USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1038 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 MET CE :methyl -167:sc= -0.0658 (180deg=-0.369) USER MOD Single : A 15 MET CE :methyl -165:sc= -0.0765 (180deg=-0.419) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 81:sc= 1.03 USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.21) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 29 TYR OH : rot 0:sc= -0.805 USER MOD Single : A 31 SER OG : rot 78:sc= 1.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0609 (180deg=-0.364) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 91:sc= 1.3 USER MOD Single : A 48 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 51 MET CE :methyl -155:sc= -2.54! (180deg=-3.91!) USER MOD Single : A 53 CYS SG : rot 71:sc= 1.07 USER MOD Single : A 55 SER OG : rot 80:sc= 1.17 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 86:sc= 1.05 USER MOD Single : A 75 LYS NZ :NH3+ 128:sc= 2.46 (180deg=0.834) USER MOD Single : A 77 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.87) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -3.87! C(o=-3.9!,f=-6.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -98:sc= 1.29 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 14 MET CE :methyl -167:sc= -0.0692 (180deg=-0.387) USER MOD Single : B 15 MET CE :methyl -165:sc= -0.0964 (180deg=-0.459) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 80:sc= 0.947 USER MOD Single : B 19 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.955) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 29 TYR OH : rot 0:sc= -0.562 USER MOD Single : B 31 SER OG : rot 58:sc= 1.2 USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -165:sc= -0.0557 (180deg=-0.363) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 93:sc= 1.26 USER MOD Single : B 48 ASN : amide:sc= -1.17 X(o=-1.2,f=-1) USER MOD Single : B 51 MET CE :methyl -161:sc= -2.65! (180deg=-3.93!) USER MOD Single : B 53 CYS SG : rot 90:sc= 0.959 USER MOD Single : B 55 SER OG : rot 80:sc= 1.16 USER MOD Single : B 66 SER OG : rot 180:sc= 0.0312 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 109:sc= 1.07 USER MOD Single : B 75 LYS NZ :NH3+ 144:sc= 2.37 (180deg=0.859) USER MOD Single : B 77 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.88) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 84 ASN : amide:sc= -3.36! C(o=-3.4!,f=-6.2!) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 87 SER OG : rot -97:sc= 1.27 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -8.026 -13.357 5.354 1.00 4.47 N ATOM 2 CA MET A 14 -9.289 -13.727 4.675 1.00 3.81 C ATOM 3 C MET A 14 -10.409 -12.771 5.062 1.00 2.82 C ATOM 4 O MET A 14 -10.820 -12.732 6.221 1.00 2.99 O ATOM 5 CB MET A 14 -9.688 -15.163 5.025 1.00 4.50 C ATOM 6 CG MET A 14 -8.740 -16.208 4.464 1.00 5.02 C ATOM 7 SD MET A 14 -8.586 -16.109 2.668 1.00 5.80 S ATOM 8 CE MET A 14 -10.258 -16.492 2.153 1.00 6.45 C ATOM 0 HA MET A 14 -9.125 -13.658 3.600 1.00 3.81 H new ATOM 0 HB2 MET A 14 -9.730 -15.266 6.109 1.00 4.50 H new ATOM 0 HB3 MET A 14 -10.692 -15.355 4.648 1.00 4.50 H new ATOM 0 HG2 MET A 14 -7.757 -16.082 4.917 1.00 5.02 H new ATOM 0 HG3 MET A 14 -9.094 -17.201 4.741 1.00 5.02 H new ATOM 0 HE1 MET A 14 -10.271 -16.696 1.082 1.00 6.45 H new ATOM 0 HE2 MET A 14 -10.613 -17.369 2.694 1.00 6.45 H new ATOM 0 HE3 MET A 14 -10.908 -15.644 2.369 1.00 6.45 H new ATOM 20 N MET A 15 -10.894 -12.009 4.074 1.00 2.12 N ATOM 21 CA MET A 15 -11.947 -11.001 4.263 1.00 1.95 C ATOM 22 C MET A 15 -11.440 -9.827 5.088 1.00 1.69 C ATOM 23 O MET A 15 -11.395 -8.693 4.612 1.00 2.48 O ATOM 24 CB MET A 15 -13.196 -11.604 4.908 1.00 2.52 C ATOM 25 CG MET A 15 -13.945 -12.570 4.007 1.00 3.07 C ATOM 26 SD MET A 15 -15.518 -13.111 4.708 1.00 3.93 S ATOM 27 CE MET A 15 -14.978 -13.855 6.245 1.00 4.73 C ATOM 0 H MET A 15 -10.564 -12.075 3.111 1.00 2.12 H new ATOM 0 HA MET A 15 -12.223 -10.636 3.274 1.00 1.95 H new ATOM 0 HB2 MET A 15 -12.907 -12.124 5.822 1.00 2.52 H new ATOM 0 HB3 MET A 15 -13.869 -10.797 5.199 1.00 2.52 H new ATOM 0 HG2 MET A 15 -14.127 -12.093 3.044 1.00 3.07 H new ATOM 0 HG3 MET A 15 -13.319 -13.442 3.818 1.00 3.07 H new ATOM 0 HE1 MET A 15 -15.784 -14.462 6.658 1.00 4.73 H new ATOM 0 HE2 MET A 15 -14.108 -14.485 6.058 1.00 4.73 H new ATOM 0 HE3 MET A 15 -14.713 -13.072 6.955 1.00 4.73 H new ATOM 37 N SER A 16 -11.055 -10.110 6.317 1.00 1.19 N ATOM 38 CA SER A 16 -10.469 -9.116 7.182 1.00 1.17 C ATOM 39 C SER A 16 -9.028 -8.886 6.770 1.00 1.05 C ATOM 40 O SER A 16 -8.160 -9.710 7.054 1.00 1.91 O ATOM 41 CB SER A 16 -10.550 -9.571 8.636 1.00 1.62 C ATOM 42 OG SER A 16 -11.886 -9.903 8.983 1.00 2.01 O ATOM 0 H SER A 16 -11.141 -11.034 6.739 1.00 1.19 H new ATOM 0 HA SER A 16 -11.019 -8.179 7.091 1.00 1.17 H new ATOM 0 HB2 SER A 16 -9.904 -10.435 8.789 1.00 1.62 H new ATOM 0 HB3 SER A 16 -10.184 -8.780 9.291 1.00 1.62 H new ATOM 0 HG SER A 16 -11.918 -10.194 9.918 1.00 2.01 H new ATOM 48 N ALA A 17 -8.809 -7.784 6.063 1.00 0.93 N ATOM 49 CA ALA A 17 -7.500 -7.437 5.517 1.00 0.81 C ATOM 50 C ALA A 17 -6.399 -7.540 6.564 1.00 0.69 C ATOM 51 O ALA A 17 -6.210 -6.632 7.374 1.00 0.70 O ATOM 52 CB ALA A 17 -7.537 -6.032 4.936 1.00 1.09 C ATOM 0 H ALA A 17 -9.537 -7.102 5.851 1.00 0.93 H new ATOM 0 HA ALA A 17 -7.271 -8.154 4.729 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.557 -5.780 4.531 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.281 -5.987 4.141 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.799 -5.321 5.720 1.00 1.09 H new ATOM 58 N SER A 18 -5.687 -8.657 6.552 1.00 0.64 N ATOM 59 CA SER A 18 -4.577 -8.862 7.461 1.00 0.61 C ATOM 60 C SER A 18 -3.314 -8.240 6.877 1.00 0.50 C ATOM 61 O SER A 18 -3.284 -7.907 5.691 1.00 0.45 O ATOM 62 CB SER A 18 -4.370 -10.356 7.701 1.00 0.66 C ATOM 63 OG SER A 18 -5.604 -10.999 7.985 1.00 1.32 O ATOM 0 H SER A 18 -5.862 -9.437 5.918 1.00 0.64 H new ATOM 0 HA SER A 18 -4.799 -8.383 8.415 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.913 -10.810 6.822 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.679 -10.503 8.531 1.00 0.66 H new ATOM 0 HG SER A 18 -6.082 -11.174 7.148 1.00 1.32 H new ATOM 69 N LYS A 19 -2.280 -8.093 7.696 1.00 0.50 N ATOM 70 CA LYS A 19 -1.043 -7.444 7.268 1.00 0.43 C ATOM 71 C LYS A 19 -0.514 -8.039 5.963 1.00 0.34 C ATOM 72 O LYS A 19 -0.223 -7.309 5.011 1.00 0.28 O ATOM 73 CB LYS A 19 0.027 -7.557 8.357 1.00 0.54 C ATOM 74 CG LYS A 19 -0.359 -6.898 9.670 1.00 0.84 C ATOM 75 CD LYS A 19 0.804 -6.890 10.651 1.00 1.12 C ATOM 76 CE LYS A 19 1.253 -8.297 11.012 1.00 1.73 C ATOM 77 NZ LYS A 19 2.399 -8.287 11.958 1.00 2.10 N ATOM 0 H LYS A 19 -2.272 -8.415 8.664 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.273 -6.393 7.093 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.237 -8.611 8.539 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.951 -7.106 7.993 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.686 -5.875 9.483 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.204 -7.428 10.110 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.641 -6.342 10.217 1.00 1.12 H new ATOM 0 HD3 LYS A 19 0.511 -6.359 11.557 1.00 1.12 H new ATOM 0 HE2 LYS A 19 0.420 -8.841 11.457 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.535 -8.832 10.105 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 2.610 -9.260 12.258 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 3.233 -7.881 11.488 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 2.157 -7.713 12.791 1.00 2.10 H new ATOM 91 N GLU A 20 -0.415 -9.363 5.919 1.00 0.41 N ATOM 92 CA GLU A 20 0.123 -10.061 4.753 1.00 0.41 C ATOM 93 C GLU A 20 -0.736 -9.824 3.508 1.00 0.34 C ATOM 94 O GLU A 20 -0.213 -9.689 2.402 1.00 0.30 O ATOM 95 CB GLU A 20 0.250 -11.562 5.044 1.00 0.57 C ATOM 96 CG GLU A 20 -1.048 -12.220 5.491 1.00 0.64 C ATOM 97 CD GLU A 20 -0.861 -13.676 5.869 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.540 -13.955 7.043 1.00 1.57 O ATOM 99 OE2 GLU A 20 -1.025 -14.550 4.990 1.00 1.49 O ATOM 0 H GLU A 20 -0.701 -9.979 6.680 1.00 0.41 H new ATOM 0 HA GLU A 20 1.114 -9.656 4.549 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.610 -12.066 4.147 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.004 -11.709 5.817 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.452 -11.676 6.344 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.783 -12.148 4.689 1.00 0.64 H new ATOM 106 N GLU A 21 -2.048 -9.748 3.701 1.00 0.37 N ATOM 107 CA GLU A 21 -2.981 -9.536 2.597 1.00 0.39 C ATOM 108 C GLU A 21 -2.843 -8.122 2.047 1.00 0.32 C ATOM 109 O GLU A 21 -2.871 -7.904 0.835 1.00 0.34 O ATOM 110 CB GLU A 21 -4.414 -9.767 3.073 1.00 0.50 C ATOM 111 CG GLU A 21 -4.675 -11.179 3.569 1.00 0.61 C ATOM 112 CD GLU A 21 -6.078 -11.360 4.109 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.284 -11.137 5.321 1.00 1.54 O ATOM 114 OE2 GLU A 21 -6.983 -11.740 3.338 1.00 1.49 O ATOM 0 H GLU A 21 -2.492 -9.830 4.615 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.746 -10.246 1.804 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.639 -9.063 3.874 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.099 -9.547 2.254 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.511 -11.882 2.753 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.955 -11.424 4.350 1.00 0.61 H new ATOM 121 N ILE A 22 -2.691 -7.169 2.953 1.00 0.30 N ATOM 122 CA ILE A 22 -2.532 -5.769 2.588 1.00 0.28 C ATOM 123 C ILE A 22 -1.231 -5.554 1.829 1.00 0.24 C ATOM 124 O ILE A 22 -1.221 -4.970 0.744 1.00 0.26 O ATOM 125 CB ILE A 22 -2.548 -4.875 3.842 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.867 -5.061 4.591 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.341 -3.412 3.465 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.834 -4.552 6.009 1.00 0.44 C ATOM 0 H ILE A 22 -2.674 -7.342 3.958 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.368 -5.496 1.944 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.727 -5.169 4.496 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.659 -4.546 4.048 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.123 -6.120 4.600 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.356 -2.799 4.366 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.380 -3.298 2.964 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.139 -3.092 2.795 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.804 -4.718 6.478 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.065 -5.084 6.569 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.609 -3.485 6.008 1.00 0.44 H new ATOM 135 N ALA A 23 -0.138 -6.049 2.401 1.00 0.20 N ATOM 136 CA ALA A 23 1.176 -5.919 1.787 1.00 0.19 C ATOM 137 C ALA A 23 1.202 -6.575 0.414 1.00 0.20 C ATOM 138 O ALA A 23 1.897 -6.115 -0.493 1.00 0.20 O ATOM 139 CB ALA A 23 2.240 -6.526 2.683 1.00 0.20 C ATOM 0 H ALA A 23 -0.138 -6.545 3.292 1.00 0.20 H new ATOM 0 HA ALA A 23 1.388 -4.857 1.660 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.217 -6.421 2.211 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.244 -6.011 3.643 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.024 -7.583 2.839 1.00 0.20 H new ATOM 145 N ALA A 24 0.425 -7.644 0.269 1.00 0.22 N ATOM 146 CA ALA A 24 0.296 -8.338 -1.001 1.00 0.25 C ATOM 147 C ALA A 24 -0.223 -7.395 -2.083 1.00 0.24 C ATOM 148 O ALA A 24 0.321 -7.337 -3.183 1.00 0.25 O ATOM 149 CB ALA A 24 -0.625 -9.537 -0.849 1.00 0.31 C ATOM 0 H ALA A 24 -0.128 -8.049 1.025 1.00 0.22 H new ATOM 0 HA ALA A 24 1.281 -8.690 -1.306 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.715 -10.050 -1.806 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.212 -10.221 -0.108 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.609 -9.201 -0.524 1.00 0.31 H new ATOM 155 N LEU A 25 -1.266 -6.641 -1.761 1.00 0.23 N ATOM 156 CA LEU A 25 -1.815 -5.670 -2.698 1.00 0.23 C ATOM 157 C LEU A 25 -0.859 -4.503 -2.896 1.00 0.22 C ATOM 158 O LEU A 25 -0.757 -3.957 -3.993 1.00 0.25 O ATOM 159 CB LEU A 25 -3.168 -5.146 -2.218 1.00 0.26 C ATOM 160 CG LEU A 25 -4.345 -6.104 -2.391 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.614 -5.466 -1.859 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.515 -6.485 -3.855 1.00 0.44 C ATOM 0 H LEU A 25 -1.747 -6.683 -0.862 1.00 0.23 H new ATOM 0 HA LEU A 25 -1.953 -6.181 -3.651 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.084 -4.889 -1.162 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.391 -4.224 -2.754 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.142 -7.013 -1.824 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.449 -6.155 -1.986 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.490 -5.237 -0.800 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.816 -4.546 -2.408 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.358 -7.168 -3.958 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.701 -5.588 -4.445 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.608 -6.973 -4.212 1.00 0.44 H new ATOM 174 N ILE A 26 -0.164 -4.129 -1.831 1.00 0.21 N ATOM 175 CA ILE A 26 0.792 -3.033 -1.886 1.00 0.22 C ATOM 176 C ILE A 26 1.906 -3.323 -2.891 1.00 0.20 C ATOM 177 O ILE A 26 2.153 -2.529 -3.803 1.00 0.23 O ATOM 178 CB ILE A 26 1.401 -2.748 -0.495 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.310 -2.270 0.471 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.517 -1.719 -0.598 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.802 -2.011 1.878 1.00 0.27 C ATOM 0 H ILE A 26 -0.245 -4.571 -0.915 1.00 0.21 H new ATOM 0 HA ILE A 26 0.247 -2.147 -2.213 1.00 0.22 H new ATOM 0 HB ILE A 26 1.829 -3.672 -0.106 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.133 -1.355 0.078 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.482 -3.018 0.506 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.932 -1.532 0.392 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.301 -2.097 -1.255 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.119 -0.790 -1.005 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.029 -1.677 2.498 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.218 -2.929 2.293 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.573 -1.240 1.858 1.00 0.27 H new ATOM 188 N VAL A 27 2.562 -4.470 -2.744 1.00 0.18 N ATOM 189 CA VAL A 27 3.639 -4.842 -3.653 1.00 0.20 C ATOM 190 C VAL A 27 3.091 -5.121 -5.052 1.00 0.22 C ATOM 191 O VAL A 27 3.759 -4.865 -6.055 1.00 0.24 O ATOM 192 CB VAL A 27 4.441 -6.067 -3.148 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.089 -5.763 -1.807 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.567 -7.306 -3.046 1.00 0.21 C ATOM 0 H VAL A 27 2.369 -5.152 -2.011 1.00 0.18 H new ATOM 0 HA VAL A 27 4.323 -3.994 -3.693 1.00 0.20 H new ATOM 0 HB VAL A 27 5.223 -6.273 -3.879 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.648 -6.635 -1.467 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.767 -4.916 -1.914 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.317 -5.520 -1.077 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.165 -8.144 -2.689 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.751 -7.119 -2.348 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.158 -7.545 -4.028 1.00 0.21 H new ATOM 198 N ASN A 28 1.860 -5.622 -5.112 1.00 0.26 N ATOM 199 CA ASN A 28 1.198 -5.891 -6.384 1.00 0.32 C ATOM 200 C ASN A 28 0.935 -4.589 -7.130 1.00 0.27 C ATOM 201 O ASN A 28 1.123 -4.505 -8.344 1.00 0.29 O ATOM 202 CB ASN A 28 -0.119 -6.633 -6.153 1.00 0.45 C ATOM 203 CG ASN A 28 -0.817 -7.015 -7.445 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.175 -7.289 -8.461 1.00 1.59 O ATOM 205 ND2 ASN A 28 -2.139 -7.039 -7.416 1.00 0.86 N ATOM 0 H ASN A 28 1.300 -5.850 -4.291 1.00 0.26 H new ATOM 0 HA ASN A 28 1.855 -6.518 -6.987 1.00 0.32 H new ATOM 0 HB2 ASN A 28 0.075 -7.534 -5.571 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.784 -6.006 -5.559 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.663 -7.291 -8.254 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -2.635 -6.806 -6.556 1.00 0.86 H new ATOM 212 N TYR A 29 0.509 -3.570 -6.392 1.00 0.25 N ATOM 213 CA TYR A 29 0.254 -2.255 -6.965 1.00 0.24 C ATOM 214 C TYR A 29 1.525 -1.688 -7.583 1.00 0.19 C ATOM 215 O TYR A 29 1.517 -1.220 -8.720 1.00 0.19 O ATOM 216 CB TYR A 29 -0.288 -1.300 -5.899 1.00 0.29 C ATOM 217 CG TYR A 29 -0.402 0.131 -6.372 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.266 0.474 -7.402 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.359 1.138 -5.791 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.368 1.776 -7.844 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.260 2.445 -6.226 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.603 2.757 -7.253 1.00 0.43 C ATOM 223 OH TYR A 29 -0.698 4.056 -7.696 1.00 0.50 O ATOM 0 H TYR A 29 0.332 -3.631 -5.389 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.497 -2.362 -7.748 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.270 -1.647 -5.577 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.364 -1.335 -5.026 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.869 -0.292 -7.866 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.038 0.895 -4.987 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -2.044 2.025 -8.649 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.856 3.218 -5.764 1.00 1.25 H new ATOM 0 HH TYR A 29 -1.347 4.105 -8.428 1.00 0.50 H new ATOM 233 N PHE A 30 2.618 -1.743 -6.833 1.00 0.16 N ATOM 234 CA PHE A 30 3.902 -1.265 -7.328 1.00 0.16 C ATOM 235 C PHE A 30 4.331 -2.062 -8.555 1.00 0.18 C ATOM 236 O PHE A 30 4.868 -1.504 -9.514 1.00 0.21 O ATOM 237 CB PHE A 30 4.973 -1.362 -6.241 1.00 0.19 C ATOM 238 CG PHE A 30 4.721 -0.493 -5.041 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.120 0.750 -5.172 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.106 -0.915 -3.780 1.00 1.19 C ATOM 241 CE1 PHE A 30 3.905 1.550 -4.066 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.893 -0.119 -2.671 1.00 1.22 C ATOM 243 CZ PHE A 30 4.293 1.115 -2.816 1.00 0.25 C ATOM 0 H PHE A 30 2.641 -2.113 -5.883 1.00 0.16 H new ATOM 0 HA PHE A 30 3.787 -0.218 -7.610 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.048 -2.399 -5.914 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.937 -1.093 -6.673 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.817 1.096 -6.149 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.579 -1.879 -3.662 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.434 2.515 -4.180 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.196 -0.462 -1.693 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.127 1.740 -1.951 1.00 0.25 H new ATOM 253 N SER A 31 4.069 -3.364 -8.524 1.00 0.21 N ATOM 254 CA SER A 31 4.382 -4.234 -9.648 1.00 0.27 C ATOM 255 C SER A 31 3.565 -3.840 -10.877 1.00 0.25 C ATOM 256 O SER A 31 4.053 -3.905 -11.998 1.00 0.27 O ATOM 257 CB SER A 31 4.114 -5.696 -9.285 1.00 0.35 C ATOM 258 OG SER A 31 4.891 -6.098 -8.166 1.00 1.15 O ATOM 0 H SER A 31 3.640 -3.839 -7.730 1.00 0.21 H new ATOM 0 HA SER A 31 5.440 -4.120 -9.882 1.00 0.27 H new ATOM 0 HB2 SER A 31 3.055 -5.830 -9.063 1.00 0.35 H new ATOM 0 HB3 SER A 31 4.344 -6.333 -10.139 1.00 0.35 H new ATOM 0 HG SER A 31 4.479 -5.761 -7.343 1.00 1.15 H new ATOM 264 N SER A 32 2.328 -3.414 -10.652 1.00 0.27 N ATOM 265 CA SER A 32 1.454 -2.985 -11.735 1.00 0.30 C ATOM 266 C SER A 32 2.031 -1.758 -12.442 1.00 0.28 C ATOM 267 O SER A 32 2.022 -1.676 -13.672 1.00 0.35 O ATOM 268 CB SER A 32 0.055 -2.677 -11.186 1.00 0.40 C ATOM 269 OG SER A 32 -0.840 -2.292 -12.218 1.00 0.99 O ATOM 0 H SER A 32 1.907 -3.357 -9.725 1.00 0.27 H new ATOM 0 HA SER A 32 1.379 -3.792 -12.463 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.337 -3.556 -10.674 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.122 -1.880 -10.446 1.00 0.40 H new ATOM 0 HG SER A 32 -1.722 -2.105 -11.833 1.00 0.99 H new ATOM 275 N ILE A 33 2.559 -0.821 -11.660 1.00 0.24 N ATOM 276 CA ILE A 33 3.098 0.419 -12.209 1.00 0.26 C ATOM 277 C ILE A 33 4.299 0.142 -13.110 1.00 0.26 C ATOM 278 O ILE A 33 4.411 0.703 -14.203 1.00 0.31 O ATOM 279 CB ILE A 33 3.525 1.401 -11.098 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.408 1.578 -10.067 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.891 2.747 -11.706 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.796 2.471 -8.907 1.00 0.34 C ATOM 0 H ILE A 33 2.625 -0.897 -10.645 1.00 0.24 H new ATOM 0 HA ILE A 33 2.298 0.874 -12.793 1.00 0.26 H new ATOM 0 HB ILE A 33 4.396 0.987 -10.591 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.531 1.997 -10.561 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.120 0.600 -9.682 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.191 3.434 -10.915 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.716 2.618 -12.407 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.028 3.155 -12.233 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.958 2.553 -8.215 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.654 2.043 -8.389 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.055 3.461 -9.281 1.00 0.34 H new ATOM 289 N VAL A 34 5.190 -0.732 -12.655 1.00 0.24 N ATOM 290 CA VAL A 34 6.388 -1.065 -13.420 1.00 0.31 C ATOM 291 C VAL A 34 6.066 -2.054 -14.539 1.00 0.37 C ATOM 292 O VAL A 34 6.805 -2.162 -15.517 1.00 0.47 O ATOM 293 CB VAL A 34 7.510 -1.641 -12.524 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.921 -0.634 -11.462 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.084 -2.950 -11.876 1.00 0.33 C ATOM 0 H VAL A 34 5.107 -1.221 -11.764 1.00 0.24 H new ATOM 0 HA VAL A 34 6.748 -0.133 -13.856 1.00 0.31 H new ATOM 0 HB VAL A 34 8.370 -1.845 -13.162 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.711 -1.060 -10.843 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.286 0.273 -11.943 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.061 -0.393 -10.837 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.895 -3.328 -11.253 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.201 -2.780 -11.259 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.850 -3.680 -12.651 1.00 0.33 H new ATOM 299 N GLU A 35 4.955 -2.767 -14.393 1.00 0.35 N ATOM 300 CA GLU A 35 4.527 -3.735 -15.394 1.00 0.46 C ATOM 301 C GLU A 35 4.078 -3.021 -16.662 1.00 0.50 C ATOM 302 O GLU A 35 4.445 -3.410 -17.769 1.00 0.61 O ATOM 303 CB GLU A 35 3.387 -4.596 -14.849 1.00 0.50 C ATOM 304 CG GLU A 35 3.104 -5.833 -15.683 1.00 0.70 C ATOM 305 CD GLU A 35 4.300 -6.757 -15.757 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.644 -7.374 -14.729 1.00 2.19 O ATOM 307 OE2 GLU A 35 4.910 -6.862 -16.839 1.00 2.22 O ATOM 0 H GLU A 35 4.333 -2.692 -13.588 1.00 0.35 H new ATOM 0 HA GLU A 35 5.372 -4.381 -15.633 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.629 -4.902 -13.831 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.482 -3.991 -14.793 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.257 -6.371 -15.257 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.816 -5.532 -16.690 1.00 0.70 H new ATOM 314 N LYS A 36 3.292 -1.965 -16.492 1.00 0.47 N ATOM 315 CA LYS A 36 2.832 -1.171 -17.624 1.00 0.54 C ATOM 316 C LYS A 36 3.849 -0.086 -17.972 1.00 0.50 C ATOM 317 O LYS A 36 3.637 0.727 -18.872 1.00 0.60 O ATOM 318 CB LYS A 36 1.460 -0.553 -17.331 1.00 0.67 C ATOM 319 CG LYS A 36 1.427 0.329 -16.092 1.00 0.71 C ATOM 320 CD LYS A 36 0.023 0.846 -15.816 1.00 0.97 C ATOM 321 CE LYS A 36 -0.023 1.692 -14.553 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.396 2.183 -14.259 1.00 2.08 N ATOM 0 H LYS A 36 2.961 -1.639 -15.584 1.00 0.47 H new ATOM 0 HA LYS A 36 2.731 -1.832 -18.485 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.148 0.038 -18.192 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.730 -1.354 -17.213 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.784 -0.237 -15.231 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.107 1.171 -16.224 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.321 1.438 -16.664 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.662 0.004 -15.716 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.340 1.104 -13.710 1.00 1.42 H new ATOM 0 HE3 LYS A 36 0.650 2.542 -14.662 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.382 2.755 -13.390 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.733 2.766 -15.052 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -2.034 1.372 -14.129 1.00 2.08 H new ATOM 336 N LYS A 37 4.952 -0.100 -17.220 1.00 0.47 N ATOM 337 CA LYS A 37 6.083 0.806 -17.418 1.00 0.54 C ATOM 338 C LYS A 37 5.642 2.271 -17.405 1.00 0.59 C ATOM 339 O LYS A 37 5.959 3.041 -18.313 1.00 0.75 O ATOM 340 CB LYS A 37 6.815 0.477 -18.723 1.00 0.71 C ATOM 341 CG LYS A 37 8.193 1.110 -18.815 1.00 1.18 C ATOM 342 CD LYS A 37 8.849 0.849 -20.156 1.00 1.41 C ATOM 343 CE LYS A 37 10.235 1.470 -20.216 1.00 1.98 C ATOM 344 NZ LYS A 37 10.202 2.934 -19.954 1.00 2.60 N ATOM 0 H LYS A 37 5.085 -0.751 -16.446 1.00 0.47 H new ATOM 0 HA LYS A 37 6.770 0.661 -16.585 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.913 -0.605 -18.814 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.211 0.814 -19.565 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.110 2.185 -18.655 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.826 0.718 -18.019 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.920 -0.225 -20.327 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.229 1.258 -20.954 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.881 0.985 -19.484 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.672 1.287 -21.198 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.110 3.357 -20.233 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.434 3.368 -20.505 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.039 3.102 -18.941 1.00 2.60 H new ATOM 358 N GLU A 38 4.923 2.659 -16.363 1.00 0.54 N ATOM 359 CA GLU A 38 4.421 4.019 -16.264 1.00 0.68 C ATOM 360 C GLU A 38 5.396 4.857 -15.450 1.00 0.69 C ATOM 361 O GLU A 38 5.628 6.028 -15.740 1.00 1.03 O ATOM 362 CB GLU A 38 3.026 4.015 -15.623 1.00 0.79 C ATOM 363 CG GLU A 38 2.179 5.249 -15.924 1.00 1.36 C ATOM 364 CD GLU A 38 2.564 6.465 -15.106 1.00 1.41 C ATOM 365 OE1 GLU A 38 2.221 6.513 -13.910 1.00 1.86 O ATOM 366 OE2 GLU A 38 3.199 7.386 -15.657 1.00 2.12 O ATOM 0 H GLU A 38 4.676 2.055 -15.579 1.00 0.54 H new ATOM 0 HA GLU A 38 4.334 4.455 -17.259 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.488 3.130 -15.964 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.138 3.924 -14.543 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.269 5.491 -16.983 1.00 1.36 H new ATOM 0 HG3 GLU A 38 1.131 5.014 -15.738 1.00 1.36 H new ATOM 373 N ILE A 39 5.999 4.228 -14.455 1.00 0.42 N ATOM 374 CA ILE A 39 6.918 4.919 -13.564 1.00 0.43 C ATOM 375 C ILE A 39 8.318 4.976 -14.181 1.00 0.48 C ATOM 376 O ILE A 39 8.694 4.115 -14.983 1.00 0.51 O ATOM 377 CB ILE A 39 6.960 4.234 -12.176 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.659 5.126 -11.150 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.646 2.877 -12.259 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.514 4.634 -9.727 1.00 0.47 C ATOM 0 H ILE A 39 5.869 3.239 -14.243 1.00 0.42 H new ATOM 0 HA ILE A 39 6.559 5.939 -13.426 1.00 0.43 H new ATOM 0 HB ILE A 39 5.932 4.077 -11.849 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.718 5.191 -11.398 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.253 6.135 -11.221 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.663 2.417 -11.271 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.100 2.235 -12.950 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.668 3.007 -12.616 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.034 5.314 -9.052 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.458 4.596 -9.461 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.946 3.637 -9.641 1.00 0.47 H new ATOM 387 N SER A 40 9.073 6.003 -13.820 1.00 0.54 N ATOM 388 CA SER A 40 10.396 6.219 -14.381 1.00 0.62 C ATOM 389 C SER A 40 11.423 5.265 -13.771 1.00 0.53 C ATOM 390 O SER A 40 11.173 4.671 -12.719 1.00 0.48 O ATOM 391 CB SER A 40 10.802 7.673 -14.157 1.00 0.76 C ATOM 392 OG SER A 40 9.800 8.550 -14.652 1.00 1.82 O ATOM 0 H SER A 40 8.788 6.704 -13.136 1.00 0.54 H new ATOM 0 HA SER A 40 10.365 6.012 -15.451 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.959 7.853 -13.094 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.749 7.874 -14.658 1.00 0.76 H new ATOM 0 HG SER A 40 10.074 9.479 -14.500 1.00 1.82 H new ATOM 398 N GLU A 41 12.572 5.126 -14.433 1.00 0.59 N ATOM 399 CA GLU A 41 13.591 4.143 -14.054 1.00 0.60 C ATOM 400 C GLU A 41 13.957 4.218 -12.573 1.00 0.49 C ATOM 401 O GLU A 41 13.952 3.202 -11.872 1.00 0.46 O ATOM 402 CB GLU A 41 14.849 4.339 -14.897 1.00 0.78 C ATOM 403 CG GLU A 41 14.643 4.077 -16.378 1.00 1.07 C ATOM 404 CD GLU A 41 15.921 4.240 -17.172 1.00 1.43 C ATOM 405 OE1 GLU A 41 16.791 3.350 -17.091 1.00 1.99 O ATOM 406 OE2 GLU A 41 16.065 5.262 -17.873 1.00 2.19 O ATOM 0 H GLU A 41 12.823 5.689 -15.245 1.00 0.59 H new ATOM 0 HA GLU A 41 13.163 3.158 -14.239 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.208 5.360 -14.765 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.630 3.676 -14.526 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.258 3.067 -16.516 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.888 4.761 -16.764 1.00 1.07 H new ATOM 413 N ASP A 42 14.267 5.422 -12.105 1.00 0.52 N ATOM 414 CA ASP A 42 14.680 5.623 -10.718 1.00 0.52 C ATOM 415 C ASP A 42 13.578 5.197 -9.760 1.00 0.43 C ATOM 416 O ASP A 42 13.840 4.560 -8.739 1.00 0.47 O ATOM 417 CB ASP A 42 15.053 7.087 -10.467 1.00 0.62 C ATOM 418 CG ASP A 42 16.310 7.501 -11.204 1.00 1.50 C ATOM 419 OD1 ASP A 42 17.418 7.266 -10.677 1.00 2.30 O ATOM 420 OD2 ASP A 42 16.197 8.057 -12.319 1.00 2.21 O ATOM 0 H ASP A 42 14.241 6.274 -12.664 1.00 0.52 H new ATOM 0 HA ASP A 42 15.559 5.004 -10.539 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.227 7.727 -10.777 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.194 7.244 -9.398 1.00 0.62 H new ATOM 425 N GLY A 43 12.344 5.536 -10.106 1.00 0.39 N ATOM 426 CA GLY A 43 11.211 5.136 -9.300 1.00 0.37 C ATOM 427 C GLY A 43 11.018 3.633 -9.300 1.00 0.34 C ATOM 428 O GLY A 43 10.746 3.038 -8.260 1.00 0.35 O ATOM 0 H GLY A 43 12.108 6.083 -10.934 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.353 5.483 -8.277 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.309 5.618 -9.678 1.00 0.37 H new ATOM 432 N ALA A 44 11.176 3.023 -10.469 1.00 0.33 N ATOM 433 CA ALA A 44 11.041 1.580 -10.612 1.00 0.33 C ATOM 434 C ALA A 44 12.069 0.851 -9.755 1.00 0.32 C ATOM 435 O ALA A 44 11.736 -0.095 -9.041 1.00 0.31 O ATOM 436 CB ALA A 44 11.187 1.177 -12.073 1.00 0.38 C ATOM 0 H ALA A 44 11.399 3.510 -11.337 1.00 0.33 H new ATOM 0 HA ALA A 44 10.047 1.295 -10.268 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.084 0.096 -12.164 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.413 1.667 -12.665 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.169 1.480 -12.438 1.00 0.38 H new ATOM 442 N ASP A 45 13.316 1.308 -9.815 1.00 0.36 N ATOM 443 CA ASP A 45 14.391 0.711 -9.027 1.00 0.38 C ATOM 444 C ASP A 45 14.127 0.884 -7.538 1.00 0.36 C ATOM 445 O ASP A 45 14.375 -0.024 -6.742 1.00 0.37 O ATOM 446 CB ASP A 45 15.741 1.334 -9.391 1.00 0.48 C ATOM 447 CG ASP A 45 16.881 0.752 -8.577 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.274 -0.405 -8.835 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.387 1.445 -7.672 1.00 1.81 O ATOM 0 H ASP A 45 13.608 2.090 -10.401 1.00 0.36 H new ATOM 0 HA ASP A 45 14.423 -0.354 -9.257 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.937 1.177 -10.452 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.696 2.411 -9.232 1.00 0.48 H new ATOM 454 N SER A 46 13.607 2.048 -7.172 1.00 0.38 N ATOM 455 CA SER A 46 13.252 2.326 -5.790 1.00 0.41 C ATOM 456 C SER A 46 12.174 1.354 -5.309 1.00 0.36 C ATOM 457 O SER A 46 12.228 0.858 -4.185 1.00 0.39 O ATOM 458 CB SER A 46 12.770 3.771 -5.653 1.00 0.51 C ATOM 459 OG SER A 46 13.766 4.685 -6.083 1.00 0.98 O ATOM 0 H SER A 46 13.422 2.816 -7.817 1.00 0.38 H new ATOM 0 HA SER A 46 14.136 2.192 -5.167 1.00 0.41 H new ATOM 0 HB2 SER A 46 11.864 3.913 -6.242 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.510 3.974 -4.614 1.00 0.51 H new ATOM 0 HG SER A 46 13.647 4.873 -7.037 1.00 0.98 H new ATOM 465 N LEU A 47 11.210 1.069 -6.178 1.00 0.32 N ATOM 466 CA LEU A 47 10.142 0.133 -5.853 1.00 0.30 C ATOM 467 C LEU A 47 10.679 -1.284 -5.697 1.00 0.27 C ATOM 468 O LEU A 47 10.154 -2.066 -4.907 1.00 0.29 O ATOM 469 CB LEU A 47 9.052 0.160 -6.926 1.00 0.30 C ATOM 470 CG LEU A 47 8.215 1.439 -6.967 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.182 1.365 -8.080 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.541 1.670 -5.624 1.00 0.41 C ATOM 0 H LEU A 47 11.147 1.473 -7.112 1.00 0.32 H new ATOM 0 HA LEU A 47 9.710 0.445 -4.902 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.519 0.019 -7.901 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.385 -0.687 -6.766 1.00 0.30 H new ATOM 0 HG LEU A 47 8.876 2.281 -7.172 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.596 2.284 -8.094 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.687 1.242 -9.038 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.521 0.516 -7.907 1.00 0.39 H new ATOM 0 HD21 LEU A 47 6.948 2.584 -5.667 1.00 0.41 H new ATOM 0 HD22 LEU A 47 6.891 0.826 -5.393 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.300 1.766 -4.848 1.00 0.41 H new ATOM 484 N ASN A 48 11.729 -1.606 -6.442 1.00 0.26 N ATOM 485 CA ASN A 48 12.326 -2.936 -6.382 1.00 0.26 C ATOM 486 C ASN A 48 12.901 -3.208 -4.994 1.00 0.28 C ATOM 487 O ASN A 48 12.493 -4.159 -4.325 1.00 0.32 O ATOM 488 CB ASN A 48 13.427 -3.093 -7.437 1.00 0.28 C ATOM 489 CG ASN A 48 12.911 -3.042 -8.865 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.605 -2.570 -9.766 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.706 -3.540 -9.092 1.00 0.40 N ATOM 0 H ASN A 48 12.184 -0.967 -7.094 1.00 0.26 H new ATOM 0 HA ASN A 48 11.538 -3.661 -6.588 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.167 -2.305 -7.298 1.00 0.28 H new ATOM 0 HB3 ASN A 48 13.939 -4.042 -7.278 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.324 -3.541 -10.038 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.159 -3.923 -8.321 1.00 0.40 H new ATOM 498 N VAL A 49 13.834 -2.365 -4.555 1.00 0.27 N ATOM 499 CA VAL A 49 14.456 -2.537 -3.242 1.00 0.29 C ATOM 500 C VAL A 49 13.413 -2.413 -2.134 1.00 0.30 C ATOM 501 O VAL A 49 13.474 -3.118 -1.125 1.00 0.32 O ATOM 502 CB VAL A 49 15.613 -1.530 -3.001 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.133 -0.091 -3.097 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.278 -1.779 -1.652 1.00 0.36 C ATOM 0 H VAL A 49 14.174 -1.562 -5.084 1.00 0.27 H new ATOM 0 HA VAL A 49 14.885 -3.539 -3.222 1.00 0.29 H new ATOM 0 HB VAL A 49 16.350 -1.689 -3.788 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.971 0.584 -2.923 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.722 0.090 -4.090 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.362 0.086 -2.347 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.085 -1.061 -1.506 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.542 -1.664 -0.857 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.683 -2.791 -1.627 1.00 0.36 H new ATOM 508 N ALA A 50 12.438 -1.533 -2.343 1.00 0.30 N ATOM 509 CA ALA A 50 11.355 -1.358 -1.391 1.00 0.34 C ATOM 510 C ALA A 50 10.545 -2.639 -1.261 1.00 0.34 C ATOM 511 O ALA A 50 10.168 -3.033 -0.164 1.00 0.37 O ATOM 512 CB ALA A 50 10.453 -0.207 -1.814 1.00 0.37 C ATOM 0 H ALA A 50 12.379 -0.932 -3.165 1.00 0.30 H new ATOM 0 HA ALA A 50 11.790 -1.121 -0.420 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.647 -0.091 -1.089 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.035 0.713 -1.860 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.030 -0.418 -2.796 1.00 0.37 H new ATOM 518 N MET A 51 10.315 -3.299 -2.388 1.00 0.34 N ATOM 519 CA MET A 51 9.469 -4.485 -2.435 1.00 0.39 C ATOM 520 C MET A 51 10.066 -5.628 -1.633 1.00 0.31 C ATOM 521 O MET A 51 9.350 -6.330 -0.915 1.00 0.30 O ATOM 522 CB MET A 51 9.261 -4.914 -3.880 1.00 0.52 C ATOM 523 CG MET A 51 8.138 -5.916 -4.059 1.00 0.62 C ATOM 524 SD MET A 51 7.367 -5.775 -5.677 1.00 0.65 S ATOM 525 CE MET A 51 7.026 -4.013 -5.699 1.00 0.41 C ATOM 0 H MET A 51 10.707 -3.030 -3.291 1.00 0.34 H new ATOM 0 HA MET A 51 8.508 -4.231 -1.988 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.050 -4.032 -4.485 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.187 -5.347 -4.259 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.528 -6.926 -3.929 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.387 -5.762 -3.284 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.193 -3.812 -6.373 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.768 -3.680 -4.694 1.00 0.41 H new ATOM 0 HE3 MET A 51 7.909 -3.476 -6.044 1.00 0.41 H new ATOM 535 N ASP A 52 11.372 -5.817 -1.759 1.00 0.31 N ATOM 536 CA ASP A 52 12.072 -6.831 -0.978 1.00 0.32 C ATOM 537 C ASP A 52 11.954 -6.524 0.505 1.00 0.28 C ATOM 538 O ASP A 52 11.819 -7.424 1.331 1.00 0.30 O ATOM 539 CB ASP A 52 13.545 -6.909 -1.381 1.00 0.42 C ATOM 540 CG ASP A 52 13.767 -7.784 -2.596 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.537 -7.315 -3.729 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.178 -8.953 -2.419 1.00 1.84 O ATOM 0 H ASP A 52 11.968 -5.284 -2.392 1.00 0.31 H new ATOM 0 HA ASP A 52 11.609 -7.797 -1.180 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.916 -5.905 -1.587 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.127 -7.298 -0.546 1.00 0.42 H new ATOM 547 N CYS A 53 11.981 -5.241 0.828 1.00 0.27 N ATOM 548 CA CYS A 53 11.846 -4.796 2.202 1.00 0.27 C ATOM 549 C CYS A 53 10.418 -5.008 2.705 1.00 0.29 C ATOM 550 O CYS A 53 10.220 -5.507 3.809 1.00 0.36 O ATOM 551 CB CYS A 53 12.241 -3.326 2.309 1.00 0.36 C ATOM 552 SG CYS A 53 13.945 -2.996 1.804 1.00 1.05 S ATOM 0 H CYS A 53 12.096 -4.487 0.151 1.00 0.27 H new ATOM 0 HA CYS A 53 12.512 -5.389 2.829 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.567 -2.731 1.693 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.106 -2.996 3.339 1.00 0.36 H new ATOM 0 HG CYS A 53 14.047 -3.122 0.514 1.00 1.05 H new ATOM 558 N ILE A 54 9.431 -4.638 1.888 1.00 0.26 N ATOM 559 CA ILE A 54 8.022 -4.834 2.235 1.00 0.29 C ATOM 560 C ILE A 54 7.748 -6.306 2.520 1.00 0.30 C ATOM 561 O ILE A 54 7.240 -6.666 3.581 1.00 0.33 O ATOM 562 CB ILE A 54 7.073 -4.381 1.096 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.334 -2.925 0.702 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.617 -4.555 1.519 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.610 -2.493 -0.561 1.00 0.34 C ATOM 0 H ILE A 54 9.581 -4.200 0.979 1.00 0.26 H new ATOM 0 HA ILE A 54 7.830 -4.226 3.119 1.00 0.29 H new ATOM 0 HB ILE A 54 7.270 -5.009 0.227 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.031 -2.276 1.524 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.406 -2.783 0.562 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.962 -4.233 0.709 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.426 -5.604 1.744 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.421 -3.952 2.406 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.844 -1.450 -0.776 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.931 -3.116 -1.396 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.535 -2.602 -0.419 1.00 0.34 H new ATOM 572 N SER A 55 8.120 -7.149 1.566 1.00 0.30 N ATOM 573 CA SER A 55 7.864 -8.578 1.650 1.00 0.36 C ATOM 574 C SER A 55 8.525 -9.186 2.887 1.00 0.38 C ATOM 575 O SER A 55 7.883 -9.907 3.656 1.00 0.41 O ATOM 576 CB SER A 55 8.379 -9.263 0.383 1.00 0.40 C ATOM 577 OG SER A 55 7.864 -8.631 -0.779 1.00 0.80 O ATOM 0 H SER A 55 8.606 -6.862 0.716 1.00 0.30 H new ATOM 0 HA SER A 55 6.789 -8.734 1.737 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.468 -9.233 0.366 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.089 -10.314 0.389 1.00 0.40 H new ATOM 0 HG SER A 55 8.384 -7.823 -0.970 1.00 0.80 H new ATOM 583 N GLU A 56 9.796 -8.865 3.088 1.00 0.39 N ATOM 584 CA GLU A 56 10.566 -9.440 4.181 1.00 0.48 C ATOM 585 C GLU A 56 10.083 -8.912 5.530 1.00 0.43 C ATOM 586 O GLU A 56 10.169 -9.602 6.545 1.00 0.46 O ATOM 587 CB GLU A 56 12.052 -9.134 3.989 1.00 0.60 C ATOM 588 CG GLU A 56 12.964 -10.049 4.782 1.00 0.83 C ATOM 589 CD GLU A 56 12.721 -11.511 4.468 1.00 1.81 C ATOM 590 OE1 GLU A 56 12.935 -11.920 3.307 1.00 2.38 O ATOM 591 OE2 GLU A 56 12.294 -12.255 5.377 1.00 2.66 O ATOM 0 H GLU A 56 10.316 -8.208 2.507 1.00 0.39 H new ATOM 0 HA GLU A 56 10.421 -10.520 4.173 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.298 -9.217 2.930 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.243 -8.101 4.281 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.003 -9.800 4.565 1.00 0.83 H new ATOM 0 HG3 GLU A 56 12.811 -9.878 5.847 1.00 0.83 H new ATOM 598 N ALA A 57 9.560 -7.690 5.535 1.00 0.39 N ATOM 599 CA ALA A 57 9.063 -7.074 6.758 1.00 0.39 C ATOM 600 C ALA A 57 7.824 -7.794 7.276 1.00 0.33 C ATOM 601 O ALA A 57 7.655 -7.971 8.483 1.00 0.39 O ATOM 602 CB ALA A 57 8.759 -5.602 6.527 1.00 0.42 C ATOM 0 H ALA A 57 9.470 -7.106 4.703 1.00 0.39 H new ATOM 0 HA ALA A 57 9.843 -7.158 7.515 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.389 -5.158 7.451 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.668 -5.087 6.216 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.002 -5.505 5.749 1.00 0.42 H new ATOM 608 N PHE A 58 6.958 -8.206 6.359 1.00 0.29 N ATOM 609 CA PHE A 58 5.724 -8.887 6.730 1.00 0.28 C ATOM 610 C PHE A 58 5.940 -10.390 6.860 1.00 0.30 C ATOM 611 O PHE A 58 5.256 -11.063 7.632 1.00 0.38 O ATOM 612 CB PHE A 58 4.628 -8.599 5.705 1.00 0.26 C ATOM 613 CG PHE A 58 4.088 -7.199 5.780 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.821 -6.127 5.300 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.844 -6.960 6.332 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.324 -4.843 5.372 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.339 -5.676 6.405 1.00 1.22 C ATOM 618 CZ PHE A 58 3.080 -4.617 5.925 1.00 0.28 C ATOM 0 H PHE A 58 7.087 -8.081 5.355 1.00 0.29 H new ATOM 0 HA PHE A 58 5.410 -8.505 7.701 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.023 -8.774 4.704 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.810 -9.304 5.853 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.794 -6.299 4.864 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.260 -7.786 6.711 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.907 -4.015 4.996 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.365 -5.502 6.838 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.688 -3.612 5.982 1.00 0.28 H new ATOM 628 N GLY A 59 6.897 -10.911 6.107 1.00 0.34 N ATOM 629 CA GLY A 59 7.237 -12.313 6.216 1.00 0.39 C ATOM 630 C GLY A 59 6.735 -13.137 5.048 1.00 0.38 C ATOM 631 O GLY A 59 6.268 -14.264 5.232 1.00 0.43 O ATOM 0 H GLY A 59 7.444 -10.388 5.423 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.320 -12.414 6.286 1.00 0.39 H new ATOM 0 HA3 GLY A 59 6.819 -12.712 7.141 1.00 0.39 H new ATOM 635 N PHE A 60 6.821 -12.583 3.849 1.00 0.35 N ATOM 636 CA PHE A 60 6.448 -13.313 2.646 1.00 0.39 C ATOM 637 C PHE A 60 7.430 -12.996 1.527 1.00 0.40 C ATOM 638 O PHE A 60 8.215 -12.056 1.632 1.00 0.42 O ATOM 639 CB PHE A 60 5.008 -12.983 2.218 1.00 0.40 C ATOM 640 CG PHE A 60 4.799 -11.578 1.714 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.521 -10.544 2.591 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.864 -11.298 0.356 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.317 -9.259 2.126 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.659 -10.016 -0.113 1.00 1.20 C ATOM 645 CZ PHE A 60 4.386 -8.994 0.773 1.00 0.33 C ATOM 0 H PHE A 60 7.146 -11.631 3.682 1.00 0.35 H new ATOM 0 HA PHE A 60 6.488 -14.381 2.862 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.708 -13.681 1.437 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.345 -13.151 3.067 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.463 -10.744 3.651 1.00 1.19 H new ATOM 0 HD2 PHE A 60 5.078 -12.093 -0.343 1.00 1.22 H new ATOM 0 HE1 PHE A 60 4.103 -8.461 2.822 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.712 -9.813 -1.172 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.227 -7.990 0.409 1.00 0.33 H new ATOM 655 N GLU A 61 7.400 -13.789 0.469 1.00 0.48 N ATOM 656 CA GLU A 61 8.303 -13.588 -0.653 1.00 0.55 C ATOM 657 C GLU A 61 7.598 -12.858 -1.787 1.00 0.50 C ATOM 658 O GLU A 61 6.383 -12.989 -1.949 1.00 0.48 O ATOM 659 CB GLU A 61 8.842 -14.928 -1.154 1.00 0.70 C ATOM 660 CG GLU A 61 9.575 -15.725 -0.088 1.00 0.81 C ATOM 661 CD GLU A 61 10.148 -17.017 -0.625 1.00 1.48 C ATOM 662 OE1 GLU A 61 9.380 -17.990 -0.793 1.00 2.33 O ATOM 663 OE2 GLU A 61 11.369 -17.068 -0.879 1.00 2.05 O ATOM 0 H GLU A 61 6.761 -14.577 0.363 1.00 0.48 H new ATOM 0 HA GLU A 61 9.138 -12.977 -0.309 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.013 -15.524 -1.536 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.517 -14.749 -1.991 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.380 -15.118 0.326 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.890 -15.947 0.731 1.00 0.81 H new ATOM 670 N ARG A 62 8.355 -12.104 -2.574 1.00 0.54 N ATOM 671 CA ARG A 62 7.799 -11.366 -3.708 1.00 0.53 C ATOM 672 C ARG A 62 7.102 -12.328 -4.656 1.00 0.53 C ATOM 673 O ARG A 62 5.988 -12.086 -5.106 1.00 0.64 O ATOM 674 CB ARG A 62 8.898 -10.636 -4.481 1.00 0.63 C ATOM 675 CG ARG A 62 9.877 -9.857 -3.618 1.00 1.40 C ATOM 676 CD ARG A 62 11.047 -9.349 -4.448 1.00 1.46 C ATOM 677 NE ARG A 62 11.635 -10.413 -5.269 1.00 2.25 N ATOM 678 CZ ARG A 62 12.901 -10.442 -5.685 1.00 2.60 C ATOM 679 NH1 ARG A 62 13.752 -9.484 -5.343 1.00 2.13 N ATOM 680 NH2 ARG A 62 13.313 -11.445 -6.444 1.00 3.67 N ATOM 0 H ARG A 62 9.360 -11.985 -2.449 1.00 0.54 H new ATOM 0 HA ARG A 62 7.091 -10.636 -3.316 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.455 -11.366 -5.069 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.431 -9.949 -5.186 1.00 0.63 H new ATOM 0 HG2 ARG A 62 9.366 -9.016 -3.150 1.00 1.40 H new ATOM 0 HG3 ARG A 62 10.246 -10.494 -2.814 1.00 1.40 H new ATOM 0 HD2 ARG A 62 10.710 -8.537 -5.092 1.00 1.46 H new ATOM 0 HD3 ARG A 62 11.809 -8.936 -3.787 1.00 1.46 H new ATOM 0 HE ARG A 62 11.030 -11.188 -5.542 1.00 2.25 H new ATOM 0 HH11 ARG A 62 13.441 -8.712 -4.754 1.00 2.13 H new ATOM 0 HH12 ARG A 62 14.718 -9.520 -5.669 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.664 -12.187 -6.706 1.00 3.67 H new ATOM 0 HH22 ARG A 62 14.280 -11.476 -6.767 1.00 3.67 H new ATOM 694 N GLU A 63 7.764 -13.442 -4.925 1.00 0.58 N ATOM 695 CA GLU A 63 7.270 -14.430 -5.875 1.00 0.64 C ATOM 696 C GLU A 63 6.129 -15.253 -5.276 1.00 0.63 C ATOM 697 O GLU A 63 5.637 -16.194 -5.899 1.00 0.75 O ATOM 698 CB GLU A 63 8.405 -15.365 -6.315 1.00 0.74 C ATOM 699 CG GLU A 63 9.550 -14.680 -7.063 1.00 1.70 C ATOM 700 CD GLU A 63 10.334 -13.704 -6.206 1.00 2.53 C ATOM 701 OE1 GLU A 63 10.756 -14.085 -5.094 1.00 3.20 O ATOM 702 OE2 GLU A 63 10.518 -12.545 -6.634 1.00 3.12 O ATOM 0 H GLU A 63 8.655 -13.688 -4.494 1.00 0.58 H new ATOM 0 HA GLU A 63 6.889 -13.892 -6.743 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.811 -15.860 -5.433 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.988 -16.144 -6.953 1.00 0.74 H new ATOM 0 HG2 GLU A 63 10.229 -15.441 -7.447 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.145 -14.150 -7.925 1.00 1.70 H new ATOM 709 N ALA A 64 5.712 -14.899 -4.065 1.00 0.55 N ATOM 710 CA ALA A 64 4.656 -15.627 -3.380 1.00 0.60 C ATOM 711 C ALA A 64 3.394 -14.782 -3.235 1.00 0.54 C ATOM 712 O ALA A 64 2.383 -15.254 -2.711 1.00 0.57 O ATOM 713 CB ALA A 64 5.142 -16.089 -2.015 1.00 0.67 C ATOM 0 H ALA A 64 6.091 -14.111 -3.539 1.00 0.55 H new ATOM 0 HA ALA A 64 4.402 -16.498 -3.985 1.00 0.60 H new ATOM 0 HB1 ALA A 64 4.344 -16.633 -1.510 1.00 0.67 H new ATOM 0 HB2 ALA A 64 6.005 -16.743 -2.138 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.425 -15.223 -1.417 1.00 0.67 H new ATOM 719 N VAL A 65 3.450 -13.539 -3.707 1.00 0.51 N ATOM 720 CA VAL A 65 2.309 -12.629 -3.595 1.00 0.47 C ATOM 721 C VAL A 65 1.124 -13.134 -4.417 1.00 0.53 C ATOM 722 O VAL A 65 -0.033 -12.972 -4.023 1.00 0.54 O ATOM 723 CB VAL A 65 2.673 -11.185 -4.026 1.00 0.47 C ATOM 724 CG1 VAL A 65 3.195 -11.146 -5.447 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.479 -10.258 -3.887 1.00 0.50 C ATOM 0 H VAL A 65 4.267 -13.139 -4.168 1.00 0.51 H new ATOM 0 HA VAL A 65 2.027 -12.605 -2.542 1.00 0.47 H new ATOM 0 HB VAL A 65 3.464 -10.840 -3.361 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.440 -10.119 -5.716 1.00 0.51 H new ATOM 0 HG12 VAL A 65 4.089 -11.765 -5.523 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.432 -11.527 -6.126 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.762 -9.252 -4.196 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.665 -10.616 -4.518 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.151 -10.240 -2.848 1.00 0.50 H new ATOM 729 N SER A 66 1.420 -13.773 -5.541 1.00 0.63 N ATOM 730 CA SER A 66 0.392 -14.318 -6.411 1.00 0.75 C ATOM 731 C SER A 66 -0.429 -15.382 -5.682 1.00 0.76 C ATOM 732 O SER A 66 -1.655 -15.437 -5.817 1.00 0.84 O ATOM 733 CB SER A 66 1.049 -14.892 -7.664 1.00 0.89 C ATOM 734 OG SER A 66 2.254 -15.561 -7.331 1.00 1.63 O ATOM 0 H SER A 66 2.373 -13.926 -5.872 1.00 0.63 H new ATOM 0 HA SER A 66 -0.294 -13.523 -6.702 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.366 -15.584 -8.155 1.00 0.89 H new ATOM 0 HB3 SER A 66 1.255 -14.090 -8.373 1.00 0.89 H new ATOM 0 HG SER A 66 2.662 -15.925 -8.145 1.00 1.63 H new ATOM 740 N GLY A 67 0.254 -16.207 -4.894 1.00 0.73 N ATOM 741 CA GLY A 67 -0.423 -17.218 -4.109 1.00 0.75 C ATOM 742 C GLY A 67 -1.252 -16.611 -2.995 1.00 0.70 C ATOM 743 O GLY A 67 -2.349 -17.083 -2.701 1.00 0.76 O ATOM 0 H GLY A 67 1.268 -16.191 -4.786 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.067 -17.810 -4.759 1.00 0.75 H new ATOM 0 HA3 GLY A 67 0.313 -17.899 -3.683 1.00 0.75 H new ATOM 747 N ILE A 68 -0.728 -15.554 -2.380 1.00 0.63 N ATOM 748 CA ILE A 68 -1.440 -14.855 -1.314 1.00 0.59 C ATOM 749 C ILE A 68 -2.748 -14.276 -1.838 1.00 0.63 C ATOM 750 O ILE A 68 -3.815 -14.527 -1.282 1.00 0.71 O ATOM 751 CB ILE A 68 -0.593 -13.712 -0.710 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.728 -14.257 -0.160 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.370 -12.993 0.387 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.636 -13.192 0.416 1.00 0.45 C ATOM 0 H ILE A 68 0.187 -15.163 -2.602 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.642 -15.588 -0.533 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.369 -12.995 -1.500 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.512 -14.994 0.613 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.256 -14.778 -0.959 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.758 -12.191 0.801 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.285 -12.572 -0.031 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.624 -13.700 1.177 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.551 -13.655 0.785 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.883 -12.467 -0.359 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.128 -12.686 1.237 1.00 0.45 H new ATOM 761 N LEU A 69 -2.654 -13.523 -2.928 1.00 0.62 N ATOM 762 CA LEU A 69 -3.818 -12.870 -3.519 1.00 0.67 C ATOM 763 C LEU A 69 -4.826 -13.891 -4.025 1.00 0.85 C ATOM 764 O LEU A 69 -6.031 -13.664 -3.961 1.00 1.14 O ATOM 765 CB LEU A 69 -3.381 -11.947 -4.658 1.00 0.62 C ATOM 766 CG LEU A 69 -2.477 -10.788 -4.234 1.00 0.47 C ATOM 767 CD1 LEU A 69 -1.975 -10.027 -5.449 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.220 -9.852 -3.293 1.00 0.45 C ATOM 0 H LEU A 69 -1.779 -13.349 -3.423 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.303 -12.276 -2.744 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -2.859 -12.541 -5.408 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.271 -11.539 -5.138 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.616 -11.200 -3.707 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.334 -9.207 -5.125 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.407 -10.700 -6.091 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.824 -9.627 -6.004 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.563 -9.033 -3.001 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.098 -9.450 -3.798 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.532 -10.401 -2.405 1.00 0.45 H new ATOM 780 N GLY A 70 -4.326 -15.019 -4.517 1.00 0.81 N ATOM 781 CA GLY A 70 -5.197 -16.065 -5.018 1.00 0.94 C ATOM 782 C GLY A 70 -6.032 -16.694 -3.920 1.00 0.99 C ATOM 783 O GLY A 70 -7.179 -17.083 -4.146 1.00 1.25 O ATOM 0 H GLY A 70 -3.329 -15.228 -4.578 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -5.856 -15.651 -5.781 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -4.596 -16.835 -5.500 1.00 0.94 H new ATOM 787 N LYS A 71 -5.457 -16.797 -2.730 1.00 0.87 N ATOM 788 CA LYS A 71 -6.168 -17.353 -1.585 1.00 0.98 C ATOM 789 C LYS A 71 -7.033 -16.287 -0.928 1.00 0.99 C ATOM 790 O LYS A 71 -8.208 -16.518 -0.637 1.00 1.26 O ATOM 791 CB LYS A 71 -5.181 -17.922 -0.565 1.00 1.11 C ATOM 792 CG LYS A 71 -4.324 -19.055 -1.106 1.00 1.69 C ATOM 793 CD LYS A 71 -3.369 -19.591 -0.049 1.00 2.11 C ATOM 794 CE LYS A 71 -2.383 -18.528 0.414 1.00 2.60 C ATOM 795 NZ LYS A 71 -1.454 -19.050 1.449 1.00 3.16 N ATOM 0 H LYS A 71 -4.501 -16.503 -2.531 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.810 -18.159 -1.941 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.529 -17.120 -0.218 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.736 -18.281 0.302 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -4.967 -19.862 -1.458 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -3.755 -18.702 -1.966 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -3.940 -19.954 0.806 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -2.822 -20.443 -0.452 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -1.810 -18.167 -0.440 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -2.930 -17.674 0.814 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -0.798 -18.297 1.739 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -1.999 -19.371 2.275 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -0.913 -19.848 1.059 1.00 3.16 H new ATOM 809 N SER A 72 -6.446 -15.114 -0.719 1.00 0.92 N ATOM 810 CA SER A 72 -7.134 -13.999 -0.086 1.00 1.08 C ATOM 811 C SER A 72 -8.313 -13.532 -0.937 1.00 1.04 C ATOM 812 O SER A 72 -8.443 -13.894 -2.107 1.00 1.21 O ATOM 813 CB SER A 72 -6.152 -12.845 0.139 1.00 1.30 C ATOM 814 OG SER A 72 -6.795 -11.728 0.730 1.00 2.02 O ATOM 0 H SER A 72 -5.482 -14.911 -0.984 1.00 0.92 H new ATOM 0 HA SER A 72 -7.523 -14.332 0.876 1.00 1.08 H new ATOM 0 HB2 SER A 72 -5.336 -13.179 0.780 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.709 -12.551 -0.813 1.00 1.30 H new ATOM 0 HG SER A 72 -6.811 -11.837 1.704 1.00 2.02 H new ATOM 820 N GLU A 73 -9.163 -12.707 -0.346 1.00 1.13 N ATOM 821 CA GLU A 73 -10.382 -12.256 -1.001 1.00 1.31 C ATOM 822 C GLU A 73 -10.117 -11.027 -1.859 1.00 1.26 C ATOM 823 O GLU A 73 -11.047 -10.358 -2.303 1.00 1.87 O ATOM 824 CB GLU A 73 -11.453 -11.935 0.045 1.00 1.67 C ATOM 825 CG GLU A 73 -11.852 -13.130 0.892 1.00 1.87 C ATOM 826 CD GLU A 73 -12.566 -14.198 0.091 1.00 2.12 C ATOM 827 OE1 GLU A 73 -11.893 -14.962 -0.633 1.00 2.46 O ATOM 828 OE2 GLU A 73 -13.802 -14.289 0.196 1.00 2.64 O ATOM 0 H GLU A 73 -9.030 -12.333 0.594 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.736 -13.059 -1.648 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.085 -11.144 0.698 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.337 -11.546 -0.460 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.961 -13.559 1.351 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -12.499 -12.796 1.703 1.00 1.87 H new ATOM 835 N PHE A 74 -8.848 -10.731 -2.082 1.00 1.04 N ATOM 836 CA PHE A 74 -8.469 -9.607 -2.923 1.00 1.02 C ATOM 837 C PHE A 74 -8.163 -10.080 -4.337 1.00 1.08 C ATOM 838 O PHE A 74 -7.742 -9.304 -5.193 1.00 1.45 O ATOM 839 CB PHE A 74 -7.276 -8.868 -2.323 1.00 0.94 C ATOM 840 CG PHE A 74 -7.590 -8.233 -0.998 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.546 -7.233 -0.909 1.00 1.61 C ATOM 842 CD2 PHE A 74 -6.933 -8.630 0.155 1.00 1.18 C ATOM 843 CE1 PHE A 74 -8.842 -6.643 0.303 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.226 -8.043 1.371 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.182 -7.049 1.444 1.00 1.19 C ATOM 0 H PHE A 74 -8.063 -11.253 -1.693 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.307 -8.911 -2.972 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.448 -9.565 -2.199 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -6.943 -8.098 -3.020 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.066 -6.912 -1.799 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.184 -9.406 0.103 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.589 -5.865 0.358 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.708 -8.361 2.264 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.413 -6.590 2.394 1.00 1.19 H new ATOM 855 N LYS A 75 -8.378 -11.368 -4.568 1.00 1.12 N ATOM 856 CA LYS A 75 -8.274 -11.940 -5.901 1.00 1.23 C ATOM 857 C LYS A 75 -9.298 -11.300 -6.834 1.00 1.54 C ATOM 858 O LYS A 75 -10.501 -11.320 -6.560 1.00 2.04 O ATOM 859 CB LYS A 75 -8.475 -13.458 -5.846 1.00 1.43 C ATOM 860 CG LYS A 75 -9.666 -13.892 -5.001 1.00 1.47 C ATOM 861 CD LYS A 75 -9.806 -15.403 -4.972 1.00 1.66 C ATOM 862 CE LYS A 75 -10.849 -15.846 -3.964 1.00 2.28 C ATOM 863 NZ LYS A 75 -10.329 -15.792 -2.572 1.00 2.85 N ATOM 0 H LYS A 75 -8.627 -12.040 -3.842 1.00 1.12 H new ATOM 0 HA LYS A 75 -7.276 -11.737 -6.290 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -8.605 -13.835 -6.861 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -7.572 -13.920 -5.448 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -9.548 -13.517 -3.984 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -10.578 -13.449 -5.401 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -10.081 -15.763 -5.963 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -8.845 -15.854 -4.724 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -11.729 -15.209 -4.048 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -11.168 -16.863 -4.194 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -10.987 -15.249 -1.977 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -10.240 -16.758 -2.197 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -9.397 -15.331 -2.567 1.00 2.85 H new ATOM 877 N GLY A 76 -8.812 -10.712 -7.917 1.00 1.89 N ATOM 878 CA GLY A 76 -9.689 -10.037 -8.854 1.00 2.41 C ATOM 879 C GLY A 76 -9.850 -8.568 -8.522 1.00 1.95 C ATOM 880 O GLY A 76 -10.550 -7.834 -9.219 1.00 2.42 O ATOM 0 H GLY A 76 -7.823 -10.690 -8.165 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -9.289 -10.139 -9.863 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -10.666 -10.519 -8.848 1.00 2.41 H new ATOM 884 N GLN A 77 -9.199 -8.139 -7.450 1.00 1.50 N ATOM 885 CA GLN A 77 -9.265 -6.756 -7.009 1.00 1.32 C ATOM 886 C GLN A 77 -7.883 -6.120 -7.051 1.00 1.10 C ATOM 887 O GLN A 77 -6.867 -6.809 -6.931 1.00 1.51 O ATOM 888 CB GLN A 77 -9.835 -6.681 -5.592 1.00 1.56 C ATOM 889 CG GLN A 77 -11.283 -7.135 -5.497 1.00 2.02 C ATOM 890 CD GLN A 77 -12.241 -6.166 -6.165 1.00 2.54 C ATOM 891 OE1 GLN A 77 -12.005 -4.960 -6.190 1.00 2.88 O ATOM 892 NE2 GLN A 77 -13.317 -6.688 -6.729 1.00 3.28 N ATOM 0 H GLN A 77 -8.614 -8.737 -6.866 1.00 1.50 H new ATOM 0 HA GLN A 77 -9.922 -6.207 -7.683 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -9.225 -7.296 -4.930 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -9.760 -5.655 -5.232 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -11.384 -8.117 -5.959 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -11.557 -7.247 -4.448 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -13.478 -7.694 -6.687 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -13.986 -6.084 -7.206 1.00 3.28 H new ATOM 901 N HIS A 78 -7.843 -4.813 -7.247 1.00 0.88 N ATOM 902 CA HIS A 78 -6.587 -4.083 -7.269 1.00 0.85 C ATOM 903 C HIS A 78 -6.582 -3.011 -6.190 1.00 0.69 C ATOM 904 O HIS A 78 -7.630 -2.441 -5.892 1.00 0.68 O ATOM 905 CB HIS A 78 -6.346 -3.435 -8.634 1.00 1.02 C ATOM 906 CG HIS A 78 -6.225 -4.404 -9.769 1.00 1.16 C ATOM 907 ND1 HIS A 78 -6.878 -4.233 -10.969 1.00 1.50 N ATOM 908 CD2 HIS A 78 -5.504 -5.542 -9.894 1.00 1.41 C ATOM 909 CE1 HIS A 78 -6.566 -5.222 -11.782 1.00 1.96 C ATOM 910 NE2 HIS A 78 -5.732 -6.031 -11.155 1.00 1.85 N ATOM 0 H HIS A 78 -8.670 -4.234 -7.394 1.00 0.88 H new ATOM 0 HA HIS A 78 -5.785 -4.796 -7.078 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -7.165 -2.748 -8.845 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -5.435 -2.839 -8.583 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -4.868 -5.983 -9.141 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -6.931 -5.349 -12.791 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -5.324 -6.881 -11.545 1.00 1.85 H new ATOM 919 N LEU A 79 -5.416 -2.737 -5.615 1.00 0.60 N ATOM 920 CA LEU A 79 -5.314 -1.801 -4.496 1.00 0.46 C ATOM 921 C LEU A 79 -5.935 -0.448 -4.840 1.00 0.44 C ATOM 922 O LEU A 79 -6.838 0.025 -4.148 1.00 0.42 O ATOM 923 CB LEU A 79 -3.849 -1.609 -4.095 1.00 0.44 C ATOM 924 CG LEU A 79 -3.628 -0.759 -2.842 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.174 -1.467 -1.614 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.154 -0.444 -2.664 1.00 0.41 C ATOM 0 H LEU A 79 -4.528 -3.148 -5.903 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.867 -2.227 -3.659 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.400 -2.589 -3.935 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.318 -1.148 -4.927 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.167 0.180 -2.965 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.008 -0.847 -0.733 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.243 -1.641 -1.739 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.664 -2.422 -1.488 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.017 0.161 -1.768 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.593 -1.373 -2.564 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.792 0.107 -3.532 1.00 0.41 H new ATOM 938 N ALA A 80 -5.462 0.151 -5.927 1.00 0.50 N ATOM 939 CA ALA A 80 -5.902 1.482 -6.333 1.00 0.54 C ATOM 940 C ALA A 80 -7.410 1.534 -6.554 1.00 0.58 C ATOM 941 O ALA A 80 -8.079 2.469 -6.112 1.00 0.61 O ATOM 942 CB ALA A 80 -5.172 1.905 -7.592 1.00 0.63 C ATOM 0 H ALA A 80 -4.769 -0.267 -6.547 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.664 2.175 -5.526 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.505 2.899 -7.889 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.099 1.924 -7.401 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.386 1.196 -8.392 1.00 0.63 H new ATOM 948 N ASP A 81 -7.936 0.521 -7.231 1.00 0.64 N ATOM 949 CA ASP A 81 -9.368 0.434 -7.496 1.00 0.70 C ATOM 950 C ASP A 81 -10.147 0.357 -6.188 1.00 0.60 C ATOM 951 O ASP A 81 -11.187 0.998 -6.029 1.00 0.67 O ATOM 952 CB ASP A 81 -9.676 -0.789 -8.360 1.00 0.78 C ATOM 953 CG ASP A 81 -11.139 -0.875 -8.741 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.516 -0.308 -9.787 1.00 2.06 O ATOM 955 OD2 ASP A 81 -11.919 -1.509 -8.002 1.00 2.30 O ATOM 0 H ASP A 81 -7.391 -0.254 -7.608 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.673 1.331 -8.034 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.070 -0.753 -9.265 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.390 -1.692 -7.821 1.00 0.78 H new ATOM 960 N ILE A 82 -9.618 -0.420 -5.253 1.00 0.50 N ATOM 961 CA ILE A 82 -10.199 -0.550 -3.923 1.00 0.45 C ATOM 962 C ILE A 82 -10.279 0.804 -3.222 1.00 0.48 C ATOM 963 O ILE A 82 -11.338 1.196 -2.727 1.00 0.61 O ATOM 964 CB ILE A 82 -9.374 -1.539 -3.066 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.677 -2.980 -3.485 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.636 -1.337 -1.582 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.856 -4.012 -2.743 1.00 0.61 C ATOM 0 H ILE A 82 -8.775 -0.977 -5.394 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.211 -0.937 -4.039 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.316 -1.341 -3.240 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.735 -3.183 -3.320 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.496 -3.084 -4.555 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.041 -2.047 -1.008 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.361 -0.321 -1.299 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.694 -1.498 -1.374 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.124 -5.009 -3.092 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.796 -3.836 -2.928 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.055 -3.936 -1.674 1.00 0.61 H new ATOM 974 N LEU A 83 -9.162 1.521 -3.202 1.00 0.44 N ATOM 975 CA LEU A 83 -9.100 2.830 -2.558 1.00 0.52 C ATOM 976 C LEU A 83 -10.053 3.814 -3.227 1.00 0.69 C ATOM 977 O LEU A 83 -10.696 4.621 -2.558 1.00 0.83 O ATOM 978 CB LEU A 83 -7.670 3.381 -2.589 1.00 0.47 C ATOM 979 CG LEU A 83 -6.753 2.926 -1.446 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.590 1.414 -1.428 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.398 3.601 -1.567 1.00 0.42 C ATOM 0 H LEU A 83 -8.284 1.218 -3.625 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.406 2.705 -1.519 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.210 3.093 -3.535 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.720 4.470 -2.578 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.218 3.219 -0.505 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -5.934 1.129 -0.605 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.565 0.945 -1.295 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.154 1.084 -2.371 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.754 3.272 -0.752 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.942 3.334 -2.520 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.524 4.682 -1.516 1.00 0.42 H new ATOM 993 N ASN A 84 -10.143 3.737 -4.547 1.00 0.74 N ATOM 994 CA ASN A 84 -11.034 4.606 -5.307 1.00 0.94 C ATOM 995 C ASN A 84 -12.492 4.310 -4.975 1.00 0.97 C ATOM 996 O ASN A 84 -13.309 5.223 -4.841 1.00 1.15 O ATOM 997 CB ASN A 84 -10.790 4.436 -6.809 1.00 1.04 C ATOM 998 CG ASN A 84 -11.704 5.306 -7.653 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.410 6.473 -7.900 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -12.804 4.742 -8.123 1.00 1.79 N ATOM 0 H ASN A 84 -9.609 3.080 -5.116 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.821 5.638 -5.030 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.752 4.681 -7.034 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.937 3.391 -7.081 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -13.441 5.279 -8.712 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -13.015 3.770 -7.897 1.00 1.79 H new ATOM 1007 N SER A 85 -12.807 3.029 -4.830 1.00 0.87 N ATOM 1008 CA SER A 85 -14.162 2.602 -4.526 1.00 0.93 C ATOM 1009 C SER A 85 -14.541 2.980 -3.096 1.00 0.91 C ATOM 1010 O SER A 85 -15.669 3.396 -2.829 1.00 1.01 O ATOM 1011 CB SER A 85 -14.289 1.087 -4.723 1.00 0.98 C ATOM 1012 OG SER A 85 -15.639 0.666 -4.620 1.00 1.50 O ATOM 0 H SER A 85 -12.136 2.266 -4.919 1.00 0.87 H new ATOM 0 HA SER A 85 -14.846 3.110 -5.206 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.893 0.811 -5.700 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.686 0.569 -3.977 1.00 0.98 H new ATOM 0 HG SER A 85 -15.690 -0.304 -4.751 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.588 2.859 -2.185 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.842 3.113 -0.773 1.00 0.95 C ATOM 1020 C ALA A 86 -13.512 4.554 -0.394 1.00 1.14 C ATOM 1021 O ALA A 86 -13.073 4.828 0.725 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.042 2.142 0.078 1.00 1.09 C ATOM 0 H ALA A 86 -12.629 2.586 -2.398 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.905 2.962 -0.587 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.236 2.337 1.133 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -13.336 1.120 -0.162 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.979 2.271 -0.125 1.00 1.09 H new ATOM 1028 N SER A 87 -13.731 5.470 -1.322 1.00 1.41 N ATOM 1029 CA SER A 87 -13.512 6.883 -1.061 1.00 1.70 C ATOM 1030 C SER A 87 -14.664 7.452 -0.235 1.00 1.53 C ATOM 1031 O SER A 87 -15.834 7.170 -0.502 1.00 1.80 O ATOM 1032 CB SER A 87 -13.356 7.637 -2.383 1.00 2.36 C ATOM 1033 OG SER A 87 -14.343 7.237 -3.322 1.00 3.09 O ATOM 0 H SER A 87 -14.061 5.260 -2.264 1.00 1.41 H new ATOM 0 HA SER A 87 -12.594 7.005 -0.486 1.00 1.70 H new ATOM 0 HB2 SER A 87 -13.434 8.709 -2.204 1.00 2.36 H new ATOM 0 HB3 SER A 87 -12.363 7.454 -2.794 1.00 2.36 H new ATOM 0 HG SER A 87 -13.964 6.570 -3.931 1.00 3.09 H new ATOM 1039 N ARG A 88 -14.332 8.231 0.787 1.00 1.60 N ATOM 1040 CA ARG A 88 -15.342 8.790 1.678 1.00 1.65 C ATOM 1041 C ARG A 88 -15.784 10.168 1.199 1.00 1.89 C ATOM 1042 O ARG A 88 -15.121 10.790 0.366 1.00 2.38 O ATOM 1043 CB ARG A 88 -14.803 8.903 3.108 1.00 2.05 C ATOM 1044 CG ARG A 88 -13.669 9.907 3.252 1.00 2.61 C ATOM 1045 CD ARG A 88 -13.331 10.181 4.708 1.00 3.30 C ATOM 1046 NE ARG A 88 -14.450 10.786 5.425 1.00 4.00 N ATOM 1047 CZ ARG A 88 -14.324 11.744 6.344 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -13.125 12.200 6.684 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -15.405 12.233 6.935 1.00 5.55 N ATOM 0 H ARG A 88 -13.373 8.490 1.020 1.00 1.60 H new ATOM 0 HA ARG A 88 -16.198 8.115 1.669 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -15.618 9.189 3.773 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -14.454 7.923 3.435 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -12.784 9.530 2.739 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -13.947 10.840 2.763 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -13.049 9.248 5.196 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -12.466 10.842 4.761 1.00 3.30 H new ATOM 0 HE ARG A 88 -15.390 10.454 5.209 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -12.290 11.817 6.241 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -13.039 12.933 7.388 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -16.328 11.876 6.686 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -15.314 12.966 7.639 1.00 5.55 H new ATOM 1063 N VAL A 89 -16.901 10.638 1.733 1.00 1.99 N ATOM 1064 CA VAL A 89 -17.388 11.978 1.443 1.00 2.41 C ATOM 1065 C VAL A 89 -17.399 12.811 2.723 1.00 2.25 C ATOM 1066 O VAL A 89 -18.351 12.750 3.505 1.00 2.30 O ATOM 1067 CB VAL A 89 -18.805 11.958 0.830 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -19.244 13.363 0.448 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -18.858 11.036 -0.378 1.00 3.55 C ATOM 0 H VAL A 89 -17.491 10.107 2.374 1.00 1.99 H new ATOM 0 HA VAL A 89 -16.713 12.422 0.711 1.00 2.41 H new ATOM 0 HB VAL A 89 -19.494 11.575 1.582 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -20.245 13.327 0.018 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -19.253 13.995 1.336 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -18.549 13.775 -0.284 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -19.866 11.038 -0.793 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -18.154 11.385 -1.133 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -18.592 10.023 -0.075 1.00 3.55 H new ATOM 1073 N PRO A 90 -16.324 13.575 2.964 1.00 2.60 N ATOM 1074 CA PRO A 90 -16.183 14.405 4.163 1.00 2.83 C ATOM 1075 C PRO A 90 -17.148 15.586 4.169 1.00 2.80 C ATOM 1076 O PRO A 90 -17.194 16.372 3.218 1.00 3.31 O ATOM 1077 CB PRO A 90 -14.731 14.904 4.104 1.00 3.67 C ATOM 1078 CG PRO A 90 -14.070 14.095 3.039 1.00 3.95 C ATOM 1079 CD PRO A 90 -15.156 13.695 2.086 1.00 3.27 C ATOM 0 HA PRO A 90 -16.412 13.841 5.067 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -14.692 15.968 3.869 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -14.232 14.771 5.064 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -13.300 14.675 2.531 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -13.581 13.218 3.463 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -15.309 14.443 1.308 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -14.928 12.755 1.583 1.00 3.27 H new ATOM 1087 N GLU A 91 -17.915 15.709 5.241 1.00 2.59 N ATOM 1088 CA GLU A 91 -18.872 16.798 5.378 1.00 2.75 C ATOM 1089 C GLU A 91 -18.344 17.849 6.344 1.00 2.55 C ATOM 1090 O GLU A 91 -19.101 18.625 6.927 1.00 2.93 O ATOM 1091 CB GLU A 91 -20.226 16.260 5.850 1.00 3.30 C ATOM 1092 CG GLU A 91 -20.167 15.545 7.190 1.00 3.94 C ATOM 1093 CD GLU A 91 -21.476 14.885 7.555 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -22.395 15.591 8.018 1.00 5.08 O ATOM 1095 OE2 GLU A 91 -21.591 13.653 7.386 1.00 5.02 O ATOM 0 H GLU A 91 -17.894 15.066 6.032 1.00 2.59 H new ATOM 0 HA GLU A 91 -19.010 17.267 4.404 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -20.931 17.088 5.921 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -20.616 15.573 5.099 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -19.380 14.791 7.161 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -19.896 16.259 7.967 1.00 3.94 H new ATOM 1102 N SER A 92 -17.033 17.869 6.496 1.00 2.55 N ATOM 1103 CA SER A 92 -16.382 18.810 7.383 1.00 2.76 C ATOM 1104 C SER A 92 -15.535 19.778 6.566 1.00 2.95 C ATOM 1105 O SER A 92 -15.962 20.939 6.391 1.00 3.07 O ATOM 1106 CB SER A 92 -15.524 18.068 8.414 1.00 3.61 C ATOM 1107 OG SER A 92 -15.083 18.940 9.443 1.00 4.12 O ATOM 1108 OXT SER A 92 -14.462 19.368 6.072 1.00 3.54 O ATOM 0 H SER A 92 -16.395 17.238 6.011 1.00 2.55 H new ATOM 0 HA SER A 92 -17.139 19.377 7.924 1.00 2.76 H new ATOM 0 HB2 SER A 92 -16.100 17.251 8.849 1.00 3.61 H new ATOM 0 HB3 SER A 92 -14.662 17.622 7.919 1.00 3.61 H new ATOM 0 HG SER A 92 -14.540 18.438 10.086 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -7.709 13.309 -5.746 1.00 4.46 N ATOM 1116 CA MET B 14 -8.990 13.697 -5.109 1.00 3.81 C ATOM 1117 C MET B 14 -10.109 12.753 -5.531 1.00 2.82 C ATOM 1118 O MET B 14 -10.479 12.715 -6.703 1.00 2.99 O ATOM 1119 CB MET B 14 -9.358 15.136 -5.476 1.00 4.49 C ATOM 1120 CG MET B 14 -8.418 16.174 -4.889 1.00 5.01 C ATOM 1121 SD MET B 14 -8.325 16.080 -3.090 1.00 5.79 S ATOM 1122 CE MET B 14 -10.012 16.477 -2.633 1.00 6.44 C ATOM 0 HA MET B 14 -8.864 13.629 -4.028 1.00 3.81 H new ATOM 0 HB2 MET B 14 -9.363 15.235 -6.561 1.00 4.49 H new ATOM 0 HB3 MET B 14 -10.372 15.341 -5.133 1.00 4.49 H new ATOM 0 HG2 MET B 14 -7.422 16.037 -5.309 1.00 5.01 H new ATOM 0 HG3 MET B 14 -8.753 17.169 -5.181 1.00 5.01 H new ATOM 0 HE1 MET B 14 -10.060 16.685 -1.564 1.00 6.44 H new ATOM 0 HE2 MET B 14 -10.343 17.355 -3.189 1.00 6.44 H new ATOM 0 HE3 MET B 14 -10.661 15.633 -2.868 1.00 6.44 H new ATOM 1134 N MET B 15 -10.636 12.001 -4.557 1.00 2.12 N ATOM 1135 CA MET B 15 -11.693 11.002 -4.775 1.00 1.95 C ATOM 1136 C MET B 15 -11.171 9.821 -5.581 1.00 1.69 C ATOM 1137 O MET B 15 -11.161 8.686 -5.104 1.00 2.48 O ATOM 1138 CB MET B 15 -12.914 11.614 -5.464 1.00 2.52 C ATOM 1139 CG MET B 15 -13.684 12.591 -4.591 1.00 3.06 C ATOM 1140 SD MET B 15 -15.229 13.139 -5.347 1.00 3.93 S ATOM 1141 CE MET B 15 -14.633 13.879 -6.865 1.00 4.73 C ATOM 0 H MET B 15 -10.338 12.069 -3.584 1.00 2.12 H new ATOM 0 HA MET B 15 -12.004 10.644 -3.794 1.00 1.95 H new ATOM 0 HB2 MET B 15 -12.590 12.127 -6.369 1.00 2.52 H new ATOM 0 HB3 MET B 15 -13.584 10.813 -5.775 1.00 2.52 H new ATOM 0 HG2 MET B 15 -13.901 12.121 -3.632 1.00 3.06 H new ATOM 0 HG3 MET B 15 -13.058 13.459 -4.386 1.00 3.06 H new ATOM 0 HE1 MET B 15 -15.421 14.489 -7.306 1.00 4.73 H new ATOM 0 HE2 MET B 15 -13.767 14.505 -6.649 1.00 4.73 H new ATOM 0 HE3 MET B 15 -14.348 13.094 -7.565 1.00 4.73 H new ATOM 1151 N SER B 16 -10.738 10.096 -6.794 1.00 1.19 N ATOM 1152 CA SER B 16 -10.137 9.091 -7.637 1.00 1.17 C ATOM 1153 C SER B 16 -8.713 8.845 -7.177 1.00 1.05 C ATOM 1154 O SER B 16 -7.826 9.655 -7.442 1.00 1.91 O ATOM 1155 CB SER B 16 -10.159 9.541 -9.095 1.00 1.62 C ATOM 1156 OG SER B 16 -11.477 9.895 -9.487 1.00 2.01 O ATOM 0 H SER B 16 -10.794 11.021 -7.220 1.00 1.19 H new ATOM 0 HA SER B 16 -10.705 8.164 -7.561 1.00 1.17 H new ATOM 0 HB2 SER B 16 -9.492 10.393 -9.229 1.00 1.62 H new ATOM 0 HB3 SER B 16 -9.786 8.741 -9.734 1.00 1.62 H new ATOM 0 HG SER B 16 -11.473 10.183 -10.424 1.00 2.01 H new ATOM 1162 N ALA B 17 -8.528 7.745 -6.460 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.241 7.388 -5.869 1.00 0.81 C ATOM 1164 C ALA B 17 -6.104 7.475 -6.879 1.00 0.69 C ATOM 1165 O ALA B 17 -5.899 6.564 -7.682 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.311 5.986 -5.285 1.00 1.09 C ATOM 0 H ALA B 17 -9.269 7.070 -6.270 1.00 0.94 H new ATOM 0 HA ALA B 17 -7.031 8.107 -5.077 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.348 5.726 -4.846 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.082 5.951 -4.515 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.553 5.275 -6.075 1.00 1.09 H new ATOM 1172 N SER B 18 -5.381 8.584 -6.845 1.00 0.64 N ATOM 1173 CA SER B 18 -4.239 8.776 -7.716 1.00 0.61 C ATOM 1174 C SER B 18 -3.004 8.144 -7.088 1.00 0.50 C ATOM 1175 O SER B 18 -3.016 7.816 -5.900 1.00 0.45 O ATOM 1176 CB SER B 18 -4.009 10.266 -7.956 1.00 0.67 C ATOM 1177 OG SER B 18 -5.225 10.916 -8.285 1.00 1.33 O ATOM 0 H SER B 18 -5.569 9.367 -6.219 1.00 0.64 H new ATOM 0 HA SER B 18 -4.433 8.296 -8.675 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.578 10.720 -7.064 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.289 10.402 -8.763 1.00 0.67 H new ATOM 0 HG SER B 18 -5.736 11.089 -7.466 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.944 7.983 -7.873 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.727 7.324 -7.402 1.00 0.43 C ATOM 1185 C LYS B 19 -0.237 7.919 -6.081 1.00 0.35 C ATOM 1186 O LYS B 19 0.015 7.190 -5.119 1.00 0.28 O ATOM 1187 CB LYS B 19 0.380 7.425 -8.452 1.00 0.54 C ATOM 1188 CG LYS B 19 0.036 6.766 -9.776 1.00 0.85 C ATOM 1189 CD LYS B 19 1.233 6.743 -10.714 1.00 1.13 C ATOM 1190 CE LYS B 19 1.703 8.147 -11.067 1.00 1.74 C ATOM 1191 NZ LYS B 19 2.881 8.121 -11.972 1.00 2.10 N ATOM 0 H LYS B 19 -1.901 8.300 -8.841 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.972 6.275 -7.234 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.604 8.477 -8.629 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.286 6.968 -8.055 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.308 5.747 -9.598 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.787 7.303 -10.248 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.050 6.193 -10.247 1.00 1.13 H new ATOM 0 HD3 LYS B 19 0.969 6.208 -11.626 1.00 1.13 H new ATOM 0 HE2 LYS B 19 0.890 8.694 -11.544 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.957 8.686 -10.154 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 2.890 8.982 -12.555 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 3.752 8.076 -11.406 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 2.826 7.286 -12.590 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.127 9.243 -6.039 1.00 0.41 N ATOM 1206 CA GLU B 20 0.379 9.939 -4.858 1.00 0.42 C ATOM 1207 C GLU B 20 -0.524 9.716 -3.642 1.00 0.34 C ATOM 1208 O GLU B 20 -0.040 9.582 -2.520 1.00 0.30 O ATOM 1209 CB GLU B 20 0.529 11.438 -5.148 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.748 12.105 -5.641 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.538 13.555 -6.024 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.131 13.817 -7.175 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -0.775 14.441 -5.181 1.00 1.49 O ATOM 0 H GLU B 20 -0.382 9.858 -6.811 1.00 0.41 H new ATOM 0 HA GLU B 20 1.359 9.524 -4.621 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.862 11.941 -4.241 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.311 11.577 -5.895 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.130 11.557 -6.502 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.508 12.045 -4.862 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.829 9.650 -3.878 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.799 9.452 -2.807 1.00 0.39 C ATOM 1222 C GLU B 21 -2.696 8.038 -2.246 1.00 0.32 C ATOM 1223 O GLU B 21 -2.767 7.824 -1.035 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.214 9.696 -3.329 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.445 11.109 -3.839 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.831 11.302 -4.420 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.015 11.043 -5.625 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.746 11.723 -3.680 1.00 1.49 O ATOM 0 H GLU B 21 -2.242 9.731 -4.807 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.581 10.163 -2.010 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.421 8.991 -4.134 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.927 9.487 -2.531 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.297 11.815 -3.022 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.701 11.342 -4.600 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.523 7.080 -3.145 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.392 5.680 -2.770 1.00 0.29 C ATOM 1237 C ILE B 22 -1.120 5.455 -1.966 1.00 0.24 C ATOM 1238 O ILE B 22 -1.153 4.875 -0.879 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.374 4.782 -4.021 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.665 4.978 -4.813 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.195 3.319 -3.632 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.590 4.465 -6.229 1.00 0.44 C ATOM 0 H ILE B 22 -2.470 7.250 -4.149 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.253 5.418 -2.155 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.529 5.066 -4.648 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.479 4.472 -4.295 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.911 6.040 -4.833 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.185 2.702 -4.531 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.253 3.197 -3.098 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.019 3.010 -2.989 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.543 4.638 -6.730 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.798 4.989 -6.764 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.375 3.396 -6.218 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.003 5.937 -2.501 1.00 0.20 N ATOM 1250 CA ALA B 23 1.289 5.795 -1.843 1.00 0.19 C ATOM 1251 C ALA B 23 1.275 6.455 -0.472 1.00 0.20 C ATOM 1252 O ALA B 23 1.936 5.990 0.458 1.00 0.20 O ATOM 1253 CB ALA B 23 2.388 6.389 -2.705 1.00 0.20 C ATOM 0 H ALA B 23 0.032 6.431 -3.392 1.00 0.20 H new ATOM 0 HA ALA B 23 1.487 4.732 -1.706 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.348 6.276 -2.200 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.419 5.871 -3.664 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.188 7.448 -2.871 1.00 0.20 H new ATOM 1259 N ALA B 24 0.506 7.532 -0.357 1.00 0.22 N ATOM 1260 CA ALA B 24 0.342 8.232 0.906 1.00 0.25 C ATOM 1261 C ALA B 24 -0.223 7.297 1.971 1.00 0.23 C ATOM 1262 O ALA B 24 0.284 7.235 3.088 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.562 9.441 0.719 1.00 0.31 C ATOM 0 H ALA B 24 -0.017 7.940 -1.132 1.00 0.22 H new ATOM 0 HA ALA B 24 1.320 8.576 1.243 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.679 9.959 1.671 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.118 10.118 -0.010 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.538 9.113 0.362 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.264 6.553 1.617 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.854 5.591 2.538 1.00 0.23 C ATOM 1271 C LEU B 25 -0.918 4.416 2.773 1.00 0.22 C ATOM 1272 O LEU B 25 -0.856 3.873 3.876 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.195 5.081 2.015 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.367 6.051 2.145 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.625 5.424 1.572 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.584 6.438 3.602 1.00 0.43 C ATOM 0 H LEU B 25 -1.715 6.597 0.703 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.018 6.106 3.484 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.078 4.819 0.963 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.446 4.163 2.546 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.135 6.955 1.583 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.456 6.122 1.669 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.468 5.190 0.519 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.855 4.508 2.116 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.423 7.130 3.674 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.799 5.544 4.188 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.685 6.917 3.989 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.190 4.032 1.734 1.00 0.20 N ATOM 1289 CA ILE B 26 0.752 2.925 1.822 1.00 0.21 C ATOM 1290 C ILE B 26 1.834 3.206 2.864 1.00 0.20 C ATOM 1291 O ILE B 26 2.042 2.411 3.785 1.00 0.22 O ATOM 1292 CB ILE B 26 1.404 2.631 0.454 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.341 2.158 -0.546 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.506 1.591 0.598 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.880 1.891 -1.935 1.00 0.27 C ATOM 0 H ILE B 26 -0.234 4.473 0.816 1.00 0.20 H new ATOM 0 HA ILE B 26 0.188 2.045 2.131 1.00 0.21 H new ATOM 0 HB ILE B 26 1.853 3.550 0.077 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.122 1.247 -0.165 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.444 2.912 -0.610 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.953 1.397 -0.377 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.270 1.963 1.280 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.085 0.667 0.994 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.068 1.561 -2.583 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.317 2.805 -2.338 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.644 1.115 -1.886 1.00 0.27 H new ATOM 1302 N VAL B 27 2.505 4.347 2.735 1.00 0.18 N ATOM 1303 CA VAL B 27 3.555 4.713 3.678 1.00 0.20 C ATOM 1304 C VAL B 27 2.963 5.001 5.057 1.00 0.22 C ATOM 1305 O VAL B 27 3.595 4.740 6.082 1.00 0.23 O ATOM 1306 CB VAL B 27 4.388 5.926 3.196 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.078 5.612 1.879 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.529 7.174 3.062 1.00 0.21 C ATOM 0 H VAL B 27 2.342 5.028 1.993 1.00 0.18 H new ATOM 0 HA VAL B 27 4.230 3.859 3.744 1.00 0.20 H new ATOM 0 HB VAL B 27 5.149 6.125 3.951 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.658 6.477 1.557 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.742 4.758 2.011 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.329 5.376 1.123 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.146 8.006 2.722 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.734 6.993 2.339 1.00 0.21 H new ATOM 0 HG23 VAL B 27 3.090 7.419 4.029 1.00 0.21 H new ATOM 1312 N ASN B 28 1.735 5.516 5.075 1.00 0.25 N ATOM 1313 CA ASN B 28 1.035 5.796 6.324 1.00 0.32 C ATOM 1314 C ASN B 28 0.732 4.498 7.065 1.00 0.27 C ATOM 1315 O ASN B 28 0.879 4.417 8.283 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.267 6.550 6.047 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.002 6.948 7.312 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -0.391 7.224 8.345 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.322 6.981 7.240 1.00 0.86 N ATOM 0 H ASN B 28 1.204 5.748 4.235 1.00 0.25 H new ATOM 0 HA ASN B 28 1.679 6.417 6.947 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.045 7.445 5.465 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.919 5.926 5.436 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.871 7.242 8.059 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.791 6.745 6.365 1.00 0.86 H new ATOM 1326 N TYR B 29 0.323 3.481 6.315 1.00 0.25 N ATOM 1327 CA TYR B 29 0.036 2.172 6.885 1.00 0.24 C ATOM 1328 C TYR B 29 1.279 1.591 7.547 1.00 0.18 C ATOM 1329 O TYR B 29 1.227 1.127 8.684 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.482 1.217 5.803 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.628 -0.211 6.276 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.531 -0.542 7.278 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.143 -1.226 5.725 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.659 -1.844 7.720 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.018 -2.532 6.160 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.882 -2.835 7.157 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.003 -4.131 7.595 1.00 0.49 O ATOM 0 H TYR B 29 0.183 3.540 5.306 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.737 2.293 7.644 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.449 1.574 5.448 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.199 1.241 4.952 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.143 0.231 7.719 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.851 -0.991 4.944 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.364 -2.085 8.502 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.623 -3.311 5.720 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.678 -4.175 8.304 1.00 0.49 H new ATOM 1347 N PHE B 30 2.397 1.634 6.833 1.00 0.16 N ATOM 1348 CA PHE B 30 3.658 1.145 7.372 1.00 0.16 C ATOM 1349 C PHE B 30 4.054 1.942 8.610 1.00 0.18 C ATOM 1350 O PHE B 30 4.554 1.382 9.588 1.00 0.21 O ATOM 1351 CB PHE B 30 4.766 1.227 6.322 1.00 0.19 C ATOM 1352 CG PHE B 30 4.546 0.356 5.117 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.927 -0.880 5.230 1.00 1.17 C ATOM 1354 CD2 PHE B 30 4.977 0.771 3.868 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.744 -1.680 4.121 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.794 -0.027 2.756 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.176 -1.254 2.883 1.00 0.25 C ATOM 0 H PHE B 30 2.456 2.001 5.883 1.00 0.16 H new ATOM 0 HA PHE B 30 3.522 0.101 7.653 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.863 2.262 5.994 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.712 0.950 6.787 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.585 -1.220 6.196 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.462 1.730 3.762 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.262 -2.641 4.223 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.134 0.309 1.788 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.031 -1.879 2.015 1.00 0.25 H new ATOM 1367 N SER B 31 3.807 3.247 8.567 1.00 0.21 N ATOM 1368 CA SER B 31 4.091 4.118 9.698 1.00 0.26 C ATOM 1369 C SER B 31 3.228 3.736 10.899 1.00 0.25 C ATOM 1370 O SER B 31 3.676 3.803 12.038 1.00 0.27 O ATOM 1371 CB SER B 31 3.852 5.581 9.318 1.00 0.35 C ATOM 1372 OG SER B 31 4.667 5.965 8.222 1.00 1.15 O ATOM 0 H SER B 31 3.410 3.724 7.758 1.00 0.21 H new ATOM 0 HA SER B 31 5.139 3.995 9.971 1.00 0.26 H new ATOM 0 HB2 SER B 31 2.802 5.727 9.063 1.00 0.35 H new ATOM 0 HB3 SER B 31 4.064 6.221 10.174 1.00 0.35 H new ATOM 0 HG SER B 31 4.488 5.376 7.459 1.00 1.15 H new ATOM 1378 N SER B 32 1.996 3.320 10.634 1.00 0.27 N ATOM 1379 CA SER B 32 1.082 2.903 11.687 1.00 0.30 C ATOM 1380 C SER B 32 1.623 1.674 12.418 1.00 0.28 C ATOM 1381 O SER B 32 1.571 1.598 13.647 1.00 0.36 O ATOM 1382 CB SER B 32 -0.300 2.605 11.095 1.00 0.40 C ATOM 1383 OG SER B 32 -1.226 2.229 12.098 1.00 0.99 O ATOM 0 H SER B 32 1.606 3.263 9.693 1.00 0.27 H new ATOM 0 HA SER B 32 0.990 3.715 12.408 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.669 3.486 10.570 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.216 1.806 10.358 1.00 0.40 H new ATOM 0 HG SER B 32 -2.097 2.047 11.687 1.00 0.99 H new ATOM 1389 N ILE B 33 2.165 0.728 11.657 1.00 0.24 N ATOM 1390 CA ILE B 33 2.673 -0.514 12.227 1.00 0.27 C ATOM 1391 C ILE B 33 3.847 -0.247 13.168 1.00 0.26 C ATOM 1392 O ILE B 33 3.918 -0.808 14.265 1.00 0.32 O ATOM 1393 CB ILE B 33 3.127 -1.505 11.134 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.044 -1.674 10.067 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.458 -2.853 11.758 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.462 -2.574 8.924 1.00 0.34 C ATOM 0 H ILE B 33 2.263 0.798 10.644 1.00 0.24 H new ATOM 0 HA ILE B 33 1.849 -0.958 12.785 1.00 0.27 H new ATOM 0 HB ILE B 33 4.020 -1.102 10.656 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.147 -2.083 10.532 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.779 -0.694 9.670 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.777 -3.546 10.979 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.260 -2.730 12.486 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.574 -3.250 12.257 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.647 -2.650 8.204 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.341 -2.156 8.434 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.699 -3.566 9.310 1.00 0.34 H new ATOM 1403 N VAL B 34 4.762 0.618 12.741 1.00 0.25 N ATOM 1404 CA VAL B 34 5.936 0.939 13.545 1.00 0.31 C ATOM 1405 C VAL B 34 5.589 1.935 14.649 1.00 0.37 C ATOM 1406 O VAL B 34 6.292 2.032 15.653 1.00 0.47 O ATOM 1407 CB VAL B 34 7.094 1.502 12.684 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.529 0.487 11.640 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.701 2.812 12.019 1.00 0.33 C ATOM 0 H VAL B 34 4.714 1.107 11.847 1.00 0.25 H new ATOM 0 HA VAL B 34 6.270 0.005 13.996 1.00 0.31 H new ATOM 0 HB VAL B 34 7.935 1.701 13.348 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.343 0.902 11.046 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.869 -0.422 12.136 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.688 0.252 10.988 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.535 3.181 11.422 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.838 2.648 11.374 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.449 3.547 12.784 1.00 0.33 H new ATOM 1413 N GLU B 35 4.489 2.659 14.464 1.00 0.35 N ATOM 1414 CA GLU B 35 4.038 3.635 15.448 1.00 0.46 C ATOM 1415 C GLU B 35 3.540 2.931 16.702 1.00 0.51 C ATOM 1416 O GLU B 35 3.868 3.320 17.821 1.00 0.62 O ATOM 1417 CB GLU B 35 2.926 4.507 14.862 1.00 0.51 C ATOM 1418 CG GLU B 35 2.628 5.747 15.682 1.00 0.70 C ATOM 1419 CD GLU B 35 3.828 6.661 15.798 1.00 1.49 C ATOM 1420 OE1 GLU B 35 4.208 7.280 14.783 1.00 2.19 O ATOM 1421 OE2 GLU B 35 4.401 6.762 16.903 1.00 2.22 O ATOM 0 H GLU B 35 3.893 2.587 13.639 1.00 0.35 H new ATOM 0 HA GLU B 35 4.882 4.272 15.713 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.206 4.808 13.853 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.017 3.912 14.776 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.802 6.292 15.225 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.302 5.451 16.679 1.00 0.70 H new ATOM 1428 N LYS B 36 2.751 1.880 16.507 1.00 0.47 N ATOM 1429 CA LYS B 36 2.243 1.096 17.626 1.00 0.55 C ATOM 1430 C LYS B 36 3.236 0.001 18.013 1.00 0.51 C ATOM 1431 O LYS B 36 2.984 -0.802 18.914 1.00 0.61 O ATOM 1432 CB LYS B 36 0.875 0.491 17.289 1.00 0.67 C ATOM 1433 CG LYS B 36 0.874 -0.394 16.053 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.525 -0.897 15.731 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.536 -1.747 14.471 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.902 -2.227 14.134 1.00 2.08 N ATOM 0 H LYS B 36 2.451 1.553 15.589 1.00 0.47 H new ATOM 0 HA LYS B 36 2.120 1.763 18.480 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.529 -0.094 18.141 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.158 1.299 17.144 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.266 0.165 15.203 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.540 -1.242 16.211 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.904 -1.482 16.569 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.198 -0.049 15.604 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.140 -1.166 13.638 1.00 1.42 H new ATOM 0 HE3 LYS B 36 0.126 -2.603 14.605 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.864 -2.802 13.269 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.270 -2.804 14.917 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -2.528 -1.411 13.980 1.00 2.08 H new ATOM 1450 N LYS B 37 4.364 -0.001 17.298 1.00 0.48 N ATOM 1451 CA LYS B 37 5.479 -0.916 17.536 1.00 0.55 C ATOM 1452 C LYS B 37 5.024 -2.375 17.512 1.00 0.59 C ATOM 1453 O LYS B 37 5.302 -3.144 18.433 1.00 0.76 O ATOM 1454 CB LYS B 37 6.169 -0.589 18.865 1.00 0.72 C ATOM 1455 CG LYS B 37 7.537 -1.231 19.004 1.00 1.19 C ATOM 1456 CD LYS B 37 8.148 -0.974 20.367 1.00 1.42 C ATOM 1457 CE LYS B 37 9.525 -1.605 20.476 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.490 -3.070 20.213 1.00 2.60 N ATOM 0 H LYS B 37 4.529 0.644 16.525 1.00 0.48 H new ATOM 0 HA LYS B 37 6.196 -0.780 16.727 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.272 0.492 18.957 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.535 -0.920 19.687 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.452 -2.305 18.842 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.200 -0.843 18.230 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.222 0.100 20.539 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.497 -1.377 21.143 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.200 -1.126 19.767 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.928 -1.425 21.473 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.378 -3.503 20.540 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.689 -3.495 20.723 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.379 -3.237 19.193 1.00 2.60 H new ATOM 1472 N GLU B 38 4.336 -2.760 16.449 1.00 0.54 N ATOM 1473 CA GLU B 38 3.824 -4.116 16.335 1.00 0.69 C ATOM 1474 C GLU B 38 4.818 -4.967 15.555 1.00 0.69 C ATOM 1475 O GLU B 38 5.026 -6.140 15.854 1.00 1.03 O ATOM 1476 CB GLU B 38 2.452 -4.099 15.649 1.00 0.79 C ATOM 1477 CG GLU B 38 1.584 -5.324 15.927 1.00 1.35 C ATOM 1478 CD GLU B 38 1.976 -6.546 15.120 1.00 1.41 C ATOM 1479 OE1 GLU B 38 1.656 -6.593 13.914 1.00 1.86 O ATOM 1480 OE2 GLU B 38 2.586 -7.473 15.688 1.00 2.11 O ATOM 0 H GLU B 38 4.120 -2.156 15.656 1.00 0.54 H new ATOM 0 HA GLU B 38 3.700 -4.550 17.327 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.912 -3.208 15.969 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.600 -4.012 14.573 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.643 -5.566 16.988 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.544 -5.077 15.714 1.00 1.35 H new ATOM 1487 N ILE B 39 5.461 -4.346 14.582 1.00 0.42 N ATOM 1488 CA ILE B 39 6.399 -5.050 13.722 1.00 0.43 C ATOM 1489 C ILE B 39 7.775 -5.123 14.388 1.00 0.48 C ATOM 1490 O ILE B 39 8.127 -4.270 15.207 1.00 0.52 O ATOM 1491 CB ILE B 39 6.497 -4.367 12.337 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.220 -5.269 11.337 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.192 -3.017 12.444 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.129 -4.779 9.908 1.00 0.47 C ATOM 0 H ILE B 39 5.351 -3.355 14.367 1.00 0.42 H new ATOM 0 HA ILE B 39 6.032 -6.065 13.570 1.00 0.43 H new ATOM 0 HB ILE B 39 5.484 -4.198 11.973 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.270 -5.345 11.621 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.800 -6.273 11.396 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.248 -2.558 11.457 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.627 -2.369 13.114 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.199 -3.156 12.837 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.664 -5.467 9.253 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.083 -4.730 9.606 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.575 -3.787 9.834 1.00 0.47 H new ATOM 1501 N SER B 40 8.533 -6.157 14.055 1.00 0.55 N ATOM 1502 CA SER B 40 9.835 -6.384 14.661 1.00 0.62 C ATOM 1503 C SER B 40 10.891 -5.438 14.083 1.00 0.53 C ATOM 1504 O SER B 40 10.680 -4.844 13.023 1.00 0.48 O ATOM 1505 CB SER B 40 10.238 -7.845 14.461 1.00 0.77 C ATOM 1506 OG SER B 40 9.219 -8.713 14.939 1.00 1.82 O ATOM 0 H SER B 40 8.265 -6.857 13.363 1.00 0.55 H new ATOM 0 HA SER B 40 9.768 -6.174 15.729 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.420 -8.036 13.404 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.171 -8.046 14.987 1.00 0.77 H new ATOM 0 HG SER B 40 9.492 -9.644 14.802 1.00 1.82 H new ATOM 1512 N GLU B 41 12.017 -5.307 14.784 1.00 0.59 N ATOM 1513 CA GLU B 41 13.057 -4.335 14.436 1.00 0.60 C ATOM 1514 C GLU B 41 13.471 -4.423 12.969 1.00 0.49 C ATOM 1515 O GLU B 41 13.497 -3.412 12.263 1.00 0.46 O ATOM 1516 CB GLU B 41 14.284 -4.541 15.321 1.00 0.78 C ATOM 1517 CG GLU B 41 14.027 -4.274 16.792 1.00 1.08 C ATOM 1518 CD GLU B 41 15.271 -4.456 17.631 1.00 1.44 C ATOM 1519 OE1 GLU B 41 16.158 -3.578 17.585 1.00 1.99 O ATOM 1520 OE2 GLU B 41 15.372 -5.481 18.335 1.00 2.19 O ATOM 0 H GLU B 41 12.235 -5.869 15.607 1.00 0.59 H new ATOM 0 HA GLU B 41 12.634 -3.344 14.602 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.638 -5.565 15.203 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.084 -3.886 14.976 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.653 -3.258 16.915 1.00 1.08 H new ATOM 0 HG3 GLU B 41 13.247 -4.946 17.151 1.00 1.08 H new ATOM 1527 N ASP B 42 13.788 -5.631 12.516 1.00 0.52 N ATOM 1528 CA ASP B 42 14.244 -5.842 11.144 1.00 0.51 C ATOM 1529 C ASP B 42 13.179 -5.408 10.149 1.00 0.43 C ATOM 1530 O ASP B 42 13.481 -4.782 9.133 1.00 0.47 O ATOM 1531 CB ASP B 42 14.610 -7.309 10.911 1.00 0.61 C ATOM 1532 CG ASP B 42 15.832 -7.735 11.695 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.962 -7.522 11.211 1.00 2.29 O ATOM 1534 OD2 ASP B 42 15.671 -8.292 12.801 1.00 2.20 O ATOM 0 H ASP B 42 13.738 -6.481 13.078 1.00 0.52 H new ATOM 0 HA ASP B 42 15.135 -5.232 10.991 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.766 -7.939 11.190 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.790 -7.470 9.848 1.00 0.61 H new ATOM 1539 N GLY B 43 11.931 -5.732 10.455 1.00 0.39 N ATOM 1540 CA GLY B 43 10.830 -5.321 9.609 1.00 0.37 C ATOM 1541 C GLY B 43 10.653 -3.818 9.597 1.00 0.34 C ATOM 1542 O GLY B 43 10.421 -3.222 8.546 1.00 0.34 O ATOM 0 H GLY B 43 11.661 -6.274 11.276 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.003 -5.674 8.592 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.910 -5.791 9.957 1.00 0.37 H new ATOM 1546 N ALA B 44 10.779 -3.206 10.770 1.00 0.33 N ATOM 1547 CA ALA B 44 10.653 -1.760 10.905 1.00 0.33 C ATOM 1548 C ALA B 44 11.716 -1.046 10.079 1.00 0.32 C ATOM 1549 O ALA B 44 11.415 -0.102 9.349 1.00 0.31 O ATOM 1550 CB ALA B 44 10.755 -1.354 12.368 1.00 0.38 C ATOM 0 H ALA B 44 10.969 -3.693 11.646 1.00 0.33 H new ATOM 0 HA ALA B 44 9.673 -1.465 10.529 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.659 -0.272 12.453 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.958 -1.834 12.935 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.721 -1.665 12.765 1.00 0.38 H new ATOM 1556 N ASP B 45 12.956 -1.516 10.183 1.00 0.36 N ATOM 1557 CA ASP B 45 14.063 -0.931 9.430 1.00 0.38 C ATOM 1558 C ASP B 45 13.846 -1.104 7.933 1.00 0.36 C ATOM 1559 O ASP B 45 14.126 -0.201 7.143 1.00 0.37 O ATOM 1560 CB ASP B 45 15.393 -1.565 9.839 1.00 0.48 C ATOM 1561 CG ASP B 45 16.562 -0.990 9.064 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.954 0.163 9.344 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.089 -1.678 8.168 1.00 1.81 O ATOM 0 H ASP B 45 13.220 -2.299 10.780 1.00 0.36 H new ATOM 0 HA ASP B 45 14.098 0.134 9.660 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.555 -1.410 10.906 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.346 -2.642 9.677 1.00 0.48 H new ATOM 1568 N SER B 46 13.329 -2.265 7.554 1.00 0.37 N ATOM 1569 CA SER B 46 13.018 -2.544 6.161 1.00 0.40 C ATOM 1570 C SER B 46 11.967 -1.564 5.642 1.00 0.36 C ATOM 1571 O SER B 46 12.062 -1.074 4.518 1.00 0.38 O ATOM 1572 CB SER B 46 12.530 -3.985 6.014 1.00 0.50 C ATOM 1573 OG SER B 46 13.508 -4.901 6.479 1.00 0.98 O ATOM 0 H SER B 46 13.116 -3.030 8.195 1.00 0.37 H new ATOM 0 HA SER B 46 13.923 -2.419 5.566 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.605 -4.119 6.575 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.301 -4.191 4.968 1.00 0.50 H new ATOM 0 HG SER B 46 13.334 -5.116 7.419 1.00 0.98 H new ATOM 1579 N LEU B 47 10.977 -1.266 6.476 1.00 0.32 N ATOM 1580 CA LEU B 47 9.930 -0.320 6.112 1.00 0.30 C ATOM 1581 C LEU B 47 10.486 1.091 5.971 1.00 0.27 C ATOM 1582 O LEU B 47 9.995 1.877 5.165 1.00 0.28 O ATOM 1583 CB LEU B 47 8.805 -0.334 7.148 1.00 0.30 C ATOM 1584 CG LEU B 47 7.955 -1.604 7.166 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.884 -1.515 8.241 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.322 -1.834 5.801 1.00 0.41 C ATOM 0 H LEU B 47 10.878 -1.666 7.409 1.00 0.32 H new ATOM 0 HA LEU B 47 9.528 -0.630 5.147 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.241 -0.194 8.137 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.152 0.519 6.964 1.00 0.30 H new ATOM 0 HG LEU B 47 8.602 -2.450 7.397 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.289 -2.428 8.238 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.356 -1.392 9.216 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.238 -0.660 8.041 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.719 -2.742 5.828 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.688 -0.985 5.546 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.105 -1.940 5.050 1.00 0.41 H new ATOM 1598 N ASN B 48 11.515 1.403 6.749 1.00 0.26 N ATOM 1599 CA ASN B 48 12.129 2.725 6.705 1.00 0.26 C ATOM 1600 C ASN B 48 12.752 2.989 5.337 1.00 0.27 C ATOM 1601 O ASN B 48 12.374 3.940 4.650 1.00 0.32 O ATOM 1602 CB ASN B 48 13.194 2.876 7.797 1.00 0.28 C ATOM 1603 CG ASN B 48 12.630 2.842 9.209 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.293 2.377 10.137 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.419 3.349 9.391 1.00 0.40 N ATOM 0 H ASN B 48 11.941 0.761 7.417 1.00 0.26 H new ATOM 0 HA ASN B 48 11.342 3.458 6.882 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.928 2.078 7.689 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.723 3.818 7.649 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.007 3.363 10.324 1.00 0.40 H new ATOM 0 HD22 ASN B 48 10.899 3.725 8.598 1.00 0.40 H new ATOM 1612 N VAL B 49 13.691 2.133 4.931 1.00 0.27 N ATOM 1613 CA VAL B 49 14.357 2.295 3.639 1.00 0.29 C ATOM 1614 C VAL B 49 13.350 2.176 2.498 1.00 0.29 C ATOM 1615 O VAL B 49 13.452 2.875 1.487 1.00 0.32 O ATOM 1616 CB VAL B 49 15.513 1.278 3.442 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.017 -0.157 3.526 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.223 1.517 2.115 1.00 0.36 C ATOM 0 H VAL B 49 14.005 1.328 5.473 1.00 0.27 H new ATOM 0 HA VAL B 49 14.795 3.293 3.628 1.00 0.29 H new ATOM 0 HB VAL B 49 16.225 1.433 4.253 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.854 -0.840 3.383 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.570 -0.331 4.505 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.271 -0.330 2.750 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.029 0.793 1.998 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.512 1.404 1.296 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.636 2.526 2.100 1.00 0.36 H new ATOM 1622 N ALA B 50 12.362 1.307 2.676 1.00 0.30 N ATOM 1623 CA ALA B 50 11.310 1.140 1.690 1.00 0.34 C ATOM 1624 C ALA B 50 10.517 2.428 1.529 1.00 0.33 C ATOM 1625 O ALA B 50 10.179 2.817 0.419 1.00 0.37 O ATOM 1626 CB ALA B 50 10.381 0.001 2.083 1.00 0.37 C ATOM 0 H ALA B 50 12.270 0.708 3.496 1.00 0.30 H new ATOM 0 HA ALA B 50 11.777 0.895 0.736 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.600 -0.107 1.331 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.950 -0.926 2.151 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.926 0.219 3.049 1.00 0.37 H new ATOM 1632 N MET B 51 10.256 3.096 2.644 1.00 0.34 N ATOM 1633 CA MET B 51 9.421 4.291 2.659 1.00 0.39 C ATOM 1634 C MET B 51 10.056 5.427 1.873 1.00 0.31 C ATOM 1635 O MET B 51 9.373 6.133 1.130 1.00 0.30 O ATOM 1636 CB MET B 51 9.169 4.727 4.095 1.00 0.52 C ATOM 1637 CG MET B 51 8.052 5.742 4.233 1.00 0.62 C ATOM 1638 SD MET B 51 7.226 5.614 5.824 1.00 0.65 S ATOM 1639 CE MET B 51 6.867 3.857 5.841 1.00 0.41 C ATOM 0 H MET B 51 10.615 2.827 3.560 1.00 0.34 H new ATOM 0 HA MET B 51 8.473 4.045 2.180 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.928 3.850 4.695 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.086 5.151 4.504 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.457 6.747 4.114 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.326 5.594 3.434 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.080 3.653 6.568 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.536 3.544 4.851 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.766 3.305 6.115 1.00 0.41 H new ATOM 1649 N ASP B 52 11.358 5.604 2.044 1.00 0.31 N ATOM 1650 CA ASP B 52 12.096 6.607 1.284 1.00 0.32 C ATOM 1651 C ASP B 52 12.029 6.295 -0.201 1.00 0.28 C ATOM 1652 O ASP B 52 11.941 7.193 -1.037 1.00 0.30 O ATOM 1653 CB ASP B 52 13.554 6.674 1.739 1.00 0.42 C ATOM 1654 CG ASP B 52 13.741 7.541 2.967 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.459 7.068 4.088 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.176 8.703 2.819 1.00 1.84 O ATOM 0 H ASP B 52 11.926 5.068 2.700 1.00 0.31 H new ATOM 0 HA ASP B 52 11.635 7.578 1.466 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.911 5.666 1.952 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.167 7.064 0.926 1.00 0.42 H new ATOM 1661 N CYS B 53 12.049 5.011 -0.519 1.00 0.27 N ATOM 1662 CA CYS B 53 11.955 4.561 -1.895 1.00 0.27 C ATOM 1663 C CYS B 53 10.548 4.789 -2.448 1.00 0.28 C ATOM 1664 O CYS B 53 10.392 5.287 -3.559 1.00 0.36 O ATOM 1665 CB CYS B 53 12.336 3.086 -1.984 1.00 0.36 C ATOM 1666 SG CYS B 53 14.015 2.730 -1.417 1.00 1.05 S ATOM 0 H CYS B 53 12.130 4.258 0.164 1.00 0.27 H new ATOM 0 HA CYS B 53 12.650 5.143 -2.501 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.631 2.502 -1.392 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.234 2.756 -3.018 1.00 0.36 H new ATOM 0 HG CYS B 53 13.996 2.465 -0.144 1.00 1.05 H new ATOM 1672 N ILE B 54 9.529 4.432 -1.664 1.00 0.26 N ATOM 1673 CA ILE B 54 8.134 4.641 -2.058 1.00 0.29 C ATOM 1674 C ILE B 54 7.886 6.115 -2.356 1.00 0.30 C ATOM 1675 O ILE B 54 7.418 6.477 -3.435 1.00 0.33 O ATOM 1676 CB ILE B 54 7.142 4.201 -0.950 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.377 2.743 -0.544 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.704 4.388 -1.423 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.607 2.324 0.696 1.00 0.33 C ATOM 0 H ILE B 54 9.644 3.995 -0.749 1.00 0.26 H new ATOM 0 HA ILE B 54 7.965 4.032 -2.946 1.00 0.29 H new ATOM 0 HB ILE B 54 7.314 4.829 -0.076 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.095 2.094 -1.373 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.442 2.591 -0.369 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.018 4.075 -0.635 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.532 5.438 -1.658 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.533 3.784 -2.314 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.823 1.280 0.923 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.906 2.948 1.538 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.538 2.443 0.518 1.00 0.33 H new ATOM 1686 N SER B 55 8.233 6.956 -1.393 1.00 0.30 N ATOM 1687 CA SER B 55 7.996 8.388 -1.489 1.00 0.36 C ATOM 1688 C SER B 55 8.704 8.985 -2.705 1.00 0.38 C ATOM 1689 O SER B 55 8.097 9.709 -3.500 1.00 0.41 O ATOM 1690 CB SER B 55 8.473 9.070 -0.207 1.00 0.40 C ATOM 1691 OG SER B 55 7.911 8.448 0.938 1.00 0.80 O ATOM 0 H SER B 55 8.685 6.666 -0.526 1.00 0.30 H new ATOM 0 HA SER B 55 6.926 8.556 -1.614 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.561 9.028 -0.151 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.195 10.124 -0.226 1.00 0.40 H new ATOM 0 HG SER B 55 8.416 7.636 1.150 1.00 0.80 H new ATOM 1697 N GLU B 56 9.978 8.648 -2.863 1.00 0.39 N ATOM 1698 CA GLU B 56 10.790 9.212 -3.931 1.00 0.48 C ATOM 1699 C GLU B 56 10.349 8.682 -5.296 1.00 0.42 C ATOM 1700 O GLU B 56 10.488 9.367 -6.311 1.00 0.45 O ATOM 1701 CB GLU B 56 12.266 8.893 -3.690 1.00 0.59 C ATOM 1702 CG GLU B 56 13.214 9.797 -4.458 1.00 0.82 C ATOM 1703 CD GLU B 56 12.972 11.261 -4.156 1.00 1.81 C ATOM 1704 OE1 GLU B 56 13.158 11.675 -2.994 1.00 2.38 O ATOM 1705 OE2 GLU B 56 12.565 12.002 -5.074 1.00 2.66 O ATOM 0 H GLU B 56 10.471 7.986 -2.264 1.00 0.39 H new ATOM 0 HA GLU B 56 10.654 10.293 -3.930 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.479 8.978 -2.624 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.456 7.857 -3.971 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.243 9.540 -4.206 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.094 9.623 -5.527 1.00 0.82 H new ATOM 1712 N ALA B 57 9.812 7.469 -5.314 1.00 0.38 N ATOM 1713 CA ALA B 57 9.350 6.852 -6.552 1.00 0.39 C ATOM 1714 C ALA B 57 8.132 7.580 -7.112 1.00 0.33 C ATOM 1715 O ALA B 57 7.998 7.749 -8.324 1.00 0.38 O ATOM 1716 CB ALA B 57 9.024 5.384 -6.324 1.00 0.41 C ATOM 0 H ALA B 57 9.685 6.891 -4.483 1.00 0.38 H new ATOM 0 HA ALA B 57 10.155 6.927 -7.283 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.681 4.938 -7.258 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.917 4.862 -5.980 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.240 5.298 -5.571 1.00 0.41 H new ATOM 1722 N PHE B 58 7.244 8.006 -6.225 1.00 0.28 N ATOM 1723 CA PHE B 58 6.031 8.698 -6.637 1.00 0.27 C ATOM 1724 C PHE B 58 6.267 10.198 -6.769 1.00 0.30 C ATOM 1725 O PHE B 58 5.614 10.870 -7.568 1.00 0.38 O ATOM 1726 CB PHE B 58 4.898 8.426 -5.650 1.00 0.27 C ATOM 1727 CG PHE B 58 4.347 7.033 -5.739 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.052 5.955 -5.231 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.119 6.803 -6.332 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.544 4.676 -5.315 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.604 5.526 -6.420 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.318 4.461 -5.910 1.00 0.29 C ATOM 0 H PHE B 58 7.340 7.885 -5.217 1.00 0.28 H new ATOM 0 HA PHE B 58 5.745 8.314 -7.616 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.260 8.601 -4.637 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.093 9.139 -5.828 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.012 6.118 -4.763 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.556 7.634 -6.731 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.105 3.844 -4.916 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.644 5.360 -6.887 1.00 1.21 H new ATOM 0 HZ PHE B 58 2.917 3.460 -5.977 1.00 0.29 H new ATOM 1742 N GLY B 59 7.199 10.715 -5.983 1.00 0.33 N ATOM 1743 CA GLY B 59 7.558 12.114 -6.087 1.00 0.38 C ATOM 1744 C GLY B 59 7.029 12.948 -4.939 1.00 0.37 C ATOM 1745 O GLY B 59 6.592 14.082 -5.139 1.00 0.42 O ATOM 0 H GLY B 59 7.713 10.191 -5.275 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.644 12.203 -6.123 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.174 12.513 -7.026 1.00 0.38 H new ATOM 1749 N PHE B 60 7.064 12.395 -3.736 1.00 0.35 N ATOM 1750 CA PHE B 60 6.660 13.134 -2.548 1.00 0.39 C ATOM 1751 C PHE B 60 7.602 12.812 -1.399 1.00 0.39 C ATOM 1752 O PHE B 60 8.384 11.868 -1.479 1.00 0.42 O ATOM 1753 CB PHE B 60 5.204 12.819 -2.167 1.00 0.40 C ATOM 1754 CG PHE B 60 4.965 11.417 -1.666 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.706 10.383 -2.550 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.981 11.142 -0.306 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.474 9.101 -2.088 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.748 9.863 0.160 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.494 8.842 -0.731 1.00 0.33 C ATOM 0 H PHE B 60 7.368 11.438 -3.556 1.00 0.35 H new ATOM 0 HA PHE B 60 6.718 14.201 -2.765 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.885 13.523 -1.398 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.571 12.990 -3.038 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.685 10.580 -3.612 1.00 1.19 H new ATOM 0 HD2 PHE B 60 5.178 11.938 0.397 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.277 8.302 -2.788 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.765 9.663 1.221 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.311 7.841 -0.369 1.00 0.33 H new ATOM 1769 N GLU B 61 7.545 13.608 -0.343 1.00 0.47 N ATOM 1770 CA GLU B 61 8.408 13.399 0.809 1.00 0.55 C ATOM 1771 C GLU B 61 7.660 12.680 1.922 1.00 0.50 C ATOM 1772 O GLU B 61 6.443 12.821 2.040 1.00 0.47 O ATOM 1773 CB GLU B 61 8.944 14.733 1.324 1.00 0.70 C ATOM 1774 CG GLU B 61 9.718 15.521 0.283 1.00 0.80 C ATOM 1775 CD GLU B 61 10.282 16.808 0.839 1.00 1.48 C ATOM 1776 OE1 GLU B 61 9.522 17.791 0.967 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.488 16.844 1.157 1.00 2.06 O ATOM 0 H GLU B 61 6.912 14.403 -0.260 1.00 0.47 H new ATOM 0 HA GLU B 61 9.246 12.777 0.493 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.109 15.338 1.678 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.590 14.548 2.182 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.532 14.907 -0.103 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.063 15.748 -0.558 1.00 0.80 H new ATOM 1784 N ARG B 62 8.385 11.921 2.738 1.00 0.53 N ATOM 1785 CA ARG B 62 7.779 11.194 3.855 1.00 0.53 C ATOM 1786 C ARG B 62 7.059 12.167 4.775 1.00 0.52 C ATOM 1787 O ARG B 62 5.923 11.942 5.178 1.00 0.64 O ATOM 1788 CB ARG B 62 8.844 10.455 4.670 1.00 0.62 C ATOM 1789 CG ARG B 62 9.841 9.662 3.843 1.00 1.40 C ATOM 1790 CD ARG B 62 10.980 9.145 4.712 1.00 1.46 C ATOM 1791 NE ARG B 62 11.550 10.208 5.547 1.00 2.25 N ATOM 1792 CZ ARG B 62 12.800 10.227 6.005 1.00 2.60 C ATOM 1793 NH1 ARG B 62 13.655 9.260 5.694 1.00 2.13 N ATOM 1794 NH2 ARG B 62 13.196 11.231 6.774 1.00 3.67 N ATOM 0 H ARG B 62 9.393 11.792 2.649 1.00 0.53 H new ATOM 0 HA ARG B 62 7.076 10.471 3.441 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.389 11.181 5.273 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.346 9.776 5.362 1.00 0.62 H new ATOM 0 HG2 ARG B 62 9.336 8.824 3.363 1.00 1.40 H new ATOM 0 HG3 ARG B 62 10.242 10.291 3.048 1.00 1.40 H new ATOM 0 HD2 ARG B 62 10.615 8.338 5.348 1.00 1.46 H new ATOM 0 HD3 ARG B 62 11.759 8.723 4.078 1.00 1.46 H new ATOM 0 HE ARG B 62 10.944 10.990 5.795 1.00 2.25 H new ATOM 0 HH11 ARG B 62 13.357 8.489 5.097 1.00 2.13 H new ATOM 0 HH12 ARG B 62 14.609 9.288 6.053 1.00 2.13 H new ATOM 0 HH21 ARG B 62 12.545 11.980 7.010 1.00 3.67 H new ATOM 0 HH22 ARG B 62 14.152 11.255 7.130 1.00 3.67 H new ATOM 1808 N GLU B 63 7.723 13.275 5.064 1.00 0.57 N ATOM 1809 CA GLU B 63 7.208 14.270 5.993 1.00 0.63 C ATOM 1810 C GLU B 63 6.096 15.104 5.351 1.00 0.62 C ATOM 1811 O GLU B 63 5.591 16.050 5.953 1.00 0.74 O ATOM 1812 CB GLU B 63 8.340 15.194 6.468 1.00 0.73 C ATOM 1813 CG GLU B 63 9.452 14.497 7.252 1.00 1.69 C ATOM 1814 CD GLU B 63 10.253 13.508 6.419 1.00 2.52 C ATOM 1815 OE1 GLU B 63 10.689 13.873 5.307 1.00 3.19 O ATOM 1816 OE2 GLU B 63 10.430 12.354 6.859 1.00 3.12 O ATOM 0 H GLU B 63 8.631 13.510 4.663 1.00 0.57 H new ATOM 0 HA GLU B 63 6.791 13.741 6.850 1.00 0.63 H new ATOM 0 HB2 GLU B 63 8.780 15.683 5.599 1.00 0.73 H new ATOM 0 HB3 GLU B 63 7.912 15.978 7.092 1.00 0.73 H new ATOM 0 HG2 GLU B 63 10.128 15.250 7.656 1.00 1.69 H new ATOM 0 HG3 GLU B 63 9.014 13.973 8.101 1.00 1.69 H new ATOM 1823 N ALA B 64 5.717 14.748 4.130 1.00 0.55 N ATOM 1824 CA ALA B 64 4.693 15.485 3.407 1.00 0.59 C ATOM 1825 C ALA B 64 3.428 14.651 3.224 1.00 0.53 C ATOM 1826 O ALA B 64 2.438 15.130 2.668 1.00 0.56 O ATOM 1827 CB ALA B 64 5.228 15.939 2.057 1.00 0.66 C ATOM 0 H ALA B 64 6.104 13.953 3.621 1.00 0.55 H new ATOM 0 HA ALA B 64 4.429 16.361 3.999 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.452 16.490 1.525 1.00 0.66 H new ATOM 0 HB2 ALA B 64 6.093 16.585 2.207 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.522 15.068 1.471 1.00 0.66 H new ATOM 1833 N VAL B 65 3.456 13.409 3.702 1.00 0.50 N ATOM 1834 CA VAL B 65 2.310 12.511 3.556 1.00 0.46 C ATOM 1835 C VAL B 65 1.103 13.032 4.334 1.00 0.52 C ATOM 1836 O VAL B 65 -0.041 12.879 3.903 1.00 0.53 O ATOM 1837 CB VAL B 65 2.645 11.065 4.004 1.00 0.46 C ATOM 1838 CG1 VAL B 65 3.117 11.023 5.445 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.446 10.149 3.825 1.00 0.50 C ATOM 0 H VAL B 65 4.254 13.002 4.191 1.00 0.50 H new ATOM 0 HA VAL B 65 2.063 12.485 2.495 1.00 0.46 H new ATOM 0 HB VAL B 65 3.457 10.712 3.368 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.343 9.994 5.724 1.00 0.51 H new ATOM 0 HG12 VAL B 65 4.014 11.633 5.552 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.334 11.412 6.096 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.707 9.141 4.146 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.614 10.517 4.425 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.155 10.131 2.775 1.00 0.50 H new ATOM 1843 N SER B 66 1.367 13.672 5.465 1.00 0.62 N ATOM 1844 CA SER B 66 0.316 14.230 6.297 1.00 0.74 C ATOM 1845 C SER B 66 -0.469 15.300 5.540 1.00 0.75 C ATOM 1846 O SER B 66 -1.698 15.371 5.636 1.00 0.83 O ATOM 1847 CB SER B 66 0.933 14.803 7.571 1.00 0.88 C ATOM 1848 OG SER B 66 2.158 15.459 7.283 1.00 1.63 O ATOM 0 H SER B 66 2.309 13.817 5.827 1.00 0.62 H new ATOM 0 HA SER B 66 -0.386 13.440 6.565 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.239 15.505 8.034 1.00 0.88 H new ATOM 0 HB3 SER B 66 1.104 14.002 8.291 1.00 0.88 H new ATOM 0 HG SER B 66 2.538 15.821 8.111 1.00 1.63 H new ATOM 1854 N GLY B 67 0.247 16.115 4.770 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.394 17.130 3.961 1.00 0.74 C ATOM 1856 C GLY B 67 -1.189 16.529 2.820 1.00 0.69 C ATOM 1857 O GLY B 67 -2.271 17.012 2.486 1.00 0.74 O ATOM 0 H GLY B 67 1.264 16.088 4.694 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.055 17.729 4.588 1.00 0.74 H new ATOM 0 HA3 GLY B 67 0.362 17.805 3.560 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.656 15.464 2.227 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.337 14.770 1.141 1.00 0.58 C ATOM 1863 C ILE B 68 -2.669 14.204 1.622 1.00 0.62 C ATOM 1864 O ILE B 68 -3.715 14.469 1.032 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.482 13.616 0.569 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.862 14.146 0.061 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.229 12.900 -0.551 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.776 13.069 -0.481 1.00 0.45 C ATOM 0 H ILE B 68 0.247 15.063 2.482 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.505 15.503 0.352 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.292 12.900 1.369 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.679 14.883 -0.721 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.369 14.664 0.875 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.611 12.091 -0.941 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.161 12.490 -0.162 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.449 13.607 -1.351 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.708 13.520 -0.822 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.990 12.344 0.304 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.290 12.566 -1.317 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.619 13.452 2.716 1.00 0.61 N ATOM 1876 CA LEU B 69 -3.807 12.814 3.269 1.00 0.66 C ATOM 1877 C LEU B 69 -4.824 13.847 3.738 1.00 0.84 C ATOM 1878 O LEU B 69 -6.028 13.630 3.633 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.420 11.891 4.425 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.514 10.722 4.036 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.061 9.960 5.270 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.235 9.792 3.073 1.00 0.45 C ATOM 0 H LEU B 69 -1.763 13.269 3.240 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.270 12.223 2.479 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -2.918 12.482 5.191 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.330 11.493 4.874 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.631 11.123 3.538 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.418 9.133 4.971 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.508 10.630 5.929 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -2.932 9.570 5.797 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.578 8.965 2.805 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.134 9.401 3.549 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.511 10.342 2.173 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.329 14.974 4.241 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.206 16.030 4.710 1.00 0.93 C ATOM 1896 C GLY B 70 -5.997 16.666 3.582 1.00 0.98 C ATOM 1897 O GLY B 70 -7.145 17.072 3.769 1.00 1.24 O ATOM 0 H GLY B 70 -3.333 15.174 4.332 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -5.895 15.624 5.450 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -4.614 16.795 5.212 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.382 16.756 2.412 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.047 17.315 1.244 1.00 0.97 C ATOM 1903 C LYS B 71 -6.902 16.255 0.561 1.00 0.98 C ATOM 1904 O LYS B 71 -8.062 16.498 0.226 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.022 17.871 0.255 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.171 18.997 0.821 1.00 1.68 C ATOM 1907 CD LYS B 71 -3.175 19.518 -0.204 1.00 2.11 C ATOM 1908 CE LYS B 71 -2.185 18.446 -0.629 1.00 2.60 C ATOM 1909 NZ LYS B 71 -1.211 18.957 -1.627 1.00 3.15 N ATOM 0 H LYS B 71 -4.424 16.449 2.246 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.691 18.129 1.577 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.368 17.062 -0.069 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.545 18.233 -0.630 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.817 19.812 1.148 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -3.635 18.641 1.701 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.712 19.883 -1.079 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -2.634 20.366 0.215 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -1.649 18.079 0.246 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.726 17.599 -1.050 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -0.553 18.196 -1.891 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -1.720 19.284 -2.473 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -0.677 19.749 -1.217 1.00 3.15 H new ATOM 1923 N SER B 72 -6.319 15.077 0.376 1.00 0.91 N ATOM 1924 CA SER B 72 -6.997 13.966 -0.278 1.00 1.08 C ATOM 1925 C SER B 72 -8.209 13.514 0.535 1.00 1.03 C ATOM 1926 O SER B 72 -8.376 13.884 1.696 1.00 1.20 O ATOM 1927 CB SER B 72 -6.019 12.801 -0.466 1.00 1.29 C ATOM 1928 OG SER B 72 -6.654 11.688 -1.074 1.00 2.02 O ATOM 0 H SER B 72 -5.367 14.866 0.674 1.00 0.91 H new ATOM 0 HA SER B 72 -7.350 14.299 -1.254 1.00 1.08 H new ATOM 0 HB2 SER B 72 -5.179 13.124 -1.081 1.00 1.29 H new ATOM 0 HB3 SER B 72 -5.611 12.506 0.501 1.00 1.29 H new ATOM 0 HG SER B 72 -6.323 11.583 -1.991 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.047 12.695 -0.082 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.292 12.257 0.532 1.00 1.30 C ATOM 1936 C GLU B 73 -10.068 11.030 1.404 1.00 1.26 C ATOM 1937 O GLU B 73 -11.019 10.371 1.818 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.329 11.945 -0.547 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.688 13.141 -1.409 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.409 14.220 -0.631 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -11.745 14.972 0.107 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -13.643 14.330 -0.765 1.00 2.64 O ATOM 0 H GLU B 73 -8.886 12.317 -1.016 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.661 13.065 1.164 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.948 11.149 -1.186 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.233 11.566 -0.071 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.779 13.557 -1.844 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -12.317 12.813 -2.237 1.00 1.87 H new ATOM 1949 N PHE B 74 -8.809 10.721 1.671 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.471 9.597 2.527 1.00 1.02 C ATOM 1951 C PHE B 74 -8.210 10.072 3.950 1.00 1.07 C ATOM 1952 O PHE B 74 -7.828 9.292 4.822 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.265 8.843 1.970 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.541 8.206 0.637 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.503 7.216 0.520 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.843 8.593 -0.494 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.765 6.625 -0.700 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.100 8.005 -1.718 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.063 7.021 -1.820 1.00 1.19 C ATOM 0 H PHE B 74 -8.005 11.233 1.307 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.317 8.910 2.550 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.426 9.531 1.872 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -6.964 8.073 2.680 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.055 6.903 1.394 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.089 9.363 -0.419 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.518 5.854 -0.778 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.548 8.315 -2.593 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.267 6.561 -2.776 1.00 1.19 H new ATOM 1969 N LYS B 75 -8.419 11.362 4.167 1.00 1.12 N ATOM 1970 CA LYS B 75 -8.354 11.937 5.502 1.00 1.23 C ATOM 1971 C LYS B 75 -9.415 11.310 6.401 1.00 1.54 C ATOM 1972 O LYS B 75 -10.609 11.335 6.084 1.00 2.04 O ATOM 1973 CB LYS B 75 -8.536 13.456 5.435 1.00 1.42 C ATOM 1974 CG LYS B 75 -9.693 13.899 4.551 1.00 1.46 C ATOM 1975 CD LYS B 75 -9.818 15.411 4.512 1.00 1.65 C ATOM 1976 CE LYS B 75 -10.823 15.858 3.470 1.00 2.27 C ATOM 1977 NZ LYS B 75 -10.256 15.800 2.098 1.00 2.85 N ATOM 0 H LYS B 75 -8.636 12.034 3.431 1.00 1.12 H new ATOM 0 HA LYS B 75 -7.373 11.725 5.927 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -8.695 13.838 6.443 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -7.615 13.907 5.065 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -9.546 13.519 3.540 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -10.622 13.466 4.922 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -10.122 15.778 5.493 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -8.845 15.852 4.294 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -11.709 15.226 3.524 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -11.144 16.876 3.688 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -10.996 15.508 1.428 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -9.898 16.739 1.830 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -9.476 15.112 2.073 1.00 2.85 H new ATOM 1991 N GLY B 76 -8.972 10.724 7.503 1.00 1.89 N ATOM 1992 CA GLY B 76 -9.885 10.062 8.412 1.00 2.41 C ATOM 1993 C GLY B 76 -10.047 8.593 8.080 1.00 1.95 C ATOM 1994 O GLY B 76 -10.775 7.868 8.758 1.00 2.43 O ATOM 0 H GLY B 76 -7.992 10.695 7.785 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -9.519 10.165 9.433 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -10.857 10.553 8.371 1.00 2.41 H new ATOM 1998 N GLN B 77 -9.366 8.154 7.032 1.00 1.50 N ATOM 1999 CA GLN B 77 -9.432 6.770 6.593 1.00 1.32 C ATOM 2000 C GLN B 77 -8.060 6.118 6.683 1.00 1.10 C ATOM 2001 O GLN B 77 -7.035 6.793 6.587 1.00 1.50 O ATOM 2002 CB GLN B 77 -9.955 6.695 5.156 1.00 1.56 C ATOM 2003 CG GLN B 77 -11.393 7.162 5.012 1.00 2.02 C ATOM 2004 CD GLN B 77 -12.383 6.208 5.650 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -12.161 4.999 5.688 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -13.475 6.741 6.173 1.00 3.28 N ATOM 0 H GLN B 77 -8.756 8.744 6.466 1.00 1.50 H new ATOM 0 HA GLN B 77 -10.118 6.232 7.247 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -9.318 7.302 4.513 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -9.878 5.667 4.802 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -11.498 8.147 5.467 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -11.631 7.273 3.954 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -13.625 7.749 6.122 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -14.167 6.144 6.627 1.00 3.28 H new ATOM 2015 N HIS B 78 -8.043 4.810 6.885 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.792 4.069 6.951 1.00 0.85 C ATOM 2017 C HIS B 78 -6.762 2.992 5.877 1.00 0.69 C ATOM 2018 O HIS B 78 -7.807 2.432 5.547 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.602 3.422 8.324 1.00 1.02 C ATOM 2020 CG HIS B 78 -6.508 4.394 9.460 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -7.202 4.236 10.637 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -5.780 5.527 9.604 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -6.907 5.227 11.457 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -6.046 6.025 10.854 1.00 1.85 N ATOM 0 H HIS B 78 -8.880 4.240 7.006 1.00 0.88 H new ATOM 0 HA HIS B 78 -5.979 4.776 6.785 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -7.435 2.744 8.511 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -5.696 2.817 8.304 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -5.114 5.958 8.871 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -7.303 5.362 12.453 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -5.644 6.874 11.252 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.583 2.706 5.340 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.452 1.765 4.228 1.00 0.46 C ATOM 2035 C LEU B 79 -6.098 0.420 4.555 1.00 0.44 C ATOM 2036 O LEU B 79 -6.982 -0.046 3.836 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.976 1.556 3.879 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.720 0.701 2.637 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.218 1.409 1.388 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.245 0.370 2.509 1.00 0.41 C ATOM 0 H LEU B 79 -4.701 3.111 5.655 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.971 2.194 3.371 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.511 2.531 3.732 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.479 1.091 4.730 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.272 -0.232 2.746 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.027 0.785 0.515 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.289 1.592 1.476 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.696 2.359 1.276 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.085 -0.239 1.619 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.671 1.293 2.426 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.918 -0.182 3.390 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.665 -0.180 5.658 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.132 -1.504 6.053 1.00 0.54 C ATOM 2054 C ALA B 80 -7.646 -1.543 6.227 1.00 0.58 C ATOM 2055 O ALA B 80 -8.309 -2.478 5.771 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.446 -1.930 7.335 1.00 0.63 C ATOM 0 H ALA B 80 -4.987 0.233 6.298 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.877 -2.200 5.254 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.799 -2.920 7.625 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.368 -1.961 7.178 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.677 -1.216 8.126 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.185 -0.523 6.880 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.625 -0.422 7.097 1.00 0.70 C ATOM 2064 C ASP B 81 -10.359 -0.340 5.764 1.00 0.60 C ATOM 2065 O ASP B 81 -11.399 -0.970 5.572 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.947 0.807 7.947 1.00 0.78 C ATOM 2067 CG ASP B 81 -11.422 0.915 8.276 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -11.850 0.351 9.302 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -12.158 1.578 7.516 1.00 2.30 O ATOM 0 H ASP B 81 -7.646 0.250 7.271 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.958 -1.315 7.626 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.374 0.765 8.873 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.630 1.705 7.417 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.791 0.431 4.845 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.326 0.562 3.496 1.00 0.44 C ATOM 2076 C ILE B 82 -10.398 -0.795 2.798 1.00 0.48 C ATOM 2077 O ILE B 82 -11.444 -1.176 2.270 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.463 1.539 2.665 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.765 2.985 3.069 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.676 1.334 1.173 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.909 4.004 2.352 1.00 0.61 C ATOM 0 H ILE B 82 -8.949 0.982 5.013 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.337 0.961 3.575 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.414 1.331 2.875 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.815 3.198 2.868 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.619 3.091 4.144 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.055 2.036 0.617 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.402 0.314 0.903 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.724 1.504 0.928 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.178 5.006 2.688 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.858 3.817 2.573 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.073 3.925 1.277 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.288 -1.523 2.816 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.217 -2.835 2.179 1.00 0.52 C ATOM 2090 C LEU B 83 -10.201 -3.808 2.819 1.00 0.69 C ATOM 2091 O LEU B 83 -10.832 -4.610 2.132 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.794 -3.400 2.260 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.834 -2.959 1.147 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.656 -1.447 1.130 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.491 -3.645 1.316 1.00 0.43 C ATOM 0 H LEU B 83 -8.422 -1.227 3.266 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.487 -2.710 1.130 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.364 -3.113 3.219 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.855 -4.488 2.251 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.269 -3.252 0.192 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -5.970 -1.170 0.329 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.621 -0.969 0.962 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.249 -1.118 2.086 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.817 -3.326 0.521 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.065 -3.377 2.283 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.625 -4.725 1.265 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.336 -3.722 4.135 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.261 -4.580 4.868 1.00 0.94 C ATOM 2109 C ASN B 84 -12.705 -4.268 4.486 1.00 0.97 C ATOM 2110 O ASN B 84 -13.531 -5.171 4.336 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.065 -4.408 6.378 1.00 1.03 C ATOM 2112 CG ASN B 84 -12.013 -5.269 7.195 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -11.732 -6.436 7.461 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -13.125 -4.698 7.623 1.00 1.79 N ATOM 0 H ASN B 84 -9.817 -3.066 4.719 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.050 -5.616 4.602 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.037 -4.660 6.638 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.213 -3.361 6.642 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -13.783 -5.228 8.194 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -13.325 -3.727 7.382 1.00 1.79 H new ATOM 2121 N SER B 85 -12.999 -2.986 4.323 1.00 0.87 N ATOM 2122 CA SER B 85 -14.340 -2.545 3.973 1.00 0.93 C ATOM 2123 C SER B 85 -14.675 -2.927 2.534 1.00 0.91 C ATOM 2124 O SER B 85 -15.799 -3.327 2.232 1.00 1.01 O ATOM 2125 CB SER B 85 -14.461 -1.030 4.158 1.00 0.97 C ATOM 2126 OG SER B 85 -15.803 -0.597 4.000 1.00 1.50 O ATOM 0 H SER B 85 -12.322 -2.230 4.428 1.00 0.87 H new ATOM 0 HA SER B 85 -15.050 -3.041 4.635 1.00 0.93 H new ATOM 0 HB2 SER B 85 -14.101 -0.753 5.149 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.825 -0.521 3.434 1.00 0.97 H new ATOM 0 HG SER B 85 -15.850 0.374 4.125 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.691 -2.820 1.654 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.898 -3.077 0.235 1.00 0.95 C ATOM 2134 C ALA B 86 -13.569 -4.523 -0.127 1.00 1.14 C ATOM 2135 O ALA B 86 -13.090 -4.808 -1.227 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.060 -2.118 -0.592 1.00 1.09 C ATOM 0 H ALA B 86 -12.737 -2.556 1.898 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.953 -2.915 0.012 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.220 -2.316 -1.652 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -13.352 -1.092 -0.366 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.006 -2.256 -0.352 1.00 1.09 H new ATOM 2142 N SER B 87 -13.828 -5.433 0.796 1.00 1.42 N ATOM 2143 CA SER B 87 -13.616 -6.848 0.547 1.00 1.71 C ATOM 2144 C SER B 87 -14.747 -7.410 -0.313 1.00 1.54 C ATOM 2145 O SER B 87 -15.924 -7.124 -0.074 1.00 1.80 O ATOM 2146 CB SER B 87 -13.511 -7.600 1.877 1.00 2.36 C ATOM 2147 OG SER B 87 -14.525 -7.186 2.782 1.00 3.09 O ATOM 0 H SER B 87 -14.186 -5.217 1.726 1.00 1.42 H new ATOM 0 HA SER B 87 -12.681 -6.980 0.002 1.00 1.71 H new ATOM 0 HB2 SER B 87 -13.594 -8.672 1.699 1.00 2.36 H new ATOM 0 HB3 SER B 87 -12.531 -7.425 2.320 1.00 2.36 H new ATOM 0 HG SER B 87 -14.164 -6.508 3.391 1.00 3.09 H new ATOM 2153 N ARG B 88 -14.389 -8.194 -1.324 1.00 1.61 N ATOM 2154 CA ARG B 88 -15.374 -8.745 -2.247 1.00 1.65 C ATOM 2155 C ARG B 88 -15.843 -10.117 -1.780 1.00 1.89 C ATOM 2156 O ARG B 88 -15.215 -10.738 -0.922 1.00 2.39 O ATOM 2157 CB ARG B 88 -14.787 -8.867 -3.658 1.00 2.06 C ATOM 2158 CG ARG B 88 -13.659 -9.882 -3.759 1.00 2.62 C ATOM 2159 CD ARG B 88 -13.274 -10.165 -5.204 1.00 3.31 C ATOM 2160 NE ARG B 88 -14.375 -10.765 -5.954 1.00 4.01 N ATOM 2161 CZ ARG B 88 -14.229 -11.724 -6.866 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -13.023 -12.194 -7.164 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -15.294 -12.210 -7.487 1.00 5.55 N ATOM 0 H ARG B 88 -13.426 -8.462 -1.525 1.00 1.61 H new ATOM 0 HA ARG B 88 -16.224 -8.063 -2.269 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -15.581 -9.147 -4.350 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -14.417 -7.892 -3.975 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -12.788 -9.511 -3.218 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -13.963 -10.811 -3.276 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -12.969 -9.237 -5.687 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -12.413 -10.833 -5.226 1.00 3.31 H new ATOM 0 HE ARG B 88 -15.319 -10.427 -5.766 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -12.199 -11.820 -6.693 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -12.921 -12.929 -7.864 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -16.222 -11.849 -7.266 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -15.186 -12.945 -8.186 1.00 5.55 H new ATOM 2177 N VAL B 89 -16.948 -10.578 -2.347 1.00 2.00 N ATOM 2178 CA VAL B 89 -17.457 -11.914 -2.072 1.00 2.42 C ATOM 2179 C VAL B 89 -17.435 -12.749 -3.349 1.00 2.25 C ATOM 2180 O VAL B 89 -18.357 -12.678 -4.167 1.00 2.29 O ATOM 2181 CB VAL B 89 -18.895 -11.877 -1.509 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -19.363 -13.277 -1.137 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -18.981 -10.950 -0.307 1.00 3.55 C ATOM 0 H VAL B 89 -17.513 -10.042 -3.005 1.00 2.00 H new ATOM 0 HA VAL B 89 -16.811 -12.364 -1.318 1.00 2.42 H new ATOM 0 HB VAL B 89 -19.553 -11.490 -2.287 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -20.378 -13.229 -0.743 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -19.348 -13.913 -2.022 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -18.699 -13.693 -0.380 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -20.003 -10.940 0.072 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -18.307 -11.303 0.474 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -18.695 -9.941 -0.604 1.00 3.55 H new ATOM 2187 N PRO B 90 -16.361 -13.524 -3.550 1.00 2.60 N ATOM 2188 CA PRO B 90 -16.190 -14.356 -4.742 1.00 2.83 C ATOM 2189 C PRO B 90 -17.165 -15.529 -4.776 1.00 2.80 C ATOM 2190 O PRO B 90 -17.248 -16.315 -3.829 1.00 3.31 O ATOM 2191 CB PRO B 90 -14.746 -14.871 -4.634 1.00 3.67 C ATOM 2192 CG PRO B 90 -14.110 -14.067 -3.548 1.00 3.95 C ATOM 2193 CD PRO B 90 -15.223 -13.653 -2.633 1.00 3.28 C ATOM 0 HA PRO B 90 -16.384 -13.790 -5.653 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -14.726 -15.935 -4.396 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -14.214 -14.745 -5.577 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -13.364 -14.655 -3.013 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -13.597 -13.196 -3.957 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -15.409 -14.397 -1.859 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -15.003 -12.714 -2.126 1.00 3.28 H new ATOM 2201 N GLU B 91 -17.898 -15.646 -5.873 1.00 2.59 N ATOM 2202 CA GLU B 91 -18.861 -16.727 -6.038 1.00 2.75 C ATOM 2203 C GLU B 91 -18.310 -17.791 -6.980 1.00 2.55 C ATOM 2204 O GLU B 91 -19.056 -18.564 -7.583 1.00 2.94 O ATOM 2205 CB GLU B 91 -20.194 -16.180 -6.560 1.00 3.30 C ATOM 2206 CG GLU B 91 -20.082 -15.472 -7.901 1.00 3.94 C ATOM 2207 CD GLU B 91 -21.369 -14.792 -8.313 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -22.274 -15.479 -8.836 1.00 5.08 O ATOM 2209 OE2 GLU B 91 -21.484 -13.563 -8.123 1.00 5.01 O ATOM 0 H GLU B 91 -17.845 -15.005 -6.664 1.00 2.59 H new ATOM 0 HA GLU B 91 -19.036 -17.188 -5.066 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -20.903 -17.003 -6.652 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -20.604 -15.486 -5.826 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -19.285 -14.731 -7.850 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -19.797 -16.195 -8.666 1.00 3.94 H new ATOM 2216 N SER B 92 -16.994 -17.826 -7.088 1.00 2.56 N ATOM 2217 CA SER B 92 -16.321 -18.778 -7.950 1.00 2.76 C ATOM 2218 C SER B 92 -15.505 -19.746 -7.100 1.00 2.95 C ATOM 2219 O SER B 92 -15.934 -20.907 -6.940 1.00 3.07 O ATOM 2220 CB SER B 92 -15.424 -18.045 -8.955 1.00 3.61 C ATOM 2221 OG SER B 92 -14.954 -18.923 -9.968 1.00 4.13 O ATOM 2222 OXT SER B 92 -14.456 -19.335 -6.561 1.00 3.54 O ATOM 0 H SER B 92 -16.366 -17.200 -6.584 1.00 2.56 H new ATOM 0 HA SER B 92 -17.064 -19.344 -8.512 1.00 2.76 H new ATOM 0 HB2 SER B 92 -15.980 -17.226 -9.411 1.00 3.61 H new ATOM 0 HB3 SER B 92 -14.576 -17.603 -8.433 1.00 3.61 H new ATOM 0 HG SER B 92 -14.387 -18.426 -10.594 1.00 4.13 H new TER 2228 SER B 92