27.114 -18.877 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.108 27.803 -16.949 1.00 0.00 N ATOM 0 H GLN A 64 7.994 22.933 -15.224 1.00 0.00 H new ATOM 0 HA GLN A 64 6.796 22.810 -17.042 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.553 24.855 -18.377 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.942 24.360 -18.860 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.083 25.111 -16.603 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.690 25.697 -16.220 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.914 27.620 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.876 28.709 -17.355 1.00 0.00 H new ATOM 698 N LEU A 65 8.416 20.819 -17.594 1.00 0.00 N ATOM 699 CA LEU A 65 8.925 19.562 -18.151 1.00 0.00 C ATOM 700 C LEU A 65 7.783 18.707 -18.732 1.00 0.00 C ATOM 701 O LEU A 65 7.734 17.502 -18.522 1.00 0.00 O ATOM 702 CB LEU A 65 9.712 18.850 -17.028 1.00 0.00 C ATOM 703 CG LEU A 65 11.173 19.289 -16.817 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.437 20.776 -16.974 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.631 18.890 -15.411 1.00 0.00 C ATOM 0 H LEU A 65 8.108 20.703 -16.628 1.00 0.00 H new ATOM 0 HA LEU A 65 9.593 19.745 -18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.175 18.997 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.706 17.780 -17.235 1.00 0.00 H new ATOM 0 HG LEU A 65 11.728 18.783 -17.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.495 20.978 -16.805 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.164 21.090 -17.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.842 21.330 -16.248 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.665 19.201 -15.263 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.996 19.376 -14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.558 17.808 -15.298 1.00 0.00 H new ATOM 717 N TYR A 66 6.807 19.314 -19.405 1.00 0.00 N ATOM 718 CA TYR A 66 5.614 18.619 -19.913 1.00 0.00 C ATOM 719 C TYR A 66 5.042 19.272 -21.190 1.00 0.00 C ATOM 720 O TYR A 66 5.413 20.396 -21.539 1.00 0.00 O ATOM 721 CB TYR A 66 4.552 18.588 -18.796 1.00 0.00 C ATOM 722 CG TYR A 66 3.937 19.939 -18.449 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.636 20.871 -17.654 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.641 20.251 -18.902 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.047 22.111 -17.328 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.051 21.489 -18.586 1.00 0.00 C ATOM 727 CZ TYR A 66 2.753 22.425 -17.798 1.00 0.00 C ATOM 728 OH TYR A 66 2.171 23.620 -17.495 1.00 0.00 O ATOM 0 H TYR A 66 6.817 20.312 -19.618 1.00 0.00 H new ATOM 0 HA TYR A 66 5.902 17.606 -20.194 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.753 17.909 -19.094 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.005 18.171 -17.897 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.626 20.635 -17.293 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.095 19.534 -19.497 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.586 22.821 -16.718 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.060 21.723 -18.947 1.00 0.00 H new ATOM 0 HH TYR A 66 1.281 23.664 -17.904 1.00 0.00 H new ATOM 738 N ASP A 67 4.123 18.588 -21.884 1.00 0.00 N ATOM 739 CA ASP A 67 3.371 19.158 -23.016 1.00 0.00 C ATOM 740 C ASP A 67 2.071 19.834 -22.549 1.00 0.00 C ATOM 741 O ASP A 67 1.298 19.254 -21.787 1.00 0.00 O ATOM 742 CB ASP A 67 3.055 18.077 -24.053 1.00 0.00 C ATOM 743 CG ASP A 67 2.424 18.689 -25.313 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.209 18.992 -25.284 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.151 18.895 -26.315 1.00 0.00 O ATOM 0 H ASP A 67 3.877 17.620 -21.677 1.00 0.00 H new ATOM 0 HA ASP A 67 4.002 19.919 -23.475 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.969 17.547 -24.321 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.375 17.342 -23.622 1.00 0.00 H new ATOM 750 N GLN A 68 1.786 21.046 -23.030 1.00 0.00 N ATOM 751 CA GLN A 68 0.651 21.845 -22.575 1.00 0.00 C ATOM 752 C GLN A 68 -0.745 21.297 -22.936 1.00 0.00 C ATOM 753 O GLN A 68 -1.730 21.719 -22.325 1.00 0.00 O ATOM 754 CB GLN A 68 0.847 23.307 -23.020 1.00 0.00 C ATOM 755 CG GLN A 68 0.677 23.592 -24.529 1.00 0.00 C ATOM 756 CD GLN A 68 1.841 23.157 -25.429 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.917 22.762 -24.994 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.677 23.226 -26.733 1.00 0.00 N ATOM 0 H GLN A 68 2.343 21.503 -23.753 1.00 0.00 H new ATOM 0 HA GLN A 68 0.652 21.784 -21.487 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.139 23.929 -22.472 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.846 23.624 -22.722 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.229 23.093 -24.873 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.521 24.663 -24.661 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.791 23.552 -27.119 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.436 22.954 -27.358 1.00 0.00 H new ATOM 767 N GLN A 69 -0.844 20.347 -23.872 1.00 0.00 N ATOM 768 CA GLN A 69 -2.078 19.631 -24.217 1.00 0.00 C ATOM 769 C GLN A 69 -2.012 18.140 -23.832 1.00 0.00 C ATOM 770 O GLN A 69 -3.028 17.574 -23.422 1.00 0.00 O ATOM 771 CB GLN A 69 -2.369 19.842 -25.713 1.00 0.00 C ATOM 772 CG GLN A 69 -3.694 19.235 -26.209 1.00 0.00 C ATOM 773 CD GLN A 69 -4.931 19.771 -25.486 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.560 20.738 -25.899 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.328 19.171 -24.382 1.00 0.00 N ATOM 0 H GLN A 69 -0.043 20.046 -24.428 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.905 20.039 -23.636 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.377 20.912 -25.919 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.551 19.413 -26.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.795 19.432 -27.276 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.655 18.153 -26.087 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.814 18.365 -24.027 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.149 19.513 -23.883 1.00 0.00 H new ATOM 784 N GLU A 70 -0.827 17.525 -23.864 1.00 0.00 N ATOM 785 CA GLU A 70 -0.564 16.179 -23.328 1.00 0.00 C ATOM 786 C GLU A 70 0.036 16.299 -21.914 1.00 0.00 C ATOM 787 O GLU A 70 1.173 15.911 -21.658 1.00 0.00 O ATOM 788 CB GLU A 70 0.276 15.329 -24.307 1.00 0.00 C ATOM 789 CG GLU A 70 -0.543 14.649 -25.414 1.00 0.00 C ATOM 790 CD GLU A 70 -1.063 15.616 -26.495 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.262 16.073 -27.347 1.00 0.00 O ATOM 792 OE2 GLU A 70 -2.292 15.863 -26.551 1.00 0.00 O ATOM 0 H GLU A 70 0.001 17.958 -24.274 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.501 15.631 -23.229 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.030 15.966 -24.768 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.808 14.564 -23.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.073 13.886 -25.890 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.392 14.137 -24.961 1.00 0.00 H new ATOM 799 N GLN A 71 -0.732 16.870 -20.976 1.00 0.00 N ATOM 800 CA GLN A 71 -0.229 17.244 -19.641 1.00 0.00 C ATOM 801 C GLN A 71 0.153 16.031 -18.770 1.00 0.00 C ATOM 802 O GLN A 71 0.988 16.146 -17.870 1.00 0.00 O ATOM 803 CB GLN A 71 -1.252 18.146 -18.931 1.00 0.00 C ATOM 804 CG GLN A 71 -1.491 19.465 -19.693 1.00 0.00 C ATOM 805 CD GLN A 71 -2.464 20.423 -19.002 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.917 20.230 -17.879 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.827 21.508 -19.655 1.00 0.00 N ATOM 0 H GLN A 71 -1.719 17.087 -21.118 1.00 0.00 H new ATOM 0 HA GLN A 71 0.698 17.798 -19.790 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.196 17.611 -18.828 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.900 18.369 -17.924 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.535 19.971 -19.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.872 19.233 -20.687 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.461 21.687 -20.590 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.474 22.169 -19.225 1.00 0.00 H new ATOM 816 N HIS A 72 -0.406 14.857 -19.082 1.00 0.00 N ATOM 817 CA HIS A 72 -0.042 13.556 -18.504 1.00 0.00 C ATOM 818 C HIS A 72 1.291 12.991 -19.033 1.00 0.00 C ATOM 819 O HIS A 72 1.826 12.044 -18.451 1.00 0.00 O ATOM 820 CB HIS A 72 -1.193 12.569 -18.749 1.00 0.00 C ATOM 821 CG HIS A 72 -1.716 12.527 -20.169 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.943 12.414 -21.329 1.00 0.00 N ATOM 823 CD2 HIS A 72 -3.031 12.604 -20.526 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.811 12.413 -22.355 1.00 0.00 C ATOM 825 NE2 HIS A 72 -3.071 12.532 -21.902 1.00 0.00 N ATOM 0 H HIS A 72 -1.154 14.783 -19.771 1.00 0.00 H new ATOM 0 HA HIS A 72 0.116 13.704 -17.436 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.858 11.569 -18.473 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.017 12.824 -18.083 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.876 12.702 -19.860 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.535 12.329 -23.396 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.912 12.564 -22.478 1.00 0.00 H new ATOM 833 N MET A 73 1.841 13.576 -20.103 1.00 0.00 N ATOM 834 CA MET A 73 3.105 13.206 -20.733 1.00 0.00 C ATOM 835 C MET A 73 4.220 14.170 -20.302 1.00 0.00 C ATOM 836 O MET A 73 4.096 15.395 -20.409 1.00 0.00 O ATOM 837 CB MET A 73 2.929 13.187 -22.260 1.00 0.00 C ATOM 838 CG MET A 73 4.104 12.544 -22.965 1.00 0.00 C ATOM 839 SD MET A 73 4.205 10.763 -22.713 1.00 0.00 S ATOM 840 CE MET A 73 5.877 10.638 -23.340 1.00 0.00 C ATOM 0 H MET A 73 1.390 14.360 -20.574 1.00 0.00 H new ATOM 0 HA MET A 73 3.397 12.207 -20.410 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.017 12.646 -22.512 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.805 14.208 -22.622 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.033 12.749 -24.033 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.026 13.006 -22.613 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.958 9.766 -23.989 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.121 11.536 -23.907 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.572 10.535 -22.506 1.00 0.00 H new ATOM 850 N VAL A 74 5.331 13.615 -19.823 1.00 0.00 N ATOM 851 CA VAL A 74 6.480 14.357 -19.299 1.00 0.00 C ATOM 852 C VAL A 74 7.549 14.450 -20.386 1.00 0.00 C ATOM 853 O VAL A 74 7.806 13.484 -21.104 1.00 0.00 O ATOM 854 CB VAL A 74 6.989 13.709 -17.995 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.188 14.454 -17.403 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.876 13.718 -16.936 1.00 0.00 C ATOM 0 H VAL A 74 5.463 12.604 -19.787 1.00 0.00 H new ATOM 0 HA VAL A 74 6.192 15.375 -19.036 1.00 0.00 H new ATOM 0 HB VAL A 74 7.291 12.694 -18.252 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.508 13.958 -16.487 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.008 14.453 -18.121 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.903 15.482 -17.179 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.243 13.259 -16.018 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.576 14.746 -16.732 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.018 13.156 -17.305 1.00 0.00 H new ATOM 866 N TYR A 75 8.161 15.625 -20.496 1.00 0.00 N ATOM 867 CA TYR A 75 9.151 16.024 -21.492 1.00 0.00 C ATOM 868 C TYR A 75 10.304 16.783 -20.819 1.00 0.00 C ATOM 869 O TYR A 75 10.475 17.995 -20.948 1.00 0.00 O ATOM 870 CB TYR A 75 8.468 16.817 -22.615 1.00 0.00 C ATOM 871 CG TYR A 75 7.739 15.903 -23.573 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.485 14.964 -24.310 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.338 15.946 -23.696 1.00 0.00 C ATOM 874 CE1 TYR A 75 7.835 14.064 -25.169 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.685 15.063 -24.577 1.00 0.00 C ATOM 876 CZ TYR A 75 6.430 14.118 -25.317 1.00 0.00 C ATOM 877 OH TYR A 75 5.789 13.264 -26.164 1.00 0.00 O ATOM 0 H TYR A 75 7.963 16.381 -19.841 1.00 0.00 H new ATOM 0 HA TYR A 75 9.595 15.144 -21.956 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.765 17.529 -22.183 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.214 17.396 -23.159 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.560 14.936 -24.214 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.765 16.654 -23.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.408 13.330 -25.717 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.612 15.108 -24.687 1.00 0.00 H new ATOM 0 HH TYR A 75 4.825 13.441 -26.140 1.00 0.00 H new ATOM 887 N CYS A 76 11.115 16.011 -20.104 1.00 0.00 N ATOM 888 CA CYS A 76 12.409 16.387 -19.516 1.00 0.00 C ATOM 889 C CYS A 76 13.566 16.377 -20.550 1.00 0.00 C ATOM 890 O CYS A 76 14.685 15.984 -20.215 1.00 0.00 O ATOM 891 CB CYS A 76 12.711 15.443 -18.335 1.00 0.00 C ATOM 892 SG CYS A 76 11.472 15.565 -17.019 1.00 0.00 S ATOM 0 H CYS A 76 10.876 15.040 -19.903 1.00 0.00 H new ATOM 0 HA CYS A 76 12.337 17.416 -19.163 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.753 14.416 -18.696 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.694 15.678 -17.928 1.00 0.00 H new ATOM 0 HG CYS A 76 11.779 14.747 -16.057 1.00 0.00 H new ATOM 898 N GLY A 77 13.295 16.782 -21.801 1.00 0.00 N ATOM 899 CA GLY A 77 14.142 16.654 -23.006 1.00 0.00 C ATOM 900 C GLY A 77 15.649 16.929 -22.876 1.00 0.00 C ATOM 901 O GLY A 77 16.446 16.298 -23.574 1.00 0.00 O ATOM 0 H GLY A 77 12.411 17.243 -22.017 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.022 15.641 -23.390 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.746 17.331 -23.763 1.00 0.00 H new ATOM 905 N GLY A 78 16.050 17.822 -21.970 1.00 0.00 N ATOM 906 CA GLY A 78 17.448 18.047 -21.574 1.00 0.00 C ATOM 907 C GLY A 78 17.586 18.472 -20.107 1.00 0.00 C ATOM 908 O GLY A 78 18.515 19.202 -19.757 1.00 0.00 O ATOM 0 H GLY A 78 15.395 18.428 -21.475 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.020 17.134 -21.739 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.883 18.815 -22.213 1.00 0.00 H new ATOM 912 N ASP A 79 16.634 18.073 -19.258 1.00 0.00 N ATOM 913 CA ASP A 79 16.468 18.554 -17.893 1.00 0.00 C ATOM 914 C ASP A 79 17.028 17.581 -16.846 1.00 0.00 C ATOM 915 O ASP A 79 16.960 16.363 -17.019 1.00 0.00 O ATOM 916 CB ASP A 79 14.975 18.818 -17.699 1.00 0.00 C ATOM 917 CG ASP A 79 14.475 19.900 -18.672 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.733 21.101 -18.420 1.00 0.00 O ATOM 919 OD2 ASP A 79 13.853 19.543 -19.702 1.00 0.00 O ATOM 0 H ASP A 79 15.933 17.379 -19.518 1.00 0.00 H new ATOM 0 HA ASP A 79 17.043 19.468 -17.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.416 17.896 -17.856 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.788 19.133 -16.672 1.00 0.00 H new ATOM 924 N LEU A 80 17.542 18.113 -15.728 1.00 0.00 N ATOM 925 CA LEU A 80 18.311 17.352 -14.727 1.00 0.00 C ATOM 926 C LEU A 80 17.561 16.125 -14.185 1.00 0.00 C ATOM 927 O LEU A 80 18.162 15.064 -14.045 1.00 0.00 O ATOM 928 CB LEU A 80 18.732 18.283 -13.569 1.00 0.00 C ATOM 929 CG LEU A 80 20.036 19.071 -13.809 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.958 20.053 -14.980 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.386 19.868 -12.551 1.00 0.00 C ATOM 0 H LEU A 80 17.435 19.099 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 80 19.195 16.967 -15.235 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.926 18.992 -13.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.847 17.685 -12.665 1.00 0.00 H new ATOM 0 HG LEU A 80 20.796 18.329 -14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.912 20.569 -15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.736 19.508 -15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.170 20.782 -14.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.307 20.426 -12.718 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.577 20.563 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.523 19.184 -11.713 1.00 0.00 H new ATOM 943 N LEU A 81 16.248 16.232 -13.948 1.00 0.00 N ATOM 944 CA LEU A 81 15.424 15.097 -13.511 1.00 0.00 C ATOM 945 C LEU A 81 15.412 13.969 -14.561 1.00 0.00 C ATOM 946 O LEU A 81 15.586 12.807 -14.213 1.00 0.00 O ATOM 947 CB LEU A 81 14.012 15.619 -13.170 1.00 0.00 C ATOM 948 CG LEU A 81 12.981 14.542 -12.771 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.421 13.704 -11.569 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.655 15.218 -12.423 1.00 0.00 C ATOM 0 H LEU A 81 15.728 17.103 -14.053 1.00 0.00 H new ATOM 0 HA LEU A 81 15.852 14.649 -12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.097 16.336 -12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.627 16.163 -14.033 1.00 0.00 H new ATOM 0 HG LEU A 81 12.881 13.872 -13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.653 12.966 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.356 13.194 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.569 14.354 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.924 14.461 -12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.805 15.906 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.290 15.770 -13.289 1.00 0.00 H new ATOM 962 N GLY A 82 15.267 14.304 -15.845 1.00 0.00 N ATOM 963 CA GLY A 82 15.275 13.334 -16.955 1.00 0.00 C ATOM 964 C GLY A 82 16.645 12.697 -17.195 1.00 0.00 C ATOM 965 O GLY A 82 16.748 11.496 -17.452 1.00 0.00 O ATOM 0 H GLY A 82 15.139 15.268 -16.153 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.549 12.548 -16.746 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.950 13.834 -17.867 1.00 0.00 H new ATOM 969 N GLU A 83 17.710 13.489 -17.080 1.00 0.00 N ATOM 970 CA GLU A 83 19.103 13.032 -17.195 1.00 0.00 C ATOM 971 C GLU A 83 19.444 12.012 -16.101 1.00 0.00 C ATOM 972 O GLU A 83 19.952 10.926 -16.387 1.00 0.00 O ATOM 973 CB GLU A 83 20.050 14.230 -17.046 1.00 0.00 C ATOM 974 CG GLU A 83 19.904 15.287 -18.140 1.00 0.00 C ATOM 975 CD GLU A 83 20.839 15.007 -19.332 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.507 14.142 -20.180 1.00 0.00 O ATOM 977 OE2 GLU A 83 21.916 15.645 -19.431 1.00 0.00 O ATOM 0 H GLU A 83 17.631 14.490 -16.900 1.00 0.00 H new ATOM 0 HA GLU A 83 19.221 12.563 -18.172 1.00 0.00 H new ATOM 0 HB2 GLU A 83 19.874 14.699 -16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.078 13.867 -17.042 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.871 15.312 -18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.126 16.271 -17.727 1.00 0.00 H new ATOM 984 N LEU A 84 19.124 12.355 -14.848 1.00 0.00 N ATOM 985 CA LEU A 84 19.376 11.502 -13.682 1.00 0.00 C ATOM 986 C LEU A 84 18.445 10.276 -13.612 1.00 0.00 C ATOM 987 O LEU A 84 18.892 9.214 -13.172 1.00 0.00 O ATOM 988 CB LEU A 84 19.310 12.346 -12.392 1.00 0.00 C ATOM 989 CG LEU A 84 20.625 13.034 -11.961 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.668 12.011 -11.500 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.275 13.910 -13.034 1.00 0.00 C ATOM 0 H LEU A 84 18.678 13.242 -14.613 1.00 0.00 H new ATOM 0 HA LEU A 84 20.381 11.093 -13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.548 13.114 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.977 11.703 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 84 20.318 13.685 -11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.580 12.529 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.277 11.451 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.890 11.324 -12.317 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.191 14.350 -12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.512 13.301 -13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.586 14.704 -13.322 1.00 0.00 H new ATOM 1003 N LEU A 85 17.189 10.375 -14.077 1.00 0.00 N ATOM 1004 CA LEU A 85 16.292 9.212 -14.178 1.00 0.00 C ATOM 1005 C LEU A 85 16.665 8.282 -15.344 1.00 0.00 C ATOM 1006 O LEU A 85 16.435 7.075 -15.270 1.00 0.00 O ATOM 1007 CB LEU A 85 14.812 9.656 -14.154 1.00 0.00 C ATOM 1008 CG LEU A 85 14.036 9.860 -15.463 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.369 8.560 -15.928 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.890 10.853 -15.256 1.00 0.00 C ATOM 0 H LEU A 85 16.771 11.251 -14.390 1.00 0.00 H new ATOM 0 HA LEU A 85 16.431 8.592 -13.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.265 8.918 -13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.768 10.596 -13.604 1.00 0.00 H new ATOM 0 HG LEU A 85 14.761 10.215 -16.195 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.828 8.741 -16.857 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.131 7.799 -16.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.672 8.215 -15.164 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.350 10.986 -16.194 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.209 10.469 -14.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.294 11.812 -14.930 1.00 0.00 H new ATOM 1022 N GLY A 86 17.272 8.833 -16.401 1.00 0.00 N ATOM 1023 CA GLY A 86 17.770 8.079 -17.559 1.00 0.00 C ATOM 1024 C GLY A 86 16.758 7.952 -18.702 1.00 0.00 C ATOM 1025 O GLY A 86 17.073 7.360 -19.736 1.00 0.00 O ATOM 0 H GLY A 86 17.435 9.837 -16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.670 8.565 -17.936 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.060 7.081 -17.232 1.00 0.00 H new ATOM 1029 N ARG A 87 15.563 8.540 -18.543 1.00 0.00 N ATOM 1030 CA ARG A 87 14.551 8.708 -19.602 1.00 0.00 C ATOM 1031 C ARG A 87 14.109 10.169 -19.622 1.00 0.00 C ATOM 1032 O ARG A 87 13.663 10.695 -18.608 1.00 0.00 O ATOM 1033 CB ARG A 87 13.357 7.746 -19.378 1.00 0.00 C ATOM 1034 CG ARG A 87 13.032 6.857 -20.587 1.00 0.00 C ATOM 1035 CD ARG A 87 13.999 5.672 -20.707 1.00 0.00 C ATOM 1036 NE ARG A 87 13.626 4.796 -21.838 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.087 4.830 -23.078 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.007 5.672 -23.462 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.621 4.006 -23.972 1.00 0.00 N ATOM 0 H ARG A 87 15.263 8.924 -17.647 1.00 0.00 H new ATOM 0 HA ARG A 87 14.978 8.454 -20.572 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.573 7.109 -18.520 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.474 8.333 -19.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.011 6.484 -20.499 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.076 7.454 -21.498 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.015 6.040 -20.847 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.993 5.098 -19.780 1.00 0.00 H new ATOM 0 HE ARG A 87 12.929 4.079 -21.638 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.399 6.338 -22.796 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.334 5.664 -24.428 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.899 3.332 -23.717 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.978 4.034 -24.927 1.00 0.00 H new ATOM 1053 N GLN A 88 14.222 10.832 -20.771 1.00 0.00 N ATOM 1054 CA GLN A 88 13.837 12.244 -20.913 1.00 0.00 C ATOM 1055 C GLN A 88 12.336 12.421 -21.222 1.00 0.00 C ATOM 1056 O GLN A 88 11.848 13.548 -21.262 1.00 0.00 O ATOM 1057 CB GLN A 88 14.773 12.949 -21.908 1.00 0.00 C ATOM 1058 CG GLN A 88 16.217 13.120 -21.385 1.00 0.00 C ATOM 1059 CD GLN A 88 17.064 11.849 -21.482 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.427 11.400 -22.562 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.395 11.189 -20.388 1.00 0.00 N ATOM 0 H GLN A 88 14.581 10.413 -21.629 1.00 0.00 H new ATOM 0 HA GLN A 88 13.968 12.740 -19.951 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.797 12.380 -22.837 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.363 13.931 -22.146 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.706 13.915 -21.948 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.181 13.443 -20.344 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.107 11.539 -19.474 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.939 10.329 -20.456 1.00 0.00 H new ATOM 1070 N SER A 89 11.582 11.328 -21.373 1.00 0.00 N ATOM 1071 CA SER A 89 10.115 11.332 -21.458 1.00 0.00 C ATOM 1072 C SER A 89 9.494 10.044 -20.895 1.00 0.00 C ATOM 1073 O SER A 89 10.063 8.954 -21.003 1.00 0.00 O ATOM 1074 CB SER A 89 9.669 11.591 -22.905 1.00 0.00 C ATOM 1075 OG SER A 89 10.109 10.562 -23.783 1.00 0.00 O ATOM 0 H SER A 89 11.983 10.392 -21.441 1.00 0.00 H new ATOM 0 HA SER A 89 9.747 12.145 -20.832 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.582 11.662 -22.944 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.063 12.550 -23.241 1.00 0.00 H new ATOM 0 HG SER A 89 9.806 10.758 -24.694 1.00 0.00 H new ATOM 1081 N PHE A 90 8.333 10.188 -20.250 1.00 0.00 N ATOM 1082 CA PHE A 90 7.504 9.119 -19.667 1.00 0.00 C ATOM 1083 C PHE A 90 6.062 9.638 -19.469 1.00 0.00 C ATOM 1084 O PHE A 90 5.795 10.821 -19.687 1.00 0.00 O ATOM 1085 CB PHE A 90 8.120 8.617 -18.342 1.00 0.00 C ATOM 1086 CG PHE A 90 8.200 9.642 -17.225 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.328 10.477 -17.107 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.146 9.756 -16.297 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.389 11.439 -16.083 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.208 10.720 -15.275 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.324 11.567 -15.174 1.00 0.00 C ATOM 0 H PHE A 90 7.918 11.109 -20.110 1.00 0.00 H new ATOM 0 HA PHE A 90 7.471 8.269 -20.348 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.535 7.767 -17.990 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.126 8.249 -18.546 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.147 10.378 -17.804 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.289 9.102 -16.371 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.254 12.080 -15.995 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.397 10.809 -14.567 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.364 12.317 -14.398 1.00 0.00 H new ATOM 1101 N SER A 91 5.129 8.778 -19.054 1.00 0.00 N ATOM 1102 CA SER A 91 3.711 9.128 -18.839 1.00 0.00 C ATOM 1103 C SER A 91 3.201 8.632 -17.486 1.00 0.00 C ATOM 1104 O SER A 91 3.742 7.680 -16.927 1.00 0.00 O ATOM 1105 CB SER A 91 2.866 8.533 -19.975 1.00 0.00 C ATOM 1106 OG SER A 91 1.477 8.724 -19.750 1.00 0.00 O ATOM 0 H SER A 91 5.335 7.800 -18.853 1.00 0.00 H new ATOM 0 HA SER A 91 3.623 10.214 -18.839 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.149 8.996 -20.920 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.077 7.468 -20.066 1.00 0.00 H new ATOM 0 HG SER A 91 0.969 8.335 -20.492 1.00 0.00 H new ATOM 1112 N VAL A 92 2.106 9.202 -16.978 1.00 0.00 N ATOM 1113 CA VAL A 92 1.384 8.655 -15.807 1.00 0.00 C ATOM 1114 C VAL A 92 0.762 7.273 -16.105 1.00 0.00 C ATOM 1115 O VAL A 92 0.459 6.520 -15.180 1.00 0.00 O ATOM 1116 CB VAL A 92 0.323 9.641 -15.276 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.936 11.015 -14.987 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.862 9.790 -16.234 1.00 0.00 C ATOM 0 H VAL A 92 1.689 10.052 -17.358 1.00 0.00 H new ATOM 0 HA VAL A 92 2.125 8.515 -15.020 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.051 9.218 -14.344 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.163 11.687 -14.614 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.721 10.913 -14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.361 11.424 -15.904 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.581 10.494 -15.816 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.508 10.161 -17.196 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.341 8.821 -16.373 1.00 0.00 H new ATOM 1128 N LYS A 93 0.610 6.918 -17.394 1.00 0.00 N ATOM 1129 CA LYS A 93 0.239 5.574 -17.898 1.00 0.00 C ATOM 1130 C LYS A 93 1.452 4.692 -18.244 1.00 0.00 C ATOM 1131 O LYS A 93 1.288 3.529 -18.615 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.697 5.727 -19.117 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.082 6.288 -18.756 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.968 5.235 -18.064 1.00 0.00 C ATOM 1135 CE LYS A 93 -4.233 5.844 -17.446 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.917 6.663 -16.242 1.00 0.00 N ATOM 0 H LYS A 93 0.748 7.588 -18.151 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.279 5.056 -17.091 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.226 6.385 -19.847 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.820 4.755 -19.596 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.964 7.150 -18.100 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.577 6.641 -19.661 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.253 4.472 -18.789 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.392 4.735 -17.285 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.738 6.465 -18.186 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.925 5.047 -17.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.799 6.918 -15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.311 6.115 -15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.419 7.529 -16.532 1.00 0.00 H new ATOM 1150 N ASP A 94 2.661 5.236 -18.111 1.00 0.00 N ATOM 1151 CA ASP A 94 3.944 4.554 -18.350 1.00 0.00 C ATOM 1152 C ASP A 94 5.067 5.027 -17.383 1.00 0.00 C ATOM 1153 O ASP A 94 6.112 5.504 -17.836 1.00 0.00 O ATOM 1154 CB ASP A 94 4.318 4.726 -19.836 1.00 0.00 C ATOM 1155 CG ASP A 94 5.524 3.870 -20.267 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.636 2.700 -19.828 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.337 4.345 -21.098 1.00 0.00 O ATOM 0 H ASP A 94 2.785 6.206 -17.821 1.00 0.00 H new ATOM 0 HA ASP A 94 3.831 3.492 -18.133 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.458 4.464 -20.452 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.540 5.776 -20.028 1.00 0.00 H new ATOM 1162 N PRO A 95 4.881 4.933 -16.046 1.00 0.00 N ATOM 1163 CA PRO A 95 5.845 5.400 -15.037 1.00 0.00 C ATOM 1164 C PRO A 95 6.992 4.401 -14.774 1.00 0.00 C ATOM 1165 O PRO A 95 7.719 4.532 -13.789 1.00 0.00 O ATOM 1166 CB PRO A 95 4.990 5.645 -13.789 1.00 0.00 C ATOM 1167 CG PRO A 95 3.969 4.511 -13.876 1.00 0.00 C ATOM 1168 CD PRO A 95 3.681 4.444 -15.373 1.00 0.00 C ATOM 0 HA PRO A 95 6.368 6.296 -15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.580 5.594 -12.874 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.514 6.625 -13.807 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.372 3.572 -13.497 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.070 4.728 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.453 3.423 -15.679 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.816 5.055 -15.630 1.00 0.00 H new ATOM 1176 N SER A 96 7.171 3.387 -15.624 1.00 0.00 N ATOM 1177 CA SER A 96 8.137 2.293 -15.434 1.00 0.00 C ATOM 1178 C SER A 96 9.593 2.754 -15.219 1.00 0.00 C ATOM 1179 O SER A 96 10.194 2.304 -14.239 1.00 0.00 O ATOM 1180 CB SER A 96 8.054 1.299 -16.600 1.00 0.00 C ATOM 1181 OG SER A 96 6.735 0.778 -16.722 1.00 0.00 O ATOM 0 H SER A 96 6.636 3.298 -16.488 1.00 0.00 H new ATOM 0 HA SER A 96 7.847 1.804 -14.504 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.343 1.793 -17.528 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.760 0.484 -16.441 1.00 0.00 H new ATOM 0 HG SER A 96 6.700 0.147 -17.471 1.00 0.00 H new ATOM 1187 N PRO A 97 10.176 3.678 -16.023 1.00 0.00 N ATOM 1188 CA PRO A 97 11.528 4.182 -15.755 1.00 0.00 C ATOM 1189 C PRO A 97 11.599 5.039 -14.479 1.00 0.00 C ATOM 1190 O PRO A 97 12.658 5.120 -13.858 1.00 0.00 O ATOM 1191 CB PRO A 97 11.921 4.987 -16.997 1.00 0.00 C ATOM 1192 CG PRO A 97 10.582 5.472 -17.545 1.00 0.00 C ATOM 1193 CD PRO A 97 9.655 4.297 -17.243 1.00 0.00 C ATOM 0 HA PRO A 97 12.217 3.358 -15.572 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.577 5.820 -16.744 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.453 4.371 -17.723 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.250 6.387 -17.054 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.634 5.684 -18.613 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.629 4.636 -17.102 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.645 3.585 -18.068 1.00 0.00 H new ATOM 1201 N LEU A 98 10.484 5.650 -14.054 1.00 0.00 N ATOM 1202 CA LEU A 98 10.423 6.466 -12.841 1.00 0.00 C ATOM 1203 C LEU A 98 10.519 5.590 -11.586 1.00 0.00 C ATOM 1204 O LEU A 98 11.407 5.800 -10.766 1.00 0.00 O ATOM 1205 CB LEU A 98 9.141 7.321 -12.854 1.00 0.00 C ATOM 1206 CG LEU A 98 9.173 8.452 -11.812 1.00 0.00 C ATOM 1207 CD1 LEU A 98 10.024 9.622 -12.303 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.760 8.960 -11.554 1.00 0.00 C ATOM 0 H LEU A 98 9.594 5.589 -14.549 1.00 0.00 H new ATOM 0 HA LEU A 98 11.279 7.141 -12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.005 7.750 -13.847 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.280 6.681 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 98 9.605 8.050 -10.896 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.031 10.409 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.044 9.281 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.605 10.012 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.790 9.761 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.335 9.339 -12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.143 8.144 -11.179 1.00 0.00 H new ATOM 1220 N TYR A 99 9.668 4.568 -11.452 1.00 0.00 N ATOM 1221 CA TYR A 99 9.740 3.638 -10.315 1.00 0.00 C ATOM 1222 C TYR A 99 11.082 2.897 -10.258 1.00 0.00 C ATOM 1223 O TYR A 99 11.665 2.758 -9.181 1.00 0.00 O ATOM 1224 CB TYR A 99 8.582 2.636 -10.376 1.00 0.00 C ATOM 1225 CG TYR A 99 7.253 3.208 -9.914 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.070 3.531 -8.554 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.201 3.405 -10.830 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.840 4.054 -8.109 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.966 3.918 -10.385 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.782 4.245 -9.023 1.00 0.00 C ATOM 1231 OH TYR A 99 3.586 4.729 -8.583 1.00 0.00 O ATOM 0 H TYR A 99 8.921 4.362 -12.115 1.00 0.00 H new ATOM 0 HA TYR A 99 9.657 4.231 -9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.477 2.278 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.829 1.771 -9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.875 3.377 -7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.341 3.163 -11.873 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.707 4.309 -7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.158 4.062 -11.087 1.00 0.00 H new ATOM 0 HH TYR A 99 2.965 4.802 -9.338 1.00 0.00 H new ATOM 1241 N ASP A 100 11.610 2.484 -11.413 1.00 0.00 N ATOM 1242 CA ASP A 100 12.909 1.818 -11.512 1.00 0.00 C ATOM 1243 C ASP A 100 14.061 2.713 -11.045 1.00 0.00 C ATOM 1244 O ASP A 100 14.888 2.273 -10.246 1.00 0.00 O ATOM 1245 CB ASP A 100 13.122 1.398 -12.969 1.00 0.00 C ATOM 1246 CG ASP A 100 14.398 0.574 -13.165 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.407 -0.625 -12.800 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.396 1.114 -13.699 1.00 0.00 O ATOM 0 H ASP A 100 11.144 2.604 -12.312 1.00 0.00 H new ATOM 0 HA ASP A 100 12.905 0.949 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.263 0.816 -13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.169 2.288 -13.596 1.00 0.00 H new ATOM 1253 N MET A 101 14.085 3.982 -11.471 1.00 0.00 N ATOM 1254 CA MET A 101 15.093 4.931 -10.982 1.00 0.00 C ATOM 1255 C MET A 101 14.941 5.207 -9.482 1.00 0.00 C ATOM 1256 O MET A 101 15.941 5.290 -8.774 1.00 0.00 O ATOM 1257 CB MET A 101 15.116 6.230 -11.811 1.00 0.00 C ATOM 1258 CG MET A 101 14.170 7.357 -11.360 1.00 0.00 C ATOM 1259 SD MET A 101 15.038 8.819 -10.744 1.00 0.00 S ATOM 1260 CE MET A 101 13.622 9.926 -10.577 1.00 0.00 C ATOM 0 H MET A 101 13.426 4.372 -12.145 1.00 0.00 H new ATOM 0 HA MET A 101 16.065 4.456 -11.118 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.134 6.619 -11.806 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.876 5.978 -12.844 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.536 7.646 -12.198 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.512 6.978 -10.578 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.974 10.947 -10.430 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.014 9.878 -11.481 1.00 0.00 H new ATOM 0 HE3 MET A 101 13.022 9.622 -9.720 1.00 0.00 H new ATOM 1270 N LEU A 102 13.708 5.307 -8.969 1.00 0.00 N ATOM 1271 CA LEU A 102 13.445 5.660 -7.578 1.00 0.00 C ATOM 1272 C LEU A 102 13.953 4.536 -6.680 1.00 0.00 C ATOM 1273 O LEU A 102 14.804 4.807 -5.844 1.00 0.00 O ATOM 1274 CB LEU A 102 11.954 6.000 -7.366 1.00 0.00 C ATOM 1275 CG LEU A 102 11.508 7.360 -7.950 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.984 7.474 -7.895 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.089 8.563 -7.202 1.00 0.00 C ATOM 0 H LEU A 102 12.863 5.143 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 102 13.986 6.566 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.349 5.212 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.743 5.993 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 102 11.881 7.382 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.676 8.435 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.538 6.668 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.651 7.400 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.735 9.484 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.768 8.533 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.178 8.529 -7.248 1.00 0.00 H new ATOM 1289 N ARG A 103 13.599 3.272 -6.942 1.00 0.00 N ATOM 1290 CA ARG A 103 14.116 2.111 -6.183 1.00 0.00 C ATOM 1291 C ARG A 103 15.633 1.875 -6.330 1.00 0.00 C ATOM 1292 O ARG A 103 16.203 1.119 -5.541 1.00 0.00 O ATOM 1293 CB ARG A 103 13.323 0.847 -6.549 1.00 0.00 C ATOM 1294 CG ARG A 103 11.841 0.959 -6.152 1.00 0.00 C ATOM 1295 CD ARG A 103 11.132 -0.391 -6.291 1.00 0.00 C ATOM 1296 NE ARG A 103 11.500 -1.304 -5.188 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.318 -2.610 -5.125 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.776 -3.293 -6.094 1.00 0.00 N ATOM 1299 NH2 ARG A 103 11.688 -3.249 -4.054 1.00 0.00 N ATOM 0 H ARG A 103 12.947 3.018 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 103 13.969 2.349 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.398 0.670 -7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.767 -0.016 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.762 1.311 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.347 1.700 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.053 -0.239 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.394 -0.846 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 103 11.948 -0.873 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.473 -2.819 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.655 -4.302 -6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.112 -2.741 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.554 -4.258 -3.990 1.00 0.00 H new ATOM 1313 N LYS A 104 16.296 2.529 -7.297 1.00 0.00 N ATOM 1314 CA LYS A 104 17.768 2.537 -7.468 1.00 0.00 C ATOM 1315 C LYS A 104 18.467 3.745 -6.826 1.00 0.00 C ATOM 1316 O LYS A 104 19.693 3.746 -6.702 1.00 0.00 O ATOM 1317 CB LYS A 104 18.107 2.415 -8.963 1.00 0.00 C ATOM 1318 CG LYS A 104 17.862 1.005 -9.475 1.00 0.00 C ATOM 1319 CD LYS A 104 18.155 0.965 -10.979 1.00 0.00 C ATOM 1320 CE LYS A 104 17.427 -0.261 -11.493 1.00 0.00 C ATOM 1321 NZ LYS A 104 17.575 -0.441 -12.959 1.00 0.00 N ATOM 0 H LYS A 104 15.814 3.084 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 104 18.159 1.674 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.503 3.121 -9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.150 2.686 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.500 0.296 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.831 0.708 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.801 1.870 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.226 0.896 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.807 -1.145 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.368 -0.181 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.384 -1.432 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.901 0.177 -13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.544 -0.194 -13.243 1.00 0.00 H new ATOM 1335 N ASN A 105 17.708 4.756 -6.398 1.00 0.00 N ATOM 1336 CA ASN A 105 18.207 5.960 -5.720 1.00 0.00 C ATOM 1337 C ASN A 105 17.767 5.952 -4.246 1.00 0.00 C ATOM 1338 O ASN A 105 18.579 5.860 -3.326 1.00 0.00 O ATOM 1339 CB ASN A 105 17.660 7.186 -6.482 1.00 0.00 C ATOM 1340 CG ASN A 105 18.497 7.541 -7.697 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.419 8.340 -7.640 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.193 6.949 -8.823 1.00 0.00 N ATOM 0 H ASN A 105 16.695 4.762 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 105 19.296 5.994 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.636 6.986 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.624 8.042 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.728 7.153 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.421 6.284 -8.857 1.00 0.00 H new ATOM 1349 N LEU A 106 16.456 6.039 -4.047 1.00 0.00 N ATOM 1350 CA LEU A 106 15.770 5.948 -2.761 1.00 0.00 C ATOM 1351 C LEU A 106 15.698 4.488 -2.279 1.00 0.00 C ATOM 1352 O LEU A 106 15.781 3.543 -3.069 1.00 0.00 O ATOM 1353 CB LEU A 106 14.316 6.469 -2.907 1.00 0.00 C ATOM 1354 CG LEU A 106 14.054 7.966 -3.156 1.00 0.00 C ATOM 1355 CD1 LEU A 106 14.766 8.560 -4.370 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.555 8.176 -3.340 1.00 0.00 C ATOM 0 H LEU A 106 15.807 6.183 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 106 16.329 6.546 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.856 5.919 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.780 6.193 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 106 14.455 8.482 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.516 9.617 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.844 8.451 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.447 8.036 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.355 9.233 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.208 7.593 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.029 7.853 -2.441 1.00 0.00 H new ATOM 1368 N VAL A 107 15.498 4.306 -0.971 1.00 0.00 N ATOM 1369 CA VAL A 107 15.120 2.988 -0.420 1.00 0.00 C ATOM 1370 C VAL A 107 13.674 2.689 -0.857 1.00 0.00 C ATOM 1371 O VAL A 107 12.931 3.608 -1.207 1.00 0.00 O ATOM 1372 CB VAL A 107 15.280 2.892 1.113 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.759 2.971 1.500 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.449 3.924 1.880 1.00 0.00 C ATOM 0 H VAL A 107 15.589 5.044 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 107 15.804 2.238 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 107 14.885 1.920 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.856 2.902 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.301 2.148 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.174 3.919 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.610 3.798 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.752 4.928 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.392 3.782 1.653 1.00 0.00 H new ATOM 1384 N THR A 108 13.241 1.426 -0.854 1.00 0.00 N ATOM 1385 CA THR A 108 11.870 1.074 -1.281 1.00 0.00 C ATOM 1386 C THR A 108 10.818 1.730 -0.372 1.00 0.00 C ATOM 1387 O THR A 108 10.847 1.550 0.848 1.00 0.00 O ATOM 1388 CB THR A 108 11.679 -0.447 -1.321 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.475 -0.987 -2.362 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.247 -0.869 -1.662 1.00 0.00 C ATOM 0 H THR A 108 13.809 0.630 -0.564 1.00 0.00 H new ATOM 0 HA THR A 108 11.730 1.461 -2.290 1.00 0.00 H new ATOM 0 HB THR A 108 11.945 -0.805 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.118 -1.624 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.181 -1.957 -1.674 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.562 -0.472 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.977 -0.479 -2.643 1.00 0.00 H new ATOM 1398 N LEU A 109 9.874 2.466 -0.976 1.00 0.00 N ATOM 1399 CA LEU A 109 8.738 3.123 -0.309 1.00 0.00 C ATOM 1400 C LEU A 109 7.399 2.609 -0.863 1.00 0.00 C ATOM 1401 O LEU A 109 7.319 2.184 -2.018 1.00 0.00 O ATOM 1402 CB LEU A 109 8.798 4.654 -0.490 1.00 0.00 C ATOM 1403 CG LEU A 109 10.121 5.367 -0.182 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.986 6.866 -0.446 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.572 5.159 1.263 1.00 0.00 C ATOM 0 H LEU A 109 9.880 2.627 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 109 8.807 2.882 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.531 4.878 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.027 5.095 0.142 1.00 0.00 H new ATOM 0 HG LEU A 109 10.874 4.931 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.931 7.361 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.728 7.029 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.202 7.278 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.513 5.684 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.813 5.550 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.712 4.094 1.451 1.00 0.00 H new ATOM 1417 N ALA A 110 6.343 2.696 -0.051 1.00 0.00 N ATOM 1418 CA ALA A 110 4.985 2.286 -0.420 1.00 0.00 C ATOM 1419 C ALA A 110 3.900 3.011 0.403 1.00 0.00 C ATOM 1420 O ALA A 110 4.185 3.624 1.436 1.00 0.00 O ATOM 1421 CB ALA A 110 4.905 0.764 -0.256 1.00 0.00 C ATOM 0 H ALA A 110 6.408 3.060 0.900 1.00 0.00 H new ATOM 0 HA ALA A 110 4.787 2.568 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.905 0.421 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.637 0.289 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.115 0.498 0.780 1.00 0.00 H new ATOM 1427 N THR A 111 2.652 2.952 -0.072 1.00 0.00 N ATOM 1428 CA THR A 111 1.482 3.620 0.534 1.00 0.00 C ATOM 1429 C THR A 111 0.168 2.869 0.288 1.00 0.00 C ATOM 1430 O THR A 111 0.068 2.017 -0.609 1.00 0.00 O ATOM 1431 CB THR A 111 1.373 5.072 0.041 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.292 5.704 0.696 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.165 5.220 -1.470 1.00 0.00 C ATOM 0 H THR A 111 2.415 2.425 -0.912 1.00 0.00 H new ATOM 0 HA THR A 111 1.646 3.617 1.612 1.00 0.00 H new ATOM 0 HB THR A 111 2.332 5.535 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.219 6.631 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.099 6.277 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.005 4.770 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.242 4.718 -1.761 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.760 12.408 -11.224 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.429 13.087 -10.518 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.669 10.839 -9.774 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.935 13.972 -13.069 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.638 12.482 -11.762 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.536 13.443 -9.747 1.00 0.00 C HETATM 1448 CD3 48L A 200 0.835 9.945 -10.838 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.113 10.463 -8.501 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.027 13.316 -13.653 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.285 14.965 -13.821 1.00 0.00 C HETATM 1452 CE1 48L A 200 3.929 12.205 -12.212 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.824 13.167 -10.195 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.701 9.218 -8.288 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.447 8.711 -10.625 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.539 13.732 -14.881 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.809 15.386 -15.041 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.022 12.548 -11.422 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.872 8.337 -9.354 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.952 14.797 -15.559 1.00 0.00 C HETATM 1461 CL 48L A 200 6.631 12.227 -11.959 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.822 15.091 -17.163 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.406 14.411 -15.056 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.241 16.041 -13.311 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.330 18.845 -11.821 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.458 18.258 -12.253 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.200 20.042 -11.999 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.800 16.847 -12.033 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.543 16.528 -10.995 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.986 16.219 -10.885 1.00 0.00 C HETATM 1471 N3 48L A 200 0.339 14.358 -10.870 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.447 15.285 -16.752 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.272 17.987 -11.129 1.00 0.00 C HETATM 1474 C5 48L A 200 0.462 15.684 -10.635 1.00 0.00 C HETATM 1475 O5 48L A 200 1.453 16.131 -10.086 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.526 13.581 -11.684 1.00 0.00 C HETATM 1477 O6 48L A 200 0.926 15.471 -13.401 1.00 0.00 O HETATM 1478 C7 48L A 200 0.025 12.212 -9.971 1.00 0.00 C HETATM 1479 C8 48L A 200 1.023 13.405 -10.000 1.00 0.00 C HETATM 1480 C9 48L A 200 2.076 15.686 -14.253 1.00 0.00 C HETATM 1481 BR 48L A 200 1.722 7.533 -12.086 1.00 0.00 BR HETATM 1482 F 48L A 200 0.981 11.302 -7.456 1.00 0.00 F