USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 MET CE :methyl -169:sc= -9.83! (180deg=-8.18!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -16.1! C(o=-26!,f=-24!) USER MOD Set 2.1: A 74 CYS SG : rot 73:sc= 1.2 USER MOD Set 2.2: A 124 HIS : no HE2:sc= 0.848 K(o=2,f=-7.3!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 167:sc= 0.543 (180deg=0.309) USER MOD Set 4.1: A 20 THR OG1 : rot 180:sc= 0.0269 USER MOD Set 4.2: A 23 GLN : amide:sc= 0 K(o=0.027,f=-1) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.18) USER MOD Single : A 12 THR OG1 : rot -100:sc= -0.0547 USER MOD Single : A 14 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.2!) USER MOD Single : A 29 THR OG1 : rot -100:sc= -0.31 USER MOD Single : A 33 GLN : amide:sc= -2.28 K(o=-2.3,f=-0.34) USER MOD Single : A 37 ASN : amide:sc= -0.92 K(o=-0.92,f=-7.1!) USER MOD Single : A 41 MET CE :methyl -166:sc= -0.472 (180deg=-1.48) USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.119 USER MOD Single : A 51 SER OG : rot -170:sc= -0.924 USER MOD Single : A 52 HIS : no HD1:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 55 ASN : amide:sc= -11.7! C(o=-12!,f=-26!) USER MOD Single : A 57 THR OG1 : rot 63:sc= 1.11 USER MOD Single : A 65 THR OG1 : rot -44:sc= 0.878 USER MOD Single : A 66 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5.1!) USER MOD Single : A 69 SER OG : rot -51:sc= -3.8! USER MOD Single : A 89 CYS SG : rot 77:sc= 0.527 USER MOD Single : A 91 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.038) USER MOD Single : A 98 SER OG : rot 83:sc= 0.419 USER MOD Single : A 100 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.03) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 146:sc= -3.42! (180deg=-6.28!) USER MOD Single : A 107 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-8.4!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -34:sc= -2.07! USER MOD Single : A 118 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.084) USER MOD Single : A 122 TYR OH : rot -89:sc= 0.886 USER MOD Single : A 133 MET CE :methyl 165:sc= -4.24! (180deg=-4.91!) USER MOD Single : A 135 SER OG : rot -70:sc= 0.925 USER MOD Single : A 138 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 139 GLN : amide:sc= -5.04! C(o=-5!,f=-9.7!) USER MOD Single : A 141 MET CE :methyl -127:sc= -5.02 (180deg=-9.23!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.854 4.224 -15.548 1.00 1.94 N ATOM 2 CA SER A 3 6.989 5.250 -14.480 1.00 1.63 C ATOM 3 C SER A 3 6.337 4.785 -13.182 1.00 1.31 C ATOM 4 O SER A 3 5.874 3.648 -13.079 1.00 1.66 O ATOM 5 CB SER A 3 6.339 6.547 -14.968 1.00 1.81 C ATOM 6 OG SER A 3 7.304 7.571 -15.133 1.00 2.13 O ATOM 0 HA SER A 3 8.046 5.415 -14.272 1.00 1.63 H new ATOM 0 HB2 SER A 3 5.829 6.368 -15.915 1.00 1.81 H new ATOM 0 HB3 SER A 3 5.581 6.869 -14.254 1.00 1.81 H new ATOM 0 HG SER A 3 6.863 8.388 -15.447 1.00 2.13 H new ATOM 12 N VAL A 4 6.302 5.672 -12.192 1.00 1.30 N ATOM 13 CA VAL A 4 5.706 5.348 -10.903 1.00 1.06 C ATOM 14 C VAL A 4 4.194 5.543 -10.934 1.00 0.93 C ATOM 15 O VAL A 4 3.703 6.628 -11.242 1.00 1.44 O ATOM 16 CB VAL A 4 6.307 6.207 -9.771 1.00 1.68 C ATOM 17 CG1 VAL A 4 6.009 7.683 -9.995 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.784 5.750 -8.417 1.00 2.29 C ATOM 0 H VAL A 4 6.678 6.618 -12.259 1.00 1.30 H new ATOM 0 HA VAL A 4 5.929 4.300 -10.705 1.00 1.06 H new ATOM 0 HB VAL A 4 7.389 6.076 -9.781 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.442 8.269 -9.184 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.441 8.001 -10.944 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.930 7.837 -10.017 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.219 6.368 -7.631 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.698 5.846 -8.395 1.00 2.29 H new ATOM 0 HG23 VAL A 4 6.059 4.708 -8.253 1.00 2.29 H new ATOM 22 N LEU A 5 3.461 4.481 -10.613 1.00 0.94 N ATOM 23 CA LEU A 5 2.003 4.535 -10.606 1.00 1.34 C ATOM 24 C LEU A 5 1.438 3.850 -9.367 1.00 1.09 C ATOM 25 O LEU A 5 1.952 2.824 -8.922 1.00 1.34 O ATOM 26 CB LEU A 5 1.441 3.879 -11.868 1.00 2.05 C ATOM 27 CG LEU A 5 1.324 4.805 -13.082 1.00 2.97 C ATOM 28 CD1 LEU A 5 2.327 4.413 -14.155 1.00 3.92 C ATOM 29 CD2 LEU A 5 -0.093 4.777 -13.641 1.00 3.33 C ATOM 0 H LEU A 5 3.852 3.575 -10.355 1.00 0.94 H new ATOM 0 HA LEU A 5 1.704 5.583 -10.586 1.00 1.34 H new ATOM 0 HB2 LEU A 5 2.077 3.035 -12.134 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.454 3.476 -11.641 1.00 2.05 H new ATOM 0 HG LEU A 5 1.548 5.822 -12.759 1.00 2.97 H new ATOM 0 HD11 LEU A 5 2.227 5.083 -15.009 1.00 3.92 H new ATOM 0 HD12 LEU A 5 3.337 4.486 -13.753 1.00 3.92 H new ATOM 0 HD13 LEU A 5 2.137 3.388 -14.474 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -0.157 5.441 -14.503 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.344 3.761 -13.946 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -0.793 5.109 -12.874 1.00 3.33 H new ATOM 35 N VAL A 6 0.374 4.425 -8.816 1.00 0.88 N ATOM 36 CA VAL A 6 -0.268 3.871 -7.630 1.00 0.75 C ATOM 37 C VAL A 6 -1.786 3.935 -7.760 1.00 0.75 C ATOM 38 O VAL A 6 -2.326 4.839 -8.397 1.00 1.03 O ATOM 39 CB VAL A 6 0.168 4.619 -6.355 1.00 0.94 C ATOM 40 CG1 VAL A 6 -0.203 6.091 -6.442 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.446 3.976 -5.119 1.00 1.02 C ATOM 0 H VAL A 6 -0.062 5.275 -9.173 1.00 0.88 H new ATOM 0 HA VAL A 6 0.044 2.830 -7.548 1.00 0.75 H new ATOM 0 HB VAL A 6 1.252 4.549 -6.270 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.114 6.600 -5.532 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.294 6.541 -7.301 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -1.283 6.188 -6.555 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.126 4.519 -4.230 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.533 4.010 -5.193 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.119 2.939 -5.048 1.00 1.02 H new ATOM 45 N ASP A 7 -2.472 2.967 -7.158 1.00 0.72 N ATOM 46 CA ASP A 7 -3.929 2.919 -7.218 1.00 0.83 C ATOM 47 C ASP A 7 -4.540 2.912 -5.820 1.00 0.75 C ATOM 48 O ASP A 7 -4.335 1.977 -5.045 1.00 0.99 O ATOM 49 CB ASP A 7 -4.385 1.681 -7.991 1.00 1.02 C ATOM 50 CG ASP A 7 -4.526 1.948 -9.477 1.00 1.78 C ATOM 51 OD1 ASP A 7 -3.516 2.318 -10.113 1.00 2.33 O ATOM 52 OD2 ASP A 7 -5.646 1.785 -10.005 1.00 2.52 O ATOM 0 H ASP A 7 -2.045 2.209 -6.626 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.273 3.814 -7.736 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -3.668 0.874 -7.836 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.341 1.339 -7.594 1.00 1.02 H new ATOM 57 N LEU A 8 -5.302 3.957 -5.513 1.00 0.63 N ATOM 58 CA LEU A 8 -5.958 4.074 -4.216 1.00 0.74 C ATOM 59 C LEU A 8 -7.380 3.526 -4.293 1.00 0.59 C ATOM 60 O LEU A 8 -8.233 4.091 -4.976 1.00 0.79 O ATOM 61 CB LEU A 8 -5.979 5.537 -3.761 1.00 1.20 C ATOM 62 CG LEU A 8 -5.147 5.839 -2.514 1.00 0.83 C ATOM 63 CD1 LEU A 8 -5.719 5.117 -1.304 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.694 5.445 -2.735 1.00 1.52 C ATOM 0 H LEU A 8 -5.480 4.736 -6.146 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.396 3.490 -3.487 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.619 6.161 -4.579 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -7.012 5.827 -3.569 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.187 6.912 -2.324 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -5.114 5.343 -0.426 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -6.744 5.447 -1.134 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -5.709 4.042 -1.484 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -3.116 5.667 -1.838 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.635 4.378 -2.950 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.288 6.008 -3.576 1.00 1.52 H new ATOM 70 N GLN A 9 -7.626 2.419 -3.600 1.00 0.65 N ATOM 71 CA GLN A 9 -8.946 1.797 -3.610 1.00 0.80 C ATOM 72 C GLN A 9 -9.623 1.892 -2.246 1.00 0.79 C ATOM 73 O GLN A 9 -9.168 1.292 -1.272 1.00 0.81 O ATOM 74 CB GLN A 9 -8.835 0.331 -4.032 1.00 1.03 C ATOM 75 CG GLN A 9 -10.013 -0.153 -4.861 1.00 1.27 C ATOM 76 CD GLN A 9 -10.094 0.529 -6.212 1.00 1.82 C ATOM 77 OE1 GLN A 9 -11.081 1.195 -6.527 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.053 0.367 -7.021 1.00 2.59 N ATOM 0 H GLN A 9 -6.934 1.936 -3.027 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.560 2.338 -4.330 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -7.918 0.195 -4.605 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -8.749 -0.290 -3.140 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -9.932 -1.230 -5.006 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.937 0.026 -4.312 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -8.255 -0.193 -6.720 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.051 0.803 -7.943 1.00 2.59 H new ATOM 85 N ILE A 10 -10.725 2.634 -2.193 1.00 0.83 N ATOM 86 CA ILE A 10 -11.481 2.795 -0.957 1.00 0.86 C ATOM 87 C ILE A 10 -12.705 1.882 -0.974 1.00 1.02 C ATOM 88 O ILE A 10 -13.508 1.923 -1.906 1.00 1.23 O ATOM 89 CB ILE A 10 -11.907 4.272 -0.743 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.054 4.909 0.358 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.392 4.389 -0.407 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.432 4.472 1.759 1.00 1.19 C ATOM 0 H ILE A 10 -11.114 3.133 -2.993 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.837 2.514 -0.124 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.742 4.808 -1.678 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -10.007 4.662 0.181 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.142 5.993 0.290 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.651 5.438 -0.264 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.984 3.977 -1.224 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.603 3.836 0.508 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -10.783 4.966 2.482 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.469 4.743 1.957 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.317 3.392 1.847 1.00 1.19 H new ATOM 96 N ALA A 11 -12.830 1.048 0.050 1.00 0.97 N ATOM 97 CA ALA A 11 -13.947 0.112 0.137 1.00 1.15 C ATOM 98 C ALA A 11 -14.744 0.292 1.425 1.00 1.15 C ATOM 99 O ALA A 11 -15.946 0.028 1.461 1.00 1.32 O ATOM 100 CB ALA A 11 -13.432 -1.314 0.024 1.00 1.30 C ATOM 0 H ALA A 11 -12.175 0.999 0.830 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.625 0.320 -0.691 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.269 -2.009 0.089 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -12.927 -1.444 -0.933 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -12.731 -1.513 0.834 1.00 1.30 H new ATOM 106 N THR A 12 -14.074 0.736 2.483 1.00 1.10 N ATOM 107 CA THR A 12 -14.732 0.940 3.768 1.00 1.29 C ATOM 108 C THR A 12 -15.859 1.959 3.648 1.00 1.72 C ATOM 109 O THR A 12 -15.853 2.803 2.752 1.00 2.07 O ATOM 110 CB THR A 12 -13.720 1.408 4.813 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.375 1.792 6.009 1.00 1.78 O ATOM 112 CG2 THR A 12 -12.888 2.581 4.348 1.00 1.29 C ATOM 0 H THR A 12 -13.079 0.961 2.476 1.00 1.10 H new ATOM 0 HA THR A 12 -15.159 -0.012 4.083 1.00 1.29 H new ATOM 0 HB THR A 12 -13.060 0.557 4.982 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.454 2.768 6.040 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.189 2.866 5.134 1.00 1.29 H new ATOM 0 HG22 THR A 12 -12.333 2.301 3.453 1.00 1.29 H new ATOM 0 HG23 THR A 12 -13.541 3.423 4.121 1.00 1.29 H new ATOM 117 N GLU A 13 -16.824 1.873 4.556 1.00 2.10 N ATOM 118 CA GLU A 13 -17.961 2.786 4.552 1.00 2.62 C ATOM 119 C GLU A 13 -17.804 3.855 5.628 1.00 2.49 C ATOM 120 O GLU A 13 -18.019 5.041 5.374 1.00 2.85 O ATOM 121 CB GLU A 13 -19.261 2.011 4.768 1.00 3.24 C ATOM 122 CG GLU A 13 -20.365 2.391 3.795 1.00 3.89 C ATOM 123 CD GLU A 13 -20.206 1.726 2.443 1.00 4.72 C ATOM 124 OE1 GLU A 13 -20.436 0.501 2.353 1.00 5.17 O ATOM 125 OE2 GLU A 13 -19.850 2.429 1.473 1.00 5.27 O ATOM 0 H GLU A 13 -16.842 1.180 5.305 1.00 2.10 H new ATOM 0 HA GLU A 13 -17.998 3.280 3.581 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.058 0.944 4.675 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.611 2.182 5.786 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.330 2.115 4.220 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.372 3.473 3.665 1.00 3.89 H new ATOM 132 N ASN A 14 -17.428 3.431 6.830 1.00 2.26 N ATOM 133 CA ASN A 14 -17.243 4.355 7.942 1.00 2.51 C ATOM 134 C ASN A 14 -15.771 4.707 8.117 1.00 1.99 C ATOM 135 O ASN A 14 -14.947 3.844 8.423 1.00 1.78 O ATOM 136 CB ASN A 14 -17.793 3.748 9.234 1.00 3.10 C ATOM 137 CG ASN A 14 -19.296 3.554 9.189 1.00 3.79 C ATOM 138 OD1 ASN A 14 -20.050 4.312 9.801 1.00 4.30 O ATOM 139 ND2 ASN A 14 -19.739 2.536 8.462 1.00 4.18 N ATOM 0 H ASN A 14 -17.246 2.454 7.058 1.00 2.26 H new ATOM 0 HA ASN A 14 -17.792 5.270 7.717 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -17.311 2.787 9.414 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -17.538 4.395 10.073 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -20.741 2.356 8.394 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -19.078 1.934 7.972 1.00 4.18 H new ATOM 144 N ILE A 15 -15.445 5.979 7.920 1.00 2.45 N ATOM 145 CA ILE A 15 -14.071 6.451 8.056 1.00 2.24 C ATOM 146 C ILE A 15 -14.034 7.912 8.488 1.00 1.60 C ATOM 147 O ILE A 15 -15.072 8.520 8.748 1.00 1.92 O ATOM 148 CB ILE A 15 -13.274 6.295 6.739 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.217 6.219 5.535 1.00 2.89 C ATOM 150 CG2 ILE A 15 -12.388 5.061 6.799 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.983 7.501 5.285 1.00 3.61 C ATOM 0 H ILE A 15 -16.115 6.704 7.665 1.00 2.45 H new ATOM 0 HA ILE A 15 -13.605 5.832 8.822 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.641 7.174 6.618 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.638 5.972 4.645 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -14.926 5.406 5.690 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -11.834 4.965 5.865 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -11.687 5.156 7.629 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.007 4.176 6.946 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.631 7.375 4.418 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.589 7.739 6.159 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.281 8.314 5.098 1.00 3.61 H new ATOM 155 N GLU A 16 -12.831 8.473 8.553 1.00 1.45 N ATOM 156 CA GLU A 16 -12.655 9.866 8.944 1.00 1.67 C ATOM 157 C GLU A 16 -12.526 10.755 7.711 1.00 1.94 C ATOM 158 O GLU A 16 -11.790 11.743 7.719 1.00 2.67 O ATOM 159 CB GLU A 16 -11.418 10.016 9.829 1.00 2.11 C ATOM 160 CG GLU A 16 -11.350 11.346 10.563 1.00 3.11 C ATOM 161 CD GLU A 16 -9.930 11.747 10.913 1.00 3.84 C ATOM 162 OE1 GLU A 16 -9.103 10.845 11.161 1.00 4.53 O ATOM 163 OE2 GLU A 16 -9.647 12.963 10.941 1.00 4.13 O ATOM 0 H GLU A 16 -11.962 7.983 8.339 1.00 1.45 H new ATOM 0 HA GLU A 16 -13.533 10.178 9.509 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -11.404 9.207 10.559 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -10.526 9.905 9.213 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -11.801 12.122 9.944 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -11.942 11.283 11.476 1.00 3.11 H new ATOM 170 N GLY A 17 -13.244 10.394 6.652 1.00 1.95 N ATOM 171 CA GLY A 17 -13.197 11.161 5.422 1.00 2.86 C ATOM 172 C GLY A 17 -12.669 10.347 4.258 1.00 2.74 C ATOM 173 O GLY A 17 -11.520 9.907 4.274 1.00 3.16 O ATOM 0 H GLY A 17 -13.859 9.581 6.625 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -14.197 11.525 5.185 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.565 12.037 5.566 1.00 2.86 H new ATOM 177 N LEU A 18 -13.511 10.144 3.248 1.00 2.64 N ATOM 178 CA LEU A 18 -13.128 9.372 2.066 1.00 2.63 C ATOM 179 C LEU A 18 -11.746 9.789 1.558 1.00 2.01 C ATOM 180 O LEU A 18 -11.602 10.833 0.922 1.00 2.22 O ATOM 181 CB LEU A 18 -14.163 9.553 0.954 1.00 3.46 C ATOM 182 CG LEU A 18 -15.440 8.723 1.110 1.00 3.97 C ATOM 183 CD1 LEU A 18 -15.102 7.251 1.283 1.00 4.46 C ATOM 184 CD2 LEU A 18 -16.264 9.224 2.286 1.00 4.91 C ATOM 0 H LEU A 18 -14.465 10.504 3.223 1.00 2.64 H new ATOM 0 HA LEU A 18 -13.088 8.321 2.353 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -14.438 10.607 0.903 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.698 9.299 0.002 1.00 3.46 H new ATOM 0 HG LEU A 18 -16.034 8.835 0.203 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -16.022 6.677 1.392 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -14.556 6.898 0.408 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.486 7.121 2.173 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -17.167 8.621 2.380 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -15.678 9.144 3.201 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -16.538 10.266 2.120 1.00 4.91 H new ATOM 190 N PRO A 19 -10.709 8.977 1.833 1.00 1.58 N ATOM 191 CA PRO A 19 -9.340 9.274 1.398 1.00 1.46 C ATOM 192 C PRO A 19 -9.262 9.593 -0.090 1.00 1.48 C ATOM 193 O PRO A 19 -9.720 8.815 -0.927 1.00 2.32 O ATOM 194 CB PRO A 19 -8.580 7.982 1.706 1.00 1.63 C ATOM 195 CG PRO A 19 -9.347 7.346 2.813 1.00 1.84 C ATOM 196 CD PRO A 19 -10.787 7.710 2.587 1.00 1.84 C ATOM 0 HA PRO A 19 -8.936 10.153 1.900 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -8.534 7.332 0.832 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.552 8.189 2.004 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.213 6.264 2.808 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.002 7.705 3.782 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.312 6.939 2.023 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.322 7.836 3.529 1.00 1.84 H new ATOM 204 N THR A 20 -8.677 10.741 -0.414 1.00 1.19 N ATOM 205 CA THR A 20 -8.538 11.160 -1.804 1.00 1.25 C ATOM 206 C THR A 20 -7.199 10.704 -2.374 1.00 1.21 C ATOM 207 O THR A 20 -6.147 10.942 -1.783 1.00 1.19 O ATOM 208 CB THR A 20 -8.664 12.680 -1.919 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.950 13.325 -0.878 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.097 13.167 -1.868 1.00 2.03 C ATOM 0 H THR A 20 -8.292 11.397 0.266 1.00 1.19 H new ATOM 0 HA THR A 20 -9.338 10.695 -2.380 1.00 1.25 H new ATOM 0 HB THR A 20 -8.247 12.931 -2.894 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.042 14.296 -0.971 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.115 14.253 -1.955 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.660 12.728 -2.691 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.548 12.871 -0.921 1.00 2.03 H new ATOM 215 N GLU A 21 -7.248 10.045 -3.527 1.00 1.30 N ATOM 216 CA GLU A 21 -6.039 9.551 -4.177 1.00 1.28 C ATOM 217 C GLU A 21 -5.101 10.699 -4.534 1.00 1.19 C ATOM 218 O GLU A 21 -3.902 10.627 -4.283 1.00 1.10 O ATOM 219 CB GLU A 21 -6.396 8.757 -5.433 1.00 1.44 C ATOM 220 CG GLU A 21 -7.322 9.498 -6.384 1.00 1.56 C ATOM 221 CD GLU A 21 -6.582 10.113 -7.557 1.00 1.94 C ATOM 222 OE1 GLU A 21 -5.617 9.486 -8.045 1.00 2.54 O ATOM 223 OE2 GLU A 21 -6.966 11.220 -7.987 1.00 2.04 O ATOM 0 H GLU A 21 -8.111 9.841 -4.030 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.525 8.894 -3.476 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.478 8.499 -5.962 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.868 7.820 -5.137 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.080 8.809 -6.758 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.846 10.282 -5.838 1.00 1.56 H new ATOM 230 N GLU A 22 -5.649 11.757 -5.122 1.00 1.24 N ATOM 231 CA GLU A 22 -4.844 12.911 -5.510 1.00 1.18 C ATOM 232 C GLU A 22 -3.956 13.374 -4.357 1.00 1.05 C ATOM 233 O GLU A 22 -2.737 13.481 -4.503 1.00 0.99 O ATOM 234 CB GLU A 22 -5.748 14.059 -5.966 1.00 1.26 C ATOM 235 CG GLU A 22 -5.994 14.082 -7.466 1.00 1.93 C ATOM 236 CD GLU A 22 -7.440 14.369 -7.816 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.967 15.405 -7.359 1.00 2.76 O ATOM 238 OE2 GLU A 22 -8.047 13.558 -8.548 1.00 3.23 O ATOM 0 H GLU A 22 -6.642 11.840 -5.340 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.202 12.610 -6.338 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.705 13.983 -5.451 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.298 15.005 -5.666 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.357 14.839 -7.923 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.705 13.122 -7.892 1.00 1.93 H new ATOM 245 N GLN A 23 -4.575 13.640 -3.211 1.00 1.02 N ATOM 246 CA GLN A 23 -3.843 14.089 -2.032 1.00 0.93 C ATOM 247 C GLN A 23 -2.842 13.034 -1.572 1.00 0.82 C ATOM 248 O GLN A 23 -1.636 13.275 -1.557 1.00 0.77 O ATOM 249 CB GLN A 23 -4.815 14.412 -0.895 1.00 0.99 C ATOM 250 CG GLN A 23 -4.234 15.345 0.155 1.00 0.97 C ATOM 251 CD GLN A 23 -5.265 15.787 1.175 1.00 1.14 C ATOM 252 OE1 GLN A 23 -6.451 15.483 1.050 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.815 16.509 2.195 1.00 1.09 N ATOM 0 H GLN A 23 -5.582 13.552 -3.074 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.293 14.991 -2.302 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.714 14.865 -1.314 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.121 13.483 -0.414 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -3.413 14.843 0.667 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -3.814 16.223 -0.336 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.823 16.738 2.259 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -5.461 16.834 2.914 1.00 1.09 H new ATOM 260 N ILE A 24 -3.350 11.864 -1.200 1.00 0.83 N ATOM 261 CA ILE A 24 -2.502 10.769 -0.738 1.00 0.74 C ATOM 262 C ILE A 24 -1.424 10.434 -1.766 1.00 0.69 C ATOM 263 O ILE A 24 -0.227 10.524 -1.482 1.00 0.67 O ATOM 264 CB ILE A 24 -3.335 9.501 -0.447 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.446 9.814 0.558 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.443 8.380 0.075 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.314 8.620 0.890 1.00 1.43 C ATOM 0 H ILE A 24 -4.347 11.648 -1.209 1.00 0.83 H new ATOM 0 HA ILE A 24 -2.026 11.103 0.184 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.793 9.168 -1.378 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.998 10.194 1.476 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.074 10.609 0.157 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -3.049 7.496 0.274 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.685 8.141 -0.671 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.956 8.701 0.996 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.080 8.915 1.608 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.791 8.253 -0.019 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.698 7.831 1.321 1.00 1.43 H new ATOM 271 N VAL A 25 -1.859 10.047 -2.962 1.00 0.77 N ATOM 272 CA VAL A 25 -0.940 9.694 -4.038 1.00 0.77 C ATOM 273 C VAL A 25 0.096 10.791 -4.261 1.00 0.74 C ATOM 274 O VAL A 25 1.298 10.551 -4.151 1.00 0.73 O ATOM 275 CB VAL A 25 -1.691 9.426 -5.360 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.721 9.043 -6.465 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.739 8.338 -5.170 1.00 1.45 C ATOM 0 H VAL A 25 -2.845 9.970 -3.210 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.432 8.780 -3.731 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.197 10.345 -5.654 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.273 8.859 -7.386 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.011 9.855 -6.623 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.182 8.140 -6.179 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.257 8.164 -6.113 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.253 7.417 -4.847 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.458 8.653 -4.414 1.00 1.45 H new ATOM 281 N GLN A 26 -0.372 11.999 -4.571 1.00 0.76 N ATOM 282 CA GLN A 26 0.531 13.123 -4.799 1.00 0.77 C ATOM 283 C GLN A 26 1.409 13.358 -3.576 1.00 0.72 C ATOM 284 O GLN A 26 2.614 13.564 -3.691 1.00 0.71 O ATOM 285 CB GLN A 26 -0.258 14.391 -5.127 1.00 0.85 C ATOM 286 CG GLN A 26 0.624 15.585 -5.460 1.00 0.94 C ATOM 287 CD GLN A 26 0.422 16.084 -6.879 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.607 15.820 -7.500 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.408 16.808 -7.396 1.00 2.19 N ATOM 0 H GLN A 26 -1.362 12.222 -4.669 1.00 0.76 H new ATOM 0 HA GLN A 26 1.169 12.879 -5.649 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.918 14.191 -5.971 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.893 14.644 -4.278 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.412 16.394 -4.761 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.669 15.309 -5.321 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.243 17.001 -6.843 1.00 2.19 H new ATOM 0 HE22 GLN A 26 1.330 17.171 -8.346 1.00 2.19 H new ATOM 296 N TRP A 27 0.798 13.322 -2.402 1.00 0.74 N ATOM 297 CA TRP A 27 1.529 13.528 -1.159 1.00 0.76 C ATOM 298 C TRP A 27 2.719 12.571 -1.066 1.00 0.69 C ATOM 299 O TRP A 27 3.873 13.002 -1.004 1.00 0.67 O ATOM 300 CB TRP A 27 0.579 13.332 0.031 1.00 0.92 C ATOM 301 CG TRP A 27 1.269 13.082 1.340 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.298 11.908 2.035 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.017 14.027 2.114 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.018 12.063 3.193 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.472 13.354 3.264 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.350 15.373 1.945 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.240 13.983 4.240 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.112 15.997 2.916 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.550 15.302 4.050 1.00 0.87 C ATOM 0 H TRP A 27 -0.201 13.152 -2.283 1.00 0.74 H new ATOM 0 HA TRP A 27 1.919 14.546 -1.139 1.00 0.76 H new ATOM 0 HB2 TRP A 27 -0.049 14.217 0.129 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.083 12.493 -0.183 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.823 10.991 1.720 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.188 11.336 3.888 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.019 15.916 1.072 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.579 13.449 5.116 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.374 17.038 2.798 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.145 15.818 4.790 1.00 0.87 H new ATOM 320 N ALA A 28 2.435 11.274 -1.062 1.00 0.70 N ATOM 321 CA ALA A 28 3.487 10.268 -0.973 1.00 0.72 C ATOM 322 C ALA A 28 4.162 10.031 -2.322 1.00 0.68 C ATOM 323 O ALA A 28 5.281 10.498 -2.563 1.00 0.73 O ATOM 324 CB ALA A 28 2.917 8.966 -0.431 1.00 0.78 C ATOM 0 H ALA A 28 1.490 10.895 -1.119 1.00 0.70 H new ATOM 0 HA ALA A 28 4.248 10.642 -0.288 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.709 8.220 -0.368 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.499 9.137 0.561 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.133 8.607 -1.098 1.00 0.78 H new ATOM 330 N THR A 29 3.487 9.292 -3.197 1.00 0.63 N ATOM 331 CA THR A 29 4.037 8.985 -4.512 1.00 0.67 C ATOM 332 C THR A 29 4.518 10.244 -5.224 1.00 0.64 C ATOM 333 O THR A 29 5.398 10.179 -6.083 1.00 0.72 O ATOM 334 CB THR A 29 3.012 8.251 -5.376 1.00 0.69 C ATOM 335 OG1 THR A 29 1.945 7.761 -4.585 1.00 1.02 O ATOM 336 CG2 THR A 29 3.609 7.078 -6.123 1.00 0.74 C ATOM 0 H THR A 29 2.563 8.897 -3.020 1.00 0.63 H new ATOM 0 HA THR A 29 4.896 8.332 -4.359 1.00 0.67 H new ATOM 0 HB THR A 29 2.655 8.985 -6.098 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.080 6.807 -4.408 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.835 6.595 -6.720 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.405 7.431 -6.778 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.017 6.362 -5.410 1.00 0.74 H new ATOM 341 N GLY A 30 3.954 11.391 -4.860 1.00 0.60 N ATOM 342 CA GLY A 30 4.375 12.627 -5.481 1.00 0.64 C ATOM 343 C GLY A 30 5.764 13.019 -5.037 1.00 0.66 C ATOM 344 O GLY A 30 6.580 13.464 -5.844 1.00 0.72 O ATOM 0 H GLY A 30 3.223 11.484 -4.155 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.355 12.517 -6.565 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.672 13.421 -5.228 1.00 0.64 H new ATOM 348 N ALA A 31 6.046 12.834 -3.750 1.00 0.65 N ATOM 349 CA ALA A 31 7.362 13.154 -3.216 1.00 0.73 C ATOM 350 C ALA A 31 8.446 12.428 -4.010 1.00 0.75 C ATOM 351 O ALA A 31 9.569 12.915 -4.137 1.00 0.83 O ATOM 352 CB ALA A 31 7.441 12.784 -1.742 1.00 0.82 C ATOM 0 H ALA A 31 5.386 12.467 -3.065 1.00 0.65 H new ATOM 0 HA ALA A 31 7.525 14.228 -3.310 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.431 13.029 -1.358 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.687 13.342 -1.186 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.261 11.715 -1.625 1.00 0.82 H new ATOM 358 N VAL A 32 8.095 11.259 -4.546 1.00 0.76 N ATOM 359 CA VAL A 32 9.035 10.463 -5.334 1.00 0.87 C ATOM 360 C VAL A 32 8.898 10.734 -6.834 1.00 0.91 C ATOM 361 O VAL A 32 9.754 10.331 -7.621 1.00 1.03 O ATOM 362 CB VAL A 32 8.849 8.953 -5.086 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.488 8.487 -5.585 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.966 8.162 -5.750 1.00 1.23 C ATOM 0 H VAL A 32 7.169 10.843 -4.449 1.00 0.76 H new ATOM 0 HA VAL A 32 10.030 10.764 -5.007 1.00 0.87 H new ATOM 0 HB VAL A 32 8.894 8.775 -4.012 1.00 1.04 H new ATOM 0 HG11 VAL A 32 7.379 7.418 -5.400 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.702 9.029 -5.058 1.00 1.07 H new ATOM 0 HG13 VAL A 32 7.407 8.680 -6.655 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.818 7.098 -5.564 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.955 8.348 -6.824 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.926 8.472 -5.338 1.00 1.23 H new ATOM 368 N GLN A 33 7.815 11.405 -7.225 1.00 0.90 N ATOM 369 CA GLN A 33 7.558 11.719 -8.632 1.00 1.04 C ATOM 370 C GLN A 33 8.835 12.122 -9.374 1.00 1.07 C ATOM 371 O GLN A 33 9.179 11.521 -10.392 1.00 1.22 O ATOM 372 CB GLN A 33 6.518 12.834 -8.746 1.00 1.22 C ATOM 373 CG GLN A 33 5.551 12.644 -9.904 1.00 1.37 C ATOM 374 CD GLN A 33 4.479 11.615 -9.604 1.00 1.19 C ATOM 375 OE1 GLN A 33 3.383 11.955 -9.159 1.00 1.67 O ATOM 376 NE2 GLN A 33 4.791 10.347 -9.845 1.00 1.88 N ATOM 0 H GLN A 33 7.097 11.744 -6.584 1.00 0.90 H new ATOM 0 HA GLN A 33 7.174 10.812 -9.100 1.00 1.04 H new ATOM 0 HB2 GLN A 33 5.952 12.889 -7.816 1.00 1.22 H new ATOM 0 HB3 GLN A 33 7.031 13.788 -8.864 1.00 1.22 H new ATOM 0 HG2 GLN A 33 5.079 13.598 -10.139 1.00 1.37 H new ATOM 0 HG3 GLN A 33 6.107 12.337 -10.790 1.00 1.37 H new ATOM 0 HE21 GLN A 33 5.712 10.110 -10.214 1.00 1.88 H new ATOM 0 HE22 GLN A 33 4.110 9.610 -9.661 1.00 1.88 H new ATOM 383 N PRO A 34 9.559 13.147 -8.884 1.00 1.04 N ATOM 384 CA PRO A 34 10.794 13.618 -9.514 1.00 1.23 C ATOM 385 C PRO A 34 11.703 12.469 -9.945 1.00 1.50 C ATOM 386 O PRO A 34 12.126 12.400 -11.100 1.00 1.84 O ATOM 387 CB PRO A 34 11.472 14.463 -8.421 1.00 1.29 C ATOM 388 CG PRO A 34 10.607 14.339 -7.204 1.00 1.15 C ATOM 389 CD PRO A 34 9.245 13.933 -7.686 1.00 0.96 C ATOM 0 HA PRO A 34 10.589 14.177 -10.427 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.481 14.103 -8.220 1.00 1.29 H new ATOM 0 HB3 PRO A 34 11.561 15.504 -8.732 1.00 1.29 H new ATOM 0 HG2 PRO A 34 11.011 13.597 -6.515 1.00 1.15 H new ATOM 0 HG3 PRO A 34 10.561 15.284 -6.663 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.709 13.344 -6.942 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.622 14.796 -7.918 1.00 0.96 H new ATOM 397 N GLU A 35 11.996 11.566 -9.015 1.00 1.43 N ATOM 398 CA GLU A 35 12.851 10.419 -9.306 1.00 1.69 C ATOM 399 C GLU A 35 12.083 9.112 -9.128 1.00 1.95 C ATOM 400 O GLU A 35 12.600 8.147 -8.564 1.00 2.55 O ATOM 401 CB GLU A 35 14.084 10.428 -8.400 1.00 1.58 C ATOM 402 CG GLU A 35 15.158 9.440 -8.826 1.00 2.20 C ATOM 403 CD GLU A 35 16.237 10.083 -9.677 1.00 2.95 C ATOM 404 OE1 GLU A 35 17.091 10.798 -9.112 1.00 3.53 O ATOM 405 OE2 GLU A 35 16.228 9.870 -10.907 1.00 3.47 O ATOM 0 H GLU A 35 11.655 11.605 -8.055 1.00 1.43 H new ATOM 0 HA GLU A 35 13.175 10.493 -10.344 1.00 1.69 H new ATOM 0 HB2 GLU A 35 14.509 11.432 -8.388 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.777 10.200 -7.379 1.00 1.58 H new ATOM 0 HG2 GLU A 35 15.614 9.000 -7.939 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.697 8.626 -9.385 1.00 2.20 H new ATOM 412 N GLY A 36 10.845 9.090 -9.611 1.00 1.77 N ATOM 413 CA GLY A 36 10.024 7.899 -9.495 1.00 2.19 C ATOM 414 C GLY A 36 10.260 6.917 -10.626 1.00 1.74 C ATOM 415 O GLY A 36 9.985 7.218 -11.787 1.00 1.77 O ATOM 0 H GLY A 36 10.396 9.876 -10.081 1.00 1.77 H new ATOM 0 HA2 GLY A 36 10.233 7.409 -8.544 1.00 2.19 H new ATOM 0 HA3 GLY A 36 8.973 8.187 -9.482 1.00 2.19 H new ATOM 419 N ASN A 37 10.770 5.737 -10.286 1.00 2.06 N ATOM 420 CA ASN A 37 11.041 4.705 -11.279 1.00 2.08 C ATOM 421 C ASN A 37 9.755 3.992 -11.687 1.00 1.73 C ATOM 422 O ASN A 37 8.672 4.324 -11.206 1.00 1.94 O ATOM 423 CB ASN A 37 12.051 3.693 -10.733 1.00 3.12 C ATOM 424 CG ASN A 37 13.051 3.251 -11.783 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.678 2.895 -12.902 1.00 4.50 O ATOM 426 ND2 ASN A 37 14.330 3.270 -11.428 1.00 4.34 N ATOM 0 H ASN A 37 11.004 5.472 -9.329 1.00 2.06 H new ATOM 0 HA ASN A 37 11.463 5.186 -12.161 1.00 2.08 H new ATOM 0 HB2 ASN A 37 12.584 4.134 -9.890 1.00 3.12 H new ATOM 0 HB3 ASN A 37 11.518 2.821 -10.353 1.00 3.12 H new ATOM 0 HD21 ASN A 37 15.048 2.982 -12.093 1.00 4.34 H new ATOM 0 HD22 ASN A 37 14.595 3.572 -10.490 1.00 4.34 H new ATOM 431 N GLU A 38 9.884 3.013 -12.576 1.00 1.77 N ATOM 432 CA GLU A 38 8.731 2.254 -13.050 1.00 1.76 C ATOM 433 C GLU A 38 8.166 1.370 -11.943 1.00 1.90 C ATOM 434 O GLU A 38 8.868 0.521 -11.396 1.00 2.28 O ATOM 435 CB GLU A 38 9.120 1.395 -14.255 1.00 2.18 C ATOM 436 CG GLU A 38 9.734 2.189 -15.396 1.00 2.12 C ATOM 437 CD GLU A 38 10.219 1.304 -16.527 1.00 2.42 C ATOM 438 OE1 GLU A 38 9.468 0.394 -16.933 1.00 2.81 O ATOM 439 OE2 GLU A 38 11.352 1.522 -17.006 1.00 2.88 O ATOM 0 H GLU A 38 10.774 2.726 -12.983 1.00 1.77 H new ATOM 0 HA GLU A 38 7.961 2.964 -13.351 1.00 1.76 H new ATOM 0 HB2 GLU A 38 9.828 0.631 -13.933 1.00 2.18 H new ATOM 0 HB3 GLU A 38 8.235 0.875 -14.621 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.997 2.894 -15.781 1.00 2.12 H new ATOM 0 HG3 GLU A 38 10.569 2.777 -15.016 1.00 2.12 H new ATOM 446 N VAL A 39 6.892 1.575 -11.619 1.00 1.79 N ATOM 447 CA VAL A 39 6.231 0.792 -10.577 1.00 2.04 C ATOM 448 C VAL A 39 4.714 0.950 -10.646 1.00 1.58 C ATOM 449 O VAL A 39 4.205 1.938 -11.175 1.00 1.86 O ATOM 450 CB VAL A 39 6.707 1.195 -9.166 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.023 0.514 -8.829 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.836 2.706 -9.054 1.00 3.20 C ATOM 0 H VAL A 39 6.297 2.275 -12.062 1.00 1.79 H new ATOM 0 HA VAL A 39 6.500 -0.249 -10.758 1.00 2.04 H new ATOM 0 HB VAL A 39 5.959 0.864 -8.445 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.341 0.812 -7.830 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.892 -0.568 -8.861 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.781 0.809 -9.554 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.173 2.969 -8.051 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.560 3.065 -9.786 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.868 3.169 -9.245 1.00 3.20 H new ATOM 456 N GLU A 40 4.000 -0.032 -10.104 1.00 1.19 N ATOM 457 CA GLU A 40 2.541 -0.006 -10.098 1.00 0.87 C ATOM 458 C GLU A 40 1.990 -0.539 -8.776 1.00 0.72 C ATOM 459 O GLU A 40 2.083 -1.733 -8.486 1.00 0.71 O ATOM 460 CB GLU A 40 1.987 -0.825 -11.265 1.00 0.85 C ATOM 461 CG GLU A 40 2.388 -2.290 -11.228 1.00 0.98 C ATOM 462 CD GLU A 40 1.195 -3.222 -11.131 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.154 -2.918 -11.752 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.300 -4.253 -10.436 1.00 2.29 O ATOM 0 H GLU A 40 4.408 -0.856 -9.663 1.00 1.19 H new ATOM 0 HA GLU A 40 2.223 1.030 -10.211 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.899 -0.755 -11.262 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.332 -0.387 -12.201 1.00 0.85 H new ATOM 0 HG2 GLU A 40 2.958 -2.529 -12.126 1.00 0.98 H new ATOM 0 HG3 GLU A 40 3.047 -2.461 -10.377 1.00 0.98 H new ATOM 471 N MET A 41 1.419 0.359 -7.980 1.00 0.77 N ATOM 472 CA MET A 41 0.851 -0.009 -6.687 1.00 0.73 C ATOM 473 C MET A 41 -0.673 -0.029 -6.741 1.00 0.68 C ATOM 474 O MET A 41 -1.281 0.579 -7.622 1.00 0.72 O ATOM 475 CB MET A 41 1.310 0.973 -5.606 1.00 0.88 C ATOM 476 CG MET A 41 2.792 0.883 -5.286 1.00 1.06 C ATOM 477 SD MET A 41 3.431 2.387 -4.523 1.00 1.42 S ATOM 478 CE MET A 41 4.529 1.703 -3.284 1.00 1.11 C ATOM 0 H MET A 41 1.337 1.350 -8.208 1.00 0.77 H new ATOM 0 HA MET A 41 1.204 -1.011 -6.442 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.078 1.988 -5.928 1.00 0.88 H new ATOM 0 HB3 MET A 41 0.739 0.790 -4.696 1.00 0.88 H new ATOM 0 HG2 MET A 41 2.965 0.040 -4.618 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.346 0.682 -6.203 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.806 2.482 -2.573 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.024 0.894 -2.757 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.427 1.317 -3.767 1.00 1.11 H new ATOM 488 N THR A 42 -1.283 -0.723 -5.786 1.00 0.81 N ATOM 489 CA THR A 42 -2.738 -0.813 -5.716 1.00 0.79 C ATOM 490 C THR A 42 -3.196 -1.042 -4.278 1.00 0.77 C ATOM 491 O THR A 42 -3.506 -2.166 -3.885 1.00 1.11 O ATOM 492 CB THR A 42 -3.246 -1.941 -6.614 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.327 -2.201 -7.660 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.589 -1.647 -7.244 1.00 1.61 C ATOM 0 H THR A 42 -0.793 -1.231 -5.050 1.00 0.81 H new ATOM 0 HA THR A 42 -3.155 0.131 -6.066 1.00 0.79 H new ATOM 0 HB THR A 42 -3.353 -2.805 -5.959 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.551 -2.680 -7.302 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.890 -2.488 -7.868 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.332 -1.492 -6.462 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.515 -0.749 -7.857 1.00 1.61 H new ATOM 499 N VAL A 43 -3.230 0.031 -3.494 1.00 0.65 N ATOM 500 CA VAL A 43 -3.642 -0.054 -2.097 1.00 0.64 C ATOM 501 C VAL A 43 -5.159 -0.162 -1.967 1.00 0.58 C ATOM 502 O VAL A 43 -5.905 0.504 -2.687 1.00 0.71 O ATOM 503 CB VAL A 43 -3.151 1.164 -1.291 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.764 2.449 -1.828 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.465 0.991 0.187 1.00 1.51 C ATOM 0 H VAL A 43 -2.977 0.970 -3.802 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.186 -0.957 -1.692 1.00 0.64 H new ATOM 0 HB VAL A 43 -2.069 1.234 -1.403 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.403 3.296 -1.244 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -3.478 2.580 -2.872 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -4.850 2.393 -1.753 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -3.110 1.862 0.739 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -4.542 0.891 0.321 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -2.968 0.096 0.562 1.00 1.51 H new ATOM 509 N ARG A 44 -5.609 -1.004 -1.039 1.00 0.55 N ATOM 510 CA ARG A 44 -7.037 -1.195 -0.809 1.00 0.54 C ATOM 511 C ARG A 44 -7.391 -0.972 0.658 1.00 0.57 C ATOM 512 O ARG A 44 -6.750 -1.524 1.559 1.00 0.69 O ATOM 513 CB ARG A 44 -7.469 -2.598 -1.242 1.00 0.61 C ATOM 514 CG ARG A 44 -7.109 -2.926 -2.681 1.00 1.19 C ATOM 515 CD ARG A 44 -8.185 -3.769 -3.346 1.00 1.98 C ATOM 516 NE ARG A 44 -9.479 -3.091 -3.366 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.505 -3.473 -4.122 1.00 3.13 C ATOM 518 NH1 ARG A 44 -10.393 -4.526 -4.922 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.648 -2.801 -4.079 1.00 3.77 N ATOM 0 H ARG A 44 -5.006 -1.563 -0.436 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.572 -0.459 -1.409 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.005 -3.332 -0.583 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.547 -2.693 -1.115 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -6.971 -2.002 -3.242 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -6.159 -3.460 -2.707 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -7.883 -4.003 -4.367 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -8.281 -4.717 -2.817 1.00 1.98 H new ATOM 0 HE ARG A 44 -9.603 -2.276 -2.765 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -9.517 -5.047 -4.960 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -11.183 -4.814 -5.499 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -11.741 -1.991 -3.466 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.434 -3.094 -4.659 1.00 3.77 H new ATOM 533 N ILE A 45 -8.417 -0.158 0.887 1.00 0.55 N ATOM 534 CA ILE A 45 -8.872 0.149 2.238 1.00 0.61 C ATOM 535 C ILE A 45 -10.254 -0.441 2.489 1.00 0.59 C ATOM 536 O ILE A 45 -11.189 -0.198 1.726 1.00 0.60 O ATOM 537 CB ILE A 45 -8.933 1.672 2.491 1.00 0.71 C ATOM 538 CG1 ILE A 45 -7.949 2.417 1.583 1.00 0.59 C ATOM 539 CG2 ILE A 45 -8.644 1.977 3.953 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.496 2.136 1.900 1.00 0.63 C ATOM 0 H ILE A 45 -8.951 0.303 0.150 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.147 -0.294 2.921 1.00 0.61 H new ATOM 0 HB ILE A 45 -9.939 2.017 2.255 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.145 2.142 0.547 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.130 3.489 1.668 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.690 3.054 4.116 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.385 1.483 4.581 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -7.649 1.614 4.211 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -5.859 2.698 1.217 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.282 2.437 2.926 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.298 1.070 1.786 1.00 0.63 H new ATOM 544 N VAL A 46 -10.380 -1.217 3.559 1.00 0.63 N ATOM 545 CA VAL A 46 -11.653 -1.836 3.899 1.00 0.63 C ATOM 546 C VAL A 46 -11.561 -2.612 5.209 1.00 0.64 C ATOM 547 O VAL A 46 -10.467 -2.930 5.676 1.00 0.68 O ATOM 548 CB VAL A 46 -12.129 -2.782 2.776 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.238 -4.012 2.685 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.581 -3.178 2.990 1.00 1.52 C ATOM 0 H VAL A 46 -9.619 -1.431 4.203 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.378 -1.030 4.017 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.057 -2.248 1.829 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.595 -4.662 1.886 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.214 -3.705 2.472 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.265 -4.552 3.631 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.898 -3.845 2.188 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.682 -3.689 3.948 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.206 -2.285 2.988 1.00 1.52 H new ATOM 554 N ASP A 47 -12.714 -2.913 5.796 1.00 0.66 N ATOM 555 CA ASP A 47 -12.765 -3.654 7.051 1.00 0.71 C ATOM 556 C ASP A 47 -12.041 -4.992 6.921 1.00 0.74 C ATOM 557 O ASP A 47 -11.314 -5.224 5.956 1.00 0.81 O ATOM 558 CB ASP A 47 -14.220 -3.878 7.473 1.00 0.75 C ATOM 559 CG ASP A 47 -14.556 -3.184 8.779 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.441 -1.942 8.839 1.00 1.88 O ATOM 561 OD2 ASP A 47 -14.934 -3.884 9.742 1.00 2.11 O ATOM 0 H ASP A 47 -13.627 -2.655 5.422 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.261 -3.066 7.817 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.883 -3.512 6.689 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.406 -4.947 7.575 1.00 0.75 H new ATOM 566 N GLU A 48 -12.238 -5.868 7.900 1.00 0.76 N ATOM 567 CA GLU A 48 -11.595 -7.176 7.891 1.00 0.82 C ATOM 568 C GLU A 48 -12.467 -8.218 7.192 1.00 0.79 C ATOM 569 O GLU A 48 -11.988 -8.981 6.354 1.00 0.83 O ATOM 570 CB GLU A 48 -11.278 -7.621 9.324 1.00 0.92 C ATOM 571 CG GLU A 48 -12.495 -8.072 10.116 1.00 1.39 C ATOM 572 CD GLU A 48 -12.212 -8.189 11.601 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.270 -7.524 12.080 1.00 1.81 O ATOM 574 OE2 GLU A 48 -12.934 -8.945 12.285 1.00 2.30 O ATOM 0 H GLU A 48 -12.836 -5.696 8.708 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.663 -7.090 7.332 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -10.557 -8.438 9.289 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.799 -6.796 9.852 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -13.309 -7.364 9.959 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -12.834 -9.036 9.737 1.00 1.39 H new ATOM 581 N ALA A 49 -13.747 -8.248 7.544 1.00 0.86 N ATOM 582 CA ALA A 49 -14.681 -9.202 6.958 1.00 0.89 C ATOM 583 C ALA A 49 -14.758 -9.063 5.440 1.00 0.83 C ATOM 584 O ALA A 49 -14.553 -10.029 4.709 1.00 0.80 O ATOM 585 CB ALA A 49 -16.062 -9.029 7.573 1.00 0.99 C ATOM 0 H ALA A 49 -14.162 -7.622 8.234 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.311 -10.203 7.178 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.751 -9.747 7.128 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.005 -9.199 8.648 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.420 -8.017 7.384 1.00 0.99 H new ATOM 591 N GLU A 50 -15.070 -7.858 4.979 1.00 0.87 N ATOM 592 CA GLU A 50 -15.194 -7.587 3.547 1.00 0.88 C ATOM 593 C GLU A 50 -13.995 -8.115 2.760 1.00 0.84 C ATOM 594 O GLU A 50 -14.139 -8.988 1.904 1.00 0.85 O ATOM 595 CB GLU A 50 -15.347 -6.084 3.307 1.00 0.98 C ATOM 596 CG GLU A 50 -16.059 -5.746 2.006 1.00 1.52 C ATOM 597 CD GLU A 50 -17.297 -4.896 2.220 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.188 -3.844 2.886 1.00 1.85 O ATOM 599 OE2 GLU A 50 -18.375 -5.282 1.723 1.00 2.17 O ATOM 0 H GLU A 50 -15.243 -7.049 5.576 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.083 -8.109 3.192 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.899 -5.646 4.138 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.359 -5.623 3.302 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.370 -5.218 1.346 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.340 -6.670 1.500 1.00 1.52 H new ATOM 606 N SER A 51 -12.815 -7.577 3.050 1.00 0.87 N ATOM 607 CA SER A 51 -11.597 -7.994 2.362 1.00 0.92 C ATOM 608 C SER A 51 -11.351 -9.488 2.541 1.00 0.84 C ATOM 609 O SER A 51 -11.221 -10.232 1.564 1.00 0.83 O ATOM 610 CB SER A 51 -10.396 -7.204 2.883 1.00 1.04 C ATOM 611 OG SER A 51 -10.559 -6.870 4.250 1.00 1.90 O ATOM 0 H SER A 51 -12.676 -6.853 3.755 1.00 0.87 H new ATOM 0 HA SER A 51 -11.726 -7.791 1.299 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.487 -7.792 2.755 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.273 -6.294 2.295 1.00 1.04 H new ATOM 0 HG SER A 51 -9.862 -6.235 4.517 1.00 1.90 H new ATOM 617 N HIS A 52 -11.287 -9.922 3.796 1.00 0.86 N ATOM 618 CA HIS A 52 -11.055 -11.326 4.111 1.00 0.86 C ATOM 619 C HIS A 52 -12.099 -12.215 3.448 1.00 0.83 C ATOM 620 O HIS A 52 -11.844 -13.385 3.173 1.00 0.90 O ATOM 621 CB HIS A 52 -11.058 -11.532 5.622 1.00 0.94 C ATOM 622 CG HIS A 52 -9.971 -10.771 6.309 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.088 -10.272 7.585 1.00 1.39 N ATOM 624 CD2 HIS A 52 -8.738 -10.414 5.878 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.976 -9.639 7.911 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.137 -9.710 6.890 1.00 1.39 N ATOM 0 H HIS A 52 -11.393 -9.320 4.612 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.078 -11.608 3.719 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.023 -11.223 6.025 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.946 -12.594 5.840 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -8.307 -10.642 4.914 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -8.784 -9.146 8.853 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -7.200 -9.308 6.861 1.00 1.39 H new ATOM 635 N GLU A 53 -13.265 -11.647 3.169 1.00 0.86 N ATOM 636 CA GLU A 53 -14.326 -12.393 2.509 1.00 0.95 C ATOM 637 C GLU A 53 -14.100 -12.381 1.003 1.00 0.94 C ATOM 638 O GLU A 53 -14.389 -13.355 0.311 1.00 0.95 O ATOM 639 CB GLU A 53 -15.694 -11.794 2.841 1.00 1.10 C ATOM 640 CG GLU A 53 -16.268 -12.278 4.164 1.00 1.68 C ATOM 641 CD GLU A 53 -17.689 -12.790 4.032 1.00 2.38 C ATOM 642 OE1 GLU A 53 -17.884 -13.841 3.386 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.608 -12.139 4.574 1.00 2.71 O ATOM 0 H GLU A 53 -13.498 -10.679 3.388 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.307 -13.422 2.868 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.608 -10.708 2.868 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.392 -12.039 2.041 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.635 -13.072 4.561 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.246 -11.461 4.886 1.00 1.68 H new ATOM 650 N LEU A 54 -13.570 -11.265 0.509 1.00 0.95 N ATOM 651 CA LEU A 54 -13.292 -11.107 -0.912 1.00 1.00 C ATOM 652 C LEU A 54 -12.132 -11.992 -1.350 1.00 0.89 C ATOM 653 O LEU A 54 -12.278 -12.837 -2.232 1.00 0.93 O ATOM 654 CB LEU A 54 -12.962 -9.648 -1.224 1.00 1.06 C ATOM 655 CG LEU A 54 -12.527 -9.374 -2.667 1.00 1.15 C ATOM 656 CD1 LEU A 54 -13.454 -10.066 -3.655 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.496 -7.883 -2.933 1.00 1.24 C ATOM 0 H LEU A 54 -13.324 -10.454 1.077 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.184 -11.408 -1.461 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.838 -9.038 -1.003 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.168 -9.320 -0.553 1.00 1.06 H new ATOM 0 HG LEU A 54 -11.523 -9.777 -2.802 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.124 -9.856 -4.672 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -13.433 -11.142 -3.482 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -14.471 -9.697 -3.520 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.185 -7.703 -3.962 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.490 -7.465 -2.776 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -11.790 -7.407 -2.253 1.00 1.24 H new ATOM 663 N ASN A 55 -10.973 -11.789 -0.734 1.00 0.78 N ATOM 664 CA ASN A 55 -9.791 -12.570 -1.070 1.00 0.71 C ATOM 665 C ASN A 55 -10.094 -14.059 -0.967 1.00 0.69 C ATOM 666 O ASN A 55 -9.758 -14.839 -1.861 1.00 0.74 O ATOM 667 CB ASN A 55 -8.629 -12.194 -0.152 1.00 0.68 C ATOM 668 CG ASN A 55 -8.987 -12.325 1.314 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.152 -12.487 1.663 1.00 2.28 O ATOM 670 ND2 ASN A 55 -7.983 -12.254 2.182 1.00 1.42 N ATOM 0 H ASN A 55 -10.828 -11.093 -0.003 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.505 -12.347 -2.098 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -7.773 -12.832 -0.373 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.323 -11.168 -0.359 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.167 -12.335 3.182 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.029 -12.119 1.848 1.00 1.42 H new ATOM 675 N LEU A 56 -10.746 -14.447 0.124 1.00 0.71 N ATOM 676 CA LEU A 56 -11.108 -15.840 0.333 1.00 0.79 C ATOM 677 C LEU A 56 -12.229 -16.252 -0.613 1.00 0.87 C ATOM 678 O LEU A 56 -12.386 -17.431 -0.929 1.00 0.97 O ATOM 679 CB LEU A 56 -11.537 -16.077 1.782 1.00 0.84 C ATOM 680 CG LEU A 56 -10.397 -16.351 2.765 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.479 -15.143 2.877 1.00 0.91 C ATOM 682 CD2 LEU A 56 -10.954 -16.726 4.130 1.00 0.92 C ATOM 0 H LEU A 56 -11.033 -13.817 0.873 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.229 -16.450 0.124 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.090 -15.204 2.127 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.226 -16.921 1.806 1.00 0.84 H new ATOM 0 HG LEU A 56 -9.811 -17.189 2.386 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.676 -15.360 3.581 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.053 -14.918 1.899 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.049 -14.284 3.231 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.131 -16.918 4.819 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.563 -15.907 4.512 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.567 -17.622 4.039 1.00 0.92 H new ATOM 688 N THR A 57 -13.009 -15.273 -1.064 1.00 0.93 N ATOM 689 CA THR A 57 -14.113 -15.542 -1.972 1.00 1.09 C ATOM 690 C THR A 57 -13.604 -16.108 -3.297 1.00 1.14 C ATOM 691 O THR A 57 -14.302 -16.878 -3.956 1.00 1.27 O ATOM 692 CB THR A 57 -14.939 -14.262 -2.210 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.007 -14.183 -1.284 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.542 -14.163 -3.597 1.00 1.45 C ATOM 0 H THR A 57 -12.895 -14.290 -0.815 1.00 0.93 H new ATOM 0 HA THR A 57 -14.758 -16.290 -1.511 1.00 1.09 H new ATOM 0 HB THR A 57 -14.228 -13.445 -2.087 1.00 1.23 H new ATOM 0 HG1 THR A 57 -15.647 -14.114 -0.375 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.107 -13.235 -3.683 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.746 -14.173 -4.341 1.00 1.45 H new ATOM 0 HG23 THR A 57 -16.208 -15.010 -3.766 1.00 1.45 H new ATOM 699 N TYR A 58 -12.397 -15.712 -3.697 1.00 1.08 N ATOM 700 CA TYR A 58 -11.838 -16.180 -4.961 1.00 1.17 C ATOM 701 C TYR A 58 -10.588 -17.051 -4.789 1.00 1.08 C ATOM 702 O TYR A 58 -10.220 -17.776 -5.713 1.00 1.19 O ATOM 703 CB TYR A 58 -11.533 -14.993 -5.881 1.00 1.25 C ATOM 704 CG TYR A 58 -10.258 -14.252 -5.545 1.00 1.20 C ATOM 705 CD1 TYR A 58 -9.022 -14.734 -5.956 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.291 -13.064 -4.826 1.00 1.25 C ATOM 707 CE1 TYR A 58 -7.855 -14.056 -5.657 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.130 -12.380 -4.522 1.00 1.55 C ATOM 709 CZ TYR A 58 -7.915 -12.879 -4.941 1.00 2.11 C ATOM 710 OH TYR A 58 -6.757 -12.200 -4.643 1.00 2.74 O ATOM 0 H TYR A 58 -11.796 -15.077 -3.172 1.00 1.08 H new ATOM 0 HA TYR A 58 -12.598 -16.815 -5.416 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -11.470 -15.352 -6.908 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -12.367 -14.293 -5.839 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -8.972 -15.654 -6.519 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.241 -12.668 -4.499 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -6.902 -14.446 -5.982 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -9.174 -11.459 -3.959 1.00 1.55 H new ATOM 0 HH TYR A 58 -6.974 -11.391 -4.135 1.00 2.74 H new ATOM 720 N ARG A 59 -9.914 -16.981 -3.637 1.00 0.99 N ATOM 721 CA ARG A 59 -8.700 -17.785 -3.457 1.00 0.99 C ATOM 722 C ARG A 59 -8.477 -18.253 -2.017 1.00 0.90 C ATOM 723 O ARG A 59 -7.377 -18.688 -1.677 1.00 0.97 O ATOM 724 CB ARG A 59 -7.478 -16.997 -3.936 1.00 1.05 C ATOM 725 CG ARG A 59 -7.040 -15.896 -2.979 1.00 1.58 C ATOM 726 CD ARG A 59 -5.699 -16.214 -2.339 1.00 1.65 C ATOM 727 NE ARG A 59 -4.590 -16.047 -3.277 1.00 2.22 N ATOM 728 CZ ARG A 59 -3.342 -16.432 -3.024 1.00 2.71 C ATOM 729 NH1 ARG A 59 -3.038 -17.006 -1.866 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.393 -16.244 -3.932 1.00 3.32 N ATOM 0 H ARG A 59 -10.175 -16.399 -2.841 1.00 0.99 H new ATOM 0 HA ARG A 59 -8.838 -18.684 -4.057 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -6.648 -17.688 -4.084 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -7.701 -16.554 -4.907 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.972 -14.951 -3.517 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -7.794 -15.767 -2.202 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -5.546 -15.564 -1.477 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -5.709 -17.239 -1.968 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.785 -15.610 -4.178 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -3.763 -17.154 -1.164 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -2.079 -17.299 -1.678 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.620 -15.804 -4.824 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -1.436 -16.539 -3.738 1.00 3.32 H new ATOM 744 N GLY A 60 -9.503 -18.176 -1.173 1.00 0.81 N ATOM 745 CA GLY A 60 -9.351 -18.612 0.212 1.00 0.80 C ATOM 746 C GLY A 60 -8.047 -18.131 0.833 1.00 0.78 C ATOM 747 O GLY A 60 -7.295 -18.920 1.407 1.00 0.88 O ATOM 0 H GLY A 60 -10.429 -17.824 -1.416 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.189 -18.240 0.801 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.390 -19.701 0.254 1.00 0.80 H new ATOM 751 N LYS A 61 -7.775 -16.837 0.694 1.00 0.76 N ATOM 752 CA LYS A 61 -6.552 -16.232 1.215 1.00 0.90 C ATOM 753 C LYS A 61 -6.352 -16.513 2.704 1.00 0.95 C ATOM 754 O LYS A 61 -6.995 -17.390 3.282 1.00 1.42 O ATOM 755 CB LYS A 61 -6.570 -14.726 0.964 1.00 1.17 C ATOM 756 CG LYS A 61 -5.224 -14.163 0.536 1.00 1.31 C ATOM 757 CD LYS A 61 -5.358 -13.225 -0.653 1.00 1.00 C ATOM 758 CE LYS A 61 -4.056 -13.126 -1.432 1.00 1.42 C ATOM 759 NZ LYS A 61 -4.225 -12.368 -2.702 1.00 2.13 N ATOM 0 H LYS A 61 -8.393 -16.180 0.219 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.714 -16.685 0.686 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.309 -14.503 0.194 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.894 -14.219 1.873 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.771 -13.629 1.371 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.552 -14.982 0.279 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -6.151 -13.580 -1.311 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.652 -12.235 -0.306 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.301 -12.638 -0.816 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.688 -14.128 -1.653 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -3.290 -12.132 -3.093 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -4.750 -12.950 -3.386 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -4.753 -11.492 -2.516 1.00 2.13 H new ATOM 773 N ASP A 62 -5.432 -15.764 3.308 1.00 1.17 N ATOM 774 CA ASP A 62 -5.098 -15.913 4.721 1.00 1.25 C ATOM 775 C ASP A 62 -6.325 -15.824 5.628 1.00 1.66 C ATOM 776 O ASP A 62 -7.466 -15.884 5.170 1.00 2.50 O ATOM 777 CB ASP A 62 -4.074 -14.848 5.125 1.00 1.84 C ATOM 778 CG ASP A 62 -2.970 -15.409 6.002 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.445 -16.493 5.673 1.00 3.06 O ATOM 780 OD2 ASP A 62 -2.633 -14.764 7.016 1.00 2.95 O ATOM 0 H ASP A 62 -4.898 -15.037 2.831 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.675 -16.909 4.850 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.635 -14.411 4.228 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.582 -14.043 5.656 1.00 1.84 H new ATOM 785 N ARG A 63 -6.063 -15.679 6.925 1.00 1.71 N ATOM 786 CA ARG A 63 -7.108 -15.576 7.937 1.00 2.49 C ATOM 787 C ARG A 63 -7.289 -14.113 8.333 1.00 2.22 C ATOM 788 O ARG A 63 -6.546 -13.263 7.855 1.00 1.77 O ATOM 789 CB ARG A 63 -6.708 -16.420 9.153 1.00 3.33 C ATOM 790 CG ARG A 63 -7.082 -17.890 9.028 1.00 4.23 C ATOM 791 CD ARG A 63 -8.587 -18.087 8.937 1.00 4.88 C ATOM 792 NE ARG A 63 -9.148 -18.592 10.188 1.00 5.84 N ATOM 793 CZ ARG A 63 -10.443 -18.545 10.493 1.00 6.66 C ATOM 794 NH1 ARG A 63 -11.314 -18.012 9.644 1.00 6.76 N ATOM 795 NH2 ARG A 63 -10.870 -19.032 11.650 1.00 7.66 N ATOM 0 H ARG A 63 -5.117 -15.630 7.303 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.054 -15.947 7.542 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -5.631 -16.340 9.301 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.184 -16.008 10.043 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -6.607 -18.311 8.142 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -6.696 -18.437 9.888 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -9.062 -17.140 8.683 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -8.814 -18.784 8.130 1.00 4.88 H new ATOM 0 HE ARG A 63 -8.510 -19.005 10.868 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -10.992 -17.636 8.752 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -12.305 -17.979 9.884 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -10.206 -19.443 12.307 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -11.862 -18.996 11.883 1.00 7.66 H new ATOM 809 N PRO A 64 -8.267 -13.785 9.209 1.00 3.04 N ATOM 810 CA PRO A 64 -8.514 -12.408 9.656 1.00 3.30 C ATOM 811 C PRO A 64 -7.223 -11.618 9.864 1.00 2.79 C ATOM 812 O PRO A 64 -6.724 -11.496 10.982 1.00 3.00 O ATOM 813 CB PRO A 64 -9.261 -12.591 10.989 1.00 4.45 C ATOM 814 CG PRO A 64 -9.348 -14.072 11.206 1.00 4.81 C ATOM 815 CD PRO A 64 -9.213 -14.698 9.850 1.00 4.12 C ATOM 0 HA PRO A 64 -9.074 -11.836 8.916 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.727 -12.106 11.807 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -10.254 -12.143 10.946 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -8.558 -14.415 11.874 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.297 -14.343 11.668 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.830 -15.717 9.903 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.165 -14.743 9.321 1.00 4.12 H new ATOM 823 N THR A 65 -6.685 -11.103 8.765 1.00 2.27 N ATOM 824 CA THR A 65 -5.442 -10.341 8.789 1.00 2.01 C ATOM 825 C THR A 65 -5.689 -8.856 9.034 1.00 1.59 C ATOM 826 O THR A 65 -6.745 -8.323 8.699 1.00 1.81 O ATOM 827 CB THR A 65 -4.699 -10.519 7.462 1.00 2.13 C ATOM 828 OG1 THR A 65 -5.191 -11.640 6.751 1.00 2.47 O ATOM 829 CG2 THR A 65 -3.211 -10.707 7.634 1.00 2.82 C ATOM 0 H THR A 65 -7.095 -11.201 7.836 1.00 2.27 H new ATOM 0 HA THR A 65 -4.839 -10.723 9.613 1.00 2.01 H new ATOM 0 HB THR A 65 -4.875 -9.596 6.910 1.00 2.13 H new ATOM 0 HG1 THR A 65 -5.304 -12.394 7.367 1.00 2.47 H new ATOM 0 HG21 THR A 65 -2.744 -10.827 6.656 1.00 2.82 H new ATOM 0 HG22 THR A 65 -2.789 -9.834 8.133 1.00 2.82 H new ATOM 0 HG23 THR A 65 -3.024 -11.595 8.237 1.00 2.82 H new ATOM 834 N ASN A 66 -4.687 -8.191 9.598 1.00 1.36 N ATOM 835 CA ASN A 66 -4.767 -6.763 9.870 1.00 1.09 C ATOM 836 C ASN A 66 -4.064 -5.982 8.766 1.00 0.83 C ATOM 837 O ASN A 66 -4.413 -4.837 8.477 1.00 1.09 O ATOM 838 CB ASN A 66 -4.134 -6.441 11.224 1.00 1.37 C ATOM 839 CG ASN A 66 -2.723 -6.983 11.347 1.00 1.54 C ATOM 840 OD1 ASN A 66 -2.500 -8.191 11.266 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.761 -6.088 11.542 1.00 1.35 N ATOM 0 H ASN A 66 -3.806 -8.622 9.877 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.817 -6.472 9.899 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -4.119 -5.361 11.367 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -4.751 -6.859 12.019 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -0.792 -6.392 11.631 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.992 -5.096 11.603 1.00 1.35 H new ATOM 846 N VAL A 67 -3.071 -6.617 8.147 1.00 0.71 N ATOM 847 CA VAL A 67 -2.314 -5.996 7.068 1.00 0.79 C ATOM 848 C VAL A 67 -2.138 -6.964 5.902 1.00 0.79 C ATOM 849 O VAL A 67 -1.018 -7.303 5.519 1.00 0.81 O ATOM 850 CB VAL A 67 -0.929 -5.525 7.551 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.218 -4.744 6.457 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.060 -4.689 8.816 1.00 1.51 C ATOM 0 H VAL A 67 -2.773 -7.565 8.377 1.00 0.71 H new ATOM 0 HA VAL A 67 -2.883 -5.128 6.735 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.328 -6.404 7.785 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.758 -4.420 6.817 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.089 -5.380 5.581 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -0.813 -3.872 6.187 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.072 -4.365 9.142 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -1.679 -3.815 8.612 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.523 -5.287 9.601 1.00 1.51 H new ATOM 856 N LEU A 68 -3.259 -7.403 5.342 1.00 0.86 N ATOM 857 CA LEU A 68 -3.252 -8.329 4.217 1.00 0.89 C ATOM 858 C LEU A 68 -2.992 -7.573 2.915 1.00 0.81 C ATOM 859 O LEU A 68 -3.205 -6.363 2.842 1.00 0.75 O ATOM 860 CB LEU A 68 -4.591 -9.078 4.176 1.00 0.99 C ATOM 861 CG LEU A 68 -4.972 -9.737 2.849 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.264 -11.073 2.685 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.480 -9.922 2.783 1.00 1.10 C ATOM 0 H LEU A 68 -4.191 -7.129 5.652 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.450 -9.057 4.338 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.572 -9.850 4.946 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.381 -8.377 4.446 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.656 -9.088 2.032 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.551 -11.522 1.734 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.185 -10.918 2.702 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.548 -11.738 3.501 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.748 -10.392 1.837 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.805 -10.556 3.608 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.969 -8.951 2.857 1.00 1.10 H new ATOM 869 N SER A 69 -2.515 -8.279 1.894 1.00 0.96 N ATOM 870 CA SER A 69 -2.218 -7.645 0.612 1.00 0.97 C ATOM 871 C SER A 69 -2.549 -8.564 -0.559 1.00 0.86 C ATOM 872 O SER A 69 -2.693 -9.774 -0.393 1.00 0.89 O ATOM 873 CB SER A 69 -0.744 -7.243 0.551 1.00 1.18 C ATOM 874 OG SER A 69 -0.283 -6.798 1.815 1.00 1.85 O ATOM 0 H SER A 69 -2.327 -9.281 1.927 1.00 0.96 H new ATOM 0 HA SER A 69 -2.843 -6.756 0.532 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.146 -8.092 0.221 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.610 -6.452 -0.187 1.00 1.18 H new ATOM 0 HG SER A 69 -0.894 -6.116 2.164 1.00 1.85 H new ATOM 880 N PHE A 70 -2.663 -7.973 -1.746 1.00 0.81 N ATOM 881 CA PHE A 70 -2.971 -8.726 -2.955 1.00 0.82 C ATOM 882 C PHE A 70 -1.841 -8.598 -3.977 1.00 0.91 C ATOM 883 O PHE A 70 -1.953 -7.852 -4.953 1.00 1.03 O ATOM 884 CB PHE A 70 -4.289 -8.241 -3.568 1.00 0.89 C ATOM 885 CG PHE A 70 -5.498 -8.477 -2.701 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.475 -9.424 -1.689 1.00 1.81 C ATOM 887 CD2 PHE A 70 -6.659 -7.746 -2.901 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.584 -9.637 -0.896 1.00 2.03 C ATOM 889 CE2 PHE A 70 -7.772 -7.956 -2.108 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.734 -8.902 -1.105 1.00 1.48 C ATOM 0 H PHE A 70 -2.546 -6.971 -1.895 1.00 0.81 H new ATOM 0 HA PHE A 70 -3.074 -9.776 -2.682 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.209 -7.174 -3.777 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.438 -8.743 -4.524 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.579 -10.002 -1.519 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -6.694 -7.004 -3.685 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.552 -10.379 -0.112 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -8.670 -7.380 -2.274 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.602 -9.068 -0.484 1.00 1.48 H new ATOM 900 N PRO A 71 -0.734 -9.328 -3.765 1.00 0.95 N ATOM 901 CA PRO A 71 0.416 -9.301 -4.671 1.00 1.11 C ATOM 902 C PRO A 71 0.175 -10.128 -5.929 1.00 1.11 C ATOM 903 O PRO A 71 -0.416 -11.206 -5.868 1.00 1.14 O ATOM 904 CB PRO A 71 1.531 -9.917 -3.830 1.00 1.18 C ATOM 905 CG PRO A 71 0.830 -10.857 -2.911 1.00 1.13 C ATOM 906 CD PRO A 71 -0.516 -10.243 -2.626 1.00 0.95 C ATOM 0 HA PRO A 71 0.638 -8.296 -5.030 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.256 -10.439 -4.454 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.078 -9.154 -3.276 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.720 -11.840 -3.369 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.397 -10.996 -1.990 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.297 -11.001 -2.567 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.519 -9.708 -1.677 1.00 0.95 H new ATOM 914 N PHE A 72 0.635 -9.622 -7.067 1.00 1.22 N ATOM 915 CA PHE A 72 0.465 -10.324 -8.334 1.00 1.28 C ATOM 916 C PHE A 72 1.160 -11.683 -8.296 1.00 1.36 C ATOM 917 O PHE A 72 1.782 -12.045 -7.296 1.00 1.47 O ATOM 918 CB PHE A 72 1.010 -9.474 -9.491 1.00 1.36 C ATOM 919 CG PHE A 72 2.504 -9.545 -9.662 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.338 -9.692 -8.564 1.00 1.65 C ATOM 921 CD2 PHE A 72 3.074 -9.465 -10.923 1.00 1.38 C ATOM 922 CE1 PHE A 72 4.709 -9.759 -8.721 1.00 1.83 C ATOM 923 CE2 PHE A 72 4.445 -9.531 -11.086 1.00 1.46 C ATOM 924 CZ PHE A 72 5.263 -9.678 -9.983 1.00 1.39 C ATOM 0 H PHE A 72 1.127 -8.731 -7.139 1.00 1.22 H new ATOM 0 HA PHE A 72 -0.600 -10.490 -8.495 1.00 1.28 H new ATOM 0 HB2 PHE A 72 0.534 -9.795 -10.418 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.724 -8.435 -9.329 1.00 1.36 H new ATOM 0 HD1 PHE A 72 2.911 -9.755 -7.574 1.00 1.65 H new ATOM 0 HD2 PHE A 72 2.439 -9.350 -11.789 1.00 1.38 H new ATOM 0 HE1 PHE A 72 5.347 -9.875 -7.857 1.00 1.83 H new ATOM 0 HE2 PHE A 72 4.876 -9.468 -12.074 1.00 1.46 H new ATOM 0 HZ PHE A 72 6.335 -9.730 -10.107 1.00 1.39 H new ATOM 934 N GLU A 73 1.053 -12.432 -9.388 1.00 1.56 N ATOM 935 CA GLU A 73 1.676 -13.748 -9.472 1.00 1.67 C ATOM 936 C GLU A 73 3.194 -13.626 -9.569 1.00 1.31 C ATOM 937 O GLU A 73 3.728 -13.215 -10.599 1.00 1.43 O ATOM 938 CB GLU A 73 1.136 -14.515 -10.682 1.00 2.21 C ATOM 939 CG GLU A 73 1.560 -15.974 -10.715 1.00 2.25 C ATOM 940 CD GLU A 73 1.111 -16.684 -11.977 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.828 -16.596 -12.995 1.00 2.62 O ATOM 942 OE2 GLU A 73 0.041 -17.328 -11.947 1.00 2.89 O ATOM 0 H GLU A 73 0.542 -12.152 -10.225 1.00 1.56 H new ATOM 0 HA GLU A 73 1.431 -14.297 -8.563 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.047 -14.461 -10.679 1.00 2.21 H new ATOM 0 HB3 GLU A 73 1.477 -14.025 -11.594 1.00 2.21 H new ATOM 0 HG2 GLU A 73 2.645 -16.035 -10.635 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.147 -16.488 -9.847 1.00 2.25 H new ATOM 949 N CYS A 74 3.881 -13.985 -8.489 1.00 1.48 N ATOM 950 CA CYS A 74 5.338 -13.915 -8.451 1.00 1.68 C ATOM 951 C CYS A 74 5.956 -15.282 -8.738 1.00 1.76 C ATOM 952 O CYS A 74 5.964 -16.159 -7.873 1.00 2.31 O ATOM 953 CB CYS A 74 5.807 -13.410 -7.085 1.00 2.63 C ATOM 954 SG CYS A 74 7.537 -12.886 -7.046 1.00 3.95 S ATOM 0 H CYS A 74 3.453 -14.327 -7.629 1.00 1.48 H new ATOM 0 HA CYS A 74 5.665 -13.218 -9.223 1.00 1.68 H new ATOM 0 HB2 CYS A 74 5.178 -12.572 -6.784 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.661 -14.200 -6.348 1.00 2.63 H new ATOM 0 HG CYS A 74 7.662 -11.756 -7.676 1.00 3.95 H new ATOM 960 N PRO A 75 6.480 -15.489 -9.959 1.00 1.68 N ATOM 961 CA PRO A 75 7.092 -16.763 -10.345 1.00 2.01 C ATOM 962 C PRO A 75 8.471 -16.967 -9.705 1.00 2.43 C ATOM 963 O PRO A 75 8.563 -17.404 -8.559 1.00 3.08 O ATOM 964 CB PRO A 75 7.183 -16.656 -11.870 1.00 2.13 C ATOM 965 CG PRO A 75 7.304 -15.196 -12.137 1.00 2.21 C ATOM 966 CD PRO A 75 6.512 -14.505 -11.059 1.00 1.89 C ATOM 0 HA PRO A 75 6.515 -17.624 -10.009 1.00 2.01 H new ATOM 0 HB2 PRO A 75 8.044 -17.202 -12.255 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.299 -17.075 -12.350 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.347 -14.882 -12.116 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.916 -14.947 -13.125 1.00 2.21 H new ATOM 0 HD2 PRO A 75 6.986 -13.574 -10.749 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.508 -14.253 -11.400 1.00 1.89 H new ATOM 974 N ASP A 76 9.543 -16.658 -10.439 1.00 2.55 N ATOM 975 CA ASP A 76 10.895 -16.822 -9.917 1.00 3.28 C ATOM 976 C ASP A 76 11.654 -15.496 -9.915 1.00 3.54 C ATOM 977 O ASP A 76 11.764 -14.835 -8.882 1.00 4.33 O ATOM 978 CB ASP A 76 11.656 -17.866 -10.739 1.00 3.70 C ATOM 979 CG ASP A 76 11.962 -19.118 -9.940 1.00 4.37 C ATOM 980 OD1 ASP A 76 11.256 -19.372 -8.942 1.00 4.93 O ATOM 981 OD2 ASP A 76 12.908 -19.844 -10.313 1.00 4.70 O ATOM 0 H ASP A 76 9.498 -16.295 -11.391 1.00 2.55 H new ATOM 0 HA ASP A 76 10.818 -17.167 -8.886 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.068 -18.133 -11.617 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.588 -17.432 -11.100 1.00 3.70 H new ATOM 986 N GLU A 77 12.180 -15.119 -11.075 1.00 3.34 N ATOM 987 CA GLU A 77 12.935 -13.878 -11.208 1.00 4.10 C ATOM 988 C GLU A 77 12.071 -12.766 -11.791 1.00 4.12 C ATOM 989 O GLU A 77 11.761 -11.787 -11.112 1.00 4.72 O ATOM 990 CB GLU A 77 14.165 -14.098 -12.091 1.00 4.59 C ATOM 991 CG GLU A 77 15.405 -14.516 -11.316 1.00 5.37 C ATOM 992 CD GLU A 77 16.191 -15.606 -12.018 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.864 -15.298 -13.024 1.00 6.84 O ATOM 994 OE2 GLU A 77 16.135 -16.766 -11.561 1.00 6.39 O ATOM 0 H GLU A 77 12.097 -15.656 -11.938 1.00 3.34 H new ATOM 0 HA GLU A 77 13.257 -13.574 -10.212 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.936 -14.862 -12.834 1.00 4.59 H new ATOM 0 HB3 GLU A 77 14.380 -13.179 -12.635 1.00 4.59 H new ATOM 0 HG2 GLU A 77 16.047 -13.647 -11.169 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.110 -14.866 -10.327 1.00 5.37 H new ATOM 1001 N VAL A 78 11.691 -12.927 -13.055 1.00 3.88 N ATOM 1002 CA VAL A 78 10.863 -11.944 -13.755 1.00 4.32 C ATOM 1003 C VAL A 78 11.314 -10.515 -13.457 1.00 4.59 C ATOM 1004 O VAL A 78 10.892 -9.910 -12.471 1.00 4.66 O ATOM 1005 CB VAL A 78 9.369 -12.094 -13.400 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.771 -13.297 -14.113 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.171 -12.209 -11.895 1.00 4.61 C ATOM 0 H VAL A 78 11.945 -13.736 -13.622 1.00 3.88 H new ATOM 0 HA VAL A 78 10.990 -12.140 -14.820 1.00 4.32 H new ATOM 0 HB VAL A 78 8.850 -11.197 -13.738 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.717 -13.388 -13.851 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.867 -13.166 -15.191 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.300 -14.200 -13.808 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.109 -12.314 -11.675 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.706 -13.083 -11.523 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.556 -11.313 -11.408 1.00 4.61 H new ATOM 1011 N GLU A 79 12.179 -9.983 -14.316 1.00 5.02 N ATOM 1012 CA GLU A 79 12.695 -8.632 -14.147 1.00 5.37 C ATOM 1013 C GLU A 79 11.753 -7.600 -14.758 1.00 4.83 C ATOM 1014 O GLU A 79 11.737 -7.398 -15.972 1.00 5.25 O ATOM 1015 CB GLU A 79 14.084 -8.512 -14.778 1.00 6.47 C ATOM 1016 CG GLU A 79 15.221 -8.719 -13.789 1.00 7.05 C ATOM 1017 CD GLU A 79 16.545 -8.994 -14.474 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.544 -9.692 -15.510 1.00 8.13 O ATOM 1019 OE2 GLU A 79 17.583 -8.512 -13.974 1.00 8.58 O ATOM 0 H GLU A 79 12.537 -10.470 -15.138 1.00 5.02 H new ATOM 0 HA GLU A 79 12.769 -8.433 -13.078 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.174 -9.244 -15.581 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.184 -7.526 -15.233 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.318 -7.833 -13.161 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.977 -9.552 -13.129 1.00 7.05 H new ATOM 1026 N LEU A 80 10.973 -6.949 -13.903 1.00 4.12 N ATOM 1027 CA LEU A 80 10.027 -5.932 -14.348 1.00 3.69 C ATOM 1028 C LEU A 80 9.504 -5.122 -13.162 1.00 3.19 C ATOM 1029 O LEU A 80 9.491 -5.604 -12.031 1.00 2.62 O ATOM 1030 CB LEU A 80 8.858 -6.580 -15.093 1.00 3.48 C ATOM 1031 CG LEU A 80 7.919 -7.419 -14.223 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.469 -7.182 -14.617 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.269 -8.896 -14.336 1.00 3.62 C ATOM 0 H LEU A 80 10.977 -7.108 -12.895 1.00 4.12 H new ATOM 0 HA LEU A 80 10.549 -5.257 -15.026 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.276 -5.795 -15.577 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.258 -7.214 -15.884 1.00 3.48 H new ATOM 0 HG LEU A 80 8.045 -7.112 -13.185 1.00 3.52 H new ATOM 0 HD11 LEU A 80 5.817 -7.787 -13.987 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.224 -6.128 -14.486 1.00 4.01 H new ATOM 0 HD13 LEU A 80 6.325 -7.461 -15.661 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.592 -9.479 -13.711 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.171 -9.215 -15.374 1.00 3.62 H new ATOM 0 HD23 LEU A 80 9.295 -9.053 -14.004 1.00 3.62 H new ATOM 1039 N PRO A 81 9.063 -3.876 -13.409 1.00 3.80 N ATOM 1040 CA PRO A 81 8.536 -3.001 -12.357 1.00 3.74 C ATOM 1041 C PRO A 81 7.131 -3.407 -11.921 1.00 2.98 C ATOM 1042 O PRO A 81 6.276 -3.702 -12.756 1.00 3.21 O ATOM 1043 CB PRO A 81 8.511 -1.629 -13.029 1.00 4.99 C ATOM 1044 CG PRO A 81 8.329 -1.923 -14.477 1.00 5.53 C ATOM 1045 CD PRO A 81 9.045 -3.222 -14.733 1.00 4.94 C ATOM 0 HA PRO A 81 9.138 -3.038 -11.449 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.698 -1.014 -12.644 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.437 -1.082 -12.849 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.271 -2.005 -14.728 1.00 5.53 H new ATOM 0 HG3 PRO A 81 8.741 -1.123 -15.092 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.523 -3.829 -15.473 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.053 -3.056 -15.112 1.00 4.94 H new ATOM 1053 N LEU A 82 6.898 -3.421 -10.611 1.00 2.52 N ATOM 1054 CA LEU A 82 5.592 -3.796 -10.078 1.00 1.87 C ATOM 1055 C LEU A 82 5.551 -3.660 -8.558 1.00 1.58 C ATOM 1056 O LEU A 82 6.555 -3.861 -7.875 1.00 2.06 O ATOM 1057 CB LEU A 82 5.240 -5.233 -10.485 1.00 1.92 C ATOM 1058 CG LEU A 82 6.038 -6.346 -9.786 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.517 -6.006 -9.723 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.488 -6.608 -8.391 1.00 2.10 C ATOM 0 H LEU A 82 7.592 -3.179 -9.903 1.00 2.52 H new ATOM 0 HA LEU A 82 4.854 -3.114 -10.500 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.180 -5.396 -10.290 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.384 -5.331 -11.561 1.00 1.92 H new ATOM 0 HG LEU A 82 5.928 -7.256 -10.376 1.00 1.91 H new ATOM 0 HD11 LEU A 82 8.055 -6.812 -9.223 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.905 -5.883 -10.734 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.654 -5.079 -9.166 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.067 -7.399 -7.914 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.558 -5.698 -7.795 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.445 -6.915 -8.463 1.00 2.10 H new ATOM 1066 N LEU A 83 4.377 -3.322 -8.038 1.00 1.15 N ATOM 1067 CA LEU A 83 4.192 -3.169 -6.599 1.00 1.18 C ATOM 1068 C LEU A 83 3.017 -4.013 -6.101 1.00 1.05 C ATOM 1069 O LEU A 83 2.893 -4.272 -4.905 1.00 1.39 O ATOM 1070 CB LEU A 83 3.987 -1.695 -6.240 1.00 1.20 C ATOM 1071 CG LEU A 83 5.174 -1.035 -5.530 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.205 -1.433 -4.062 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.484 -1.409 -6.211 1.00 2.48 C ATOM 0 H LEU A 83 3.538 -3.148 -8.591 1.00 1.15 H new ATOM 0 HA LEU A 83 5.094 -3.526 -6.103 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.773 -1.140 -7.153 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.107 -1.610 -5.602 1.00 1.20 H new ATOM 0 HG LEU A 83 5.052 0.046 -5.593 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.054 -0.955 -3.573 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.282 -1.114 -3.579 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.301 -2.516 -3.981 1.00 3.13 H new ATOM 0 HD21 LEU A 83 7.314 -0.930 -5.691 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.613 -2.491 -6.182 1.00 2.48 H new ATOM 0 HD23 LEU A 83 6.464 -1.074 -7.248 1.00 2.48 H new ATOM 1079 N GLY A 84 2.160 -4.448 -7.025 1.00 0.86 N ATOM 1080 CA GLY A 84 1.018 -5.266 -6.656 1.00 1.17 C ATOM 1081 C GLY A 84 -0.066 -4.490 -5.932 1.00 1.02 C ATOM 1082 O GLY A 84 -0.084 -3.256 -5.951 1.00 0.95 O ATOM 0 H GLY A 84 2.238 -4.247 -8.022 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.595 -5.715 -7.555 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.356 -6.084 -6.020 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.978 -5.222 -5.293 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.076 -4.605 -4.558 1.00 0.88 C ATOM 1088 C ASP A 85 -1.947 -4.885 -3.062 1.00 0.82 C ATOM 1089 O ASP A 85 -1.308 -5.856 -2.656 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.418 -5.122 -5.086 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.598 -4.648 -4.259 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.739 -5.110 -3.108 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -5.380 -3.814 -4.764 1.00 2.12 O ATOM 0 H ASP A 85 -0.976 -6.242 -5.271 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.032 -3.526 -4.707 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.548 -4.794 -6.117 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.403 -6.212 -5.098 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.551 -4.024 -2.246 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.495 -4.181 -0.796 1.00 0.69 C ATOM 1100 C LEU A 86 -3.889 -4.127 -0.176 1.00 0.60 C ATOM 1101 O LEU A 86 -4.826 -3.596 -0.771 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.608 -3.093 -0.181 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.559 -3.598 0.812 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.745 -2.832 0.649 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.075 -3.477 2.239 1.00 1.10 C ATOM 0 H LEU A 86 -3.083 -3.214 -2.563 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.067 -5.160 -0.582 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.099 -2.563 -0.986 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.246 -2.368 0.325 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.366 -4.650 0.603 1.00 0.94 H new ATOM 0 HD11 LEU A 86 1.478 -3.206 1.364 1.00 1.41 H new ATOM 0 HD12 LEU A 86 1.123 -2.969 -0.364 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.569 -1.772 0.830 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.316 -3.841 2.932 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.296 -2.433 2.458 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.982 -4.071 2.350 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.010 -4.679 1.028 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.279 -4.701 1.749 1.00 0.59 C ATOM 1113 C VAL A 87 -5.073 -4.244 3.192 1.00 0.66 C ATOM 1114 O VAL A 87 -4.856 -5.061 4.088 1.00 0.94 O ATOM 1115 CB VAL A 87 -5.909 -6.115 1.730 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -6.936 -6.287 2.843 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.537 -6.395 0.373 1.00 1.15 C ATOM 0 H VAL A 87 -3.238 -5.120 1.528 1.00 0.56 H new ATOM 0 HA VAL A 87 -5.962 -4.016 1.247 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.112 -6.838 1.905 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -7.357 -7.292 2.798 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -6.454 -6.139 3.809 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -7.733 -5.554 2.719 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.976 -7.393 0.374 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.314 -5.657 0.172 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.772 -6.336 -0.401 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.130 -2.934 3.410 1.00 0.57 N ATOM 1122 CA ILE A 88 -4.934 -2.382 4.746 1.00 0.66 C ATOM 1123 C ILE A 88 -6.266 -2.129 5.449 1.00 0.74 C ATOM 1124 O ILE A 88 -7.279 -1.853 4.807 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.123 -1.069 4.694 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.740 -1.322 4.085 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -3.991 -0.462 6.083 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.566 -0.717 2.709 1.00 1.94 C ATOM 0 H ILE A 88 -5.309 -2.239 2.685 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.374 -3.124 5.315 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.657 -0.359 4.062 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -1.979 -0.915 4.751 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.570 -2.397 4.025 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.416 0.462 6.023 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -4.982 -0.247 6.482 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.480 -1.165 6.740 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.564 -0.935 2.340 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.304 -1.142 2.029 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.704 0.363 2.766 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.249 -2.225 6.776 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.447 -2.006 7.580 1.00 0.89 C ATOM 1134 C CYS A 89 -7.516 -0.561 8.066 1.00 0.78 C ATOM 1135 O CYS A 89 -6.545 -0.030 8.605 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.466 -2.961 8.775 1.00 1.12 C ATOM 1137 SG CYS A 89 -7.336 -4.707 8.328 1.00 1.32 S ATOM 0 H CYS A 89 -5.416 -2.454 7.318 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.318 -2.203 6.954 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.643 -2.706 9.443 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.389 -2.808 9.334 1.00 1.12 H new ATOM 0 HG CYS A 89 -6.104 -4.986 8.023 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.666 0.070 7.863 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.864 1.457 8.273 1.00 0.91 C ATOM 1145 C ARG A 90 -9.291 1.568 9.737 1.00 0.81 C ATOM 1146 O ARG A 90 -9.451 2.669 10.256 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.900 2.141 7.376 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.209 1.373 7.232 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.007 1.357 8.528 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.110 2.685 9.130 1.00 3.28 N ATOM 1151 CZ ARG A 90 -12.566 2.908 10.360 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -12.963 1.896 11.122 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.625 4.146 10.831 1.00 5.12 N ATOM 0 H ARG A 90 -9.478 -0.357 7.416 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.904 1.962 8.167 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.115 3.131 7.779 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.467 2.287 6.386 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.809 1.825 6.442 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.997 0.349 6.925 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -13.007 0.970 8.332 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.535 0.675 9.235 1.00 2.56 H new ATOM 0 HE ARG A 90 -11.815 3.488 8.575 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -12.919 0.941 10.765 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -13.312 2.073 12.064 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -12.321 4.928 10.250 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.975 4.317 11.774 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.495 0.432 10.398 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.921 0.440 11.794 1.00 0.63 C ATOM 1169 C GLN A 91 -8.736 0.568 12.752 1.00 0.58 C ATOM 1170 O GLN A 91 -8.818 1.276 13.755 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.722 -0.826 12.115 1.00 0.69 C ATOM 1172 CG GLN A 91 -11.929 -0.572 13.004 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.041 -1.579 12.780 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -13.519 -2.213 13.720 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -13.458 -1.732 11.529 1.00 1.12 N ATOM 0 H GLN A 91 -9.374 -0.497 9.995 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.557 1.314 11.935 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.057 -1.280 11.183 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.066 -1.547 12.603 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -11.619 -0.605 14.049 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.310 0.432 12.815 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -13.034 -1.186 10.780 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.203 -2.396 11.317 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.639 -0.123 12.451 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.458 -0.081 13.310 1.00 0.60 C ATOM 1184 C VAL A 92 -5.543 1.092 12.972 1.00 0.55 C ATOM 1185 O VAL A 92 -5.075 1.802 13.865 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.652 -1.393 13.216 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.109 -1.595 11.810 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.522 -1.400 14.237 1.00 1.68 C ATOM 0 H VAL A 92 -7.543 -0.714 11.625 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.825 0.048 14.328 1.00 0.60 H new ATOM 0 HB VAL A 92 -6.323 -2.222 13.441 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.544 -2.526 11.768 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.937 -1.641 11.103 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.455 -0.763 11.549 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -3.964 -2.333 14.156 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -3.854 -0.560 14.046 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.938 -1.312 15.241 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.285 1.291 11.685 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.413 2.377 11.249 1.00 0.49 C ATOM 1194 C VAL A 93 -5.047 3.731 11.554 1.00 0.54 C ATOM 1195 O VAL A 93 -4.388 4.632 12.075 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.053 2.274 9.743 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.883 0.821 9.320 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.088 2.965 8.866 1.00 0.69 C ATOM 0 H VAL A 93 -5.663 0.720 10.929 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.483 2.286 11.811 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.103 2.789 9.604 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.631 0.778 8.260 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.083 0.364 9.902 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.813 0.280 9.494 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.799 2.870 7.819 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.062 2.500 9.017 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.145 4.020 9.133 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.332 3.866 11.243 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.045 5.108 11.505 1.00 0.69 C ATOM 1204 C GLU A 94 -7.096 5.370 13.004 1.00 0.67 C ATOM 1205 O GLU A 94 -6.949 6.507 13.452 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.460 5.055 10.931 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.122 6.419 10.813 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.451 6.488 11.539 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.445 6.534 12.787 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -11.499 6.495 10.858 1.00 2.25 O ATOM 0 H GLU A 94 -6.897 3.134 10.812 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.510 5.923 11.017 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.426 4.591 9.945 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.076 4.415 11.563 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.453 7.179 11.215 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.275 6.654 9.760 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.293 4.305 13.780 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.343 4.427 15.231 1.00 0.61 C ATOM 1219 C ARG A 95 -5.981 4.854 15.764 1.00 0.70 C ATOM 1220 O ARG A 95 -5.878 5.791 16.559 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.765 3.102 15.870 1.00 0.60 C ATOM 1222 CG ARG A 95 -9.252 3.024 16.179 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.509 2.467 17.572 1.00 1.58 C ATOM 1224 NE ARG A 95 -10.022 1.100 17.528 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.636 0.507 18.550 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.816 1.157 19.692 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -11.072 -0.740 18.427 1.00 3.75 N ATOM 0 H ARG A 95 -7.419 3.356 13.429 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.082 5.185 15.490 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -7.498 2.284 15.201 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.202 2.957 16.792 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -9.693 4.017 16.097 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -9.745 2.394 15.439 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -8.584 2.489 18.148 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -10.223 3.106 18.092 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.903 0.569 16.665 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -10.483 2.116 19.791 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.287 0.698 20.471 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -10.937 -1.243 17.550 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -11.542 -1.195 19.209 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.936 4.169 15.310 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.577 4.485 15.729 1.00 0.86 C ATOM 1243 C GLU A 96 -3.208 5.903 15.310 1.00 0.90 C ATOM 1244 O GLU A 96 -2.589 6.647 16.072 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.588 3.486 15.126 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.260 3.422 15.865 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.246 2.359 16.945 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -2.290 2.167 17.604 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -0.191 1.717 17.133 1.00 2.50 O ATOM 0 H GLU A 96 -5.005 3.392 14.652 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.527 4.416 16.816 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.041 2.495 15.124 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.403 3.754 14.086 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.461 3.221 15.152 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.050 4.393 16.313 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.601 6.273 14.094 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.321 7.605 13.573 1.00 0.92 C ATOM 1258 C ALA A 97 -4.128 8.658 14.320 1.00 1.00 C ATOM 1259 O ALA A 97 -3.616 9.727 14.655 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.624 7.662 12.083 1.00 0.87 C ATOM 0 H ALA A 97 -4.114 5.668 13.452 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.263 7.817 13.724 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.411 8.662 11.706 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.003 6.936 11.557 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.676 7.428 11.916 1.00 0.87 H new ATOM 1266 N SER A 98 -5.392 8.346 14.586 1.00 0.92 N ATOM 1267 CA SER A 98 -6.271 9.263 15.301 1.00 1.01 C ATOM 1268 C SER A 98 -5.801 9.441 16.740 1.00 1.07 C ATOM 1269 O SER A 98 -5.865 10.539 17.294 1.00 1.18 O ATOM 1270 CB SER A 98 -7.710 8.745 15.281 1.00 0.99 C ATOM 1271 OG SER A 98 -8.312 8.955 14.016 1.00 1.50 O ATOM 0 H SER A 98 -5.830 7.465 14.317 1.00 0.92 H new ATOM 0 HA SER A 98 -6.238 10.231 14.800 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.720 7.681 15.519 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.292 9.250 16.052 1.00 0.99 H new ATOM 0 HG SER A 98 -8.052 8.233 13.406 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.326 8.354 17.340 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.839 8.391 18.714 1.00 1.13 C ATOM 1279 C GLU A 99 -3.454 9.028 18.777 1.00 1.27 C ATOM 1280 O GLU A 99 -3.122 9.721 19.738 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.795 6.978 19.301 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.919 6.695 20.286 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.426 6.568 21.713 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.840 7.543 22.227 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -5.626 5.493 22.317 1.00 2.88 O ATOM 0 H GLU A 99 -5.268 7.437 16.896 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.526 8.997 19.304 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.844 6.254 18.488 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.838 6.831 19.802 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -6.656 7.496 20.230 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -6.426 5.774 19.998 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.653 8.790 17.743 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.304 9.342 17.677 1.00 1.37 C ATOM 1294 C GLN A 100 -1.343 10.849 17.436 1.00 1.48 C ATOM 1295 O GLN A 100 -0.398 11.564 17.770 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.504 8.658 16.567 1.00 1.33 C ATOM 1297 CG GLN A 100 0.240 7.416 17.030 1.00 1.96 C ATOM 1298 CD GLN A 100 1.541 7.202 16.281 1.00 2.38 C ATOM 1299 OE1 GLN A 100 1.761 6.147 15.685 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.411 8.205 16.309 1.00 2.35 N ATOM 0 H GLN A 100 -2.915 8.219 16.939 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.816 9.157 18.634 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.181 8.385 15.758 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.213 9.369 16.156 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.449 7.499 18.097 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.399 6.543 16.897 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.186 9.061 16.816 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.304 8.119 15.824 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.440 11.326 16.853 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.602 12.747 16.567 1.00 1.59 C ATOM 1309 C GLU A 101 -1.622 13.202 15.490 1.00 1.58 C ATOM 1310 O GLU A 101 -0.988 14.250 15.613 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.407 13.575 17.841 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.474 14.639 18.044 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.956 16.041 17.786 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -2.087 16.200 16.903 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -3.419 16.980 18.467 1.00 2.04 O ATOM 0 H GLU A 101 -3.231 10.747 16.569 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.615 12.903 16.197 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -2.404 12.907 18.702 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.429 14.055 17.806 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -4.314 14.438 17.379 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.854 14.578 19.064 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.506 12.405 14.432 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.606 12.723 13.330 1.00 1.36 C ATOM 1324 C LYS A 102 -1.355 12.711 11.999 1.00 1.24 C ATOM 1325 O LYS A 102 -2.295 11.938 11.814 1.00 1.16 O ATOM 1326 CB LYS A 102 0.551 11.726 13.284 1.00 1.37 C ATOM 1327 CG LYS A 102 1.372 11.679 14.563 1.00 1.77 C ATOM 1328 CD LYS A 102 1.978 13.036 14.887 1.00 2.28 C ATOM 1329 CE LYS A 102 2.648 13.034 16.252 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.969 12.347 16.223 1.00 2.36 N ATOM 0 H LYS A 102 -2.024 11.534 14.315 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.207 13.724 13.496 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.153 10.731 13.082 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.207 11.983 12.452 1.00 1.37 H new ATOM 0 HG2 LYS A 102 0.741 11.355 15.390 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.166 10.940 14.460 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.708 13.302 14.122 1.00 2.28 H new ATOM 0 HD3 LYS A 102 1.200 13.799 14.863 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.781 14.061 16.592 1.00 2.19 H new ATOM 0 HE3 LYS A 102 1.998 12.540 16.974 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.392 12.368 17.173 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.840 11.360 15.923 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.599 12.833 15.553 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.944 13.570 11.049 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.581 13.650 9.730 1.00 1.21 C ATOM 1346 C PRO A 103 -1.676 12.289 9.052 1.00 1.01 C ATOM 1347 O PRO A 103 -0.673 11.596 8.887 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.652 14.576 8.941 1.00 1.28 C ATOM 1349 CG PRO A 103 0.021 15.408 9.977 1.00 1.36 C ATOM 1350 CD PRO A 103 0.172 14.525 11.184 1.00 1.42 C ATOM 0 HA PRO A 103 -2.608 14.010 9.794 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.072 14.007 8.358 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -1.212 15.194 8.239 1.00 1.28 H new ATOM 0 HG2 PRO A 103 0.992 15.758 9.626 1.00 1.36 H new ATOM 0 HG3 PRO A 103 -0.571 16.292 10.212 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.137 14.018 11.193 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.103 15.095 12.110 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.889 11.911 8.660 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.113 10.631 7.998 1.00 0.93 C ATOM 1360 C LEU A 104 -2.295 10.528 6.712 1.00 0.85 C ATOM 1361 O LEU A 104 -2.054 9.431 6.207 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.601 10.442 7.694 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.393 9.708 8.777 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.888 9.830 8.526 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.977 8.245 8.838 1.00 1.51 C ATOM 0 H LEU A 104 -3.731 12.472 8.789 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.787 9.840 8.673 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -5.052 11.422 7.536 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.698 9.892 6.758 1.00 1.11 H new ATOM 0 HG LEU A 104 -5.172 10.171 9.739 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.433 9.301 9.308 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -7.174 10.882 8.533 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -7.131 9.395 7.557 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.549 7.736 9.613 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -5.169 7.772 7.875 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.914 8.178 9.069 1.00 1.51 H new ATOM 1371 N MET A 105 -1.865 11.675 6.187 1.00 0.98 N ATOM 1372 CA MET A 105 -1.068 11.709 4.962 1.00 0.99 C ATOM 1373 C MET A 105 0.099 10.732 5.046 1.00 0.76 C ATOM 1374 O MET A 105 0.232 9.833 4.216 1.00 0.81 O ATOM 1375 CB MET A 105 -0.540 13.125 4.710 1.00 1.22 C ATOM 1376 CG MET A 105 -1.631 14.181 4.624 1.00 1.08 C ATOM 1377 SD MET A 105 -2.686 13.978 3.177 1.00 1.56 S ATOM 1378 CE MET A 105 -3.739 12.636 3.720 1.00 1.27 C ATOM 0 H MET A 105 -2.055 12.592 6.591 1.00 0.98 H new ATOM 0 HA MET A 105 -1.711 11.413 4.133 1.00 0.99 H new ATOM 0 HB2 MET A 105 0.150 13.393 5.510 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.031 13.130 3.782 1.00 1.22 H new ATOM 0 HG2 MET A 105 -2.244 14.138 5.524 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.172 15.170 4.598 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.738 12.766 3.304 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.324 11.687 3.379 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.797 12.636 4.808 1.00 1.27 H new ATOM 1388 N ALA A 106 0.941 10.914 6.057 1.00 0.70 N ATOM 1389 CA ALA A 106 2.097 10.048 6.254 1.00 0.63 C ATOM 1390 C ALA A 106 1.662 8.632 6.613 1.00 0.54 C ATOM 1391 O ALA A 106 2.340 7.659 6.278 1.00 0.61 O ATOM 1392 CB ALA A 106 2.999 10.616 7.339 1.00 0.84 C ATOM 0 H ALA A 106 0.845 11.654 6.753 1.00 0.70 H new ATOM 0 HA ALA A 106 2.655 10.004 5.319 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.859 9.961 7.477 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.342 11.608 7.045 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.443 10.687 8.274 1.00 0.84 H new ATOM 1398 N HIS A 107 0.527 8.525 7.298 1.00 0.53 N ATOM 1399 CA HIS A 107 0.000 7.228 7.708 1.00 0.60 C ATOM 1400 C HIS A 107 -0.197 6.314 6.505 1.00 0.55 C ATOM 1401 O HIS A 107 0.340 5.209 6.464 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.324 7.399 8.455 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.490 6.439 9.593 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.722 6.490 10.738 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -2.337 5.396 9.757 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -1.088 5.518 11.554 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -2.068 4.842 10.983 1.00 2.34 N ATOM 0 H HIS A 107 -0.045 9.321 7.581 1.00 0.53 H new ATOM 0 HA HIS A 107 0.727 6.768 8.377 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.389 8.418 8.836 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.148 7.267 7.754 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.013 7.172 10.925 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -3.085 5.062 9.054 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.659 5.311 12.523 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.965 6.779 5.526 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.221 5.995 4.322 1.00 0.46 C ATOM 1418 C TRP A 108 0.089 5.595 3.652 1.00 0.43 C ATOM 1419 O TRP A 108 0.327 4.416 3.381 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.093 6.788 3.345 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.503 6.288 3.273 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.003 5.367 2.398 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.595 6.681 4.112 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.340 5.162 2.642 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.727 5.958 3.689 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.727 7.573 5.179 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.972 6.100 4.297 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.963 7.713 5.782 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -7.071 6.980 5.340 1.00 2.00 C ATOM 0 H TRP A 108 -1.420 7.692 5.541 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.753 5.088 4.611 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.101 7.836 3.644 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.647 6.743 2.351 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.432 4.872 1.627 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.946 4.522 2.128 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.878 8.143 5.527 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.828 5.536 3.958 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -6.076 8.399 6.608 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -8.023 7.112 5.832 1.00 2.00 H new ATOM 1440 N ALA A 109 0.941 6.584 3.397 1.00 0.47 N ATOM 1441 CA ALA A 109 2.233 6.340 2.769 1.00 0.51 C ATOM 1442 C ALA A 109 3.007 5.265 3.523 1.00 0.49 C ATOM 1443 O ALA A 109 3.326 4.212 2.972 1.00 0.64 O ATOM 1444 CB ALA A 109 3.040 7.628 2.707 1.00 0.62 C ATOM 0 H ALA A 109 0.758 7.563 3.617 1.00 0.47 H new ATOM 0 HA ALA A 109 2.059 5.985 1.753 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.003 7.432 2.236 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.495 8.371 2.124 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.201 8.006 3.717 1.00 0.62 H new ATOM 1450 N HIS A 110 3.298 5.536 4.791 1.00 0.44 N ATOM 1451 CA HIS A 110 4.029 4.589 5.625 1.00 0.53 C ATOM 1452 C HIS A 110 3.289 3.258 5.713 1.00 0.60 C ATOM 1453 O HIS A 110 3.893 2.192 5.582 1.00 0.86 O ATOM 1454 CB HIS A 110 4.235 5.166 7.026 1.00 0.57 C ATOM 1455 CG HIS A 110 5.171 4.359 7.873 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.527 4.282 7.634 1.00 1.58 N ATOM 1457 CD2 HIS A 110 4.939 3.591 8.964 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.088 3.502 8.539 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.148 3.070 9.358 1.00 2.16 N ATOM 0 H HIS A 110 3.039 6.402 5.263 1.00 0.44 H new ATOM 0 HA HIS A 110 5.002 4.413 5.166 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.621 6.182 6.939 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.270 5.233 7.528 1.00 0.57 H new ATOM 0 HD2 HIS A 110 3.983 3.420 9.436 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.139 3.259 8.599 1.00 1.93 H new ATOM 0 HE2 HIS A 110 6.295 2.450 10.154 1.00 2.16 H new ATOM 1468 N MET A 111 1.979 3.326 5.938 1.00 0.50 N ATOM 1469 CA MET A 111 1.160 2.126 6.048 1.00 0.59 C ATOM 1470 C MET A 111 1.338 1.221 4.833 1.00 0.59 C ATOM 1471 O MET A 111 1.664 0.043 4.968 1.00 0.78 O ATOM 1472 CB MET A 111 -0.314 2.501 6.209 1.00 0.63 C ATOM 1473 CG MET A 111 -0.707 2.816 7.642 1.00 1.24 C ATOM 1474 SD MET A 111 -0.439 1.425 8.756 1.00 2.04 S ATOM 1475 CE MET A 111 -1.208 0.101 7.830 1.00 1.59 C ATOM 0 H MET A 111 1.464 4.200 6.047 1.00 0.50 H new ATOM 0 HA MET A 111 1.488 1.578 6.931 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.531 3.366 5.583 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.931 1.680 5.844 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.132 3.673 7.992 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.758 3.103 7.672 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.300 -0.781 8.464 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.198 0.415 7.500 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.595 -0.139 6.961 1.00 1.59 H new ATOM 1485 N VAL A 112 1.124 1.778 3.644 1.00 0.51 N ATOM 1486 CA VAL A 112 1.263 1.012 2.410 1.00 0.58 C ATOM 1487 C VAL A 112 2.637 0.354 2.323 1.00 0.64 C ATOM 1488 O VAL A 112 2.748 -0.865 2.161 1.00 0.78 O ATOM 1489 CB VAL A 112 1.053 1.902 1.170 1.00 0.59 C ATOM 1490 CG1 VAL A 112 1.033 1.059 -0.096 1.00 1.46 C ATOM 1491 CG2 VAL A 112 -0.230 2.713 1.302 1.00 1.42 C ATOM 0 H VAL A 112 0.855 2.753 3.509 1.00 0.51 H new ATOM 0 HA VAL A 112 0.494 0.240 2.428 1.00 0.58 H new ATOM 0 HB VAL A 112 1.888 2.599 1.101 1.00 0.59 H new ATOM 0 HG11 VAL A 112 0.884 1.705 -0.961 1.00 1.46 H new ATOM 0 HG12 VAL A 112 1.981 0.531 -0.197 1.00 1.46 H new ATOM 0 HG13 VAL A 112 0.220 0.336 -0.039 1.00 1.46 H new ATOM 0 HG21 VAL A 112 -0.360 3.335 0.416 1.00 1.42 H new ATOM 0 HG22 VAL A 112 -1.079 2.037 1.399 1.00 1.42 H new ATOM 0 HG23 VAL A 112 -0.170 3.348 2.186 1.00 1.42 H new ATOM 1495 N VAL A 113 3.683 1.166 2.434 1.00 0.61 N ATOM 1496 CA VAL A 113 5.051 0.667 2.370 1.00 0.72 C ATOM 1497 C VAL A 113 5.300 -0.396 3.436 1.00 0.82 C ATOM 1498 O VAL A 113 6.085 -1.322 3.230 1.00 1.03 O ATOM 1499 CB VAL A 113 6.074 1.808 2.540 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.497 1.273 2.483 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.859 2.877 1.478 1.00 0.63 C ATOM 0 H VAL A 113 3.609 2.174 2.569 1.00 0.61 H new ATOM 0 HA VAL A 113 5.180 0.221 1.384 1.00 0.72 H new ATOM 0 HB VAL A 113 5.923 2.260 3.520 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.201 2.097 2.605 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.645 0.547 3.283 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.666 0.791 1.520 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.589 3.675 1.612 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.981 2.436 0.488 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.853 3.286 1.572 1.00 0.63 H new ATOM 1505 N HIS A 114 4.627 -0.263 4.576 1.00 0.75 N ATOM 1506 CA HIS A 114 4.786 -1.222 5.664 1.00 0.85 C ATOM 1507 C HIS A 114 4.208 -2.581 5.274 1.00 0.96 C ATOM 1508 O HIS A 114 4.893 -3.600 5.344 1.00 1.08 O ATOM 1509 CB HIS A 114 4.126 -0.691 6.952 1.00 0.89 C ATOM 1510 CG HIS A 114 2.904 -1.449 7.386 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.941 -2.759 7.809 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.603 -1.077 7.442 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.719 -3.161 8.103 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.885 -2.158 7.890 1.00 1.36 N ATOM 0 H HIS A 114 3.971 0.494 4.769 1.00 0.75 H new ATOM 0 HA HIS A 114 5.851 -1.352 5.857 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.859 -0.717 7.758 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.855 0.354 6.802 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.783 -3.330 7.884 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.204 -0.108 7.182 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.446 -4.144 8.458 1.00 1.30 H new ATOM 1523 N GLY A 115 2.946 -2.586 4.865 1.00 1.03 N ATOM 1524 CA GLY A 115 2.301 -3.824 4.474 1.00 1.18 C ATOM 1525 C GLY A 115 2.751 -4.317 3.112 1.00 1.20 C ATOM 1526 O GLY A 115 2.372 -5.409 2.689 1.00 1.36 O ATOM 0 H GLY A 115 2.358 -1.755 4.797 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.512 -4.590 5.220 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.221 -3.678 4.464 1.00 1.18 H new ATOM 1530 N SER A 116 3.559 -3.517 2.423 1.00 1.17 N ATOM 1531 CA SER A 116 4.053 -3.893 1.105 1.00 1.26 C ATOM 1532 C SER A 116 5.274 -4.801 1.215 1.00 1.36 C ATOM 1533 O SER A 116 5.250 -5.947 0.769 1.00 1.63 O ATOM 1534 CB SER A 116 4.407 -2.645 0.294 1.00 1.31 C ATOM 1535 OG SER A 116 5.467 -1.927 0.899 1.00 1.72 O ATOM 0 H SER A 116 3.884 -2.609 2.754 1.00 1.17 H new ATOM 0 HA SER A 116 3.261 -4.440 0.594 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.690 -2.934 -0.718 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.531 -2.002 0.209 1.00 1.31 H new ATOM 0 HG SER A 116 5.402 -2.008 1.874 1.00 1.72 H new ATOM 1541 N LEU A 117 6.347 -4.275 1.800 1.00 1.28 N ATOM 1542 CA LEU A 117 7.584 -5.036 1.955 1.00 1.49 C ATOM 1543 C LEU A 117 7.556 -5.919 3.201 1.00 1.69 C ATOM 1544 O LEU A 117 7.942 -7.086 3.152 1.00 1.94 O ATOM 1545 CB LEU A 117 8.781 -4.087 2.017 1.00 1.49 C ATOM 1546 CG LEU A 117 10.082 -4.648 1.440 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.915 -4.981 -0.036 1.00 2.07 C ATOM 1548 CD2 LEU A 117 11.222 -3.661 1.641 1.00 2.38 C ATOM 0 H LEU A 117 6.385 -3.327 2.174 1.00 1.28 H new ATOM 0 HA LEU A 117 7.679 -5.688 1.087 1.00 1.49 H new ATOM 0 HB2 LEU A 117 8.528 -3.172 1.481 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.952 -3.810 3.057 1.00 1.49 H new ATOM 0 HG LEU A 117 10.325 -5.568 1.971 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.851 -5.379 -0.428 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.127 -5.725 -0.154 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.647 -4.078 -0.585 1.00 2.07 H new ATOM 0 HD21 LEU A 117 12.140 -4.076 1.225 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.986 -2.724 1.136 1.00 2.38 H new ATOM 0 HD23 LEU A 117 11.358 -3.475 2.706 1.00 2.38 H new ATOM 1554 N HIS A 118 7.112 -5.354 4.319 1.00 1.70 N ATOM 1555 CA HIS A 118 7.053 -6.095 5.577 1.00 2.04 C ATOM 1556 C HIS A 118 6.137 -7.310 5.470 1.00 2.25 C ATOM 1557 O HIS A 118 6.255 -8.255 6.252 1.00 2.60 O ATOM 1558 CB HIS A 118 6.580 -5.184 6.710 1.00 2.10 C ATOM 1559 CG HIS A 118 7.223 -5.486 8.028 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.888 -4.833 9.197 1.00 2.63 N ATOM 1561 CD2 HIS A 118 8.187 -6.378 8.360 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.619 -5.310 10.189 1.00 3.13 C ATOM 1563 NE2 HIS A 118 8.413 -6.248 9.708 1.00 3.28 N ATOM 0 H HIS A 118 6.788 -4.389 4.381 1.00 1.70 H new ATOM 0 HA HIS A 118 8.060 -6.450 5.797 1.00 2.04 H new ATOM 0 HB2 HIS A 118 6.787 -4.148 6.443 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.499 -5.277 6.813 1.00 2.10 H new ATOM 0 HD2 HIS A 118 8.685 -7.063 7.690 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.574 -4.987 11.219 1.00 3.13 H new ATOM 0 HE2 HIS A 118 9.086 -6.789 10.250 1.00 3.28 H new ATOM 1572 N LEU A 119 5.222 -7.285 4.507 1.00 2.15 N ATOM 1573 CA LEU A 119 4.290 -8.390 4.318 1.00 2.45 C ATOM 1574 C LEU A 119 4.944 -9.542 3.563 1.00 2.53 C ATOM 1575 O LEU A 119 4.917 -10.687 4.017 1.00 2.98 O ATOM 1576 CB LEU A 119 3.046 -7.920 3.563 1.00 2.52 C ATOM 1577 CG LEU A 119 2.000 -9.010 3.307 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.834 -8.869 4.271 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.513 -8.957 1.867 1.00 2.27 C ATOM 0 H LEU A 119 5.106 -6.515 3.848 1.00 2.15 H new ATOM 0 HA LEU A 119 3.997 -8.746 5.306 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.579 -7.113 4.128 1.00 2.52 H new ATOM 0 HB3 LEU A 119 3.356 -7.501 2.606 1.00 2.52 H new ATOM 0 HG LEU A 119 2.468 -9.980 3.475 1.00 2.47 H new ATOM 0 HD11 LEU A 119 0.102 -9.652 4.073 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.196 -8.960 5.295 1.00 3.30 H new ATOM 0 HD13 LEU A 119 0.367 -7.893 4.137 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.771 -9.739 1.705 1.00 2.27 H new ATOM 0 HD22 LEU A 119 1.064 -7.984 1.670 1.00 2.27 H new ATOM 0 HD23 LEU A 119 2.355 -9.111 1.192 1.00 2.27 H new ATOM 1585 N LEU A 120 5.522 -9.239 2.406 1.00 2.25 N ATOM 1586 CA LEU A 120 6.170 -10.259 1.589 1.00 2.47 C ATOM 1587 C LEU A 120 7.644 -9.938 1.365 1.00 2.57 C ATOM 1588 O LEU A 120 8.524 -10.697 1.772 1.00 3.07 O ATOM 1589 CB LEU A 120 5.436 -10.400 0.240 1.00 2.62 C ATOM 1590 CG LEU A 120 6.320 -10.471 -1.023 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.121 -11.786 -1.755 1.00 3.20 C ATOM 1592 CD2 LEU A 120 6.024 -9.299 -1.945 1.00 2.88 C ATOM 0 H LEU A 120 5.555 -8.298 2.013 1.00 2.25 H new ATOM 0 HA LEU A 120 6.116 -11.207 2.124 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.823 -11.301 0.278 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.755 -9.555 0.133 1.00 2.62 H new ATOM 0 HG LEU A 120 7.362 -10.414 -0.710 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.756 -11.809 -2.641 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.387 -12.613 -1.096 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.077 -11.882 -2.054 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.656 -9.364 -2.831 1.00 2.88 H new ATOM 0 HD22 LEU A 120 4.976 -9.327 -2.244 1.00 2.88 H new ATOM 0 HD23 LEU A 120 6.227 -8.364 -1.422 1.00 2.88 H new ATOM 1598 N GLY A 121 7.904 -8.831 0.679 1.00 2.56 N ATOM 1599 CA GLY A 121 9.270 -8.460 0.375 1.00 3.27 C ATOM 1600 C GLY A 121 9.479 -8.313 -1.118 1.00 3.49 C ATOM 1601 O GLY A 121 10.132 -9.149 -1.743 1.00 4.12 O ATOM 0 H GLY A 121 7.195 -8.187 0.330 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.514 -7.522 0.873 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.951 -9.216 0.767 1.00 3.27 H new ATOM 1605 N TYR A 122 8.895 -7.263 -1.691 1.00 3.41 N ATOM 1606 CA TYR A 122 8.977 -6.993 -3.133 1.00 4.05 C ATOM 1607 C TYR A 122 10.416 -6.922 -3.664 1.00 4.04 C ATOM 1608 O TYR A 122 10.645 -6.428 -4.767 1.00 4.29 O ATOM 1609 CB TYR A 122 8.247 -5.691 -3.454 1.00 4.92 C ATOM 1610 CG TYR A 122 6.744 -5.809 -3.362 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.057 -6.733 -4.137 1.00 5.29 C ATOM 1612 CD2 TYR A 122 6.015 -5.003 -2.500 1.00 5.07 C ATOM 1613 CE1 TYR A 122 4.682 -6.850 -4.055 1.00 5.72 C ATOM 1614 CE2 TYR A 122 4.640 -5.114 -2.411 1.00 5.49 C ATOM 1615 CZ TYR A 122 3.980 -6.039 -3.191 1.00 5.83 C ATOM 1616 OH TYR A 122 2.611 -6.153 -3.105 1.00 6.50 O ATOM 0 H TYR A 122 8.351 -6.573 -1.173 1.00 3.41 H new ATOM 0 HA TYR A 122 8.502 -7.836 -3.634 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.586 -4.914 -2.768 1.00 4.92 H new ATOM 0 HB3 TYR A 122 8.518 -5.369 -4.459 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.605 -7.371 -4.815 1.00 5.29 H new ATOM 0 HD2 TYR A 122 6.530 -4.277 -1.888 1.00 5.07 H new ATOM 0 HE1 TYR A 122 4.161 -7.573 -4.665 1.00 5.72 H new ATOM 0 HE2 TYR A 122 4.086 -4.480 -1.734 1.00 5.49 H new ATOM 0 HH TYR A 122 2.191 -5.564 -3.766 1.00 6.50 H new ATOM 1626 N ASP A 123 11.374 -7.423 -2.895 1.00 4.20 N ATOM 1627 CA ASP A 123 12.776 -7.427 -3.296 1.00 4.65 C ATOM 1628 C ASP A 123 13.046 -8.484 -4.372 1.00 4.02 C ATOM 1629 O ASP A 123 14.047 -9.199 -4.308 1.00 4.67 O ATOM 1630 CB ASP A 123 13.648 -7.698 -2.073 1.00 5.43 C ATOM 1631 CG ASP A 123 15.120 -7.454 -2.340 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.457 -6.368 -2.856 1.00 6.57 O ATOM 1633 OD2 ASP A 123 15.935 -8.349 -2.035 1.00 6.82 O ATOM 0 H ASP A 123 11.203 -7.837 -1.979 1.00 4.20 H new ATOM 0 HA ASP A 123 13.017 -6.451 -3.718 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.322 -7.062 -1.251 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.507 -8.730 -1.753 1.00 5.43 H new ATOM 1638 N HIS A 124 12.140 -8.586 -5.348 1.00 2.97 N ATOM 1639 CA HIS A 124 12.257 -9.559 -6.438 1.00 2.45 C ATOM 1640 C HIS A 124 13.707 -9.796 -6.855 1.00 2.10 C ATOM 1641 O HIS A 124 14.309 -10.810 -6.503 1.00 2.45 O ATOM 1642 CB HIS A 124 11.454 -9.087 -7.650 1.00 2.23 C ATOM 1643 CG HIS A 124 9.992 -9.387 -7.568 1.00 2.36 C ATOM 1644 ND1 HIS A 124 9.213 -9.068 -6.476 1.00 2.46 N ATOM 1645 CD2 HIS A 124 9.163 -9.976 -8.461 1.00 2.98 C ATOM 1646 CE1 HIS A 124 7.968 -9.448 -6.702 1.00 2.83 C ATOM 1647 NE2 HIS A 124 7.910 -10.002 -7.899 1.00 3.06 N ATOM 0 H HIS A 124 11.308 -7.999 -5.405 1.00 2.97 H new ATOM 0 HA HIS A 124 11.859 -10.503 -6.066 1.00 2.45 H new ATOM 0 HB2 HIS A 124 11.587 -8.011 -7.764 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.860 -9.555 -8.546 1.00 2.23 H new ATOM 0 HD1 HIS A 124 9.546 -8.611 -5.627 1.00 2.46 H new ATOM 0 HD2 HIS A 124 9.436 -10.355 -9.435 1.00 2.98 H new ATOM 0 HE1 HIS A 124 7.138 -9.326 -6.022 1.00 2.83 H new ATOM 1656 N ILE A 125 14.257 -8.858 -7.621 1.00 1.91 N ATOM 1657 CA ILE A 125 15.630 -8.970 -8.101 1.00 2.11 C ATOM 1658 C ILE A 125 16.509 -7.862 -7.534 1.00 2.10 C ATOM 1659 O ILE A 125 16.013 -6.871 -6.998 1.00 1.90 O ATOM 1660 CB ILE A 125 15.704 -8.926 -9.644 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.650 -7.966 -10.217 1.00 2.52 C ATOM 1662 CG2 ILE A 125 15.541 -10.325 -10.222 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.240 -8.518 -10.212 1.00 3.27 C ATOM 0 H ILE A 125 13.773 -8.012 -7.922 1.00 1.91 H new ATOM 0 HA ILE A 125 15.997 -9.936 -7.756 1.00 2.11 H new ATOM 0 HB ILE A 125 16.686 -8.549 -9.931 1.00 2.32 H new ATOM 0 HG12 ILE A 125 14.668 -7.040 -9.642 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.925 -7.711 -11.241 1.00 2.52 H new ATOM 0 HG21 ILE A 125 15.595 -10.278 -11.310 1.00 2.86 H new ATOM 0 HG22 ILE A 125 16.336 -10.969 -9.846 1.00 2.86 H new ATOM 0 HG23 ILE A 125 14.574 -10.731 -9.924 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.558 -7.779 -10.632 1.00 3.27 H new ATOM 0 HD12 ILE A 125 13.203 -9.428 -10.811 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.942 -8.746 -9.189 1.00 3.27 H new ATOM 1667 N GLU A 126 17.819 -8.039 -7.661 1.00 2.54 N ATOM 1668 CA GLU A 126 18.778 -7.059 -7.167 1.00 2.75 C ATOM 1669 C GLU A 126 19.280 -6.157 -8.295 1.00 2.70 C ATOM 1670 O GLU A 126 20.079 -5.249 -8.063 1.00 2.83 O ATOM 1671 CB GLU A 126 19.961 -7.766 -6.504 1.00 3.67 C ATOM 1672 CG GLU A 126 20.769 -8.629 -7.462 1.00 4.39 C ATOM 1673 CD GLU A 126 20.261 -10.057 -7.533 1.00 5.41 C ATOM 1674 OE1 GLU A 126 19.506 -10.464 -6.625 1.00 6.01 O ATOM 1675 OE2 GLU A 126 20.618 -10.767 -8.496 1.00 5.87 O ATOM 0 H GLU A 126 18.242 -8.855 -8.103 1.00 2.54 H new ATOM 0 HA GLU A 126 18.270 -6.436 -6.431 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.618 -7.018 -6.060 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.591 -8.390 -5.690 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.738 -8.187 -8.458 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.813 -8.634 -7.148 1.00 4.39 H new ATOM 1682 N ASP A 127 18.817 -6.415 -9.517 1.00 2.79 N ATOM 1683 CA ASP A 127 19.232 -5.629 -10.674 1.00 3.14 C ATOM 1684 C ASP A 127 18.327 -4.418 -10.892 1.00 2.88 C ATOM 1685 O ASP A 127 18.755 -3.275 -10.722 1.00 3.08 O ATOM 1686 CB ASP A 127 19.238 -6.505 -11.929 1.00 3.66 C ATOM 1687 CG ASP A 127 20.603 -7.100 -12.211 1.00 4.67 C ATOM 1688 OD1 ASP A 127 21.603 -6.355 -12.137 1.00 5.29 O ATOM 1689 OD2 ASP A 127 20.674 -8.312 -12.507 1.00 5.15 O ATOM 0 H ASP A 127 18.155 -7.162 -9.730 1.00 2.79 H new ATOM 0 HA ASP A 127 20.239 -5.262 -10.478 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.511 -7.309 -11.811 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.920 -5.911 -12.785 1.00 3.66 H new ATOM 1694 N ASP A 128 17.083 -4.672 -11.291 1.00 2.70 N ATOM 1695 CA ASP A 128 16.131 -3.597 -11.558 1.00 2.87 C ATOM 1696 C ASP A 128 15.249 -3.297 -10.347 1.00 2.37 C ATOM 1697 O ASP A 128 15.463 -2.309 -9.644 1.00 2.51 O ATOM 1698 CB ASP A 128 15.256 -3.959 -12.762 1.00 3.34 C ATOM 1699 CG ASP A 128 15.634 -3.178 -14.006 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.842 -3.093 -14.309 1.00 4.15 O ATOM 1701 OD2 ASP A 128 14.721 -2.653 -14.676 1.00 4.30 O ATOM 0 H ASP A 128 16.711 -5.611 -11.436 1.00 2.70 H new ATOM 0 HA ASP A 128 16.707 -2.698 -11.777 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.345 -5.026 -12.965 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.211 -3.767 -12.519 1.00 3.34 H new ATOM 1706 N GLU A 129 14.247 -4.144 -10.124 1.00 2.02 N ATOM 1707 CA GLU A 129 13.309 -3.970 -9.012 1.00 1.94 C ATOM 1708 C GLU A 129 14.013 -3.510 -7.736 1.00 1.62 C ATOM 1709 O GLU A 129 13.435 -2.783 -6.928 1.00 1.65 O ATOM 1710 CB GLU A 129 12.548 -5.274 -8.748 1.00 2.14 C ATOM 1711 CG GLU A 129 11.538 -5.169 -7.617 1.00 3.04 C ATOM 1712 CD GLU A 129 10.467 -4.129 -7.886 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.315 -3.723 -9.057 1.00 4.68 O ATOM 1714 OE2 GLU A 129 9.781 -3.720 -6.926 1.00 4.72 O ATOM 0 H GLU A 129 14.061 -4.964 -10.702 1.00 2.02 H new ATOM 0 HA GLU A 129 12.604 -3.190 -9.301 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.031 -5.574 -9.659 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.264 -6.062 -8.513 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.066 -6.140 -7.465 1.00 3.04 H new ATOM 0 HG3 GLU A 129 12.058 -4.919 -6.692 1.00 3.04 H new ATOM 1721 N ALA A 130 15.260 -3.931 -7.560 1.00 1.57 N ATOM 1722 CA ALA A 130 16.032 -3.554 -6.382 1.00 1.56 C ATOM 1723 C ALA A 130 16.136 -2.039 -6.253 1.00 1.41 C ATOM 1724 O ALA A 130 15.485 -1.430 -5.402 1.00 1.33 O ATOM 1725 CB ALA A 130 17.419 -4.174 -6.441 1.00 1.92 C ATOM 0 H ALA A 130 15.757 -4.532 -8.217 1.00 1.57 H new ATOM 0 HA ALA A 130 15.511 -3.932 -5.502 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.985 -3.885 -5.556 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.331 -5.260 -6.476 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.937 -3.823 -7.333 1.00 1.92 H new ATOM 1731 N GLU A 131 16.960 -1.433 -7.104 1.00 1.46 N ATOM 1732 CA GLU A 131 17.151 0.014 -7.090 1.00 1.46 C ATOM 1733 C GLU A 131 15.811 0.739 -7.115 1.00 1.38 C ATOM 1734 O GLU A 131 15.634 1.765 -6.457 1.00 1.37 O ATOM 1735 CB GLU A 131 18.003 0.450 -8.284 1.00 1.66 C ATOM 1736 CG GLU A 131 19.457 0.015 -8.185 1.00 1.92 C ATOM 1737 CD GLU A 131 20.066 -0.288 -9.539 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.593 0.280 -10.546 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.018 -1.096 -9.593 1.00 2.84 O ATOM 0 H GLU A 131 17.507 -1.923 -7.813 1.00 1.46 H new ATOM 0 HA GLU A 131 17.669 0.278 -6.168 1.00 1.46 H new ATOM 0 HB2 GLU A 131 17.571 0.040 -9.197 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.962 1.536 -8.372 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.035 0.800 -7.698 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.526 -0.870 -7.553 1.00 1.92 H new ATOM 1746 N GLU A 132 14.867 0.193 -7.875 1.00 1.44 N ATOM 1747 CA GLU A 132 13.538 0.782 -7.982 1.00 1.53 C ATOM 1748 C GLU A 132 12.853 0.812 -6.621 1.00 1.29 C ATOM 1749 O GLU A 132 12.514 1.878 -6.109 1.00 1.22 O ATOM 1750 CB GLU A 132 12.687 -0.005 -8.979 1.00 1.86 C ATOM 1751 CG GLU A 132 13.224 0.035 -10.402 1.00 2.46 C ATOM 1752 CD GLU A 132 12.237 -0.514 -11.414 1.00 2.96 C ATOM 1753 OE1 GLU A 132 11.043 -0.645 -11.069 1.00 3.44 O ATOM 1754 OE2 GLU A 132 12.658 -0.812 -12.551 1.00 3.37 O ATOM 0 H GLU A 132 14.998 -0.656 -8.425 1.00 1.44 H new ATOM 0 HA GLU A 132 13.645 1.806 -8.340 1.00 1.53 H new ATOM 0 HB2 GLU A 132 12.625 -1.043 -8.652 1.00 1.86 H new ATOM 0 HB3 GLU A 132 11.672 0.392 -8.971 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.473 1.064 -10.664 1.00 2.46 H new ATOM 0 HG3 GLU A 132 14.149 -0.540 -10.454 1.00 2.46 H new ATOM 1761 N MET A 133 12.657 -0.367 -6.037 1.00 1.28 N ATOM 1762 CA MET A 133 12.016 -0.476 -4.732 1.00 1.23 C ATOM 1763 C MET A 133 12.784 0.324 -3.684 1.00 0.98 C ATOM 1764 O MET A 133 12.193 1.045 -2.881 1.00 0.92 O ATOM 1765 CB MET A 133 11.924 -1.942 -4.306 1.00 1.53 C ATOM 1766 CG MET A 133 10.562 -2.566 -4.562 1.00 1.39 C ATOM 1767 SD MET A 133 9.464 -2.444 -3.137 1.00 2.20 S ATOM 1768 CE MET A 133 8.742 -0.827 -3.404 1.00 2.47 C ATOM 0 H MET A 133 12.933 -1.259 -6.447 1.00 1.28 H new ATOM 0 HA MET A 133 11.009 -0.066 -4.812 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.683 -2.515 -4.839 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.155 -2.018 -3.244 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.097 -2.076 -5.417 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.691 -3.615 -4.827 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.861 -0.713 -2.773 1.00 2.47 H new ATOM 0 HE2 MET A 133 9.471 -0.057 -3.152 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.454 -0.725 -4.450 1.00 2.47 H new ATOM 1778 N GLU A 134 14.107 0.194 -3.703 1.00 1.00 N ATOM 1779 CA GLU A 134 14.959 0.905 -2.758 1.00 0.98 C ATOM 1780 C GLU A 134 14.776 2.414 -2.895 1.00 0.85 C ATOM 1781 O GLU A 134 14.361 3.087 -1.952 1.00 0.92 O ATOM 1782 CB GLU A 134 16.426 0.532 -2.980 1.00 1.17 C ATOM 1783 CG GLU A 134 16.920 -0.566 -2.054 1.00 1.00 C ATOM 1784 CD GLU A 134 17.269 -0.050 -0.672 1.00 1.57 C ATOM 1785 OE1 GLU A 134 16.702 0.985 -0.264 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.110 -0.681 0.003 1.00 2.40 O ATOM 0 H GLU A 134 14.612 -0.398 -4.363 1.00 1.00 H new ATOM 0 HA GLU A 134 14.668 0.611 -1.749 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.559 0.212 -4.013 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.043 1.419 -2.840 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.153 -1.336 -1.967 1.00 1.00 H new ATOM 0 HG3 GLU A 134 17.798 -1.039 -2.494 1.00 1.00 H new ATOM 1793 N SER A 135 15.088 2.938 -4.076 1.00 0.80 N ATOM 1794 CA SER A 135 14.958 4.367 -4.337 1.00 0.84 C ATOM 1795 C SER A 135 13.514 4.823 -4.156 1.00 0.80 C ATOM 1796 O SER A 135 13.241 5.788 -3.442 1.00 0.82 O ATOM 1797 CB SER A 135 15.429 4.696 -5.754 1.00 0.97 C ATOM 1798 OG SER A 135 14.646 4.018 -6.721 1.00 1.29 O ATOM 0 H SER A 135 15.433 2.394 -4.867 1.00 0.80 H new ATOM 0 HA SER A 135 15.584 4.898 -3.620 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.368 5.771 -5.921 1.00 0.97 H new ATOM 0 HB3 SER A 135 16.476 4.415 -5.867 1.00 0.97 H new ATOM 0 HG SER A 135 14.844 3.059 -6.688 1.00 1.29 H new ATOM 1804 N LEU A 136 12.595 4.124 -4.811 1.00 0.81 N ATOM 1805 CA LEU A 136 11.176 4.457 -4.730 1.00 0.87 C ATOM 1806 C LEU A 136 10.699 4.491 -3.282 1.00 0.73 C ATOM 1807 O LEU A 136 10.229 5.521 -2.799 1.00 0.85 O ATOM 1808 CB LEU A 136 10.352 3.445 -5.530 1.00 0.98 C ATOM 1809 CG LEU A 136 8.896 3.843 -5.787 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.059 3.647 -4.533 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.813 5.286 -6.268 1.00 1.73 C ATOM 0 H LEU A 136 12.806 3.322 -5.405 1.00 0.81 H new ATOM 0 HA LEU A 136 11.037 5.451 -5.156 1.00 0.87 H new ATOM 0 HB2 LEU A 136 10.841 3.281 -6.490 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.363 2.493 -5.000 1.00 0.98 H new ATOM 0 HG LEU A 136 8.496 3.198 -6.569 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.027 3.935 -4.735 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.091 2.599 -4.234 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.458 4.266 -3.729 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.771 5.551 -6.445 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.231 5.947 -5.509 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.378 5.394 -7.194 1.00 1.73 H new ATOM 1817 N GLU A 137 10.819 3.362 -2.593 1.00 0.57 N ATOM 1818 CA GLU A 137 10.395 3.268 -1.200 1.00 0.51 C ATOM 1819 C GLU A 137 11.140 4.272 -0.331 1.00 0.52 C ATOM 1820 O GLU A 137 10.529 5.041 0.413 1.00 0.53 O ATOM 1821 CB GLU A 137 10.620 1.851 -0.672 1.00 0.52 C ATOM 1822 CG GLU A 137 10.149 1.653 0.760 1.00 1.16 C ATOM 1823 CD GLU A 137 11.205 1.013 1.640 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.405 1.272 1.411 1.00 2.45 O ATOM 1825 OE2 GLU A 137 10.832 0.253 2.558 1.00 2.54 O ATOM 0 H GLU A 137 11.206 2.499 -2.975 1.00 0.57 H new ATOM 0 HA GLU A 137 9.331 3.501 -1.156 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.099 1.145 -1.318 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.682 1.614 -0.732 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.866 2.617 1.182 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.255 1.030 0.761 1.00 1.16 H new ATOM 1832 N THR A 138 12.462 4.259 -0.428 1.00 0.57 N ATOM 1833 CA THR A 138 13.295 5.163 0.351 1.00 0.67 C ATOM 1834 C THR A 138 12.927 6.623 0.092 1.00 0.69 C ATOM 1835 O THR A 138 13.032 7.464 0.985 1.00 0.77 O ATOM 1836 CB THR A 138 14.769 4.931 0.024 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.158 3.612 0.367 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.694 5.884 0.743 1.00 1.10 C ATOM 0 H THR A 138 12.982 3.630 -1.040 1.00 0.57 H new ATOM 0 HA THR A 138 13.121 4.953 1.406 1.00 0.67 H new ATOM 0 HB THR A 138 14.859 5.101 -1.049 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.224 3.069 -0.446 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.726 5.667 0.468 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.451 6.909 0.461 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.573 5.766 1.820 1.00 1.10 H new ATOM 1843 N GLN A 139 12.507 6.922 -1.133 1.00 0.70 N ATOM 1844 CA GLN A 139 12.140 8.287 -1.497 1.00 0.79 C ATOM 1845 C GLN A 139 10.781 8.672 -0.920 1.00 0.67 C ATOM 1846 O GLN A 139 10.662 9.670 -0.214 1.00 0.67 O ATOM 1847 CB GLN A 139 12.130 8.453 -3.016 1.00 0.92 C ATOM 1848 CG GLN A 139 12.096 9.907 -3.462 1.00 1.04 C ATOM 1849 CD GLN A 139 12.603 10.096 -4.878 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.279 9.228 -5.430 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.280 11.239 -5.472 1.00 1.28 N ATOM 0 H GLN A 139 12.412 6.242 -1.887 1.00 0.70 H new ATOM 0 HA GLN A 139 12.890 8.954 -1.071 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.015 7.973 -3.433 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.263 7.934 -3.426 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.074 10.280 -3.393 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.700 10.506 -2.781 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.717 11.930 -4.976 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.594 11.426 -6.424 1.00 1.28 H new ATOM 1858 N ILE A 140 9.756 7.884 -1.224 1.00 0.60 N ATOM 1859 CA ILE A 140 8.415 8.168 -0.726 1.00 0.52 C ATOM 1860 C ILE A 140 8.371 8.088 0.797 1.00 0.47 C ATOM 1861 O ILE A 140 7.581 8.777 1.441 1.00 0.48 O ATOM 1862 CB ILE A 140 7.363 7.200 -1.312 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.490 7.129 -2.831 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.960 7.645 -0.927 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.544 6.136 -3.472 1.00 1.12 C ATOM 0 H ILE A 140 9.826 7.050 -1.808 1.00 0.60 H new ATOM 0 HA ILE A 140 8.172 9.181 -1.048 1.00 0.52 H new ATOM 0 HB ILE A 140 7.543 6.207 -0.899 1.00 0.49 H new ATOM 0 HG12 ILE A 140 7.304 8.118 -3.250 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.514 6.861 -3.090 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.231 6.953 -1.347 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.867 7.655 0.159 1.00 0.52 H new ATOM 0 HG23 ILE A 140 5.776 8.646 -1.316 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.690 6.139 -4.552 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.745 5.138 -3.082 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.515 6.414 -3.244 1.00 1.12 H new ATOM 1869 N MET A 141 9.223 7.241 1.366 1.00 0.47 N ATOM 1870 CA MET A 141 9.278 7.069 2.814 1.00 0.51 C ATOM 1871 C MET A 141 10.197 8.099 3.471 1.00 0.62 C ATOM 1872 O MET A 141 9.758 8.896 4.301 1.00 0.71 O ATOM 1873 CB MET A 141 9.751 5.657 3.161 1.00 0.51 C ATOM 1874 CG MET A 141 8.724 4.582 2.850 1.00 0.53 C ATOM 1875 SD MET A 141 7.238 4.733 3.857 1.00 1.02 S ATOM 1876 CE MET A 141 6.235 5.799 2.823 1.00 0.44 C ATOM 0 H MET A 141 9.884 6.663 0.847 1.00 0.47 H new ATOM 0 HA MET A 141 8.271 7.221 3.201 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.667 5.443 2.611 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.999 5.616 4.222 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.452 4.639 1.796 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.170 3.601 3.012 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.897 6.657 3.405 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.827 6.146 1.976 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.370 5.244 2.459 1.00 0.44 H new ATOM 1886 N GLN A 142 11.476 8.067 3.105 1.00 0.66 N ATOM 1887 CA GLN A 142 12.462 8.985 3.672 1.00 0.79 C ATOM 1888 C GLN A 142 12.298 10.402 3.127 1.00 0.80 C ATOM 1889 O GLN A 142 12.668 11.374 3.787 1.00 0.85 O ATOM 1890 CB GLN A 142 13.877 8.481 3.385 1.00 0.90 C ATOM 1891 CG GLN A 142 14.854 8.730 4.522 1.00 1.34 C ATOM 1892 CD GLN A 142 16.224 8.137 4.255 1.00 1.47 C ATOM 1893 OE1 GLN A 142 17.187 8.859 3.997 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.318 6.814 4.314 1.00 1.85 N ATOM 0 H GLN A 142 11.855 7.415 2.418 1.00 0.66 H new ATOM 0 HA GLN A 142 12.297 9.019 4.749 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.838 7.411 3.179 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.251 8.966 2.483 1.00 0.90 H new ATOM 0 HG2 GLN A 142 14.952 9.804 4.683 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.451 8.305 5.442 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.494 6.253 4.531 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.214 6.358 4.142 1.00 1.85 H new ATOM 1901 N GLY A 143 11.748 10.517 1.922 1.00 0.79 N ATOM 1902 CA GLY A 143 11.556 11.825 1.314 1.00 0.84 C ATOM 1903 C GLY A 143 10.915 12.826 2.257 1.00 0.81 C ATOM 1904 O GLY A 143 11.235 14.014 2.222 1.00 1.05 O ATOM 0 H GLY A 143 11.432 9.730 1.355 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.520 12.211 0.983 1.00 0.84 H new ATOM 0 HA3 GLY A 143 10.933 11.719 0.426 1.00 0.84 H new ATOM 1908 N LEU A 144 10.009 12.346 3.102 1.00 0.75 N ATOM 1909 CA LEU A 144 9.322 13.209 4.056 1.00 0.72 C ATOM 1910 C LEU A 144 9.769 12.908 5.483 1.00 0.87 C ATOM 1911 O LEU A 144 9.765 13.788 6.344 1.00 1.01 O ATOM 1912 CB LEU A 144 7.807 13.034 3.936 1.00 0.62 C ATOM 1913 CG LEU A 144 7.285 12.852 2.509 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.183 11.374 2.164 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.937 13.537 2.339 1.00 0.81 C ATOM 0 H LEU A 144 9.733 11.365 3.146 1.00 0.75 H new ATOM 0 HA LEU A 144 9.581 14.242 3.824 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.509 12.169 4.528 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.320 13.905 4.376 1.00 0.62 H new ATOM 0 HG LEU A 144 7.992 13.317 1.822 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.810 11.263 1.146 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.168 10.913 2.242 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.498 10.885 2.857 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.583 13.396 1.318 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.218 13.104 3.035 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.042 14.603 2.542 1.00 0.81 H new ATOM 1921 N GLY A 145 10.154 11.659 5.728 1.00 0.91 N ATOM 1922 CA GLY A 145 10.598 11.267 7.052 1.00 1.11 C ATOM 1923 C GLY A 145 9.472 11.279 8.067 1.00 1.11 C ATOM 1924 O GLY A 145 9.127 12.329 8.610 1.00 1.24 O ATOM 0 H GLY A 145 10.166 10.912 5.033 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.031 10.268 7.006 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.388 11.942 7.382 1.00 1.11 H new ATOM 1928 N PHE A 146 8.898 10.109 8.325 1.00 1.15 N ATOM 1929 CA PHE A 146 7.804 9.989 9.282 1.00 1.25 C ATOM 1930 C PHE A 146 8.300 9.421 10.608 1.00 1.47 C ATOM 1931 O PHE A 146 8.021 9.979 11.667 1.00 99.99 O ATOM 1932 CB PHE A 146 6.696 9.099 8.715 1.00 1.63 C ATOM 1933 CG PHE A 146 6.227 9.517 7.349 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.033 10.856 7.049 1.00 1.74 C ATOM 1935 CD2 PHE A 146 5.978 8.571 6.368 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.600 11.243 5.795 1.00 1.65 C ATOM 1937 CE2 PHE A 146 5.544 8.952 5.113 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.355 10.289 4.826 1.00 0.93 C ATOM 0 H PHE A 146 9.172 9.230 7.885 1.00 1.15 H new ATOM 0 HA PHE A 146 7.402 10.986 9.462 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.056 8.071 8.668 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.848 9.109 9.400 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.222 11.605 7.803 1.00 1.74 H new ATOM 0 HD2 PHE A 146 6.125 7.524 6.587 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.453 12.290 5.573 1.00 1.65 H new ATOM 0 HE2 PHE A 146 5.353 8.205 4.357 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.016 10.589 3.845 1.00 0.93 H new