USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 783 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 84 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0635) USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 ASN : amide:sc= 1.06 K(o=2.3,f=-7.4!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 136:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 104 GLN : amide:sc= 0.868 K(o=2.1,f=-8.8!) USER MOD Single : A 4 THR OG1 : rot -30:sc= 0.484 USER MOD Single : A 8 SER OG : rot 180:sc= 0.044 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot -88:sc= 0.527 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.605 USER MOD Single : A 28 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.957) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 120:sc= 0 USER MOD Single : A 34 SER OG : rot -77:sc= 0.894 USER MOD Single : A 37 SER OG : rot 65:sc= 1.23 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 142:sc= -0.328 (180deg=-1.85!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 GLN : amide:sc= 0.908 K(o=0.91,f=-7.1!) USER MOD Single : A 56 SER OG : rot -97:sc= 0.478 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.398 K(o=-0.4,f=-0.94) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -110:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00967 USER MOD Single : A 83 THR OG1 : rot 124:sc= 0.369 USER MOD Single : A 85 SER OG : rot -170:sc= 0.538 USER MOD Single : A 92 ASN : amide:sc= 0.589 K(o=0.59,f=-3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 143:sc= -0.008 (180deg=-1.77) USER MOD Single : A 108 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.58) USER MOD Single : A 109 SER OG : rot -20:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -11.998 5.008 1.132 1.00 0.65 N ATOM 32 CA ILE A 3 -11.049 5.275 0.049 1.00 0.47 C ATOM 33 C ILE A 3 -11.699 5.183 -1.347 1.00 0.55 C ATOM 34 O ILE A 3 -11.419 5.988 -2.238 1.00 0.67 O ATOM 35 CB ILE A 3 -9.804 4.378 0.219 1.00 0.56 C ATOM 36 CG1 ILE A 3 -10.004 2.920 -0.229 1.00 0.89 C ATOM 37 CG2 ILE A 3 -9.317 4.399 1.673 1.00 0.59 C ATOM 38 CD1 ILE A 3 -9.528 2.690 -1.669 1.00 1.22 C ATOM 0 HA ILE A 3 -10.718 6.311 0.119 1.00 0.47 H new ATOM 0 HB ILE A 3 -9.053 4.807 -0.445 1.00 0.56 H new ATOM 0 HG12 ILE A 3 -9.460 2.257 0.443 1.00 0.89 H new ATOM 0 HG13 ILE A 3 -11.059 2.658 -0.150 1.00 0.89 H new ATOM 0 HG21 ILE A 3 -8.439 3.761 1.772 1.00 0.59 H new ATOM 0 HG22 ILE A 3 -9.058 5.419 1.955 1.00 0.59 H new ATOM 0 HG23 ILE A 3 -10.108 4.032 2.327 1.00 0.59 H new ATOM 0 HD11 ILE A 3 -9.688 1.647 -1.943 1.00 1.22 H new ATOM 0 HD12 ILE A 3 -10.091 3.333 -2.345 1.00 1.22 H new ATOM 0 HD13 ILE A 3 -8.466 2.926 -1.743 1.00 1.22 H new ATOM 50 N THR A 4 -12.614 4.223 -1.514 1.00 0.69 N ATOM 51 CA THR A 4 -13.323 3.885 -2.708 1.00 0.97 C ATOM 52 C THR A 4 -14.328 4.968 -3.131 1.00 1.02 C ATOM 53 O THR A 4 -14.936 4.813 -4.188 1.00 1.54 O ATOM 54 CB THR A 4 -14.018 2.549 -2.389 1.00 1.32 C ATOM 55 OG1 THR A 4 -14.550 2.086 -3.580 1.00 1.44 O ATOM 56 CG2 THR A 4 -15.170 2.696 -1.385 1.00 1.82 C ATOM 0 H THR A 4 -12.886 3.622 -0.736 1.00 0.69 H new ATOM 0 HA THR A 4 -12.647 3.804 -3.559 1.00 0.97 H new ATOM 0 HB THR A 4 -13.286 1.875 -1.946 1.00 1.32 H new ATOM 0 HG1 THR A 4 -14.790 2.847 -4.149 1.00 1.44 H new ATOM 0 HG21 THR A 4 -15.619 1.720 -1.201 1.00 1.82 H new ATOM 0 HG22 THR A 4 -14.787 3.101 -0.448 1.00 1.82 H new ATOM 0 HG23 THR A 4 -15.923 3.371 -1.791 1.00 1.82 H new ATOM 64 N ASP A 5 -14.542 5.998 -2.308 1.00 0.88 N ATOM 65 CA ASP A 5 -15.491 7.079 -2.537 1.00 0.96 C ATOM 66 C ASP A 5 -15.002 8.335 -1.799 1.00 1.07 C ATOM 67 O ASP A 5 -15.748 9.001 -1.083 1.00 1.81 O ATOM 68 CB ASP A 5 -16.884 6.621 -2.079 1.00 1.14 C ATOM 69 CG ASP A 5 -17.998 7.559 -2.524 1.00 1.56 C ATOM 70 OD1 ASP A 5 -17.731 8.410 -3.402 1.00 2.31 O ATOM 71 OD2 ASP A 5 -19.114 7.377 -1.994 1.00 2.54 O ATOM 0 H ASP A 5 -14.035 6.101 -1.429 1.00 0.88 H new ATOM 0 HA ASP A 5 -15.562 7.331 -3.595 1.00 0.96 H new ATOM 0 HB2 ASP A 5 -17.079 5.623 -2.472 1.00 1.14 H new ATOM 0 HB3 ASP A 5 -16.895 6.544 -0.992 1.00 1.14 H new ATOM 76 N VAL A 6 -13.697 8.610 -1.919 1.00 0.58 N ATOM 77 CA VAL A 6 -13.017 9.797 -1.412 1.00 0.57 C ATOM 78 C VAL A 6 -12.213 10.430 -2.546 1.00 0.51 C ATOM 79 O VAL A 6 -12.417 11.592 -2.888 1.00 0.57 O ATOM 80 CB VAL A 6 -12.131 9.400 -0.213 1.00 0.63 C ATOM 81 CG1 VAL A 6 -11.039 10.421 0.120 1.00 1.20 C ATOM 82 CG2 VAL A 6 -13.021 9.220 1.013 1.00 1.55 C ATOM 0 H VAL A 6 -13.059 7.975 -2.398 1.00 0.58 H new ATOM 0 HA VAL A 6 -13.734 10.538 -1.059 1.00 0.57 H new ATOM 0 HB VAL A 6 -11.622 8.477 -0.492 1.00 0.63 H new ATOM 0 HG11 VAL A 6 -10.460 10.069 0.974 1.00 1.20 H new ATOM 0 HG12 VAL A 6 -10.380 10.543 -0.740 1.00 1.20 H new ATOM 0 HG13 VAL A 6 -11.499 11.379 0.363 1.00 1.20 H new ATOM 0 HG21 VAL A 6 -12.408 8.939 1.869 1.00 1.55 H new ATOM 0 HG22 VAL A 6 -13.538 10.155 1.228 1.00 1.55 H new ATOM 0 HG23 VAL A 6 -13.754 8.437 0.819 1.00 1.55 H new ATOM 92 N LEU A 7 -11.283 9.659 -3.109 1.00 0.48 N ATOM 93 CA LEU A 7 -10.342 10.097 -4.134 1.00 0.49 C ATOM 94 C LEU A 7 -9.598 8.854 -4.617 1.00 0.50 C ATOM 95 O LEU A 7 -9.540 8.582 -5.814 1.00 0.49 O ATOM 96 CB LEU A 7 -9.431 11.220 -3.584 1.00 0.58 C ATOM 97 CG LEU A 7 -8.046 11.379 -4.246 1.00 0.67 C ATOM 98 CD1 LEU A 7 -7.695 12.857 -4.453 1.00 1.18 C ATOM 99 CD2 LEU A 7 -6.951 10.784 -3.351 1.00 1.29 C ATOM 0 H LEU A 7 -11.162 8.679 -2.854 1.00 0.48 H new ATOM 0 HA LEU A 7 -10.841 10.547 -4.993 1.00 0.49 H new ATOM 0 HB2 LEU A 7 -9.963 12.166 -3.679 1.00 0.58 H new ATOM 0 HB3 LEU A 7 -9.280 11.044 -2.519 1.00 0.58 H new ATOM 0 HG LEU A 7 -8.095 10.862 -5.204 1.00 0.67 H new ATOM 0 HD11 LEU A 7 -6.714 12.936 -4.921 1.00 1.18 H new ATOM 0 HD12 LEU A 7 -8.442 13.322 -5.096 1.00 1.18 H new ATOM 0 HD13 LEU A 7 -7.679 13.366 -3.489 1.00 1.18 H new ATOM 0 HD21 LEU A 7 -5.981 10.905 -3.833 1.00 1.29 H new ATOM 0 HD22 LEU A 7 -6.946 11.300 -2.391 1.00 1.29 H new ATOM 0 HD23 LEU A 7 -7.147 9.724 -3.192 1.00 1.29 H new ATOM 111 N SER A 8 -9.120 8.048 -3.664 1.00 0.61 N ATOM 112 CA SER A 8 -8.314 6.873 -3.920 1.00 0.68 C ATOM 113 C SER A 8 -8.870 5.948 -5.000 1.00 0.66 C ATOM 114 O SER A 8 -8.096 5.323 -5.707 1.00 0.62 O ATOM 115 CB SER A 8 -8.068 6.136 -2.613 1.00 0.79 C ATOM 116 OG SER A 8 -7.803 7.086 -1.596 1.00 0.94 O ATOM 0 H SER A 8 -9.293 8.208 -2.672 1.00 0.61 H new ATOM 0 HA SER A 8 -7.366 7.221 -4.331 1.00 0.68 H new ATOM 0 HB2 SER A 8 -8.938 5.534 -2.350 1.00 0.79 H new ATOM 0 HB3 SER A 8 -7.226 5.451 -2.718 1.00 0.79 H new ATOM 0 HG SER A 8 -7.644 6.622 -0.748 1.00 0.94 H new ATOM 122 N ALA A 9 -10.189 5.839 -5.151 1.00 0.69 N ATOM 123 CA ALA A 9 -10.771 5.057 -6.238 1.00 0.73 C ATOM 124 C ALA A 9 -10.201 5.420 -7.618 1.00 0.72 C ATOM 125 O ALA A 9 -9.952 4.540 -8.441 1.00 0.75 O ATOM 126 CB ALA A 9 -12.287 5.249 -6.233 1.00 0.85 C ATOM 0 H ALA A 9 -10.872 6.281 -4.536 1.00 0.69 H new ATOM 0 HA ALA A 9 -10.512 4.013 -6.063 1.00 0.73 H new ATOM 0 HB1 ALA A 9 -12.730 4.668 -7.042 1.00 0.85 H new ATOM 0 HB2 ALA A 9 -12.693 4.912 -5.279 1.00 0.85 H new ATOM 0 HB3 ALA A 9 -12.521 6.304 -6.374 1.00 0.85 H new ATOM 132 N ASP A 10 -9.991 6.711 -7.882 1.00 0.70 N ATOM 133 CA ASP A 10 -9.411 7.149 -9.144 1.00 0.71 C ATOM 134 C ASP A 10 -7.900 6.879 -9.143 1.00 0.68 C ATOM 135 O ASP A 10 -7.321 6.448 -10.143 1.00 0.66 O ATOM 136 CB ASP A 10 -9.739 8.631 -9.362 1.00 0.80 C ATOM 137 CG ASP A 10 -9.438 9.057 -10.792 1.00 0.89 C ATOM 138 OD1 ASP A 10 -10.071 8.474 -11.699 1.00 2.17 O ATOM 139 OD2 ASP A 10 -8.610 9.978 -10.956 1.00 1.51 O ATOM 0 H ASP A 10 -10.215 7.468 -7.236 1.00 0.70 H new ATOM 0 HA ASP A 10 -9.838 6.588 -9.975 1.00 0.71 H new ATOM 0 HB2 ASP A 10 -10.791 8.810 -9.140 1.00 0.80 H new ATOM 0 HB3 ASP A 10 -9.159 9.240 -8.669 1.00 0.80 H new ATOM 144 N ASP A 11 -7.268 7.066 -7.980 1.00 0.70 N ATOM 145 CA ASP A 11 -5.836 6.872 -7.788 1.00 0.74 C ATOM 146 C ASP A 11 -5.484 5.442 -8.176 1.00 0.58 C ATOM 147 O ASP A 11 -4.566 5.185 -8.960 1.00 0.59 O ATOM 148 CB ASP A 11 -5.435 7.060 -6.313 1.00 0.89 C ATOM 149 CG ASP A 11 -5.661 8.430 -5.691 1.00 1.50 C ATOM 150 OD1 ASP A 11 -6.250 9.306 -6.355 1.00 2.26 O ATOM 151 OD2 ASP A 11 -5.291 8.529 -4.498 1.00 2.59 O ATOM 0 H ASP A 11 -7.751 7.362 -7.132 1.00 0.70 H new ATOM 0 HA ASP A 11 -5.310 7.605 -8.400 1.00 0.74 H new ATOM 0 HB2 ASP A 11 -5.982 6.327 -5.720 1.00 0.89 H new ATOM 0 HB3 ASP A 11 -4.376 6.819 -6.219 1.00 0.89 H new ATOM 156 N ILE A 12 -6.218 4.493 -7.589 1.00 0.54 N ATOM 157 CA ILE A 12 -5.993 3.095 -7.812 1.00 0.52 C ATOM 158 C ILE A 12 -6.210 2.762 -9.284 1.00 0.52 C ATOM 159 O ILE A 12 -5.431 2.002 -9.845 1.00 0.54 O ATOM 160 CB ILE A 12 -6.796 2.210 -6.852 1.00 0.55 C ATOM 161 CG1 ILE A 12 -8.314 2.249 -7.056 1.00 0.56 C ATOM 162 CG2 ILE A 12 -6.383 2.455 -5.393 1.00 0.60 C ATOM 163 CD1 ILE A 12 -9.084 1.313 -6.120 1.00 0.73 C ATOM 0 H ILE A 12 -6.984 4.692 -6.946 1.00 0.54 H new ATOM 0 HA ILE A 12 -4.952 2.868 -7.580 1.00 0.52 H new ATOM 0 HB ILE A 12 -6.530 1.185 -7.108 1.00 0.55 H new ATOM 0 HG12 ILE A 12 -8.666 3.270 -6.905 1.00 0.56 H new ATOM 0 HG13 ILE A 12 -8.540 1.983 -8.089 1.00 0.56 H new ATOM 0 HG21 ILE A 12 -6.970 1.813 -4.736 1.00 0.60 H new ATOM 0 HG22 ILE A 12 -5.324 2.227 -5.272 1.00 0.60 H new ATOM 0 HG23 ILE A 12 -6.562 3.499 -5.135 1.00 0.60 H new ATOM 0 HD11 ILE A 12 -10.152 1.394 -6.322 1.00 0.73 H new ATOM 0 HD12 ILE A 12 -8.760 0.285 -6.286 1.00 0.73 H new ATOM 0 HD13 ILE A 12 -8.888 1.592 -5.085 1.00 0.73 H new ATOM 175 N ALA A 13 -7.219 3.359 -9.926 1.00 0.54 N ATOM 176 CA ALA A 13 -7.439 3.189 -11.358 1.00 0.60 C ATOM 177 C ALA A 13 -6.174 3.540 -12.156 1.00 0.61 C ATOM 178 O ALA A 13 -5.788 2.796 -13.059 1.00 0.66 O ATOM 179 CB ALA A 13 -8.649 4.007 -11.822 1.00 0.65 C ATOM 0 H ALA A 13 -7.898 3.967 -9.469 1.00 0.54 H new ATOM 0 HA ALA A 13 -7.660 2.139 -11.549 1.00 0.60 H new ATOM 0 HB1 ALA A 13 -8.795 3.866 -12.893 1.00 0.65 H new ATOM 0 HB2 ALA A 13 -9.539 3.675 -11.288 1.00 0.65 H new ATOM 0 HB3 ALA A 13 -8.475 5.063 -11.616 1.00 0.65 H new ATOM 185 N ALA A 14 -5.508 4.651 -11.822 1.00 0.59 N ATOM 186 CA ALA A 14 -4.234 4.990 -12.452 1.00 0.62 C ATOM 187 C ALA A 14 -3.174 3.932 -12.140 1.00 0.60 C ATOM 188 O ALA A 14 -2.624 3.318 -13.054 1.00 0.62 O ATOM 189 CB ALA A 14 -3.752 6.383 -12.034 1.00 0.64 C ATOM 0 H ALA A 14 -5.829 5.323 -11.125 1.00 0.59 H new ATOM 0 HA ALA A 14 -4.395 5.007 -13.530 1.00 0.62 H new ATOM 0 HB1 ALA A 14 -2.802 6.601 -12.522 1.00 0.64 H new ATOM 0 HB2 ALA A 14 -4.491 7.128 -12.330 1.00 0.64 H new ATOM 0 HB3 ALA A 14 -3.620 6.413 -10.952 1.00 0.64 H new ATOM 195 N ALA A 15 -2.882 3.715 -10.853 1.00 0.57 N ATOM 196 CA ALA A 15 -1.865 2.783 -10.393 1.00 0.56 C ATOM 197 C ALA A 15 -1.996 1.417 -11.062 1.00 0.60 C ATOM 198 O ALA A 15 -1.020 0.843 -11.547 1.00 0.63 O ATOM 199 CB ALA A 15 -1.965 2.652 -8.872 1.00 0.57 C ATOM 0 H ALA A 15 -3.360 4.196 -10.091 1.00 0.57 H new ATOM 0 HA ALA A 15 -0.886 3.174 -10.669 1.00 0.56 H new ATOM 0 HB1 ALA A 15 -1.206 1.955 -8.516 1.00 0.57 H new ATOM 0 HB2 ALA A 15 -1.806 3.627 -8.412 1.00 0.57 H new ATOM 0 HB3 ALA A 15 -2.954 2.280 -8.603 1.00 0.57 H new ATOM 205 N LEU A 16 -3.233 0.927 -11.105 1.00 0.62 N ATOM 206 CA LEU A 16 -3.619 -0.321 -11.730 1.00 0.66 C ATOM 207 C LEU A 16 -3.054 -0.373 -13.146 1.00 0.68 C ATOM 208 O LEU A 16 -2.504 -1.395 -13.544 1.00 0.73 O ATOM 209 CB LEU A 16 -5.154 -0.451 -11.683 1.00 0.70 C ATOM 210 CG LEU A 16 -5.804 -1.749 -12.199 1.00 1.11 C ATOM 211 CD1 LEU A 16 -5.755 -1.915 -13.722 1.00 2.21 C ATOM 212 CD2 LEU A 16 -5.256 -2.993 -11.494 1.00 2.78 C ATOM 0 H LEU A 16 -4.023 1.416 -10.685 1.00 0.62 H new ATOM 0 HA LEU A 16 -3.206 -1.176 -11.194 1.00 0.66 H new ATOM 0 HB2 LEU A 16 -5.465 -0.315 -10.647 1.00 0.70 H new ATOM 0 HB3 LEU A 16 -5.573 0.378 -12.254 1.00 0.70 H new ATOM 0 HG LEU A 16 -6.858 -1.647 -11.941 1.00 1.11 H new ATOM 0 HD11 LEU A 16 -6.234 -2.854 -14.001 1.00 2.21 H new ATOM 0 HD12 LEU A 16 -6.280 -1.085 -14.196 1.00 2.21 H new ATOM 0 HD13 LEU A 16 -4.717 -1.924 -14.054 1.00 2.21 H new ATOM 0 HD21 LEU A 16 -5.745 -3.882 -11.892 1.00 2.78 H new ATOM 0 HD22 LEU A 16 -4.181 -3.063 -11.663 1.00 2.78 H new ATOM 0 HD23 LEU A 16 -5.451 -2.920 -10.424 1.00 2.78 H new ATOM 224 N GLN A 17 -3.157 0.727 -13.900 1.00 0.69 N ATOM 225 CA GLN A 17 -2.669 0.767 -15.267 1.00 0.74 C ATOM 226 C GLN A 17 -1.183 1.101 -15.350 1.00 0.81 C ATOM 227 O GLN A 17 -0.542 0.674 -16.310 1.00 0.99 O ATOM 228 CB GLN A 17 -3.493 1.726 -16.135 1.00 0.71 C ATOM 229 CG GLN A 17 -4.706 1.020 -16.751 1.00 1.50 C ATOM 230 CD GLN A 17 -5.217 1.796 -17.956 1.00 1.79 C ATOM 231 OE1 GLN A 17 -4.904 1.456 -19.094 1.00 2.25 O ATOM 232 NE2 GLN A 17 -5.978 2.859 -17.724 1.00 2.82 N ATOM 0 H GLN A 17 -3.576 1.599 -13.578 1.00 0.69 H new ATOM 0 HA GLN A 17 -2.793 -0.241 -15.663 1.00 0.74 H new ATOM 0 HB2 GLN A 17 -3.829 2.569 -15.531 1.00 0.71 H new ATOM 0 HB3 GLN A 17 -2.865 2.132 -16.928 1.00 0.71 H new ATOM 0 HG2 GLN A 17 -4.432 0.009 -17.051 1.00 1.50 H new ATOM 0 HG3 GLN A 17 -5.498 0.928 -16.007 1.00 1.50 H new ATOM 0 HE21 GLN A 17 -6.220 3.114 -16.766 1.00 2.82 H new ATOM 0 HE22 GLN A 17 -6.321 3.421 -18.503 1.00 2.82 H new ATOM 241 N GLU A 18 -0.622 1.873 -14.421 1.00 0.77 N ATOM 242 CA GLU A 18 0.797 2.200 -14.502 1.00 0.78 C ATOM 243 C GLU A 18 1.670 0.994 -14.108 1.00 0.78 C ATOM 244 O GLU A 18 2.789 0.862 -14.597 1.00 0.97 O ATOM 245 CB GLU A 18 1.090 3.541 -13.808 1.00 0.79 C ATOM 246 CG GLU A 18 1.421 3.492 -12.309 1.00 0.99 C ATOM 247 CD GLU A 18 2.821 3.985 -11.937 1.00 1.60 C ATOM 248 OE1 GLU A 18 3.476 4.662 -12.764 1.00 2.38 O ATOM 249 OE2 GLU A 18 3.221 3.729 -10.783 1.00 2.43 O ATOM 0 H GLU A 18 -1.115 2.274 -13.623 1.00 0.77 H new ATOM 0 HA GLU A 18 1.089 2.384 -15.536 1.00 0.78 H new ATOM 0 HB2 GLU A 18 1.925 4.014 -14.324 1.00 0.79 H new ATOM 0 HB3 GLU A 18 0.224 4.189 -13.943 1.00 0.79 H new ATOM 0 HG2 GLU A 18 0.687 4.091 -11.771 1.00 0.99 H new ATOM 0 HG3 GLU A 18 1.310 2.465 -11.962 1.00 0.99 H new ATOM 256 N CYS A 19 1.130 0.078 -13.289 1.00 0.65 N ATOM 257 CA CYS A 19 1.788 -1.150 -12.856 1.00 0.69 C ATOM 258 C CYS A 19 0.874 -2.356 -13.117 1.00 0.66 C ATOM 259 O CYS A 19 0.730 -3.208 -12.241 1.00 0.75 O ATOM 260 CB CYS A 19 2.136 -1.057 -11.358 1.00 0.84 C ATOM 261 SG CYS A 19 3.358 0.237 -11.024 1.00 1.42 S ATOM 0 H CYS A 19 0.192 0.182 -12.901 1.00 0.65 H new ATOM 0 HA CYS A 19 2.709 -1.281 -13.424 1.00 0.69 H new ATOM 0 HB2 CYS A 19 1.230 -0.856 -10.787 1.00 0.84 H new ATOM 0 HB3 CYS A 19 2.522 -2.017 -11.015 1.00 0.84 H new ATOM 0 HG CYS A 19 4.555 -0.255 -11.144 1.00 1.42 H new ATOM 267 N ARG A 20 0.264 -2.466 -14.308 1.00 0.74 N ATOM 268 CA ARG A 20 -0.466 -3.695 -14.645 1.00 0.78 C ATOM 269 C ARG A 20 0.530 -4.807 -14.940 1.00 0.65 C ATOM 270 O ARG A 20 0.322 -5.966 -14.585 1.00 0.70 O ATOM 271 CB ARG A 20 -1.496 -3.548 -15.787 1.00 1.12 C ATOM 272 CG ARG A 20 -0.999 -3.387 -17.236 1.00 1.55 C ATOM 273 CD ARG A 20 -0.702 -1.929 -17.575 1.00 2.94 C ATOM 274 NE ARG A 20 -0.437 -1.746 -19.008 1.00 4.21 N ATOM 275 CZ ARG A 20 -0.687 -0.606 -19.670 1.00 5.56 C ATOM 276 NH1 ARG A 20 -0.919 0.520 -18.988 1.00 6.26 N ATOM 277 NH2 ARG A 20 -0.725 -0.597 -21.007 1.00 6.56 N ATOM 0 H ARG A 20 0.260 -1.746 -15.030 1.00 0.74 H new ATOM 0 HA ARG A 20 -1.068 -3.945 -13.771 1.00 0.78 H new ATOM 0 HB2 ARG A 20 -2.144 -4.424 -15.759 1.00 1.12 H new ATOM 0 HB3 ARG A 20 -2.119 -2.684 -15.557 1.00 1.12 H new ATOM 0 HG2 ARG A 20 -0.099 -3.984 -17.380 1.00 1.55 H new ATOM 0 HG3 ARG A 20 -1.751 -3.774 -17.923 1.00 1.55 H new ATOM 0 HD2 ARG A 20 -1.547 -1.307 -17.279 1.00 2.94 H new ATOM 0 HD3 ARG A 20 0.160 -1.590 -17.000 1.00 2.94 H new ATOM 0 HE ARG A 20 -0.041 -2.529 -19.529 1.00 4.21 H new ATOM 0 HH11 ARG A 20 -0.906 0.510 -17.968 1.00 6.26 H new ATOM 0 HH12 ARG A 20 -1.109 1.389 -19.487 1.00 6.26 H new ATOM 0 HH21 ARG A 20 -0.564 -1.459 -21.528 1.00 6.56 H new ATOM 0 HH22 ARG A 20 -0.915 0.272 -21.506 1.00 6.56 H new ATOM 291 N ASP A 21 1.599 -4.437 -15.644 1.00 0.75 N ATOM 292 CA ASP A 21 2.587 -5.345 -16.180 1.00 0.81 C ATOM 293 C ASP A 21 3.253 -6.070 -15.009 1.00 0.73 C ATOM 294 O ASP A 21 3.594 -5.427 -14.010 1.00 0.60 O ATOM 295 CB ASP A 21 3.574 -4.529 -17.027 1.00 0.95 C ATOM 296 CG ASP A 21 2.850 -3.630 -18.022 1.00 1.67 C ATOM 297 OD1 ASP A 21 2.285 -2.626 -17.535 1.00 3.06 O ATOM 298 OD2 ASP A 21 2.798 -3.983 -19.218 1.00 1.91 O ATOM 0 H ASP A 21 1.799 -3.460 -15.859 1.00 0.75 H new ATOM 0 HA ASP A 21 2.150 -6.105 -16.828 1.00 0.81 H new ATOM 0 HB2 ASP A 21 4.198 -3.920 -16.373 1.00 0.95 H new ATOM 0 HB3 ASP A 21 4.239 -5.205 -17.564 1.00 0.95 H new ATOM 303 N PRO A 22 3.419 -7.398 -15.085 1.00 0.91 N ATOM 304 CA PRO A 22 3.925 -8.172 -13.971 1.00 0.96 C ATOM 305 C PRO A 22 5.320 -7.683 -13.595 1.00 0.97 C ATOM 306 O PRO A 22 6.099 -7.307 -14.467 1.00 1.33 O ATOM 307 CB PRO A 22 3.927 -9.629 -14.443 1.00 1.18 C ATOM 308 CG PRO A 22 4.037 -9.505 -15.962 1.00 1.27 C ATOM 309 CD PRO A 22 3.243 -8.233 -16.259 1.00 1.11 C ATOM 0 HA PRO A 22 3.314 -8.068 -13.074 1.00 0.96 H new ATOM 0 HB2 PRO A 22 4.764 -10.187 -14.023 1.00 1.18 H new ATOM 0 HB3 PRO A 22 3.016 -10.149 -14.147 1.00 1.18 H new ATOM 0 HG2 PRO A 22 5.074 -9.419 -16.286 1.00 1.27 H new ATOM 0 HG3 PRO A 22 3.615 -10.372 -16.470 1.00 1.27 H new ATOM 0 HD2 PRO A 22 3.614 -7.737 -17.156 1.00 1.11 H new ATOM 0 HD3 PRO A 22 2.190 -8.456 -16.431 1.00 1.11 H new ATOM 317 N ASP A 23 5.614 -7.669 -12.296 1.00 0.75 N ATOM 318 CA ASP A 23 6.944 -7.437 -11.771 1.00 0.82 C ATOM 319 C ASP A 23 7.395 -5.982 -11.992 1.00 0.72 C ATOM 320 O ASP A 23 8.588 -5.688 -11.935 1.00 0.94 O ATOM 321 CB ASP A 23 7.927 -8.542 -12.213 1.00 1.10 C ATOM 322 CG ASP A 23 7.329 -9.954 -12.320 1.00 2.30 C ATOM 323 OD1 ASP A 23 6.334 -10.259 -11.619 1.00 3.32 O ATOM 324 OD2 ASP A 23 7.878 -10.729 -13.132 1.00 3.25 O ATOM 0 H ASP A 23 4.914 -7.823 -11.570 1.00 0.75 H new ATOM 0 HA ASP A 23 6.928 -7.532 -10.685 1.00 0.82 H new ATOM 0 HB2 ASP A 23 8.343 -8.268 -13.183 1.00 1.10 H new ATOM 0 HB3 ASP A 23 8.757 -8.570 -11.507 1.00 1.10 H new ATOM 329 N THR A 24 6.433 -5.060 -12.186 1.00 0.55 N ATOM 330 CA THR A 24 6.668 -3.631 -12.422 1.00 0.47 C ATOM 331 C THR A 24 6.146 -2.760 -11.269 1.00 0.61 C ATOM 332 O THR A 24 6.044 -1.544 -11.413 1.00 0.95 O ATOM 333 CB THR A 24 5.992 -3.202 -13.742 1.00 0.48 C ATOM 334 OG1 THR A 24 6.013 -4.258 -14.669 1.00 0.60 O ATOM 335 CG2 THR A 24 6.667 -2.002 -14.413 1.00 0.70 C ATOM 0 H THR A 24 5.442 -5.301 -12.182 1.00 0.55 H new ATOM 0 HA THR A 24 7.746 -3.483 -12.487 1.00 0.47 H new ATOM 0 HB THR A 24 4.975 -2.922 -13.466 1.00 0.48 H new ATOM 0 HG1 THR A 24 5.277 -4.876 -14.477 1.00 0.60 H new ATOM 0 HG21 THR A 24 6.139 -1.756 -15.335 1.00 0.70 H new ATOM 0 HG22 THR A 24 6.639 -1.145 -13.739 1.00 0.70 H new ATOM 0 HG23 THR A 24 7.703 -2.249 -14.643 1.00 0.70 H new ATOM 343 N PHE A 25 5.769 -3.356 -10.135 1.00 0.54 N ATOM 344 CA PHE A 25 5.270 -2.589 -9.002 1.00 0.60 C ATOM 345 C PHE A 25 6.473 -2.114 -8.192 1.00 0.66 C ATOM 346 O PHE A 25 7.170 -2.942 -7.604 1.00 1.03 O ATOM 347 CB PHE A 25 4.323 -3.447 -8.156 1.00 0.76 C ATOM 348 CG PHE A 25 3.329 -2.688 -7.298 1.00 0.98 C ATOM 349 CD1 PHE A 25 3.772 -1.918 -6.206 1.00 1.76 C ATOM 350 CD2 PHE A 25 1.948 -2.870 -7.508 1.00 1.90 C ATOM 351 CE1 PHE A 25 2.838 -1.358 -5.320 1.00 2.22 C ATOM 352 CE2 PHE A 25 1.022 -2.371 -6.577 1.00 2.28 C ATOM 353 CZ PHE A 25 1.471 -1.650 -5.460 1.00 2.10 C ATOM 0 H PHE A 25 5.801 -4.364 -9.982 1.00 0.54 H new ATOM 0 HA PHE A 25 4.698 -1.725 -9.342 1.00 0.60 H new ATOM 0 HB2 PHE A 25 3.768 -4.107 -8.823 1.00 0.76 H new ATOM 0 HB3 PHE A 25 4.924 -4.083 -7.506 1.00 0.76 H new ATOM 0 HD1 PHE A 25 4.829 -1.758 -6.050 1.00 1.76 H new ATOM 0 HD2 PHE A 25 1.601 -3.394 -8.386 1.00 1.90 H new ATOM 0 HE1 PHE A 25 3.171 -0.702 -4.530 1.00 2.22 H new ATOM 0 HE2 PHE A 25 -0.035 -2.542 -6.721 1.00 2.28 H new ATOM 0 HZ PHE A 25 0.767 -1.320 -4.710 1.00 2.10 H new ATOM 363 N GLU A 26 6.701 -0.799 -8.146 1.00 0.59 N ATOM 364 CA GLU A 26 7.730 -0.173 -7.326 1.00 0.61 C ATOM 365 C GLU A 26 7.068 0.625 -6.196 1.00 0.50 C ATOM 366 O GLU A 26 5.962 1.140 -6.374 1.00 0.44 O ATOM 367 CB GLU A 26 8.617 0.728 -8.195 1.00 0.74 C ATOM 368 CG GLU A 26 9.850 -0.004 -8.721 1.00 1.14 C ATOM 369 CD GLU A 26 10.676 0.950 -9.572 1.00 1.76 C ATOM 370 OE1 GLU A 26 10.256 1.184 -10.723 1.00 2.76 O ATOM 371 OE2 GLU A 26 11.674 1.469 -9.028 1.00 2.38 O ATOM 0 H GLU A 26 6.160 -0.128 -8.692 1.00 0.59 H new ATOM 0 HA GLU A 26 8.364 -0.941 -6.882 1.00 0.61 H new ATOM 0 HB2 GLU A 26 8.035 1.105 -9.036 1.00 0.74 H new ATOM 0 HB3 GLU A 26 8.932 1.594 -7.613 1.00 0.74 H new ATOM 0 HG2 GLU A 26 10.447 -0.378 -7.890 1.00 1.14 H new ATOM 0 HG3 GLU A 26 9.549 -0.869 -9.312 1.00 1.14 H new ATOM 378 N PRO A 27 7.729 0.735 -5.032 1.00 0.53 N ATOM 379 CA PRO A 27 7.158 1.345 -3.844 1.00 0.52 C ATOM 380 C PRO A 27 6.901 2.840 -4.046 1.00 0.47 C ATOM 381 O PRO A 27 5.749 3.249 -4.175 1.00 0.43 O ATOM 382 CB PRO A 27 8.150 1.062 -2.714 1.00 0.59 C ATOM 383 CG PRO A 27 9.474 0.737 -3.408 1.00 0.69 C ATOM 384 CD PRO A 27 9.051 0.191 -4.765 1.00 0.64 C ATOM 0 HA PRO A 27 6.179 0.928 -3.607 1.00 0.52 H new ATOM 0 HB2 PRO A 27 8.253 1.925 -2.056 1.00 0.59 H new ATOM 0 HB3 PRO A 27 7.815 0.229 -2.097 1.00 0.59 H new ATOM 0 HG2 PRO A 27 10.099 1.624 -3.511 1.00 0.69 H new ATOM 0 HG3 PRO A 27 10.051 0.004 -2.845 1.00 0.69 H new ATOM 0 HD2 PRO A 27 9.757 0.488 -5.540 1.00 0.64 H new ATOM 0 HD3 PRO A 27 9.028 -0.899 -4.755 1.00 0.64 H new ATOM 392 N GLN A 28 7.962 3.658 -4.062 1.00 0.53 N ATOM 393 CA GLN A 28 7.900 5.098 -4.239 1.00 0.56 C ATOM 394 C GLN A 28 7.037 5.460 -5.454 1.00 0.53 C ATOM 395 O GLN A 28 6.193 6.355 -5.403 1.00 0.56 O ATOM 396 CB GLN A 28 9.335 5.641 -4.382 1.00 0.69 C ATOM 397 CG GLN A 28 9.535 6.814 -3.422 1.00 0.96 C ATOM 398 CD GLN A 28 10.806 7.614 -3.706 1.00 1.32 C ATOM 399 OE1 GLN A 28 11.274 7.675 -4.838 1.00 2.54 O ATOM 400 NE2 GLN A 28 11.390 8.229 -2.682 1.00 1.52 N ATOM 0 H GLN A 28 8.915 3.314 -3.947 1.00 0.53 H new ATOM 0 HA GLN A 28 7.431 5.558 -3.369 1.00 0.56 H new ATOM 0 HB2 GLN A 28 10.056 4.853 -4.165 1.00 0.69 H new ATOM 0 HB3 GLN A 28 9.513 5.963 -5.408 1.00 0.69 H new ATOM 0 HG2 GLN A 28 8.673 7.478 -3.486 1.00 0.96 H new ATOM 0 HG3 GLN A 28 9.572 6.437 -2.400 1.00 0.96 H new ATOM 0 HE21 GLN A 28 10.983 8.165 -1.749 1.00 1.52 H new ATOM 0 HE22 GLN A 28 12.245 8.765 -2.830 1.00 1.52 H new ATOM 409 N LYS A 29 7.252 4.714 -6.537 1.00 0.55 N ATOM 410 CA LYS A 29 6.514 4.793 -7.782 1.00 0.58 C ATOM 411 C LYS A 29 5.004 4.708 -7.517 1.00 0.52 C ATOM 412 O LYS A 29 4.290 5.683 -7.745 1.00 0.60 O ATOM 413 CB LYS A 29 7.049 3.668 -8.676 1.00 0.69 C ATOM 414 CG LYS A 29 6.495 3.559 -10.097 1.00 0.95 C ATOM 415 CD LYS A 29 6.809 4.761 -10.998 1.00 1.17 C ATOM 416 CE LYS A 29 5.786 5.901 -10.863 1.00 2.15 C ATOM 417 NZ LYS A 29 5.334 6.381 -12.183 1.00 2.80 N ATOM 0 H LYS A 29 7.984 4.004 -6.564 1.00 0.55 H new ATOM 0 HA LYS A 29 6.656 5.747 -8.289 1.00 0.58 H new ATOM 0 HB2 LYS A 29 8.131 3.783 -8.747 1.00 0.69 H new ATOM 0 HB3 LYS A 29 6.861 2.721 -8.170 1.00 0.69 H new ATOM 0 HG2 LYS A 29 6.897 2.658 -10.562 1.00 0.95 H new ATOM 0 HG3 LYS A 29 5.413 3.435 -10.043 1.00 0.95 H new ATOM 0 HD2 LYS A 29 7.801 5.141 -10.754 1.00 1.17 H new ATOM 0 HD3 LYS A 29 6.841 4.431 -12.036 1.00 1.17 H new ATOM 0 HE2 LYS A 29 4.928 5.555 -10.287 1.00 2.15 H new ATOM 0 HE3 LYS A 29 6.231 6.726 -10.307 1.00 2.15 H new ATOM 0 HZ1 LYS A 29 4.795 7.263 -12.066 1.00 2.80 H new ATOM 0 HZ2 LYS A 29 6.160 6.558 -12.789 1.00 2.80 H new ATOM 0 HZ3 LYS A 29 4.728 5.661 -12.625 1.00 2.80 H new ATOM 431 N PHE A 30 4.517 3.572 -7.004 1.00 0.45 N ATOM 432 CA PHE A 30 3.098 3.371 -6.713 1.00 0.47 C ATOM 433 C PHE A 30 2.584 4.429 -5.728 1.00 0.49 C ATOM 434 O PHE A 30 1.499 4.995 -5.862 1.00 0.52 O ATOM 435 CB PHE A 30 2.896 1.963 -6.143 1.00 0.51 C ATOM 436 CG PHE A 30 1.466 1.652 -5.742 1.00 0.68 C ATOM 437 CD1 PHE A 30 0.581 1.090 -6.679 1.00 1.93 C ATOM 438 CD2 PHE A 30 1.031 1.883 -4.422 1.00 1.73 C ATOM 439 CE1 PHE A 30 -0.720 0.726 -6.291 1.00 2.01 C ATOM 440 CE2 PHE A 30 -0.283 1.551 -4.045 1.00 1.86 C ATOM 441 CZ PHE A 30 -1.157 0.969 -4.977 1.00 1.12 C ATOM 0 H PHE A 30 5.100 2.766 -6.779 1.00 0.45 H new ATOM 0 HA PHE A 30 2.528 3.475 -7.636 1.00 0.47 H new ATOM 0 HB2 PHE A 30 3.220 1.233 -6.885 1.00 0.51 H new ATOM 0 HB3 PHE A 30 3.540 1.840 -5.272 1.00 0.51 H new ATOM 0 HD1 PHE A 30 0.902 0.938 -7.699 1.00 1.93 H new ATOM 0 HD2 PHE A 30 1.707 2.315 -3.699 1.00 1.73 H new ATOM 0 HE1 PHE A 30 -1.385 0.259 -7.003 1.00 2.01 H new ATOM 0 HE2 PHE A 30 -0.620 1.744 -3.037 1.00 1.86 H new ATOM 0 HZ PHE A 30 -2.164 0.708 -4.685 1.00 1.12 H new ATOM 451 N PHE A 31 3.378 4.693 -4.700 1.00 0.53 N ATOM 452 CA PHE A 31 3.086 5.682 -3.679 1.00 0.58 C ATOM 453 C PHE A 31 2.745 7.058 -4.285 1.00 0.64 C ATOM 454 O PHE A 31 1.711 7.658 -3.975 1.00 0.75 O ATOM 455 CB PHE A 31 4.299 5.699 -2.749 1.00 0.77 C ATOM 456 CG PHE A 31 4.487 6.967 -1.978 1.00 1.48 C ATOM 457 CD1 PHE A 31 3.436 7.405 -1.172 1.00 2.56 C ATOM 458 CD2 PHE A 31 5.633 7.766 -2.152 1.00 3.12 C ATOM 459 CE1 PHE A 31 3.543 8.633 -0.522 1.00 4.05 C ATOM 460 CE2 PHE A 31 5.794 8.923 -1.375 1.00 4.44 C ATOM 461 CZ PHE A 31 4.770 9.306 -0.496 1.00 4.65 C ATOM 0 H PHE A 31 4.265 4.212 -4.552 1.00 0.53 H new ATOM 0 HA PHE A 31 2.190 5.425 -3.114 1.00 0.58 H new ATOM 0 HB2 PHE A 31 4.209 4.873 -2.044 1.00 0.77 H new ATOM 0 HB3 PHE A 31 5.195 5.516 -3.342 1.00 0.77 H new ATOM 0 HD1 PHE A 31 2.550 6.799 -1.053 1.00 2.56 H new ATOM 0 HD2 PHE A 31 6.383 7.490 -2.879 1.00 3.12 H new ATOM 0 HE1 PHE A 31 2.679 9.065 -0.038 1.00 4.05 H new ATOM 0 HE2 PHE A 31 6.696 9.512 -1.453 1.00 4.44 H new ATOM 0 HZ PHE A 31 4.928 10.118 0.199 1.00 4.65 H new ATOM 471 N GLN A 32 3.601 7.562 -5.172 1.00 0.67 N ATOM 472 CA GLN A 32 3.364 8.815 -5.863 1.00 0.85 C ATOM 473 C GLN A 32 2.267 8.655 -6.909 1.00 0.99 C ATOM 474 O GLN A 32 1.493 9.590 -7.100 1.00 1.37 O ATOM 475 CB GLN A 32 4.660 9.347 -6.486 1.00 0.97 C ATOM 476 CG GLN A 32 5.450 10.155 -5.452 1.00 2.05 C ATOM 477 CD GLN A 32 6.772 10.660 -6.017 1.00 2.47 C ATOM 478 OE1 GLN A 32 7.841 10.308 -5.533 1.00 3.81 O ATOM 479 NE2 GLN A 32 6.715 11.486 -7.060 1.00 2.06 N ATOM 0 H GLN A 32 4.478 7.108 -5.428 1.00 0.67 H new ATOM 0 HA GLN A 32 3.022 9.550 -5.134 1.00 0.85 H new ATOM 0 HB2 GLN A 32 5.265 8.516 -6.849 1.00 0.97 H new ATOM 0 HB3 GLN A 32 4.428 9.973 -7.348 1.00 0.97 H new ATOM 0 HG2 GLN A 32 4.851 11.002 -5.118 1.00 2.05 H new ATOM 0 HG3 GLN A 32 5.642 9.535 -4.576 1.00 2.05 H new ATOM 0 HE21 GLN A 32 5.811 11.763 -7.443 1.00 2.06 H new ATOM 0 HE22 GLN A 32 7.575 11.842 -7.476 1.00 2.06 H new ATOM 488 N THR A 33 2.188 7.512 -7.601 1.00 0.77 N ATOM 489 CA THR A 33 1.211 7.350 -8.650 1.00 0.85 C ATOM 490 C THR A 33 -0.198 7.406 -8.093 1.00 1.02 C ATOM 491 O THR A 33 -1.079 7.979 -8.728 1.00 1.37 O ATOM 492 CB THR A 33 1.420 6.070 -9.474 1.00 0.57 C ATOM 493 OG1 THR A 33 0.947 6.440 -10.733 1.00 0.51 O ATOM 494 CG2 THR A 33 0.591 4.852 -9.053 1.00 0.47 C ATOM 0 H THR A 33 2.788 6.702 -7.446 1.00 0.77 H new ATOM 0 HA THR A 33 1.353 8.187 -9.333 1.00 0.85 H new ATOM 0 HB THR A 33 2.461 5.759 -9.380 1.00 0.57 H new ATOM 0 HG1 THR A 33 1.668 6.356 -11.391 1.00 0.51 H new ATOM 0 HG21 THR A 33 0.823 4.011 -9.706 1.00 0.47 H new ATOM 0 HG22 THR A 33 0.829 4.588 -8.023 1.00 0.47 H new ATOM 0 HG23 THR A 33 -0.470 5.090 -9.131 1.00 0.47 H new ATOM 502 N SER A 34 -0.408 6.771 -6.940 1.00 0.87 N ATOM 503 CA SER A 34 -1.676 6.874 -6.263 1.00 1.22 C ATOM 504 C SER A 34 -1.865 8.349 -5.901 1.00 1.74 C ATOM 505 O SER A 34 -2.872 8.958 -6.229 1.00 2.90 O ATOM 506 CB SER A 34 -1.719 5.939 -5.047 1.00 1.29 C ATOM 507 OG SER A 34 -0.547 6.050 -4.263 1.00 2.69 O ATOM 0 H SER A 34 0.284 6.188 -6.468 1.00 0.87 H new ATOM 0 HA SER A 34 -2.502 6.553 -6.897 1.00 1.22 H new ATOM 0 HB2 SER A 34 -2.590 6.176 -4.436 1.00 1.29 H new ATOM 0 HB3 SER A 34 -1.836 4.909 -5.383 1.00 1.29 H new ATOM 0 HG SER A 34 0.186 5.568 -4.700 1.00 2.69 H new ATOM 513 N GLY A 35 -0.846 8.940 -5.275 1.00 1.28 N ATOM 514 CA GLY A 35 -0.886 10.311 -4.803 1.00 1.72 C ATOM 515 C GLY A 35 -1.115 10.327 -3.299 1.00 1.27 C ATOM 516 O GLY A 35 -1.457 11.361 -2.726 1.00 1.21 O ATOM 0 H GLY A 35 0.038 8.468 -5.083 1.00 1.28 H new ATOM 0 HA2 GLY A 35 0.049 10.817 -5.044 1.00 1.72 H new ATOM 0 HA3 GLY A 35 -1.683 10.857 -5.308 1.00 1.72 H new ATOM 520 N LEU A 36 -0.821 9.211 -2.625 1.00 1.08 N ATOM 521 CA LEU A 36 -0.772 9.190 -1.176 1.00 1.01 C ATOM 522 C LEU A 36 0.292 10.182 -0.677 1.00 0.97 C ATOM 523 O LEU A 36 0.159 10.711 0.418 1.00 0.99 O ATOM 524 CB LEU A 36 -0.506 7.769 -0.672 1.00 0.94 C ATOM 525 CG LEU A 36 -1.559 6.726 -1.076 1.00 1.11 C ATOM 526 CD1 LEU A 36 -0.971 5.323 -0.880 1.00 1.37 C ATOM 527 CD2 LEU A 36 -2.837 6.861 -0.240 1.00 1.46 C ATOM 0 H LEU A 36 -0.615 8.315 -3.067 1.00 1.08 H new ATOM 0 HA LEU A 36 -1.737 9.502 -0.775 1.00 1.01 H new ATOM 0 HB2 LEU A 36 0.466 7.444 -1.044 1.00 0.94 H new ATOM 0 HB3 LEU A 36 -0.439 7.793 0.416 1.00 0.94 H new ATOM 0 HG LEU A 36 -1.822 6.891 -2.121 1.00 1.11 H new ATOM 0 HD11 LEU A 36 -1.711 4.575 -1.164 1.00 1.37 H new ATOM 0 HD12 LEU A 36 -0.084 5.210 -1.503 1.00 1.37 H new ATOM 0 HD13 LEU A 36 -0.700 5.185 0.167 1.00 1.37 H new ATOM 0 HD21 LEU A 36 -3.559 6.107 -0.554 1.00 1.46 H new ATOM 0 HD22 LEU A 36 -2.599 6.719 0.814 1.00 1.46 H new ATOM 0 HD23 LEU A 36 -3.263 7.854 -0.385 1.00 1.46 H new ATOM 539 N SER A 37 1.303 10.498 -1.504 1.00 0.98 N ATOM 540 CA SER A 37 2.308 11.525 -1.199 1.00 1.04 C ATOM 541 C SER A 37 1.646 12.897 -1.054 1.00 1.09 C ATOM 542 O SER A 37 2.183 13.785 -0.395 1.00 1.18 O ATOM 543 CB SER A 37 3.368 11.547 -2.318 1.00 1.18 C ATOM 544 OG SER A 37 4.463 12.408 -2.042 1.00 2.41 O ATOM 0 H SER A 37 1.445 10.045 -2.407 1.00 0.98 H new ATOM 0 HA SER A 37 2.792 11.286 -0.252 1.00 1.04 H new ATOM 0 HB2 SER A 37 3.742 10.535 -2.474 1.00 1.18 H new ATOM 0 HB3 SER A 37 2.896 11.859 -3.249 1.00 1.18 H new ATOM 0 HG SER A 37 4.961 12.067 -1.270 1.00 2.41 H new ATOM 550 N LYS A 38 0.482 13.085 -1.684 1.00 1.08 N ATOM 551 CA LYS A 38 -0.267 14.322 -1.605 1.00 1.16 C ATOM 552 C LYS A 38 -1.284 14.239 -0.474 1.00 1.00 C ATOM 553 O LYS A 38 -1.700 15.274 0.046 1.00 0.98 O ATOM 554 CB LYS A 38 -0.930 14.638 -2.958 1.00 1.40 C ATOM 555 CG LYS A 38 -0.647 16.078 -3.411 1.00 1.66 C ATOM 556 CD LYS A 38 0.822 16.254 -3.839 1.00 3.07 C ATOM 557 CE LYS A 38 1.153 17.714 -4.194 1.00 3.66 C ATOM 558 NZ LYS A 38 1.169 17.956 -5.651 1.00 4.29 N ATOM 0 H LYS A 38 0.039 12.373 -2.264 1.00 1.08 H new ATOM 0 HA LYS A 38 0.413 15.144 -1.382 1.00 1.16 H new ATOM 0 HB2 LYS A 38 -0.565 13.941 -3.713 1.00 1.40 H new ATOM 0 HB3 LYS A 38 -2.007 14.487 -2.879 1.00 1.40 H new ATOM 0 HG2 LYS A 38 -1.303 16.335 -4.243 1.00 1.66 H new ATOM 0 HG3 LYS A 38 -0.876 16.768 -2.599 1.00 1.66 H new ATOM 0 HD2 LYS A 38 1.476 15.921 -3.033 1.00 3.07 H new ATOM 0 HD3 LYS A 38 1.027 15.617 -4.700 1.00 3.07 H new ATOM 0 HE2 LYS A 38 0.419 18.372 -3.728 1.00 3.66 H new ATOM 0 HE3 LYS A 38 2.125 17.974 -3.776 1.00 3.66 H new ATOM 0 HZ1 LYS A 38 1.397 18.954 -5.835 1.00 4.29 H new ATOM 0 HZ2 LYS A 38 1.887 17.349 -6.096 1.00 4.29 H new ATOM 0 HZ3 LYS A 38 0.234 17.735 -6.050 1.00 4.29 H new ATOM 572 N MET A 39 -1.706 13.026 -0.098 1.00 0.96 N ATOM 573 CA MET A 39 -2.612 12.887 1.023 1.00 0.91 C ATOM 574 C MET A 39 -1.933 13.287 2.334 1.00 0.95 C ATOM 575 O MET A 39 -0.740 13.073 2.534 1.00 1.87 O ATOM 576 CB MET A 39 -3.177 11.473 1.081 1.00 0.81 C ATOM 577 CG MET A 39 -4.257 11.200 0.025 1.00 1.06 C ATOM 578 SD MET A 39 -5.912 11.911 0.298 1.00 2.44 S ATOM 579 CE MET A 39 -5.804 13.572 -0.416 1.00 3.83 C ATOM 0 H MET A 39 -1.436 12.151 -0.548 1.00 0.96 H new ATOM 0 HA MET A 39 -3.449 13.570 0.878 1.00 0.91 H new ATOM 0 HB2 MET A 39 -2.363 10.760 0.949 1.00 0.81 H new ATOM 0 HB3 MET A 39 -3.597 11.299 2.072 1.00 0.81 H new ATOM 0 HG2 MET A 39 -3.889 11.567 -0.933 1.00 1.06 H new ATOM 0 HG3 MET A 39 -4.368 10.120 -0.069 1.00 1.06 H new ATOM 0 HE1 MET A 39 -6.743 13.816 -0.912 1.00 3.83 H new ATOM 0 HE2 MET A 39 -5.613 14.297 0.376 1.00 3.83 H new ATOM 0 HE3 MET A 39 -4.991 13.604 -1.141 1.00 3.83 H new ATOM 589 N SER A 40 -2.711 13.891 3.235 1.00 0.68 N ATOM 590 CA SER A 40 -2.208 14.314 4.529 1.00 0.66 C ATOM 591 C SER A 40 -2.033 13.093 5.433 1.00 0.53 C ATOM 592 O SER A 40 -2.725 12.087 5.268 1.00 0.44 O ATOM 593 CB SER A 40 -3.171 15.327 5.157 1.00 0.74 C ATOM 594 OG SER A 40 -2.546 15.979 6.245 1.00 2.02 O ATOM 0 H SER A 40 -3.699 14.096 3.083 1.00 0.68 H new ATOM 0 HA SER A 40 -1.239 14.797 4.406 1.00 0.66 H new ATOM 0 HB2 SER A 40 -3.478 16.060 4.411 1.00 0.74 H new ATOM 0 HB3 SER A 40 -4.074 14.820 5.496 1.00 0.74 H new ATOM 0 HG SER A 40 -3.168 16.626 6.640 1.00 2.02 H new ATOM 600 N ALA A 41 -1.154 13.217 6.432 1.00 0.60 N ATOM 601 CA ALA A 41 -0.905 12.195 7.438 1.00 0.52 C ATOM 602 C ALA A 41 -2.212 11.614 7.980 1.00 0.44 C ATOM 603 O ALA A 41 -2.331 10.402 8.123 1.00 0.42 O ATOM 604 CB ALA A 41 -0.069 12.787 8.575 1.00 0.58 C ATOM 0 H ALA A 41 -0.585 14.054 6.562 1.00 0.60 H new ATOM 0 HA ALA A 41 -0.354 11.379 6.971 1.00 0.52 H new ATOM 0 HB1 ALA A 41 0.117 12.020 9.327 1.00 0.58 H new ATOM 0 HB2 ALA A 41 0.882 13.145 8.179 1.00 0.58 H new ATOM 0 HB3 ALA A 41 -0.609 13.618 9.029 1.00 0.58 H new ATOM 610 N ASN A 42 -3.194 12.481 8.257 1.00 0.48 N ATOM 611 CA ASN A 42 -4.533 12.079 8.687 1.00 0.48 C ATOM 612 C ASN A 42 -5.101 11.011 7.750 1.00 0.41 C ATOM 613 O ASN A 42 -5.337 9.877 8.158 1.00 0.47 O ATOM 614 CB ASN A 42 -5.467 13.306 8.737 1.00 0.60 C ATOM 615 CG ASN A 42 -5.792 13.741 10.163 1.00 1.59 C ATOM 616 OD1 ASN A 42 -6.953 13.824 10.545 1.00 2.87 O ATOM 617 ND2 ASN A 42 -4.774 14.038 10.965 1.00 2.51 N ATOM 0 H ASN A 42 -3.077 13.492 8.187 1.00 0.48 H new ATOM 0 HA ASN A 42 -4.463 11.653 9.688 1.00 0.48 H new ATOM 0 HB2 ASN A 42 -4.999 14.135 8.206 1.00 0.60 H new ATOM 0 HB3 ASN A 42 -6.394 13.074 8.212 1.00 0.60 H new ATOM 0 HD21 ASN A 42 -4.951 14.343 11.922 1.00 2.51 H new ATOM 0 HD22 ASN A 42 -3.816 13.961 10.623 1.00 2.51 H new ATOM 624 N GLN A 43 -5.288 11.377 6.478 1.00 0.41 N ATOM 625 CA GLN A 43 -5.833 10.483 5.469 1.00 0.44 C ATOM 626 C GLN A 43 -4.986 9.215 5.385 1.00 0.40 C ATOM 627 O GLN A 43 -5.529 8.117 5.393 1.00 0.43 O ATOM 628 CB GLN A 43 -5.939 11.205 4.112 1.00 0.52 C ATOM 629 CG GLN A 43 -7.399 11.452 3.705 1.00 0.73 C ATOM 630 CD GLN A 43 -8.062 10.194 3.138 1.00 1.47 C ATOM 631 OE1 GLN A 43 -7.526 9.556 2.239 1.00 3.19 O ATOM 632 NE2 GLN A 43 -9.238 9.821 3.637 1.00 1.25 N ATOM 0 H GLN A 43 -5.063 12.307 6.125 1.00 0.41 H new ATOM 0 HA GLN A 43 -6.843 10.186 5.753 1.00 0.44 H new ATOM 0 HB2 GLN A 43 -5.411 12.157 4.166 1.00 0.52 H new ATOM 0 HB3 GLN A 43 -5.444 10.609 3.345 1.00 0.52 H new ATOM 0 HG2 GLN A 43 -7.962 11.798 4.571 1.00 0.73 H new ATOM 0 HG3 GLN A 43 -7.437 12.248 2.961 1.00 0.73 H new ATOM 0 HE21 GLN A 43 -9.670 10.364 4.385 1.00 1.25 H new ATOM 0 HE22 GLN A 43 -9.707 8.993 3.271 1.00 1.25 H new ATOM 641 N VAL A 44 -3.658 9.349 5.341 1.00 0.39 N ATOM 642 CA VAL A 44 -2.767 8.203 5.259 1.00 0.41 C ATOM 643 C VAL A 44 -2.989 7.262 6.460 1.00 0.41 C ATOM 644 O VAL A 44 -2.975 6.040 6.311 1.00 0.48 O ATOM 645 CB VAL A 44 -1.326 8.723 5.138 1.00 0.47 C ATOM 646 CG1 VAL A 44 -0.307 7.586 5.185 1.00 0.54 C ATOM 647 CG2 VAL A 44 -1.144 9.490 3.817 1.00 0.49 C ATOM 0 H VAL A 44 -3.179 10.249 5.361 1.00 0.39 H new ATOM 0 HA VAL A 44 -2.978 7.600 4.376 1.00 0.41 H new ATOM 0 HB VAL A 44 -1.153 9.385 5.987 1.00 0.47 H new ATOM 0 HG11 VAL A 44 0.699 7.995 5.096 1.00 0.54 H new ATOM 0 HG12 VAL A 44 -0.400 7.053 6.131 1.00 0.54 H new ATOM 0 HG13 VAL A 44 -0.492 6.897 4.361 1.00 0.54 H new ATOM 0 HG21 VAL A 44 -0.119 9.852 3.745 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -1.354 8.826 2.979 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -1.831 10.336 3.790 1.00 0.49 H new ATOM 657 N LYS A 45 -3.221 7.810 7.655 1.00 0.40 N ATOM 658 CA LYS A 45 -3.508 7.009 8.836 1.00 0.47 C ATOM 659 C LYS A 45 -4.880 6.326 8.721 1.00 0.48 C ATOM 660 O LYS A 45 -5.022 5.145 9.043 1.00 0.55 O ATOM 661 CB LYS A 45 -3.428 7.869 10.101 1.00 0.57 C ATOM 662 CG LYS A 45 -2.817 7.079 11.267 1.00 0.72 C ATOM 663 CD LYS A 45 -1.280 7.177 11.250 1.00 2.45 C ATOM 664 CE LYS A 45 -0.650 6.777 12.594 1.00 2.75 C ATOM 665 NZ LYS A 45 0.825 6.909 12.564 1.00 4.21 N ATOM 0 H LYS A 45 -3.214 8.816 7.826 1.00 0.40 H new ATOM 0 HA LYS A 45 -2.753 6.226 8.907 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -2.827 8.757 9.904 1.00 0.57 H new ATOM 0 HB3 LYS A 45 -4.425 8.214 10.374 1.00 0.57 H new ATOM 0 HG2 LYS A 45 -3.200 7.463 12.212 1.00 0.72 H new ATOM 0 HG3 LYS A 45 -3.120 6.034 11.202 1.00 0.72 H new ATOM 0 HD2 LYS A 45 -0.887 6.534 10.462 1.00 2.45 H new ATOM 0 HD3 LYS A 45 -0.987 8.198 11.004 1.00 2.45 H new ATOM 0 HE2 LYS A 45 -1.056 7.404 13.388 1.00 2.75 H new ATOM 0 HE3 LYS A 45 -0.919 5.748 12.831 1.00 2.75 H new ATOM 0 HZ1 LYS A 45 1.151 7.361 13.442 1.00 4.21 H new ATOM 0 HZ2 LYS A 45 1.256 5.966 12.479 1.00 4.21 H new ATOM 0 HZ3 LYS A 45 1.105 7.492 11.750 1.00 4.21 H new ATOM 679 N ASP A 46 -5.895 7.066 8.270 1.00 0.46 N ATOM 680 CA ASP A 46 -7.238 6.527 8.093 1.00 0.51 C ATOM 681 C ASP A 46 -7.200 5.359 7.113 1.00 0.51 C ATOM 682 O ASP A 46 -7.657 4.259 7.428 1.00 0.60 O ATOM 683 CB ASP A 46 -8.205 7.616 7.602 1.00 0.55 C ATOM 684 CG ASP A 46 -8.664 8.581 8.689 1.00 1.72 C ATOM 685 OD1 ASP A 46 -8.244 8.404 9.853 1.00 2.80 O ATOM 686 OD2 ASP A 46 -9.459 9.474 8.325 1.00 2.90 O ATOM 0 H ASP A 46 -5.806 8.051 8.019 1.00 0.46 H new ATOM 0 HA ASP A 46 -7.601 6.169 9.056 1.00 0.51 H new ATOM 0 HB2 ASP A 46 -7.721 8.185 6.808 1.00 0.55 H new ATOM 0 HB3 ASP A 46 -9.081 7.138 7.163 1.00 0.55 H new ATOM 691 N VAL A 47 -6.632 5.577 5.923 1.00 0.47 N ATOM 692 CA VAL A 47 -6.492 4.502 4.952 1.00 0.50 C ATOM 693 C VAL A 47 -5.679 3.359 5.568 1.00 0.54 C ATOM 694 O VAL A 47 -6.093 2.205 5.463 1.00 0.58 O ATOM 695 CB VAL A 47 -5.976 4.988 3.581 1.00 0.53 C ATOM 696 CG1 VAL A 47 -6.793 6.177 3.052 1.00 0.52 C ATOM 697 CG2 VAL A 47 -4.494 5.331 3.555 1.00 0.65 C ATOM 0 H VAL A 47 -6.267 6.479 5.617 1.00 0.47 H new ATOM 0 HA VAL A 47 -7.481 4.107 4.719 1.00 0.50 H new ATOM 0 HB VAL A 47 -6.111 4.131 2.921 1.00 0.53 H new ATOM 0 HG11 VAL A 47 -6.398 6.489 2.085 1.00 0.52 H new ATOM 0 HG12 VAL A 47 -7.836 5.880 2.939 1.00 0.52 H new ATOM 0 HG13 VAL A 47 -6.726 7.006 3.756 1.00 0.52 H new ATOM 0 HG21 VAL A 47 -4.215 5.663 2.555 1.00 0.65 H new ATOM 0 HG22 VAL A 47 -4.292 6.127 4.272 1.00 0.65 H new ATOM 0 HG23 VAL A 47 -3.912 4.448 3.820 1.00 0.65 H new ATOM 707 N PHE A 48 -4.578 3.664 6.273 1.00 0.54 N ATOM 708 CA PHE A 48 -3.794 2.657 6.982 1.00 0.61 C ATOM 709 C PHE A 48 -4.697 1.761 7.842 1.00 0.59 C ATOM 710 O PHE A 48 -4.610 0.539 7.751 1.00 0.64 O ATOM 711 CB PHE A 48 -2.662 3.321 7.772 1.00 0.71 C ATOM 712 CG PHE A 48 -2.023 2.431 8.809 1.00 1.46 C ATOM 713 CD1 PHE A 48 -2.637 2.275 10.067 1.00 2.82 C ATOM 714 CD2 PHE A 48 -0.912 1.645 8.469 1.00 2.50 C ATOM 715 CE1 PHE A 48 -2.226 1.240 10.922 1.00 4.05 C ATOM 716 CE2 PHE A 48 -0.409 0.717 9.392 1.00 3.61 C ATOM 717 CZ PHE A 48 -1.100 0.468 10.592 1.00 4.16 C ATOM 0 H PHE A 48 -4.213 4.612 6.363 1.00 0.54 H new ATOM 0 HA PHE A 48 -3.320 1.995 6.258 1.00 0.61 H new ATOM 0 HB2 PHE A 48 -1.894 3.654 7.074 1.00 0.71 H new ATOM 0 HB3 PHE A 48 -3.053 4.211 8.265 1.00 0.71 H new ATOM 0 HD1 PHE A 48 -3.422 2.950 10.373 1.00 2.82 H new ATOM 0 HD2 PHE A 48 -0.446 1.754 7.501 1.00 2.50 H new ATOM 0 HE1 PHE A 48 -2.774 1.038 11.831 1.00 4.05 H new ATOM 0 HE2 PHE A 48 0.511 0.192 9.181 1.00 3.61 H new ATOM 0 HZ PHE A 48 -0.766 -0.314 11.257 1.00 4.16 H new ATOM 727 N ARG A 49 -5.597 2.344 8.643 1.00 0.57 N ATOM 728 CA ARG A 49 -6.520 1.545 9.446 1.00 0.60 C ATOM 729 C ARG A 49 -7.392 0.622 8.589 1.00 0.56 C ATOM 730 O ARG A 49 -7.667 -0.503 8.997 1.00 0.63 O ATOM 731 CB ARG A 49 -7.404 2.422 10.335 1.00 0.71 C ATOM 732 CG ARG A 49 -6.636 2.956 11.549 1.00 0.96 C ATOM 733 CD ARG A 49 -7.597 3.656 12.515 1.00 1.24 C ATOM 734 NE ARG A 49 -8.568 2.706 13.092 1.00 2.12 N ATOM 735 CZ ARG A 49 -9.723 3.041 13.687 1.00 2.88 C ATOM 736 NH1 ARG A 49 -10.057 4.329 13.829 1.00 3.06 N ATOM 737 NH2 ARG A 49 -10.531 2.078 14.136 1.00 4.02 N ATOM 0 H ARG A 49 -5.703 3.353 8.750 1.00 0.57 H new ATOM 0 HA ARG A 49 -5.897 0.919 10.085 1.00 0.60 H new ATOM 0 HB2 ARG A 49 -7.790 3.258 9.752 1.00 0.71 H new ATOM 0 HB3 ARG A 49 -8.265 1.845 10.674 1.00 0.71 H new ATOM 0 HG2 ARG A 49 -6.130 2.136 12.058 1.00 0.96 H new ATOM 0 HG3 ARG A 49 -5.864 3.653 11.223 1.00 0.96 H new ATOM 0 HD2 ARG A 49 -7.029 4.130 13.316 1.00 1.24 H new ATOM 0 HD3 ARG A 49 -8.130 4.449 11.990 1.00 1.24 H new ATOM 0 HE ARG A 49 -8.342 1.713 13.034 1.00 2.12 H new ATOM 0 HH11 ARG A 49 -9.433 5.059 13.485 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -10.936 4.581 14.282 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -10.268 1.099 14.025 1.00 4.02 H new ATOM 0 HH22 ARG A 49 -11.411 2.321 14.590 1.00 4.02 H new ATOM 751 N PHE A 50 -7.833 1.074 7.411 1.00 0.52 N ATOM 752 CA PHE A 50 -8.559 0.194 6.499 1.00 0.61 C ATOM 753 C PHE A 50 -7.660 -0.965 6.055 1.00 0.63 C ATOM 754 O PHE A 50 -8.157 -2.067 5.816 1.00 0.79 O ATOM 755 CB PHE A 50 -9.117 0.955 5.284 1.00 0.71 C ATOM 756 CG PHE A 50 -10.513 1.517 5.477 1.00 1.19 C ATOM 757 CD1 PHE A 50 -10.720 2.628 6.317 1.00 2.69 C ATOM 758 CD2 PHE A 50 -11.611 0.923 4.823 1.00 2.05 C ATOM 759 CE1 PHE A 50 -12.017 3.140 6.503 1.00 3.57 C ATOM 760 CE2 PHE A 50 -12.907 1.437 5.009 1.00 2.77 C ATOM 761 CZ PHE A 50 -13.110 2.541 5.853 1.00 3.23 C ATOM 0 H PHE A 50 -7.702 2.027 7.073 1.00 0.52 H new ATOM 0 HA PHE A 50 -9.415 -0.211 7.039 1.00 0.61 H new ATOM 0 HB2 PHE A 50 -8.440 1.774 5.043 1.00 0.71 H new ATOM 0 HB3 PHE A 50 -9.125 0.285 4.424 1.00 0.71 H new ATOM 0 HD1 PHE A 50 -9.882 3.088 6.819 1.00 2.69 H new ATOM 0 HD2 PHE A 50 -11.457 0.071 4.177 1.00 2.05 H new ATOM 0 HE1 PHE A 50 -12.173 3.994 7.146 1.00 3.57 H new ATOM 0 HE2 PHE A 50 -13.746 0.983 4.503 1.00 2.77 H new ATOM 0 HZ PHE A 50 -14.106 2.930 6.003 1.00 3.23 H new ATOM 771 N ILE A 51 -6.353 -0.718 5.915 1.00 0.62 N ATOM 772 CA ILE A 51 -5.415 -1.744 5.484 1.00 0.79 C ATOM 773 C ILE A 51 -5.166 -2.748 6.613 1.00 0.66 C ATOM 774 O ILE A 51 -5.224 -3.951 6.358 1.00 1.17 O ATOM 775 CB ILE A 51 -4.099 -1.156 4.943 1.00 1.07 C ATOM 776 CG1 ILE A 51 -4.261 0.005 3.945 1.00 1.54 C ATOM 777 CG2 ILE A 51 -3.299 -2.277 4.262 1.00 1.21 C ATOM 778 CD1 ILE A 51 -5.470 -0.086 3.012 1.00 1.12 C ATOM 0 H ILE A 51 -5.925 0.190 6.096 1.00 0.62 H new ATOM 0 HA ILE A 51 -5.872 -2.273 4.648 1.00 0.79 H new ATOM 0 HB ILE A 51 -3.585 -0.738 5.809 1.00 1.07 H new ATOM 0 HG12 ILE A 51 -4.328 0.936 4.507 1.00 1.54 H new ATOM 0 HG13 ILE A 51 -3.359 0.065 3.336 1.00 1.54 H new ATOM 0 HG21 ILE A 51 -2.364 -1.873 3.874 1.00 1.21 H new ATOM 0 HG22 ILE A 51 -3.082 -3.061 4.987 1.00 1.21 H new ATOM 0 HG23 ILE A 51 -3.882 -2.693 3.441 1.00 1.21 H new ATOM 0 HD11 ILE A 51 -5.487 0.782 2.353 1.00 1.12 H new ATOM 0 HD12 ILE A 51 -5.401 -0.995 2.414 1.00 1.12 H new ATOM 0 HD13 ILE A 51 -6.385 -0.110 3.604 1.00 1.12 H new ATOM 790 N ASP A 52 -4.905 -2.285 7.849 1.00 0.84 N ATOM 791 CA ASP A 52 -4.729 -3.170 9.007 1.00 0.80 C ATOM 792 C ASP A 52 -6.093 -3.730 9.417 1.00 1.05 C ATOM 793 O ASP A 52 -6.609 -3.428 10.487 1.00 1.90 O ATOM 794 CB ASP A 52 -4.028 -2.456 10.188 1.00 0.85 C ATOM 795 CG ASP A 52 -3.421 -3.438 11.197 1.00 0.81 C ATOM 796 OD1 ASP A 52 -2.944 -4.506 10.764 1.00 1.17 O ATOM 797 OD2 ASP A 52 -3.386 -3.156 12.415 1.00 1.84 O ATOM 0 H ASP A 52 -4.811 -1.293 8.069 1.00 0.84 H new ATOM 0 HA ASP A 52 -4.072 -3.992 8.722 1.00 0.80 H new ATOM 0 HB2 ASP A 52 -3.242 -1.808 9.800 1.00 0.85 H new ATOM 0 HB3 ASP A 52 -4.747 -1.815 10.698 1.00 0.85 H new ATOM 802 N ASN A 53 -6.699 -4.535 8.546 1.00 0.66 N ATOM 803 CA ASN A 53 -8.071 -5.010 8.659 1.00 0.98 C ATOM 804 C ASN A 53 -8.302 -5.775 9.958 1.00 1.02 C ATOM 805 O ASN A 53 -9.375 -5.694 10.551 1.00 1.75 O ATOM 806 CB ASN A 53 -8.369 -5.893 7.448 1.00 1.30 C ATOM 807 CG ASN A 53 -9.811 -6.379 7.428 1.00 1.56 C ATOM 808 OD1 ASN A 53 -10.692 -5.671 6.942 1.00 2.29 O ATOM 809 ND2 ASN A 53 -10.061 -7.603 7.880 1.00 1.29 N ATOM 0 H ASN A 53 -6.228 -4.886 7.712 1.00 0.66 H new ATOM 0 HA ASN A 53 -8.747 -4.155 8.680 1.00 0.98 H new ATOM 0 HB2 ASN A 53 -8.164 -5.335 6.535 1.00 1.30 H new ATOM 0 HB3 ASN A 53 -7.698 -6.752 7.454 1.00 1.30 H new ATOM 0 HD21 ASN A 53 -11.007 -7.982 7.830 1.00 1.29 H new ATOM 0 HD22 ASN A 53 -9.307 -8.164 8.277 1.00 1.29 H new ATOM 816 N ASP A 54 -7.288 -6.526 10.386 1.00 0.83 N ATOM 817 CA ASP A 54 -7.280 -7.258 11.642 1.00 0.91 C ATOM 818 C ASP A 54 -7.113 -6.324 12.850 1.00 0.77 C ATOM 819 O ASP A 54 -7.447 -6.715 13.965 1.00 1.00 O ATOM 820 CB ASP A 54 -6.133 -8.268 11.582 1.00 1.18 C ATOM 821 CG ASP A 54 -4.811 -7.544 11.467 1.00 1.28 C ATOM 822 OD1 ASP A 54 -4.522 -6.930 10.420 1.00 2.55 O ATOM 823 OD2 ASP A 54 -4.015 -7.515 12.424 1.00 1.79 O ATOM 0 H ASP A 54 -6.428 -6.642 9.850 1.00 0.83 H new ATOM 0 HA ASP A 54 -8.237 -7.764 11.773 1.00 0.91 H new ATOM 0 HB2 ASP A 54 -6.139 -8.891 12.476 1.00 1.18 H new ATOM 0 HB3 ASP A 54 -6.268 -8.933 10.729 1.00 1.18 H new ATOM 828 N GLN A 55 -6.600 -5.107 12.635 1.00 0.63 N ATOM 829 CA GLN A 55 -6.273 -4.126 13.661 1.00 0.76 C ATOM 830 C GLN A 55 -5.344 -4.730 14.721 1.00 1.01 C ATOM 831 O GLN A 55 -5.745 -4.951 15.863 1.00 1.72 O ATOM 832 CB GLN A 55 -7.541 -3.448 14.216 1.00 0.89 C ATOM 833 CG GLN A 55 -7.912 -2.230 13.346 1.00 2.03 C ATOM 834 CD GLN A 55 -9.154 -1.476 13.818 1.00 2.29 C ATOM 835 OE1 GLN A 55 -9.197 -0.243 13.787 1.00 3.11 O ATOM 836 NE2 GLN A 55 -10.188 -2.192 14.248 1.00 2.32 N ATOM 0 H GLN A 55 -6.394 -4.769 11.695 1.00 0.63 H new ATOM 0 HA GLN A 55 -5.702 -3.314 13.212 1.00 0.76 H new ATOM 0 HB2 GLN A 55 -8.367 -4.159 14.231 1.00 0.89 H new ATOM 0 HB3 GLN A 55 -7.373 -3.132 15.246 1.00 0.89 H new ATOM 0 HG2 GLN A 55 -7.068 -1.541 13.328 1.00 2.03 H new ATOM 0 HG3 GLN A 55 -8.072 -2.565 12.321 1.00 2.03 H new ATOM 0 HE21 GLN A 55 -10.131 -3.210 14.265 1.00 2.32 H new ATOM 0 HE22 GLN A 55 -11.038 -1.723 14.561 1.00 2.32 H new ATOM 845 N SER A 56 -4.079 -4.952 14.339 1.00 0.80 N ATOM 846 CA SER A 56 -3.026 -5.414 15.241 1.00 0.96 C ATOM 847 C SER A 56 -2.049 -4.296 15.596 1.00 1.04 C ATOM 848 O SER A 56 -1.418 -4.361 16.648 1.00 1.41 O ATOM 849 CB SER A 56 -2.251 -6.603 14.655 1.00 0.98 C ATOM 850 OG SER A 56 -1.576 -6.270 13.446 1.00 0.89 O ATOM 0 H SER A 56 -3.758 -4.813 13.381 1.00 0.80 H new ATOM 0 HA SER A 56 -3.530 -5.740 16.151 1.00 0.96 H new ATOM 0 HB2 SER A 56 -1.525 -6.956 15.387 1.00 0.98 H new ATOM 0 HB3 SER A 56 -2.941 -7.426 14.468 1.00 0.98 H new ATOM 0 HG SER A 56 -2.118 -6.553 12.680 1.00 0.89 H new ATOM 856 N GLY A 57 -1.856 -3.318 14.705 1.00 0.90 N ATOM 857 CA GLY A 57 -0.763 -2.364 14.830 1.00 1.11 C ATOM 858 C GLY A 57 0.521 -2.870 14.166 1.00 1.10 C ATOM 859 O GLY A 57 1.553 -2.210 14.267 1.00 1.53 O ATOM 0 H GLY A 57 -2.449 -3.171 13.888 1.00 0.90 H new ATOM 0 HA2 GLY A 57 -1.056 -1.417 14.378 1.00 1.11 H new ATOM 0 HA3 GLY A 57 -0.572 -2.168 15.885 1.00 1.11 H new ATOM 863 N TYR A 58 0.459 -3.999 13.446 1.00 0.87 N ATOM 864 CA TYR A 58 1.495 -4.414 12.510 1.00 0.78 C ATOM 865 C TYR A 58 0.818 -4.865 11.218 1.00 0.73 C ATOM 866 O TYR A 58 -0.175 -5.595 11.259 1.00 0.73 O ATOM 867 CB TYR A 58 2.403 -5.509 13.096 1.00 0.85 C ATOM 868 CG TYR A 58 3.586 -5.000 13.904 1.00 0.98 C ATOM 869 CD1 TYR A 58 4.696 -4.447 13.237 1.00 2.16 C ATOM 870 CD2 TYR A 58 3.633 -5.167 15.301 1.00 1.90 C ATOM 871 CE1 TYR A 58 5.833 -4.041 13.955 1.00 2.50 C ATOM 872 CE2 TYR A 58 4.785 -4.792 16.017 1.00 2.01 C ATOM 873 CZ TYR A 58 5.873 -4.204 15.349 1.00 1.70 C ATOM 874 OH TYR A 58 6.991 -3.864 16.049 1.00 2.14 O ATOM 0 H TYR A 58 -0.323 -4.651 13.503 1.00 0.87 H new ATOM 0 HA TYR A 58 2.154 -3.571 12.303 1.00 0.78 H new ATOM 0 HB2 TYR A 58 1.800 -6.158 13.732 1.00 0.85 H new ATOM 0 HB3 TYR A 58 2.779 -6.124 12.278 1.00 0.85 H new ATOM 0 HD1 TYR A 58 4.673 -4.334 12.163 1.00 2.16 H new ATOM 0 HD2 TYR A 58 2.784 -5.583 15.824 1.00 1.90 H new ATOM 0 HE1 TYR A 58 6.674 -3.605 13.436 1.00 2.50 H new ATOM 0 HE2 TYR A 58 4.833 -4.957 17.083 1.00 2.01 H new ATOM 0 HH TYR A 58 6.846 -4.040 17.002 1.00 2.14 H new ATOM 884 N LEU A 59 1.352 -4.389 10.092 1.00 0.72 N ATOM 885 CA LEU A 59 1.136 -4.893 8.751 1.00 0.62 C ATOM 886 C LEU A 59 2.260 -5.879 8.494 1.00 0.54 C ATOM 887 O LEU A 59 3.282 -5.560 7.882 1.00 0.57 O ATOM 888 CB LEU A 59 1.137 -3.768 7.708 1.00 0.63 C ATOM 889 CG LEU A 59 -0.184 -2.996 7.625 1.00 0.84 C ATOM 890 CD1 LEU A 59 -1.344 -3.838 7.084 1.00 1.88 C ATOM 891 CD2 LEU A 59 -0.581 -2.427 8.981 1.00 1.94 C ATOM 0 H LEU A 59 1.986 -3.590 10.102 1.00 0.72 H new ATOM 0 HA LEU A 59 0.158 -5.367 8.667 1.00 0.62 H new ATOM 0 HB2 LEU A 59 1.940 -3.070 7.942 1.00 0.63 H new ATOM 0 HB3 LEU A 59 1.360 -4.193 6.729 1.00 0.63 H new ATOM 0 HG LEU A 59 0.002 -2.186 6.920 1.00 0.84 H new ATOM 0 HD11 LEU A 59 -2.249 -3.232 7.051 1.00 1.88 H new ATOM 0 HD12 LEU A 59 -1.103 -4.186 6.079 1.00 1.88 H new ATOM 0 HD13 LEU A 59 -1.506 -4.696 7.736 1.00 1.88 H new ATOM 0 HD21 LEU A 59 -1.522 -1.885 8.887 1.00 1.94 H new ATOM 0 HD22 LEU A 59 -0.701 -3.241 9.696 1.00 1.94 H new ATOM 0 HD23 LEU A 59 0.195 -1.747 9.332 1.00 1.94 H new ATOM 903 N ASP A 60 2.066 -7.080 9.021 1.00 0.62 N ATOM 904 CA ASP A 60 2.893 -8.227 8.721 1.00 0.67 C ATOM 905 C ASP A 60 2.758 -8.579 7.231 1.00 0.59 C ATOM 906 O ASP A 60 1.748 -8.281 6.586 1.00 0.54 O ATOM 907 CB ASP A 60 2.485 -9.378 9.650 1.00 0.85 C ATOM 908 CG ASP A 60 2.523 -8.949 11.114 1.00 1.20 C ATOM 909 OD1 ASP A 60 1.571 -8.252 11.528 1.00 1.30 O ATOM 910 OD2 ASP A 60 3.522 -9.286 11.786 1.00 1.93 O ATOM 0 H ASP A 60 1.314 -7.282 9.680 1.00 0.62 H new ATOM 0 HA ASP A 60 3.947 -8.016 8.899 1.00 0.67 H new ATOM 0 HB2 ASP A 60 1.481 -9.716 9.394 1.00 0.85 H new ATOM 0 HB3 ASP A 60 3.155 -10.225 9.499 1.00 0.85 H new ATOM 915 N GLU A 61 3.794 -9.209 6.673 1.00 0.72 N ATOM 916 CA GLU A 61 3.912 -9.496 5.248 1.00 0.77 C ATOM 917 C GLU A 61 2.658 -10.174 4.687 1.00 0.68 C ATOM 918 O GLU A 61 2.160 -9.806 3.623 1.00 0.67 O ATOM 919 CB GLU A 61 5.147 -10.377 5.024 1.00 1.03 C ATOM 920 CG GLU A 61 6.446 -9.645 5.382 1.00 1.61 C ATOM 921 CD GLU A 61 7.646 -10.571 5.250 1.00 2.69 C ATOM 922 OE1 GLU A 61 8.006 -10.869 4.090 1.00 3.22 O ATOM 923 OE2 GLU A 61 8.160 -10.982 6.311 1.00 3.79 O ATOM 0 H GLU A 61 4.592 -9.540 7.216 1.00 0.72 H new ATOM 0 HA GLU A 61 4.020 -8.552 4.713 1.00 0.77 H new ATOM 0 HB2 GLU A 61 5.062 -11.281 5.627 1.00 1.03 H new ATOM 0 HB3 GLU A 61 5.184 -10.692 3.981 1.00 1.03 H new ATOM 0 HG2 GLU A 61 6.574 -8.782 4.728 1.00 1.61 H new ATOM 0 HG3 GLU A 61 6.385 -9.266 6.402 1.00 1.61 H new ATOM 930 N GLU A 62 2.156 -11.183 5.403 1.00 0.78 N ATOM 931 CA GLU A 62 1.007 -11.971 4.978 1.00 0.87 C ATOM 932 C GLU A 62 -0.219 -11.071 4.798 1.00 0.84 C ATOM 933 O GLU A 62 -0.885 -11.112 3.768 1.00 0.98 O ATOM 934 CB GLU A 62 0.794 -13.113 5.985 1.00 1.12 C ATOM 935 CG GLU A 62 -0.054 -14.270 5.437 1.00 1.28 C ATOM 936 CD GLU A 62 -1.547 -13.976 5.455 1.00 2.40 C ATOM 937 OE1 GLU A 62 -2.048 -13.682 6.559 1.00 3.36 O ATOM 938 OE2 GLU A 62 -2.151 -14.078 4.366 1.00 3.61 O ATOM 0 H GLU A 62 2.542 -11.475 6.301 1.00 0.78 H new ATOM 0 HA GLU A 62 1.184 -12.425 4.003 1.00 0.87 H new ATOM 0 HB2 GLU A 62 1.765 -13.500 6.292 1.00 1.12 H new ATOM 0 HB3 GLU A 62 0.313 -12.713 6.878 1.00 1.12 H new ATOM 0 HG2 GLU A 62 0.255 -14.487 4.415 1.00 1.28 H new ATOM 0 HG3 GLU A 62 0.141 -15.166 6.026 1.00 1.28 H new ATOM 945 N GLU A 63 -0.473 -10.189 5.762 1.00 0.82 N ATOM 946 CA GLU A 63 -1.553 -9.226 5.661 1.00 0.92 C ATOM 947 C GLU A 63 -1.356 -8.342 4.430 1.00 0.74 C ATOM 948 O GLU A 63 -2.296 -8.099 3.675 1.00 0.83 O ATOM 949 CB GLU A 63 -1.586 -8.380 6.927 1.00 1.13 C ATOM 950 CG GLU A 63 -1.728 -9.236 8.193 1.00 1.92 C ATOM 951 CD GLU A 63 -1.668 -8.338 9.402 1.00 1.29 C ATOM 952 OE1 GLU A 63 -1.404 -7.130 9.255 1.00 1.75 O ATOM 953 OE2 GLU A 63 -2.008 -8.733 10.535 1.00 2.15 O ATOM 0 H GLU A 63 0.063 -10.126 6.627 1.00 0.82 H new ATOM 0 HA GLU A 63 -2.503 -9.750 5.555 1.00 0.92 H new ATOM 0 HB2 GLU A 63 -0.672 -7.789 6.991 1.00 1.13 H new ATOM 0 HB3 GLU A 63 -2.417 -7.677 6.871 1.00 1.13 H new ATOM 0 HG2 GLU A 63 -2.672 -9.781 8.175 1.00 1.92 H new ATOM 0 HG3 GLU A 63 -0.932 -9.979 8.236 1.00 1.92 H new ATOM 960 N LEU A 64 -0.121 -7.882 4.204 1.00 0.61 N ATOM 961 CA LEU A 64 0.215 -7.108 3.012 1.00 0.67 C ATOM 962 C LEU A 64 -0.101 -7.911 1.738 1.00 0.61 C ATOM 963 O LEU A 64 -0.630 -7.364 0.770 1.00 0.98 O ATOM 964 CB LEU A 64 1.672 -6.614 3.087 1.00 0.84 C ATOM 965 CG LEU A 64 1.837 -5.155 2.618 1.00 1.17 C ATOM 966 CD1 LEU A 64 3.157 -4.596 3.157 1.00 1.88 C ATOM 967 CD2 LEU A 64 1.823 -4.996 1.093 1.00 2.20 C ATOM 0 H LEU A 64 0.664 -8.035 4.837 1.00 0.61 H new ATOM 0 HA LEU A 64 -0.408 -6.215 2.967 1.00 0.67 H new ATOM 0 HB2 LEU A 64 2.028 -6.702 4.114 1.00 0.84 H new ATOM 0 HB3 LEU A 64 2.301 -7.260 2.475 1.00 0.84 H new ATOM 0 HG LEU A 64 0.980 -4.606 3.007 1.00 1.17 H new ATOM 0 HD11 LEU A 64 3.277 -3.564 2.827 1.00 1.88 H new ATOM 0 HD12 LEU A 64 3.149 -4.630 4.246 1.00 1.88 H new ATOM 0 HD13 LEU A 64 3.986 -5.196 2.782 1.00 1.88 H new ATOM 0 HD21 LEU A 64 1.944 -3.944 0.836 1.00 2.20 H new ATOM 0 HD22 LEU A 64 2.641 -5.572 0.660 1.00 2.20 H new ATOM 0 HD23 LEU A 64 0.874 -5.360 0.698 1.00 2.20 H new ATOM 979 N LYS A 65 0.135 -9.227 1.754 1.00 0.64 N ATOM 980 CA LYS A 65 -0.264 -10.143 0.683 1.00 0.79 C ATOM 981 C LYS A 65 -1.783 -10.140 0.424 1.00 0.80 C ATOM 982 O LYS A 65 -2.221 -10.684 -0.587 1.00 1.08 O ATOM 983 CB LYS A 65 0.224 -11.566 0.997 1.00 1.13 C ATOM 984 CG LYS A 65 0.476 -12.403 -0.264 1.00 1.57 C ATOM 985 CD LYS A 65 0.524 -13.905 0.056 1.00 1.51 C ATOM 986 CE LYS A 65 1.507 -14.222 1.193 1.00 2.97 C ATOM 987 NZ LYS A 65 1.674 -15.675 1.397 1.00 3.00 N ATOM 0 H LYS A 65 0.616 -9.692 2.524 1.00 0.64 H new ATOM 0 HA LYS A 65 0.208 -9.787 -0.233 1.00 0.79 H new ATOM 0 HB2 LYS A 65 1.144 -11.509 1.579 1.00 1.13 H new ATOM 0 HB3 LYS A 65 -0.516 -12.069 1.619 1.00 1.13 H new ATOM 0 HG2 LYS A 65 -0.311 -12.210 -0.993 1.00 1.57 H new ATOM 0 HG3 LYS A 65 1.417 -12.098 -0.722 1.00 1.57 H new ATOM 0 HD2 LYS A 65 -0.473 -14.248 0.333 1.00 1.51 H new ATOM 0 HD3 LYS A 65 0.814 -14.457 -0.838 1.00 1.51 H new ATOM 0 HE2 LYS A 65 2.475 -13.775 0.969 1.00 2.97 H new ATOM 0 HE3 LYS A 65 1.151 -13.766 2.117 1.00 2.97 H new ATOM 0 HZ1 LYS A 65 2.346 -15.842 2.173 1.00 3.00 H new ATOM 0 HZ2 LYS A 65 0.755 -16.100 1.637 1.00 3.00 H new ATOM 0 HZ3 LYS A 65 2.039 -16.108 0.525 1.00 3.00 H new ATOM 1001 N PHE A 66 -2.593 -9.544 1.309 1.00 0.75 N ATOM 1002 CA PHE A 66 -4.026 -9.345 1.117 1.00 0.97 C ATOM 1003 C PHE A 66 -4.382 -7.851 1.229 1.00 0.97 C ATOM 1004 O PHE A 66 -5.498 -7.498 1.605 1.00 1.26 O ATOM 1005 CB PHE A 66 -4.787 -10.212 2.135 1.00 1.24 C ATOM 1006 CG PHE A 66 -6.190 -10.607 1.706 1.00 1.74 C ATOM 1007 CD1 PHE A 66 -6.373 -11.713 0.854 1.00 3.35 C ATOM 1008 CD2 PHE A 66 -7.308 -9.868 2.135 1.00 2.98 C ATOM 1009 CE1 PHE A 66 -7.661 -12.051 0.402 1.00 4.65 C ATOM 1010 CE2 PHE A 66 -8.593 -10.197 1.672 1.00 4.59 C ATOM 1011 CZ PHE A 66 -8.770 -11.285 0.801 1.00 5.06 C ATOM 0 H PHE A 66 -2.256 -9.179 2.200 1.00 0.75 H new ATOM 0 HA PHE A 66 -4.322 -9.658 0.116 1.00 0.97 H new ATOM 0 HB2 PHE A 66 -4.211 -11.118 2.324 1.00 1.24 H new ATOM 0 HB3 PHE A 66 -4.849 -9.671 3.079 1.00 1.24 H new ATOM 0 HD1 PHE A 66 -5.522 -12.303 0.547 1.00 3.35 H new ATOM 0 HD2 PHE A 66 -7.178 -9.045 2.822 1.00 2.98 H new ATOM 0 HE1 PHE A 66 -7.798 -12.899 -0.252 1.00 4.65 H new ATOM 0 HE2 PHE A 66 -9.446 -9.613 1.986 1.00 4.59 H new ATOM 0 HZ PHE A 66 -9.757 -11.533 0.438 1.00 5.06 H new ATOM 1021 N PHE A 67 -3.444 -6.954 0.900 1.00 0.82 N ATOM 1022 CA PHE A 67 -3.670 -5.513 0.973 1.00 0.92 C ATOM 1023 C PHE A 67 -4.724 -5.081 -0.048 1.00 1.13 C ATOM 1024 O PHE A 67 -5.839 -4.718 0.321 1.00 1.35 O ATOM 1025 CB PHE A 67 -2.337 -4.759 0.795 1.00 0.84 C ATOM 1026 CG PHE A 67 -2.379 -3.271 0.462 1.00 1.14 C ATOM 1027 CD1 PHE A 67 -3.499 -2.468 0.759 1.00 2.32 C ATOM 1028 CD2 PHE A 67 -1.287 -2.699 -0.219 1.00 1.93 C ATOM 1029 CE1 PHE A 67 -3.565 -1.146 0.292 1.00 2.65 C ATOM 1030 CE2 PHE A 67 -1.331 -1.355 -0.632 1.00 2.29 C ATOM 1031 CZ PHE A 67 -2.478 -0.582 -0.390 1.00 2.11 C ATOM 0 H PHE A 67 -2.511 -7.210 0.577 1.00 0.82 H new ATOM 0 HA PHE A 67 -4.061 -5.258 1.958 1.00 0.92 H new ATOM 0 HB2 PHE A 67 -1.765 -4.876 1.715 1.00 0.84 H new ATOM 0 HB3 PHE A 67 -1.777 -5.259 0.005 1.00 0.84 H new ATOM 0 HD1 PHE A 67 -4.309 -2.872 1.348 1.00 2.32 H new ATOM 0 HD2 PHE A 67 -0.411 -3.296 -0.425 1.00 1.93 H new ATOM 0 HE1 PHE A 67 -4.457 -0.561 0.459 1.00 2.65 H new ATOM 0 HE2 PHE A 67 -0.482 -0.917 -1.136 1.00 2.29 H new ATOM 0 HZ PHE A 67 -2.522 0.443 -0.728 1.00 2.11 H new ATOM 1041 N LEU A 68 -4.363 -5.035 -1.330 1.00 1.03 N ATOM 1042 CA LEU A 68 -5.162 -4.336 -2.326 1.00 0.98 C ATOM 1043 C LEU A 68 -6.506 -5.051 -2.556 1.00 0.93 C ATOM 1044 O LEU A 68 -7.461 -4.417 -2.989 1.00 0.86 O ATOM 1045 CB LEU A 68 -4.310 -4.116 -3.585 1.00 0.99 C ATOM 1046 CG LEU A 68 -4.458 -2.736 -4.256 1.00 1.42 C ATOM 1047 CD1 LEU A 68 -3.184 -2.411 -5.045 1.00 2.24 C ATOM 1048 CD2 LEU A 68 -5.647 -2.652 -5.223 1.00 2.92 C ATOM 0 H LEU A 68 -3.521 -5.475 -1.700 1.00 1.03 H new ATOM 0 HA LEU A 68 -5.447 -3.345 -1.974 1.00 0.98 H new ATOM 0 HB2 LEU A 68 -3.262 -4.262 -3.323 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -4.566 -4.884 -4.314 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.631 -2.022 -3.451 1.00 1.42 H new ATOM 0 HD11 LEU A 68 -3.289 -1.435 -5.519 1.00 2.24 H new ATOM 0 HD12 LEU A 68 -2.330 -2.395 -4.367 1.00 2.24 H new ATOM 0 HD13 LEU A 68 -3.026 -3.171 -5.810 1.00 2.24 H new ATOM 0 HD21 LEU A 68 -5.691 -1.654 -5.659 1.00 2.92 H new ATOM 0 HD22 LEU A 68 -5.524 -3.389 -6.016 1.00 2.92 H new ATOM 0 HD23 LEU A 68 -6.571 -2.853 -4.681 1.00 2.92 H new ATOM 1060 N GLN A 69 -6.627 -6.317 -2.141 1.00 0.96 N ATOM 1061 CA GLN A 69 -7.881 -7.061 -2.008 1.00 0.91 C ATOM 1062 C GLN A 69 -8.937 -6.289 -1.193 1.00 0.83 C ATOM 1063 O GLN A 69 -10.125 -6.593 -1.260 1.00 1.15 O ATOM 1064 CB GLN A 69 -7.620 -8.417 -1.328 1.00 0.89 C ATOM 1065 CG GLN A 69 -6.666 -9.359 -2.081 1.00 1.12 C ATOM 1066 CD GLN A 69 -7.226 -9.912 -3.394 1.00 1.10 C ATOM 1067 OE1 GLN A 69 -8.436 -10.009 -3.577 1.00 1.88 O ATOM 1068 NE2 GLN A 69 -6.352 -10.326 -4.308 1.00 1.54 N ATOM 0 H GLN A 69 -5.815 -6.875 -1.877 1.00 0.96 H new ATOM 0 HA GLN A 69 -8.271 -7.208 -3.015 1.00 0.91 H new ATOM 0 HB2 GLN A 69 -7.213 -8.233 -0.334 1.00 0.89 H new ATOM 0 HB3 GLN A 69 -8.574 -8.926 -1.192 1.00 0.89 H new ATOM 0 HG2 GLN A 69 -5.740 -8.825 -2.292 1.00 1.12 H new ATOM 0 HG3 GLN A 69 -6.411 -10.194 -1.429 1.00 1.12 H new ATOM 0 HE21 GLN A 69 -5.351 -10.235 -4.134 1.00 1.54 H new ATOM 0 HE22 GLN A 69 -6.683 -10.734 -5.182 1.00 1.54 H new ATOM 1077 N LYS A 70 -8.516 -5.328 -0.363 1.00 0.68 N ATOM 1078 CA LYS A 70 -9.416 -4.471 0.400 1.00 0.68 C ATOM 1079 C LYS A 70 -9.974 -3.334 -0.466 1.00 0.66 C ATOM 1080 O LYS A 70 -11.021 -2.780 -0.140 1.00 0.89 O ATOM 1081 CB LYS A 70 -8.673 -3.896 1.617 1.00 0.95 C ATOM 1082 CG LYS A 70 -7.959 -4.959 2.474 1.00 1.46 C ATOM 1083 CD LYS A 70 -8.574 -5.150 3.864 1.00 1.14 C ATOM 1084 CE LYS A 70 -10.013 -5.690 3.816 1.00 1.72 C ATOM 1085 NZ LYS A 70 -10.977 -4.773 4.457 1.00 3.15 N ATOM 0 H LYS A 70 -7.529 -5.125 -0.204 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.258 -5.074 0.739 1.00 0.68 H new ATOM 0 HB2 LYS A 70 -7.938 -3.169 1.271 1.00 0.95 H new ATOM 0 HB3 LYS A 70 -9.384 -3.357 2.243 1.00 0.95 H new ATOM 0 HG2 LYS A 70 -7.979 -5.912 1.945 1.00 1.46 H new ATOM 0 HG3 LYS A 70 -6.912 -4.678 2.586 1.00 1.46 H new ATOM 0 HD2 LYS A 70 -7.953 -5.837 4.439 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -8.567 -4.197 4.392 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -10.304 -5.852 2.778 1.00 1.72 H new ATOM 0 HE3 LYS A 70 -10.052 -6.660 4.313 1.00 1.72 H new ATOM 0 HZ1 LYS A 70 -11.914 -4.894 4.021 1.00 3.15 H new ATOM 0 HZ2 LYS A 70 -11.037 -4.987 5.473 1.00 3.15 H new ATOM 0 HZ3 LYS A 70 -10.660 -3.791 4.329 1.00 3.15 H new ATOM 1099 N PHE A 71 -9.248 -2.950 -1.519 1.00 0.69 N ATOM 1100 CA PHE A 71 -9.608 -1.891 -2.452 1.00 0.80 C ATOM 1101 C PHE A 71 -10.336 -2.495 -3.657 1.00 0.90 C ATOM 1102 O PHE A 71 -11.492 -2.168 -3.911 1.00 1.15 O ATOM 1103 CB PHE A 71 -8.343 -1.156 -2.931 1.00 0.90 C ATOM 1104 CG PHE A 71 -7.499 -0.397 -1.921 1.00 1.26 C ATOM 1105 CD1 PHE A 71 -7.933 -0.163 -0.601 1.00 2.53 C ATOM 1106 CD2 PHE A 71 -6.312 0.212 -2.374 1.00 2.26 C ATOM 1107 CE1 PHE A 71 -7.233 0.740 0.218 1.00 3.10 C ATOM 1108 CE2 PHE A 71 -5.643 1.151 -1.574 1.00 2.76 C ATOM 1109 CZ PHE A 71 -6.127 1.444 -0.289 1.00 2.70 C ATOM 0 H PHE A 71 -8.357 -3.390 -1.750 1.00 0.69 H new ATOM 0 HA PHE A 71 -10.263 -1.181 -1.948 1.00 0.80 H new ATOM 0 HB2 PHE A 71 -7.698 -1.892 -3.410 1.00 0.90 H new ATOM 0 HB3 PHE A 71 -8.647 -0.448 -3.702 1.00 0.90 H new ATOM 0 HD1 PHE A 71 -8.803 -0.677 -0.219 1.00 2.53 H new ATOM 0 HD2 PHE A 71 -5.914 -0.046 -3.344 1.00 2.26 H new ATOM 0 HE1 PHE A 71 -7.546 0.893 1.240 1.00 3.10 H new ATOM 0 HE2 PHE A 71 -4.758 1.647 -1.946 1.00 2.76 H new ATOM 0 HZ PHE A 71 -5.651 2.208 0.308 1.00 2.70 H new ATOM 1119 N GLU A 72 -9.632 -3.353 -4.401 1.00 0.80 N ATOM 1120 CA GLU A 72 -10.105 -4.037 -5.596 1.00 0.99 C ATOM 1121 C GLU A 72 -10.369 -5.498 -5.227 1.00 1.18 C ATOM 1122 O GLU A 72 -10.158 -5.888 -4.083 1.00 2.20 O ATOM 1123 CB GLU A 72 -9.028 -3.927 -6.692 1.00 1.05 C ATOM 1124 CG GLU A 72 -9.620 -3.709 -8.090 1.00 1.10 C ATOM 1125 CD GLU A 72 -10.127 -2.282 -8.256 1.00 1.86 C ATOM 1126 OE1 GLU A 72 -9.261 -1.382 -8.299 1.00 2.99 O ATOM 1127 OE2 GLU A 72 -11.364 -2.128 -8.328 1.00 2.84 O ATOM 0 H GLU A 72 -8.669 -3.598 -4.170 1.00 0.80 H new ATOM 0 HA GLU A 72 -11.024 -3.590 -5.975 1.00 0.99 H new ATOM 0 HB2 GLU A 72 -8.357 -3.101 -6.454 1.00 1.05 H new ATOM 0 HB3 GLU A 72 -8.426 -4.836 -6.695 1.00 1.05 H new ATOM 0 HG2 GLU A 72 -8.863 -3.919 -8.845 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -10.438 -4.410 -8.255 1.00 1.10 H new ATOM 1134 N SER A 73 -10.793 -6.319 -6.192 1.00 1.26 N ATOM 1135 CA SER A 73 -11.030 -7.745 -5.980 1.00 1.22 C ATOM 1136 C SER A 73 -10.218 -8.588 -6.959 1.00 1.38 C ATOM 1137 O SER A 73 -10.751 -9.505 -7.581 1.00 2.50 O ATOM 1138 CB SER A 73 -12.529 -8.046 -6.114 1.00 1.40 C ATOM 1139 OG SER A 73 -13.284 -7.217 -5.252 1.00 2.06 O ATOM 0 H SER A 73 -10.982 -6.009 -7.145 1.00 1.26 H new ATOM 0 HA SER A 73 -10.705 -8.007 -4.973 1.00 1.22 H new ATOM 0 HB2 SER A 73 -12.845 -7.891 -7.145 1.00 1.40 H new ATOM 0 HB3 SER A 73 -12.717 -9.093 -5.877 1.00 1.40 H new ATOM 0 HG SER A 73 -14.237 -7.422 -5.353 1.00 2.06 H new ATOM 1145 N GLY A 74 -8.930 -8.278 -7.099 1.00 1.04 N ATOM 1146 CA GLY A 74 -8.039 -9.010 -7.983 1.00 1.16 C ATOM 1147 C GLY A 74 -6.893 -8.115 -8.424 1.00 0.98 C ATOM 1148 O GLY A 74 -6.733 -7.875 -9.619 1.00 1.11 O ATOM 0 H GLY A 74 -8.479 -7.511 -6.600 1.00 1.04 H new ATOM 0 HA2 GLY A 74 -7.648 -9.890 -7.472 1.00 1.16 H new ATOM 0 HA3 GLY A 74 -8.589 -9.366 -8.854 1.00 1.16 H new ATOM 1152 N ALA A 75 -6.111 -7.606 -7.467 1.00 0.98 N ATOM 1153 CA ALA A 75 -4.932 -6.828 -7.794 1.00 1.05 C ATOM 1154 C ALA A 75 -3.733 -7.775 -7.884 1.00 1.14 C ATOM 1155 O ALA A 75 -3.862 -8.890 -8.389 1.00 1.64 O ATOM 1156 CB ALA A 75 -4.770 -5.702 -6.772 1.00 1.07 C ATOM 0 H ALA A 75 -6.279 -7.723 -6.468 1.00 0.98 H new ATOM 0 HA ALA A 75 -5.021 -6.341 -8.765 1.00 1.05 H new ATOM 0 HB1 ALA A 75 -3.884 -5.115 -7.015 1.00 1.07 H new ATOM 0 HB2 ALA A 75 -5.650 -5.059 -6.797 1.00 1.07 H new ATOM 0 HB3 ALA A 75 -4.660 -6.129 -5.775 1.00 1.07 H new ATOM 1162 N ARG A 76 -2.561 -7.332 -7.421 1.00 0.89 N ATOM 1163 CA ARG A 76 -1.319 -8.077 -7.516 1.00 0.87 C ATOM 1164 C ARG A 76 -0.704 -8.280 -6.130 1.00 0.57 C ATOM 1165 O ARG A 76 0.506 -8.180 -5.942 1.00 1.14 O ATOM 1166 CB ARG A 76 -0.408 -7.314 -8.475 1.00 1.30 C ATOM 1167 CG ARG A 76 0.823 -8.145 -8.824 1.00 1.42 C ATOM 1168 CD ARG A 76 1.028 -8.119 -10.346 1.00 1.61 C ATOM 1169 NE ARG A 76 2.265 -8.814 -10.702 1.00 2.64 N ATOM 1170 CZ ARG A 76 2.465 -10.015 -11.262 1.00 3.97 C ATOM 1171 NH1 ARG A 76 1.433 -10.753 -11.682 1.00 4.65 N ATOM 1172 NH2 ARG A 76 3.714 -10.482 -11.368 1.00 5.02 N ATOM 0 H ARG A 76 -2.455 -6.427 -6.962 1.00 0.89 H new ATOM 0 HA ARG A 76 -1.482 -9.081 -7.908 1.00 0.87 H new ATOM 0 HB2 ARG A 76 -0.955 -7.066 -9.384 1.00 1.30 H new ATOM 0 HB3 ARG A 76 -0.100 -6.372 -8.021 1.00 1.30 H new ATOM 0 HG2 ARG A 76 1.702 -7.746 -8.319 1.00 1.42 H new ATOM 0 HG3 ARG A 76 0.695 -9.171 -8.479 1.00 1.42 H new ATOM 0 HD2 ARG A 76 0.181 -8.592 -10.842 1.00 1.61 H new ATOM 0 HD3 ARG A 76 1.068 -7.088 -10.697 1.00 1.61 H new ATOM 0 HE ARG A 76 3.118 -8.298 -10.488 1.00 2.64 H new ATOM 0 HH11 ARG A 76 0.480 -10.404 -11.578 1.00 4.65 H new ATOM 0 HH12 ARG A 76 1.598 -11.666 -12.107 1.00 4.65 H new ATOM 0 HH21 ARG A 76 4.497 -9.926 -11.025 1.00 5.02 H new ATOM 0 HH22 ARG A 76 3.883 -11.394 -11.792 1.00 5.02 H new ATOM 1186 N GLU A 77 -1.560 -8.593 -5.162 1.00 0.69 N ATOM 1187 CA GLU A 77 -1.201 -8.880 -3.786 1.00 0.54 C ATOM 1188 C GLU A 77 -0.629 -10.295 -3.705 1.00 0.44 C ATOM 1189 O GLU A 77 0.299 -10.585 -2.958 1.00 0.43 O ATOM 1190 CB GLU A 77 -2.414 -8.710 -2.861 1.00 0.71 C ATOM 1191 CG GLU A 77 -3.375 -7.587 -3.281 1.00 1.18 C ATOM 1192 CD GLU A 77 -4.390 -8.037 -4.325 1.00 3.30 C ATOM 1193 OE1 GLU A 77 -4.131 -9.082 -4.960 1.00 4.78 O ATOM 1194 OE2 GLU A 77 -5.439 -7.378 -4.457 1.00 4.21 O ATOM 0 H GLU A 77 -2.565 -8.655 -5.327 1.00 0.69 H new ATOM 0 HA GLU A 77 -0.442 -8.174 -3.451 1.00 0.54 H new ATOM 0 HB2 GLU A 77 -2.965 -9.650 -2.826 1.00 0.71 H new ATOM 0 HB3 GLU A 77 -2.060 -8.511 -1.850 1.00 0.71 H new ATOM 0 HG2 GLU A 77 -3.904 -7.220 -2.401 1.00 1.18 H new ATOM 0 HG3 GLU A 77 -2.799 -6.751 -3.678 1.00 1.18 H new ATOM 1201 N LEU A 78 -1.215 -11.181 -4.511 1.00 0.52 N ATOM 1202 CA LEU A 78 -0.813 -12.569 -4.633 1.00 0.58 C ATOM 1203 C LEU A 78 0.685 -12.670 -4.935 1.00 0.59 C ATOM 1204 O LEU A 78 1.375 -13.498 -4.342 1.00 0.68 O ATOM 1205 CB LEU A 78 -1.629 -13.303 -5.714 1.00 0.74 C ATOM 1206 CG LEU A 78 -3.155 -13.086 -5.719 1.00 0.85 C ATOM 1207 CD1 LEU A 78 -3.771 -12.906 -4.325 1.00 0.80 C ATOM 1208 CD2 LEU A 78 -3.566 -11.963 -6.686 1.00 0.99 C ATOM 0 H LEU A 78 -2.004 -10.939 -5.111 1.00 0.52 H new ATOM 0 HA LEU A 78 -1.014 -13.055 -3.678 1.00 0.58 H new ATOM 0 HB2 LEU A 78 -1.243 -13.004 -6.689 1.00 0.74 H new ATOM 0 HB3 LEU A 78 -1.441 -14.372 -5.611 1.00 0.74 H new ATOM 0 HG LEU A 78 -3.579 -14.018 -6.092 1.00 0.85 H new ATOM 0 HD11 LEU A 78 -4.847 -12.759 -4.419 1.00 0.80 H new ATOM 0 HD12 LEU A 78 -3.577 -13.795 -3.724 1.00 0.80 H new ATOM 0 HD13 LEU A 78 -3.327 -12.036 -3.840 1.00 0.80 H new ATOM 0 HD21 LEU A 78 -4.649 -11.840 -6.662 1.00 0.99 H new ATOM 0 HD22 LEU A 78 -3.088 -11.031 -6.385 1.00 0.99 H new ATOM 0 HD23 LEU A 78 -3.253 -12.221 -7.698 1.00 0.99 H new ATOM 1220 N THR A 79 1.190 -11.848 -5.864 1.00 0.57 N ATOM 1221 CA THR A 79 2.603 -11.875 -6.201 1.00 0.61 C ATOM 1222 C THR A 79 3.438 -11.370 -5.032 1.00 0.53 C ATOM 1223 O THR A 79 3.442 -10.180 -4.704 1.00 0.48 O ATOM 1224 CB THR A 79 2.936 -11.066 -7.454 1.00 0.69 C ATOM 1225 OG1 THR A 79 2.094 -11.418 -8.519 1.00 0.91 O ATOM 1226 CG2 THR A 79 4.361 -11.411 -7.902 1.00 1.02 C ATOM 0 H THR A 79 0.641 -11.166 -6.386 1.00 0.57 H new ATOM 0 HA THR A 79 2.847 -12.916 -6.414 1.00 0.61 H new ATOM 0 HB THR A 79 2.819 -10.010 -7.211 1.00 0.69 H new ATOM 0 HG1 THR A 79 2.610 -11.901 -9.198 1.00 0.91 H new ATOM 0 HG21 THR A 79 4.610 -10.839 -8.796 1.00 1.02 H new ATOM 0 HG22 THR A 79 5.063 -11.163 -7.106 1.00 1.02 H new ATOM 0 HG23 THR A 79 4.425 -12.476 -8.123 1.00 1.02 H new ATOM 1234 N GLU A 80 4.217 -12.286 -4.469 1.00 0.57 N ATOM 1235 CA GLU A 80 5.118 -11.981 -3.380 1.00 0.55 C ATOM 1236 C GLU A 80 6.121 -10.902 -3.785 1.00 0.50 C ATOM 1237 O GLU A 80 6.345 -9.991 -2.998 1.00 0.46 O ATOM 1238 CB GLU A 80 5.760 -13.257 -2.843 1.00 0.63 C ATOM 1239 CG GLU A 80 6.598 -14.018 -3.880 1.00 1.77 C ATOM 1240 CD GLU A 80 6.983 -15.388 -3.343 1.00 1.99 C ATOM 1241 OE1 GLU A 80 7.795 -15.413 -2.395 1.00 2.84 O ATOM 1242 OE2 GLU A 80 6.432 -16.378 -3.871 1.00 2.43 O ATOM 0 H GLU A 80 4.237 -13.263 -4.761 1.00 0.57 H new ATOM 0 HA GLU A 80 4.553 -11.557 -2.550 1.00 0.55 H new ATOM 0 HB2 GLU A 80 6.395 -13.003 -1.994 1.00 0.63 H new ATOM 0 HB3 GLU A 80 4.977 -13.916 -2.469 1.00 0.63 H new ATOM 0 HG2 GLU A 80 6.032 -14.128 -4.805 1.00 1.77 H new ATOM 0 HG3 GLU A 80 7.496 -13.449 -4.121 1.00 1.77 H new ATOM 1249 N SER A 81 6.679 -10.956 -5.001 1.00 0.55 N ATOM 1250 CA SER A 81 7.540 -9.917 -5.543 1.00 0.51 C ATOM 1251 C SER A 81 6.925 -8.525 -5.348 1.00 0.48 C ATOM 1252 O SER A 81 7.501 -7.691 -4.657 1.00 0.50 O ATOM 1253 CB SER A 81 7.837 -10.237 -7.013 1.00 0.56 C ATOM 1254 OG SER A 81 8.313 -11.565 -7.116 1.00 1.38 O ATOM 0 H SER A 81 6.538 -11.739 -5.640 1.00 0.55 H new ATOM 0 HA SER A 81 8.485 -9.898 -5.000 1.00 0.51 H new ATOM 0 HB2 SER A 81 6.935 -10.114 -7.613 1.00 0.56 H new ATOM 0 HB3 SER A 81 8.579 -9.541 -7.406 1.00 0.56 H new ATOM 0 HG SER A 81 8.502 -11.773 -8.055 1.00 1.38 H new ATOM 1260 N GLU A 82 5.741 -8.279 -5.908 1.00 0.53 N ATOM 1261 CA GLU A 82 5.144 -6.953 -5.934 1.00 0.49 C ATOM 1262 C GLU A 82 4.740 -6.538 -4.526 1.00 0.46 C ATOM 1263 O GLU A 82 4.957 -5.391 -4.130 1.00 0.55 O ATOM 1264 CB GLU A 82 3.947 -6.925 -6.892 1.00 0.52 C ATOM 1265 CG GLU A 82 4.356 -6.795 -8.372 1.00 0.87 C ATOM 1266 CD GLU A 82 5.170 -7.941 -8.933 1.00 2.10 C ATOM 1267 OE1 GLU A 82 6.302 -8.139 -8.459 1.00 3.41 O ATOM 1268 OE2 GLU A 82 4.677 -8.559 -9.895 1.00 2.67 O ATOM 0 H GLU A 82 5.172 -8.997 -6.356 1.00 0.53 H new ATOM 0 HA GLU A 82 5.878 -6.236 -6.301 1.00 0.49 H new ATOM 0 HB2 GLU A 82 3.364 -7.837 -6.762 1.00 0.52 H new ATOM 0 HB3 GLU A 82 3.297 -6.091 -6.627 1.00 0.52 H new ATOM 0 HG2 GLU A 82 3.452 -6.689 -8.971 1.00 0.87 H new ATOM 0 HG3 GLU A 82 4.928 -5.875 -8.492 1.00 0.87 H new ATOM 1275 N THR A 83 4.191 -7.476 -3.747 1.00 0.41 N ATOM 1276 CA THR A 83 3.952 -7.216 -2.338 1.00 0.42 C ATOM 1277 C THR A 83 5.258 -6.738 -1.693 1.00 0.42 C ATOM 1278 O THR A 83 5.301 -5.750 -0.957 1.00 0.48 O ATOM 1279 CB THR A 83 3.422 -8.482 -1.637 1.00 0.49 C ATOM 1280 OG1 THR A 83 2.025 -8.485 -1.747 1.00 0.63 O ATOM 1281 CG2 THR A 83 3.729 -8.562 -0.134 1.00 0.66 C ATOM 0 H THR A 83 3.911 -8.403 -4.067 1.00 0.41 H new ATOM 0 HA THR A 83 3.194 -6.440 -2.232 1.00 0.42 H new ATOM 0 HB THR A 83 3.918 -9.322 -2.124 1.00 0.49 H new ATOM 0 HG1 THR A 83 1.733 -9.315 -2.179 1.00 0.63 H new ATOM 0 HG21 THR A 83 3.318 -9.486 0.273 1.00 0.66 H new ATOM 0 HG22 THR A 83 4.808 -8.547 0.018 1.00 0.66 H new ATOM 0 HG23 THR A 83 3.279 -7.710 0.375 1.00 0.66 H new ATOM 1289 N LYS A 84 6.333 -7.469 -1.974 1.00 0.39 N ATOM 1290 CA LYS A 84 7.631 -7.259 -1.388 1.00 0.41 C ATOM 1291 C LYS A 84 8.271 -5.969 -1.895 1.00 0.43 C ATOM 1292 O LYS A 84 9.044 -5.373 -1.161 1.00 0.46 O ATOM 1293 CB LYS A 84 8.507 -8.505 -1.558 1.00 0.48 C ATOM 1294 CG LYS A 84 9.898 -8.300 -0.955 1.00 1.95 C ATOM 1295 CD LYS A 84 10.479 -9.642 -0.490 1.00 2.11 C ATOM 1296 CE LYS A 84 12.004 -9.587 -0.334 1.00 3.62 C ATOM 1297 NZ LYS A 84 12.442 -8.474 0.533 1.00 4.90 N ATOM 0 H LYS A 84 6.313 -8.244 -2.637 1.00 0.39 H new ATOM 0 HA LYS A 84 7.518 -7.115 -0.313 1.00 0.41 H new ATOM 0 HB2 LYS A 84 8.025 -9.358 -1.081 1.00 0.48 H new ATOM 0 HB3 LYS A 84 8.600 -8.743 -2.617 1.00 0.48 H new ATOM 0 HG2 LYS A 84 10.559 -7.846 -1.693 1.00 1.95 H new ATOM 0 HG3 LYS A 84 9.839 -7.610 -0.113 1.00 1.95 H new ATOM 0 HD2 LYS A 84 10.027 -9.922 0.462 1.00 2.11 H new ATOM 0 HD3 LYS A 84 10.216 -10.419 -1.208 1.00 2.11 H new ATOM 0 HE2 LYS A 84 12.358 -10.530 0.083 1.00 3.62 H new ATOM 0 HE3 LYS A 84 12.463 -9.481 -1.317 1.00 3.62 H new ATOM 0 HZ1 LYS A 84 13.459 -8.568 0.731 1.00 4.90 H new ATOM 0 HZ2 LYS A 84 12.265 -7.569 0.052 1.00 4.90 H new ATOM 0 HZ3 LYS A 84 11.911 -8.501 1.427 1.00 4.90 H new ATOM 1311 N SER A 85 7.959 -5.495 -3.100 1.00 0.46 N ATOM 1312 CA SER A 85 8.331 -4.161 -3.541 1.00 0.53 C ATOM 1313 C SER A 85 7.798 -3.116 -2.556 1.00 0.48 C ATOM 1314 O SER A 85 8.549 -2.238 -2.132 1.00 0.52 O ATOM 1315 CB SER A 85 7.810 -3.883 -4.952 1.00 0.64 C ATOM 1316 OG SER A 85 8.330 -4.800 -5.883 1.00 1.31 O ATOM 0 H SER A 85 7.440 -6.030 -3.796 1.00 0.46 H new ATOM 0 HA SER A 85 9.419 -4.099 -3.569 1.00 0.53 H new ATOM 0 HB2 SER A 85 6.721 -3.936 -4.956 1.00 0.64 H new ATOM 0 HB3 SER A 85 8.081 -2.869 -5.248 1.00 0.64 H new ATOM 0 HG SER A 85 8.107 -4.506 -6.791 1.00 1.31 H new ATOM 1322 N LEU A 86 6.517 -3.208 -2.170 1.00 0.44 N ATOM 1323 CA LEU A 86 5.996 -2.343 -1.115 1.00 0.42 C ATOM 1324 C LEU A 86 6.766 -2.596 0.176 1.00 0.32 C ATOM 1325 O LEU A 86 7.370 -1.665 0.714 1.00 0.35 O ATOM 1326 CB LEU A 86 4.482 -2.521 -0.904 1.00 0.54 C ATOM 1327 CG LEU A 86 3.670 -1.539 -1.755 1.00 1.05 C ATOM 1328 CD1 LEU A 86 2.205 -1.987 -1.796 1.00 2.26 C ATOM 1329 CD2 LEU A 86 3.722 -0.107 -1.197 1.00 1.99 C ATOM 0 H LEU A 86 5.839 -3.860 -2.566 1.00 0.44 H new ATOM 0 HA LEU A 86 6.140 -1.308 -1.425 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.197 -3.542 -1.156 1.00 0.54 H new ATOM 0 HB3 LEU A 86 4.242 -2.374 0.149 1.00 0.54 H new ATOM 0 HG LEU A 86 4.109 -1.537 -2.753 1.00 1.05 H new ATOM 0 HD11 LEU A 86 1.628 -1.288 -2.401 1.00 2.26 H new ATOM 0 HD12 LEU A 86 2.141 -2.984 -2.232 1.00 2.26 H new ATOM 0 HD13 LEU A 86 1.802 -2.008 -0.783 1.00 2.26 H new ATOM 0 HD21 LEU A 86 3.132 0.553 -1.833 1.00 1.99 H new ATOM 0 HD22 LEU A 86 3.315 -0.095 -0.186 1.00 1.99 H new ATOM 0 HD23 LEU A 86 4.756 0.238 -1.176 1.00 1.99 H new ATOM 1341 N MET A 87 6.755 -3.846 0.656 1.00 0.29 N ATOM 1342 CA MET A 87 7.422 -4.201 1.906 1.00 0.31 C ATOM 1343 C MET A 87 8.845 -3.633 1.991 1.00 0.35 C ATOM 1344 O MET A 87 9.257 -3.131 3.028 1.00 0.46 O ATOM 1345 CB MET A 87 7.454 -5.725 2.083 1.00 0.39 C ATOM 1346 CG MET A 87 7.860 -6.169 3.499 1.00 0.69 C ATOM 1347 SD MET A 87 9.141 -7.448 3.585 1.00 1.93 S ATOM 1348 CE MET A 87 10.580 -6.487 3.066 1.00 3.48 C ATOM 0 H MET A 87 6.289 -4.627 0.193 1.00 0.29 H new ATOM 0 HA MET A 87 6.843 -3.753 2.713 1.00 0.31 H new ATOM 0 HB2 MET A 87 6.469 -6.131 1.852 1.00 0.39 H new ATOM 0 HB3 MET A 87 8.152 -6.152 1.363 1.00 0.39 H new ATOM 0 HG2 MET A 87 8.209 -5.294 4.048 1.00 0.69 H new ATOM 0 HG3 MET A 87 6.972 -6.535 4.014 1.00 0.69 H new ATOM 0 HE1 MET A 87 11.463 -7.126 3.063 1.00 3.48 H new ATOM 0 HE2 MET A 87 10.413 -6.095 2.063 1.00 3.48 H new ATOM 0 HE3 MET A 87 10.734 -5.659 3.758 1.00 3.48 H new ATOM 1358 N ALA A 88 9.599 -3.734 0.898 1.00 0.42 N ATOM 1359 CA ALA A 88 11.007 -3.390 0.800 1.00 0.51 C ATOM 1360 C ALA A 88 11.264 -1.944 1.215 1.00 0.48 C ATOM 1361 O ALA A 88 12.206 -1.678 1.955 1.00 0.56 O ATOM 1362 CB ALA A 88 11.485 -3.652 -0.635 1.00 0.62 C ATOM 0 H ALA A 88 9.220 -4.076 0.015 1.00 0.42 H new ATOM 0 HA ALA A 88 11.574 -4.015 1.490 1.00 0.51 H new ATOM 0 HB1 ALA A 88 12.541 -3.397 -0.719 1.00 0.62 H new ATOM 0 HB2 ALA A 88 11.346 -4.705 -0.878 1.00 0.62 H new ATOM 0 HB3 ALA A 88 10.908 -3.040 -1.328 1.00 0.62 H new ATOM 1368 N ALA A 89 10.446 -1.009 0.727 1.00 0.45 N ATOM 1369 CA ALA A 89 10.586 0.397 1.087 1.00 0.50 C ATOM 1370 C ALA A 89 9.859 0.690 2.391 1.00 0.42 C ATOM 1371 O ALA A 89 10.373 1.414 3.238 1.00 0.50 O ATOM 1372 CB ALA A 89 10.017 1.276 -0.018 1.00 0.68 C ATOM 0 H ALA A 89 9.681 -1.204 0.082 1.00 0.45 H new ATOM 0 HA ALA A 89 11.646 0.614 1.216 1.00 0.50 H new ATOM 0 HB1 ALA A 89 10.126 2.325 0.259 1.00 0.68 H new ATOM 0 HB2 ALA A 89 10.556 1.088 -0.946 1.00 0.68 H new ATOM 0 HB3 ALA A 89 8.961 1.045 -0.159 1.00 0.68 H new ATOM 1378 N ALA A 90 8.635 0.169 2.522 1.00 0.35 N ATOM 1379 CA ALA A 90 7.794 0.422 3.679 1.00 0.36 C ATOM 1380 C ALA A 90 8.518 0.028 4.961 1.00 0.33 C ATOM 1381 O ALA A 90 8.503 0.780 5.932 1.00 0.36 O ATOM 1382 CB ALA A 90 6.490 -0.359 3.534 1.00 0.35 C ATOM 0 H ALA A 90 8.206 -0.439 1.824 1.00 0.35 H new ATOM 0 HA ALA A 90 7.568 1.487 3.736 1.00 0.36 H new ATOM 0 HB1 ALA A 90 5.856 -0.172 4.400 1.00 0.35 H new ATOM 0 HB2 ALA A 90 5.973 -0.039 2.630 1.00 0.35 H new ATOM 0 HB3 ALA A 90 6.710 -1.425 3.468 1.00 0.35 H new ATOM 1388 N ASP A 91 9.153 -1.146 4.967 1.00 0.30 N ATOM 1389 CA ASP A 91 9.919 -1.591 6.112 1.00 0.29 C ATOM 1390 C ASP A 91 11.224 -0.801 6.193 1.00 0.34 C ATOM 1391 O ASP A 91 12.293 -1.295 5.836 1.00 0.93 O ATOM 1392 CB ASP A 91 10.175 -3.100 6.086 1.00 0.36 C ATOM 1393 CG ASP A 91 10.836 -3.507 7.391 1.00 0.49 C ATOM 1394 OD1 ASP A 91 10.103 -3.621 8.398 1.00 0.84 O ATOM 1395 OD2 ASP A 91 12.066 -3.705 7.417 1.00 0.56 O ATOM 0 H ASP A 91 9.146 -1.801 4.185 1.00 0.30 H new ATOM 0 HA ASP A 91 9.333 -1.399 7.011 1.00 0.29 H new ATOM 0 HB2 ASP A 91 9.237 -3.640 5.954 1.00 0.36 H new ATOM 0 HB3 ASP A 91 10.814 -3.360 5.242 1.00 0.36 H new ATOM 1400 N ASN A 92 11.158 0.436 6.678 1.00 0.87 N ATOM 1401 CA ASN A 92 12.336 1.285 6.843 1.00 0.99 C ATOM 1402 C ASN A 92 13.170 0.874 8.068 1.00 0.95 C ATOM 1403 O ASN A 92 13.609 1.736 8.828 1.00 1.25 O ATOM 1404 CB ASN A 92 11.926 2.767 6.853 1.00 1.29 C ATOM 1405 CG ASN A 92 10.900 3.129 7.928 1.00 1.48 C ATOM 1406 OD1 ASN A 92 9.770 3.475 7.607 1.00 2.70 O ATOM 1407 ND2 ASN A 92 11.268 3.067 9.202 1.00 2.62 N ATOM 0 H ASN A 92 10.286 0.879 6.968 1.00 0.87 H new ATOM 0 HA ASN A 92 12.994 1.142 5.986 1.00 0.99 H new ATOM 0 HB2 ASN A 92 12.817 3.377 6.998 1.00 1.29 H new ATOM 0 HB3 ASN A 92 11.518 3.026 5.876 1.00 1.29 H new ATOM 0 HD21 ASN A 92 10.604 3.310 9.937 1.00 2.62 H new ATOM 0 HD22 ASN A 92 12.215 2.776 9.446 1.00 2.62 H new ATOM 1414 N ASP A 93 13.410 -0.431 8.237 1.00 0.78 N ATOM 1415 CA ASP A 93 14.133 -1.020 9.358 1.00 0.77 C ATOM 1416 C ASP A 93 15.115 -2.063 8.832 1.00 0.71 C ATOM 1417 O ASP A 93 16.315 -1.987 9.091 1.00 0.83 O ATOM 1418 CB ASP A 93 13.165 -1.741 10.304 1.00 0.83 C ATOM 1419 CG ASP A 93 12.242 -0.832 11.092 1.00 1.03 C ATOM 1420 OD1 ASP A 93 12.740 0.130 11.710 1.00 1.57 O ATOM 1421 OD2 ASP A 93 11.034 -1.165 11.086 1.00 0.85 O ATOM 0 H ASP A 93 13.091 -1.130 7.566 1.00 0.78 H new ATOM 0 HA ASP A 93 14.649 -0.220 9.888 1.00 0.77 H new ATOM 0 HB2 ASP A 93 12.558 -2.432 9.720 1.00 0.83 H new ATOM 0 HB3 ASP A 93 13.745 -2.341 11.005 1.00 0.83 H new ATOM 1426 N GLY A 94 14.581 -3.071 8.137 1.00 0.64 N ATOM 1427 CA GLY A 94 15.256 -4.323 7.848 1.00 0.72 C ATOM 1428 C GLY A 94 14.725 -5.429 8.765 1.00 0.71 C ATOM 1429 O GLY A 94 15.513 -6.200 9.310 1.00 0.87 O ATOM 0 H GLY A 94 13.638 -3.029 7.751 1.00 0.64 H new ATOM 0 HA2 GLY A 94 15.099 -4.598 6.805 1.00 0.72 H new ATOM 0 HA3 GLY A 94 16.331 -4.207 7.989 1.00 0.72 H new ATOM 1433 N ASP A 95 13.396 -5.516 8.914 1.00 0.56 N ATOM 1434 CA ASP A 95 12.697 -6.605 9.590 1.00 0.53 C ATOM 1435 C ASP A 95 11.654 -7.216 8.644 1.00 0.48 C ATOM 1436 O ASP A 95 11.782 -8.385 8.288 1.00 0.60 O ATOM 1437 CB ASP A 95 12.156 -6.193 10.977 1.00 0.54 C ATOM 1438 CG ASP A 95 11.105 -5.095 10.986 1.00 0.70 C ATOM 1439 OD1 ASP A 95 9.957 -5.319 10.571 1.00 1.39 O ATOM 1440 OD2 ASP A 95 11.370 -3.952 11.396 1.00 1.97 O ATOM 0 H ASP A 95 12.761 -4.804 8.553 1.00 0.56 H new ATOM 0 HA ASP A 95 13.408 -7.398 9.824 1.00 0.53 H new ATOM 0 HB2 ASP A 95 11.734 -7.076 11.457 1.00 0.54 H new ATOM 0 HB3 ASP A 95 12.996 -5.868 11.590 1.00 0.54 H new ATOM 1445 N GLY A 96 10.659 -6.442 8.204 1.00 0.41 N ATOM 1446 CA GLY A 96 9.625 -6.871 7.266 1.00 0.40 C ATOM 1447 C GLY A 96 8.223 -6.588 7.807 1.00 0.45 C ATOM 1448 O GLY A 96 7.273 -6.448 7.039 1.00 0.70 O ATOM 0 H GLY A 96 10.550 -5.472 8.500 1.00 0.41 H new ATOM 0 HA2 GLY A 96 9.759 -6.356 6.315 1.00 0.40 H new ATOM 0 HA3 GLY A 96 9.731 -7.938 7.069 1.00 0.40 H new ATOM 1452 N LYS A 97 8.090 -6.495 9.133 1.00 0.42 N ATOM 1453 CA LYS A 97 6.861 -6.142 9.812 1.00 0.47 C ATOM 1454 C LYS A 97 6.743 -4.620 9.750 1.00 0.46 C ATOM 1455 O LYS A 97 7.574 -3.904 10.317 1.00 0.57 O ATOM 1456 CB LYS A 97 6.917 -6.638 11.264 1.00 0.52 C ATOM 1457 CG LYS A 97 7.209 -8.144 11.358 1.00 1.73 C ATOM 1458 CD LYS A 97 7.331 -8.594 12.821 1.00 1.76 C ATOM 1459 CE LYS A 97 5.942 -8.851 13.421 1.00 3.38 C ATOM 1460 NZ LYS A 97 5.980 -9.080 14.876 1.00 4.21 N ATOM 0 H LYS A 97 8.864 -6.670 9.774 1.00 0.42 H new ATOM 0 HA LYS A 97 5.992 -6.604 9.343 1.00 0.47 H new ATOM 0 HB2 LYS A 97 7.687 -6.087 11.804 1.00 0.52 H new ATOM 0 HB3 LYS A 97 5.968 -6.423 11.755 1.00 0.52 H new ATOM 0 HG2 LYS A 97 6.412 -8.703 10.868 1.00 1.73 H new ATOM 0 HG3 LYS A 97 8.133 -8.372 10.826 1.00 1.73 H new ATOM 0 HD2 LYS A 97 7.933 -9.501 12.880 1.00 1.76 H new ATOM 0 HD3 LYS A 97 7.849 -7.830 13.401 1.00 1.76 H new ATOM 0 HE2 LYS A 97 5.297 -7.998 13.209 1.00 3.38 H new ATOM 0 HE3 LYS A 97 5.496 -9.718 12.933 1.00 3.38 H new ATOM 0 HZ1 LYS A 97 5.015 -9.248 15.226 1.00 4.21 H new ATOM 0 HZ2 LYS A 97 6.572 -9.910 15.081 1.00 4.21 H new ATOM 0 HZ3 LYS A 97 6.379 -8.244 15.349 1.00 4.21 H new ATOM 1474 N ILE A 98 5.740 -4.119 9.034 1.00 0.46 N ATOM 1475 CA ILE A 98 5.530 -2.688 8.854 1.00 0.41 C ATOM 1476 C ILE A 98 4.525 -2.242 9.912 1.00 0.44 C ATOM 1477 O ILE A 98 3.725 -3.050 10.367 1.00 0.87 O ATOM 1478 CB ILE A 98 5.051 -2.468 7.412 1.00 0.45 C ATOM 1479 CG1 ILE A 98 6.185 -2.878 6.456 1.00 0.58 C ATOM 1480 CG2 ILE A 98 4.609 -1.035 7.094 1.00 0.47 C ATOM 1481 CD1 ILE A 98 5.631 -3.715 5.312 1.00 0.77 C ATOM 0 H ILE A 98 5.047 -4.699 8.560 1.00 0.46 H new ATOM 0 HA ILE A 98 6.432 -2.092 8.988 1.00 0.41 H new ATOM 0 HB ILE A 98 4.160 -3.083 7.283 1.00 0.45 H new ATOM 0 HG12 ILE A 98 6.677 -1.989 6.061 1.00 0.58 H new ATOM 0 HG13 ILE A 98 6.941 -3.446 6.999 1.00 0.58 H new ATOM 0 HG21 ILE A 98 4.288 -0.976 6.054 1.00 0.47 H new ATOM 0 HG22 ILE A 98 3.781 -0.756 7.746 1.00 0.47 H new ATOM 0 HG23 ILE A 98 5.443 -0.353 7.255 1.00 0.47 H new ATOM 0 HD11 ILE A 98 6.443 -3.999 4.642 1.00 0.77 H new ATOM 0 HD12 ILE A 98 5.160 -4.613 5.713 1.00 0.77 H new ATOM 0 HD13 ILE A 98 4.892 -3.134 4.760 1.00 0.77 H new ATOM 1493 N GLY A 99 4.549 -0.977 10.324 1.00 0.75 N ATOM 1494 CA GLY A 99 3.587 -0.416 11.261 1.00 0.74 C ATOM 1495 C GLY A 99 3.073 0.905 10.708 1.00 0.54 C ATOM 1496 O GLY A 99 3.475 1.324 9.624 1.00 0.53 O ATOM 0 H GLY A 99 5.249 -0.305 10.010 1.00 0.75 H new ATOM 0 HA2 GLY A 99 2.759 -1.109 11.412 1.00 0.74 H new ATOM 0 HA3 GLY A 99 4.054 -0.261 12.234 1.00 0.74 H new ATOM 1500 N ALA A 100 2.184 1.579 11.442 1.00 0.55 N ATOM 1501 CA ALA A 100 1.599 2.818 10.960 1.00 0.60 C ATOM 1502 C ALA A 100 2.660 3.897 10.852 1.00 0.56 C ATOM 1503 O ALA A 100 2.598 4.711 9.938 1.00 0.68 O ATOM 1504 CB ALA A 100 0.453 3.279 11.854 1.00 0.70 C ATOM 0 H ALA A 100 1.860 1.285 12.364 1.00 0.55 H new ATOM 0 HA ALA A 100 1.188 2.630 9.968 1.00 0.60 H new ATOM 0 HB1 ALA A 100 0.039 4.209 11.464 1.00 0.70 H new ATOM 0 HB2 ALA A 100 -0.324 2.515 11.872 1.00 0.70 H new ATOM 0 HB3 ALA A 100 0.824 3.443 12.866 1.00 0.70 H new ATOM 1510 N GLU A 101 3.612 3.919 11.788 1.00 0.50 N ATOM 1511 CA GLU A 101 4.739 4.823 11.690 1.00 0.49 C ATOM 1512 C GLU A 101 5.525 4.546 10.411 1.00 0.37 C ATOM 1513 O GLU A 101 5.620 5.432 9.575 1.00 0.41 O ATOM 1514 CB GLU A 101 5.618 4.762 12.941 1.00 0.59 C ATOM 1515 CG GLU A 101 4.996 5.610 14.056 1.00 1.48 C ATOM 1516 CD GLU A 101 5.909 5.669 15.271 1.00 1.52 C ATOM 1517 OE1 GLU A 101 6.989 6.281 15.136 1.00 2.51 O ATOM 1518 OE2 GLU A 101 5.501 5.102 16.307 1.00 2.16 O ATOM 0 H GLU A 101 3.617 3.321 12.614 1.00 0.50 H new ATOM 0 HA GLU A 101 4.363 5.845 11.633 1.00 0.49 H new ATOM 0 HB2 GLU A 101 5.723 3.729 13.273 1.00 0.59 H new ATOM 0 HB3 GLU A 101 6.619 5.126 12.711 1.00 0.59 H new ATOM 0 HG2 GLU A 101 4.808 6.619 13.689 1.00 1.48 H new ATOM 0 HG3 GLU A 101 4.031 5.190 14.342 1.00 1.48 H new ATOM 1525 N GLU A 102 6.041 3.326 10.235 1.00 0.31 N ATOM 1526 CA GLU A 102 6.813 2.969 9.049 1.00 0.26 C ATOM 1527 C GLU A 102 6.035 3.324 7.767 1.00 0.28 C ATOM 1528 O GLU A 102 6.553 3.963 6.850 1.00 0.31 O ATOM 1529 CB GLU A 102 7.180 1.474 9.078 1.00 0.25 C ATOM 1530 CG GLU A 102 7.874 0.992 10.366 1.00 0.59 C ATOM 1531 CD GLU A 102 8.273 -0.481 10.302 1.00 0.60 C ATOM 1532 OE1 GLU A 102 8.803 -0.956 9.279 1.00 1.15 O ATOM 1533 OE2 GLU A 102 8.110 -1.241 11.280 1.00 1.43 O ATOM 0 H GLU A 102 5.935 2.566 10.907 1.00 0.31 H new ATOM 0 HA GLU A 102 7.738 3.546 9.050 1.00 0.26 H new ATOM 0 HB2 GLU A 102 6.271 0.891 8.935 1.00 0.25 H new ATOM 0 HB3 GLU A 102 7.832 1.260 8.231 1.00 0.25 H new ATOM 0 HG2 GLU A 102 8.762 1.598 10.544 1.00 0.59 H new ATOM 0 HG3 GLU A 102 7.207 1.147 11.214 1.00 0.59 H new ATOM 1540 N PHE A 103 4.756 2.931 7.719 1.00 0.31 N ATOM 1541 CA PHE A 103 3.916 3.165 6.556 1.00 0.39 C ATOM 1542 C PHE A 103 3.754 4.665 6.310 1.00 0.39 C ATOM 1543 O PHE A 103 4.039 5.141 5.218 1.00 0.41 O ATOM 1544 CB PHE A 103 2.562 2.465 6.726 1.00 0.50 C ATOM 1545 CG PHE A 103 1.711 2.460 5.470 1.00 1.22 C ATOM 1546 CD1 PHE A 103 2.011 1.558 4.430 1.00 1.55 C ATOM 1547 CD2 PHE A 103 0.635 3.357 5.327 1.00 2.86 C ATOM 1548 CE1 PHE A 103 1.218 1.529 3.270 1.00 2.03 C ATOM 1549 CE2 PHE A 103 -0.176 3.307 4.179 1.00 3.60 C ATOM 1550 CZ PHE A 103 0.115 2.393 3.150 1.00 2.82 C ATOM 0 H PHE A 103 4.285 2.446 8.483 1.00 0.31 H new ATOM 0 HA PHE A 103 4.398 2.738 5.676 1.00 0.39 H new ATOM 0 HB2 PHE A 103 2.733 1.436 7.041 1.00 0.50 H new ATOM 0 HB3 PHE A 103 2.008 2.956 7.526 1.00 0.50 H new ATOM 0 HD1 PHE A 103 2.852 0.887 4.524 1.00 1.55 H new ATOM 0 HD2 PHE A 103 0.432 4.084 6.100 1.00 2.86 H new ATOM 0 HE1 PHE A 103 1.456 0.843 2.471 1.00 2.03 H new ATOM 0 HE2 PHE A 103 -1.023 3.971 4.087 1.00 3.60 H new ATOM 0 HZ PHE A 103 -0.508 2.355 2.269 1.00 2.82 H new ATOM 1560 N GLN A 104 3.311 5.417 7.319 1.00 0.41 N ATOM 1561 CA GLN A 104 3.157 6.863 7.234 1.00 0.44 C ATOM 1562 C GLN A 104 4.473 7.521 6.817 1.00 0.43 C ATOM 1563 O GLN A 104 4.443 8.370 5.942 1.00 0.52 O ATOM 1564 CB GLN A 104 2.653 7.402 8.575 1.00 0.53 C ATOM 1565 CG GLN A 104 2.297 8.890 8.495 1.00 0.79 C ATOM 1566 CD GLN A 104 1.988 9.458 9.878 1.00 1.33 C ATOM 1567 OE1 GLN A 104 1.539 8.748 10.780 1.00 2.17 O ATOM 1568 NE2 GLN A 104 2.229 10.748 10.069 1.00 1.99 N ATOM 0 H GLN A 104 3.047 5.031 8.226 1.00 0.41 H new ATOM 0 HA GLN A 104 2.420 7.106 6.468 1.00 0.44 H new ATOM 0 HB2 GLN A 104 1.776 6.835 8.888 1.00 0.53 H new ATOM 0 HB3 GLN A 104 3.418 7.252 9.337 1.00 0.53 H new ATOM 0 HG2 GLN A 104 3.125 9.441 8.049 1.00 0.79 H new ATOM 0 HG3 GLN A 104 1.435 9.026 7.842 1.00 0.79 H new ATOM 0 HE21 GLN A 104 2.601 11.316 9.307 1.00 1.99 H new ATOM 0 HE22 GLN A 104 2.043 11.173 10.978 1.00 1.99 H new ATOM 1577 N GLU A 105 5.608 7.155 7.415 1.00 0.40 N ATOM 1578 CA GLU A 105 6.921 7.671 7.041 1.00 0.43 C ATOM 1579 C GLU A 105 7.137 7.513 5.543 1.00 0.41 C ATOM 1580 O GLU A 105 7.337 8.494 4.827 1.00 0.46 O ATOM 1581 CB GLU A 105 8.027 6.926 7.808 1.00 0.45 C ATOM 1582 CG GLU A 105 8.336 7.613 9.141 1.00 0.72 C ATOM 1583 CD GLU A 105 9.125 8.900 8.927 1.00 1.94 C ATOM 1584 OE1 GLU A 105 10.314 8.777 8.564 1.00 2.67 O ATOM 1585 OE2 GLU A 105 8.520 9.979 9.109 1.00 3.09 O ATOM 0 H GLU A 105 5.639 6.483 8.182 1.00 0.40 H new ATOM 0 HA GLU A 105 6.965 8.729 7.299 1.00 0.43 H new ATOM 0 HB2 GLU A 105 7.717 5.897 7.990 1.00 0.45 H new ATOM 0 HB3 GLU A 105 8.930 6.884 7.199 1.00 0.45 H new ATOM 0 HG2 GLU A 105 7.405 7.836 9.663 1.00 0.72 H new ATOM 0 HG3 GLU A 105 8.905 6.936 9.779 1.00 0.72 H new ATOM 1592 N MET A 106 7.071 6.273 5.056 1.00 0.38 N ATOM 1593 CA MET A 106 7.273 6.009 3.644 1.00 0.41 C ATOM 1594 C MET A 106 6.289 6.847 2.823 1.00 0.48 C ATOM 1595 O MET A 106 6.671 7.538 1.881 1.00 0.56 O ATOM 1596 CB MET A 106 7.152 4.500 3.403 1.00 0.52 C ATOM 1597 CG MET A 106 7.349 4.156 1.926 1.00 1.41 C ATOM 1598 SD MET A 106 5.821 3.970 0.975 1.00 3.88 S ATOM 1599 CE MET A 106 6.555 3.903 -0.665 1.00 4.73 C ATOM 0 H MET A 106 6.880 5.445 5.620 1.00 0.38 H new ATOM 0 HA MET A 106 8.271 6.305 3.319 1.00 0.41 H new ATOM 0 HB2 MET A 106 7.894 3.973 4.003 1.00 0.52 H new ATOM 0 HB3 MET A 106 6.172 4.154 3.732 1.00 0.52 H new ATOM 0 HG2 MET A 106 7.954 4.936 1.464 1.00 1.41 H new ATOM 0 HG3 MET A 106 7.918 3.229 1.857 1.00 1.41 H new ATOM 0 HE1 MET A 106 6.003 3.194 -1.282 1.00 4.73 H new ATOM 0 HE2 MET A 106 6.513 4.891 -1.123 1.00 4.73 H new ATOM 0 HE3 MET A 106 7.594 3.583 -0.586 1.00 4.73 H new ATOM 1609 N VAL A 107 5.023 6.827 3.235 1.00 0.55 N ATOM 1610 CA VAL A 107 3.935 7.506 2.562 1.00 0.63 C ATOM 1611 C VAL A 107 3.951 9.033 2.801 1.00 0.85 C ATOM 1612 O VAL A 107 3.184 9.771 2.191 1.00 1.40 O ATOM 1613 CB VAL A 107 2.617 6.795 2.923 1.00 0.50 C ATOM 1614 CG1 VAL A 107 1.401 7.450 2.274 1.00 0.60 C ATOM 1615 CG2 VAL A 107 2.632 5.345 2.415 1.00 0.50 C ATOM 0 H VAL A 107 4.725 6.322 4.070 1.00 0.55 H new ATOM 0 HA VAL A 107 4.054 7.433 1.481 1.00 0.63 H new ATOM 0 HB VAL A 107 2.542 6.853 4.009 1.00 0.50 H new ATOM 0 HG11 VAL A 107 0.499 6.909 2.562 1.00 0.60 H new ATOM 0 HG12 VAL A 107 1.325 8.485 2.606 1.00 0.60 H new ATOM 0 HG13 VAL A 107 1.509 7.424 1.190 1.00 0.60 H new ATOM 0 HG21 VAL A 107 1.693 4.857 2.679 1.00 0.50 H new ATOM 0 HG22 VAL A 107 2.752 5.340 1.332 1.00 0.50 H new ATOM 0 HG23 VAL A 107 3.462 4.807 2.874 1.00 0.50 H new ATOM 1625 N HIS A 108 4.833 9.547 3.657 1.00 0.77 N ATOM 1626 CA HIS A 108 5.026 10.975 3.868 1.00 0.90 C ATOM 1627 C HIS A 108 6.098 11.514 2.907 1.00 0.93 C ATOM 1628 O HIS A 108 6.272 12.727 2.806 1.00 1.12 O ATOM 1629 CB HIS A 108 5.377 11.210 5.349 1.00 1.19 C ATOM 1630 CG HIS A 108 5.731 12.622 5.741 1.00 1.61 C ATOM 1631 ND1 HIS A 108 5.172 13.777 5.242 1.00 1.77 N ATOM 1632 CD2 HIS A 108 6.671 12.984 6.670 1.00 2.72 C ATOM 1633 CE1 HIS A 108 5.770 14.812 5.857 1.00 2.06 C ATOM 1634 NE2 HIS A 108 6.681 14.381 6.743 1.00 2.72 N ATOM 0 H HIS A 108 5.444 8.968 4.233 1.00 0.77 H new ATOM 0 HA HIS A 108 4.112 11.526 3.647 1.00 0.90 H new ATOM 0 HB2 HIS A 108 4.530 10.890 5.955 1.00 1.19 H new ATOM 0 HB3 HIS A 108 6.216 10.564 5.607 1.00 1.19 H new ATOM 0 HD2 HIS A 108 7.292 12.312 7.243 1.00 2.72 H new ATOM 0 HE1 HIS A 108 5.547 15.851 5.664 1.00 2.06 H new ATOM 0 HE2 HIS A 108 7.265 14.957 7.349 1.00 2.72 H new ATOM 1642 N SER A 109 6.830 10.616 2.237 1.00 0.95 N ATOM 1643 CA SER A 109 7.962 10.962 1.387 1.00 1.16 C ATOM 1644 C SER A 109 7.569 11.677 0.079 1.00 1.73 C ATOM 1645 O SER A 109 8.524 11.937 -0.688 1.00 2.20 O ATOM 1646 CB SER A 109 8.761 9.683 1.081 1.00 1.10 C ATOM 1647 OG SER A 109 9.937 9.993 0.356 1.00 1.47 O ATOM 1648 OXT SER A 109 6.363 11.900 -0.183 1.00 2.31 O ATOM 0 H SER A 109 6.645 9.614 2.275 1.00 0.95 H new ATOM 0 HA SER A 109 8.570 11.680 1.938 1.00 1.16 H new ATOM 0 HB2 SER A 109 9.023 9.180 2.012 1.00 1.10 H new ATOM 0 HB3 SER A 109 8.145 8.991 0.507 1.00 1.10 H new ATOM 0 HG SER A 109 9.837 10.870 -0.070 1.00 1.47 H new