USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 506 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 54 GLN :FLIP amide:sc=-0.00882 F(o=-1,f=0.19) USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= 0.196 X(o=-0.014,f=0.19) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ -134:sc= 0.121 (180deg=0) USER MOD Set 3.2: A 36 ASN :FLIP amide:sc= 0.0992 F(o=-0.97,f=0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -126:sc= 1.04 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -2.76! C(o=-2.8!,f=-4.7!) USER MOD Single : A 22 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.171 USER MOD Single : A 37 MET CE :methyl -111:sc= 0 (180deg=-0.587) USER MOD Single : A 41 HIS : no HD1:sc= -7.96! C(o=-8!,f=-14!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -104:sc= 1.3 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -6.6! C(o=-6.6!,f=-12!) USER MOD Single : A 56 MET CE :methyl 146:sc= -0.513 (180deg=-1.8) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.683 -10.193 -10.073 1.00 4.48 N ATOM 2 CA MET A 1 -5.138 -10.196 -9.721 1.00 4.26 C ATOM 3 C MET A 1 -5.456 -9.078 -8.715 1.00 3.16 C ATOM 4 O MET A 1 -6.347 -8.279 -8.937 1.00 3.01 O ATOM 5 CB MET A 1 -5.406 -11.572 -9.096 1.00 4.73 C ATOM 6 CG MET A 1 -6.897 -11.698 -8.753 1.00 5.38 C ATOM 7 SD MET A 1 -7.075 -12.141 -7.006 1.00 5.66 S ATOM 8 CE MET A 1 -8.100 -13.617 -7.245 1.00 6.21 C ATOM 0 H1 MET A 1 -3.575 -10.279 -11.104 1.00 4.48 H new ATOM 0 H2 MET A 1 -3.250 -9.303 -9.753 1.00 4.48 H new ATOM 0 H3 MET A 1 -3.211 -10.994 -9.607 1.00 4.48 H new ATOM 0 HA MET A 1 -5.763 -10.019 -10.596 1.00 4.26 H new ATOM 0 HB2 MET A 1 -5.114 -12.361 -9.789 1.00 4.73 H new ATOM 0 HB3 MET A 1 -4.803 -11.698 -8.197 1.00 4.73 H new ATOM 0 HG2 MET A 1 -7.409 -10.757 -8.955 1.00 5.38 H new ATOM 0 HG3 MET A 1 -7.364 -12.456 -9.382 1.00 5.38 H new ATOM 0 HE1 MET A 1 -8.333 -14.059 -6.276 1.00 6.21 H new ATOM 0 HE2 MET A 1 -9.026 -13.339 -7.749 1.00 6.21 H new ATOM 0 HE3 MET A 1 -7.559 -14.341 -7.854 1.00 6.21 H new ATOM 17 N ASP A 2 -4.748 -9.033 -7.605 1.00 2.65 N ATOM 18 CA ASP A 2 -5.008 -7.985 -6.562 1.00 1.68 C ATOM 19 C ASP A 2 -6.454 -8.110 -6.046 1.00 1.46 C ATOM 20 O ASP A 2 -7.109 -9.112 -6.263 1.00 1.88 O ATOM 21 CB ASP A 2 -4.769 -6.633 -7.258 1.00 1.38 C ATOM 22 CG ASP A 2 -3.297 -6.227 -7.105 1.00 0.93 C ATOM 23 OD1 ASP A 2 -2.444 -6.965 -7.575 1.00 1.22 O ATOM 24 OD2 ASP A 2 -3.047 -5.183 -6.525 1.00 1.34 O ATOM 0 H ASP A 2 -3.996 -9.683 -7.377 1.00 2.65 H new ATOM 0 HA ASP A 2 -4.356 -8.091 -5.695 1.00 1.68 H new ATOM 0 HB2 ASP A 2 -5.029 -6.706 -8.314 1.00 1.38 H new ATOM 0 HB3 ASP A 2 -5.414 -5.870 -6.823 1.00 1.38 H new ATOM 29 N HIS A 3 -6.952 -7.114 -5.357 1.00 1.01 N ATOM 30 CA HIS A 3 -8.351 -7.193 -4.823 1.00 0.96 C ATOM 31 C HIS A 3 -9.180 -5.984 -5.272 1.00 0.99 C ATOM 32 O HIS A 3 -8.653 -4.927 -5.565 1.00 1.05 O ATOM 33 CB HIS A 3 -8.196 -7.205 -3.300 1.00 0.96 C ATOM 34 CG HIS A 3 -8.139 -8.627 -2.812 1.00 1.32 C ATOM 35 ND1 HIS A 3 -6.950 -9.332 -2.726 1.00 1.73 N ATOM 36 CD2 HIS A 3 -9.119 -9.490 -2.386 1.00 1.79 C ATOM 37 CE1 HIS A 3 -7.239 -10.562 -2.266 1.00 2.18 C ATOM 38 NE2 HIS A 3 -8.548 -10.712 -2.042 1.00 2.23 N ATOM 0 H HIS A 3 -6.454 -6.251 -5.140 1.00 1.01 H new ATOM 0 HA HIS A 3 -8.874 -8.076 -5.190 1.00 0.96 H new ATOM 0 HB2 HIS A 3 -7.289 -6.674 -3.012 1.00 0.96 H new ATOM 0 HB3 HIS A 3 -9.032 -6.683 -2.835 1.00 0.96 H new ATOM 0 HD2 HIS A 3 -10.172 -9.256 -2.327 1.00 1.79 H new ATOM 0 HE1 HIS A 3 -6.503 -11.334 -2.098 1.00 2.18 H new ATOM 0 HE2 HIS A 3 -9.026 -11.543 -1.694 1.00 2.23 H new ATOM 46 N SER A 4 -10.482 -6.139 -5.323 1.00 1.03 N ATOM 47 CA SER A 4 -11.369 -5.009 -5.747 1.00 1.15 C ATOM 48 C SER A 4 -11.497 -3.979 -4.619 1.00 1.05 C ATOM 49 O SER A 4 -11.349 -2.791 -4.836 1.00 1.04 O ATOM 50 CB SER A 4 -12.727 -5.654 -6.036 1.00 1.35 C ATOM 51 OG SER A 4 -12.820 -5.956 -7.421 1.00 1.59 O ATOM 0 H SER A 4 -10.970 -7.003 -5.088 1.00 1.03 H new ATOM 0 HA SER A 4 -10.973 -4.482 -6.615 1.00 1.15 H new ATOM 0 HB2 SER A 4 -12.843 -6.563 -5.446 1.00 1.35 H new ATOM 0 HB3 SER A 4 -13.532 -4.979 -5.745 1.00 1.35 H new ATOM 0 HG SER A 4 -13.688 -6.371 -7.608 1.00 1.59 H new ATOM 57 N LEU A 5 -11.778 -4.427 -3.419 1.00 1.07 N ATOM 58 CA LEU A 5 -11.923 -3.477 -2.273 1.00 1.06 C ATOM 59 C LEU A 5 -10.648 -3.451 -1.417 1.00 0.90 C ATOM 60 O LEU A 5 -10.227 -2.406 -0.960 1.00 0.88 O ATOM 61 CB LEU A 5 -13.103 -4.013 -1.449 1.00 1.25 C ATOM 62 CG LEU A 5 -14.417 -3.354 -1.895 1.00 1.42 C ATOM 63 CD1 LEU A 5 -14.325 -1.834 -1.728 1.00 1.45 C ATOM 64 CD2 LEU A 5 -14.689 -3.690 -3.364 1.00 1.49 C ATOM 0 H LEU A 5 -11.913 -5.410 -3.184 1.00 1.07 H new ATOM 0 HA LEU A 5 -12.090 -2.457 -2.619 1.00 1.06 H new ATOM 0 HB2 LEU A 5 -13.174 -5.094 -1.566 1.00 1.25 H new ATOM 0 HB3 LEU A 5 -12.933 -3.818 -0.390 1.00 1.25 H new ATOM 0 HG LEU A 5 -15.231 -3.733 -1.277 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -15.261 -1.376 -2.047 1.00 1.45 H new ATOM 0 HD12 LEU A 5 -14.141 -1.593 -0.681 1.00 1.45 H new ATOM 0 HD13 LEU A 5 -13.507 -1.450 -2.337 1.00 1.45 H new ATOM 0 HD21 LEU A 5 -15.622 -3.221 -3.678 1.00 1.49 H new ATOM 0 HD22 LEU A 5 -13.871 -3.318 -3.980 1.00 1.49 H new ATOM 0 HD23 LEU A 5 -14.769 -4.771 -3.481 1.00 1.49 H new ATOM 76 N ASN A 6 -10.043 -4.594 -1.182 1.00 0.90 N ATOM 77 CA ASN A 6 -8.806 -4.639 -0.333 1.00 0.84 C ATOM 78 C ASN A 6 -7.674 -3.810 -0.954 1.00 0.69 C ATOM 79 O ASN A 6 -7.053 -3.006 -0.284 1.00 0.67 O ATOM 80 CB ASN A 6 -8.414 -6.117 -0.269 1.00 0.95 C ATOM 81 CG ASN A 6 -7.747 -6.410 1.077 1.00 1.20 C ATOM 82 OD1 ASN A 6 -6.541 -6.327 1.202 1.00 1.51 O ATOM 83 ND2 ASN A 6 -8.488 -6.746 2.098 1.00 1.42 N ATOM 0 H ASN A 6 -10.352 -5.497 -1.541 1.00 0.90 H new ATOM 0 HA ASN A 6 -8.987 -4.218 0.656 1.00 0.84 H new ATOM 0 HB2 ASN A 6 -9.297 -6.744 -0.394 1.00 0.95 H new ATOM 0 HB3 ASN A 6 -7.733 -6.359 -1.085 1.00 0.95 H new ATOM 0 HD21 ASN A 6 -8.055 -6.939 3.001 1.00 1.42 H new ATOM 0 HD22 ASN A 6 -9.500 -6.816 1.993 1.00 1.42 H new ATOM 90 N SER A 7 -7.396 -3.999 -2.224 1.00 0.65 N ATOM 91 CA SER A 7 -6.296 -3.221 -2.878 1.00 0.58 C ATOM 92 C SER A 7 -6.667 -1.737 -2.965 1.00 0.53 C ATOM 93 O SER A 7 -5.865 -0.877 -2.663 1.00 0.55 O ATOM 94 CB SER A 7 -6.151 -3.814 -4.276 1.00 0.64 C ATOM 95 OG SER A 7 -4.858 -3.510 -4.782 1.00 0.89 O ATOM 0 H SER A 7 -7.882 -4.657 -2.833 1.00 0.65 H new ATOM 0 HA SER A 7 -5.366 -3.285 -2.312 1.00 0.58 H new ATOM 0 HB2 SER A 7 -6.297 -4.894 -4.243 1.00 0.64 H new ATOM 0 HB3 SER A 7 -6.917 -3.409 -4.937 1.00 0.64 H new ATOM 0 HG SER A 7 -4.943 -3.077 -5.657 1.00 0.89 H new ATOM 101 N LEU A 8 -7.878 -1.436 -3.370 1.00 0.56 N ATOM 102 CA LEU A 8 -8.309 -0.005 -3.469 1.00 0.58 C ATOM 103 C LEU A 8 -8.180 0.685 -2.102 1.00 0.54 C ATOM 104 O LEU A 8 -7.974 1.881 -2.020 1.00 0.59 O ATOM 105 CB LEU A 8 -9.776 -0.054 -3.913 1.00 0.73 C ATOM 106 CG LEU A 8 -10.043 1.048 -4.943 1.00 1.06 C ATOM 107 CD1 LEU A 8 -10.655 0.431 -6.206 1.00 1.35 C ATOM 108 CD2 LEU A 8 -11.014 2.074 -4.348 1.00 1.65 C ATOM 0 H LEU A 8 -8.587 -2.120 -3.636 1.00 0.56 H new ATOM 0 HA LEU A 8 -7.694 0.561 -4.169 1.00 0.58 H new ATOM 0 HB2 LEU A 8 -10.003 -1.029 -4.343 1.00 0.73 H new ATOM 0 HB3 LEU A 8 -10.431 0.074 -3.051 1.00 0.73 H new ATOM 0 HG LEU A 8 -9.106 1.542 -5.201 1.00 1.06 H new ATOM 0 HD11 LEU A 8 -10.845 1.215 -6.939 1.00 1.35 H new ATOM 0 HD12 LEU A 8 -9.963 -0.299 -6.627 1.00 1.35 H new ATOM 0 HD13 LEU A 8 -11.593 -0.063 -5.952 1.00 1.35 H new ATOM 0 HD21 LEU A 8 -11.206 2.860 -5.079 1.00 1.65 H new ATOM 0 HD22 LEU A 8 -11.951 1.581 -4.090 1.00 1.65 H new ATOM 0 HD23 LEU A 8 -10.576 2.512 -3.451 1.00 1.65 H new ATOM 120 N ASN A 9 -8.296 -0.065 -1.028 1.00 0.53 N ATOM 121 CA ASN A 9 -8.178 0.537 0.336 1.00 0.58 C ATOM 122 C ASN A 9 -6.743 1.012 0.596 1.00 0.53 C ATOM 123 O ASN A 9 -6.522 2.150 0.962 1.00 0.58 O ATOM 124 CB ASN A 9 -8.553 -0.589 1.306 1.00 0.66 C ATOM 125 CG ASN A 9 -9.520 -0.049 2.361 1.00 0.83 C ATOM 126 OD1 ASN A 9 -9.103 0.421 3.401 1.00 1.21 O ATOM 127 ND2 ASN A 9 -10.805 -0.095 2.135 1.00 1.27 N ATOM 0 H ASN A 9 -8.468 -1.070 -1.041 1.00 0.53 H new ATOM 0 HA ASN A 9 -8.823 1.408 0.451 1.00 0.58 H new ATOM 0 HB2 ASN A 9 -9.014 -1.414 0.762 1.00 0.66 H new ATOM 0 HB3 ASN A 9 -7.658 -0.984 1.786 1.00 0.66 H new ATOM 0 HD21 ASN A 9 -11.458 0.264 2.831 1.00 1.27 H new ATOM 0 HD22 ASN A 9 -11.155 -0.489 1.262 1.00 1.27 H new ATOM 134 N ASN A 10 -5.769 0.150 0.415 1.00 0.50 N ATOM 135 CA ASN A 10 -4.351 0.564 0.659 1.00 0.52 C ATOM 136 C ASN A 10 -3.832 1.450 -0.485 1.00 0.47 C ATOM 137 O ASN A 10 -2.894 2.199 -0.309 1.00 0.57 O ATOM 138 CB ASN A 10 -3.540 -0.738 0.760 1.00 0.58 C ATOM 139 CG ASN A 10 -3.468 -1.435 -0.603 1.00 0.62 C ATOM 140 OD1 ASN A 10 -4.207 -2.362 -0.858 1.00 0.71 O ATOM 141 ND2 ASN A 10 -2.598 -1.033 -1.493 1.00 0.69 N ATOM 0 H ASN A 10 -5.894 -0.816 0.111 1.00 0.50 H new ATOM 0 HA ASN A 10 -4.262 1.156 1.570 1.00 0.52 H new ATOM 0 HB2 ASN A 10 -2.533 -0.519 1.116 1.00 0.58 H new ATOM 0 HB3 ASN A 10 -3.999 -1.403 1.491 1.00 0.58 H new ATOM 0 HD21 ASN A 10 -2.542 -1.499 -2.399 1.00 0.69 H new ATOM 0 HD22 ASN A 10 -1.975 -0.254 -1.281 1.00 0.69 H new ATOM 148 N PHE A 11 -4.423 1.370 -1.653 1.00 0.40 N ATOM 149 CA PHE A 11 -3.944 2.214 -2.790 1.00 0.38 C ATOM 150 C PHE A 11 -4.418 3.664 -2.629 1.00 0.38 C ATOM 151 O PHE A 11 -3.665 4.588 -2.854 1.00 0.46 O ATOM 152 CB PHE A 11 -4.551 1.590 -4.052 1.00 0.39 C ATOM 153 CG PHE A 11 -3.722 1.979 -5.256 1.00 0.44 C ATOM 154 CD1 PHE A 11 -3.767 3.290 -5.746 1.00 0.55 C ATOM 155 CD2 PHE A 11 -2.903 1.029 -5.877 1.00 0.57 C ATOM 156 CE1 PHE A 11 -2.996 3.649 -6.857 1.00 0.70 C ATOM 157 CE2 PHE A 11 -2.132 1.389 -6.988 1.00 0.71 C ATOM 158 CZ PHE A 11 -2.178 2.699 -7.478 1.00 0.75 C ATOM 0 H PHE A 11 -5.212 0.760 -1.866 1.00 0.40 H new ATOM 0 HA PHE A 11 -2.855 2.242 -2.835 1.00 0.38 H new ATOM 0 HB2 PHE A 11 -4.583 0.505 -3.955 1.00 0.39 H new ATOM 0 HB3 PHE A 11 -5.579 1.929 -4.180 1.00 0.39 H new ATOM 0 HD1 PHE A 11 -4.397 4.024 -5.266 1.00 0.55 H new ATOM 0 HD2 PHE A 11 -2.866 0.018 -5.499 1.00 0.57 H new ATOM 0 HE1 PHE A 11 -3.032 4.660 -7.235 1.00 0.70 H new ATOM 0 HE2 PHE A 11 -1.501 0.655 -7.468 1.00 0.71 H new ATOM 0 HZ PHE A 11 -1.582 2.976 -8.335 1.00 0.75 H new ATOM 168 N ASP A 12 -5.659 3.867 -2.255 1.00 0.37 N ATOM 169 CA ASP A 12 -6.186 5.262 -2.094 1.00 0.40 C ATOM 170 C ASP A 12 -5.555 5.960 -0.880 1.00 0.40 C ATOM 171 O ASP A 12 -5.053 7.065 -0.987 1.00 0.42 O ATOM 172 CB ASP A 12 -7.695 5.101 -1.892 1.00 0.47 C ATOM 173 CG ASP A 12 -8.397 5.059 -3.253 1.00 0.57 C ATOM 174 OD1 ASP A 12 -8.310 4.038 -3.915 1.00 0.76 O ATOM 175 OD2 ASP A 12 -9.009 6.052 -3.612 1.00 0.92 O ATOM 0 H ASP A 12 -6.331 3.127 -2.054 1.00 0.37 H new ATOM 0 HA ASP A 12 -5.948 5.879 -2.960 1.00 0.40 H new ATOM 0 HB2 ASP A 12 -7.902 4.186 -1.337 1.00 0.47 H new ATOM 0 HB3 ASP A 12 -8.082 5.929 -1.298 1.00 0.47 H new ATOM 180 N PHE A 13 -5.583 5.332 0.272 1.00 0.40 N ATOM 181 CA PHE A 13 -4.991 5.969 1.494 1.00 0.42 C ATOM 182 C PHE A 13 -3.484 6.206 1.300 1.00 0.37 C ATOM 183 O PHE A 13 -2.958 7.241 1.677 1.00 0.39 O ATOM 184 CB PHE A 13 -5.302 4.990 2.649 1.00 0.47 C ATOM 185 CG PHE A 13 -4.040 4.463 3.309 1.00 0.45 C ATOM 186 CD1 PHE A 13 -3.294 5.283 4.167 1.00 0.52 C ATOM 187 CD2 PHE A 13 -3.634 3.143 3.080 1.00 0.47 C ATOM 188 CE1 PHE A 13 -2.145 4.783 4.790 1.00 0.55 C ATOM 189 CE2 PHE A 13 -2.490 2.643 3.707 1.00 0.51 C ATOM 190 CZ PHE A 13 -1.744 3.463 4.560 1.00 0.52 C ATOM 0 H PHE A 13 -5.989 4.408 0.420 1.00 0.40 H new ATOM 0 HA PHE A 13 -5.409 6.953 1.705 1.00 0.42 H new ATOM 0 HB2 PHE A 13 -5.917 5.494 3.395 1.00 0.47 H new ATOM 0 HB3 PHE A 13 -5.887 4.153 2.267 1.00 0.47 H new ATOM 0 HD1 PHE A 13 -3.606 6.301 4.347 1.00 0.52 H new ATOM 0 HD2 PHE A 13 -4.206 2.510 2.418 1.00 0.47 H new ATOM 0 HE1 PHE A 13 -1.568 5.416 5.448 1.00 0.55 H new ATOM 0 HE2 PHE A 13 -2.181 1.623 3.533 1.00 0.51 H new ATOM 0 HZ PHE A 13 -0.858 3.077 5.041 1.00 0.52 H new ATOM 200 N LEU A 14 -2.784 5.274 0.703 1.00 0.34 N ATOM 201 CA LEU A 14 -1.324 5.486 0.490 1.00 0.29 C ATOM 202 C LEU A 14 -1.084 6.419 -0.699 1.00 0.28 C ATOM 203 O LEU A 14 -0.066 7.059 -0.770 1.00 0.28 O ATOM 204 CB LEU A 14 -0.720 4.104 0.217 1.00 0.28 C ATOM 205 CG LEU A 14 0.605 3.930 0.984 1.00 0.31 C ATOM 206 CD1 LEU A 14 1.318 5.274 1.169 1.00 0.35 C ATOM 207 CD2 LEU A 14 0.306 3.323 2.355 1.00 0.43 C ATOM 0 H LEU A 14 -3.155 4.388 0.359 1.00 0.34 H new ATOM 0 HA LEU A 14 -0.864 5.952 1.362 1.00 0.29 H new ATOM 0 HB2 LEU A 14 -1.424 3.328 0.516 1.00 0.28 H new ATOM 0 HB3 LEU A 14 -0.546 3.982 -0.852 1.00 0.28 H new ATOM 0 HG LEU A 14 1.258 3.274 0.409 1.00 0.31 H new ATOM 0 HD11 LEU A 14 2.250 5.120 1.713 1.00 0.35 H new ATOM 0 HD12 LEU A 14 1.536 5.708 0.193 1.00 0.35 H new ATOM 0 HD13 LEU A 14 0.677 5.952 1.732 1.00 0.35 H new ATOM 0 HD21 LEU A 14 1.237 3.195 2.907 1.00 0.43 H new ATOM 0 HD22 LEU A 14 -0.357 3.987 2.910 1.00 0.43 H new ATOM 0 HD23 LEU A 14 -0.176 2.354 2.227 1.00 0.43 H new ATOM 219 N ALA A 15 -2.005 6.512 -1.634 1.00 0.30 N ATOM 220 CA ALA A 15 -1.789 7.425 -2.805 1.00 0.32 C ATOM 221 C ALA A 15 -1.366 8.816 -2.311 1.00 0.33 C ATOM 222 O ALA A 15 -0.341 9.345 -2.716 1.00 0.33 O ATOM 223 CB ALA A 15 -3.136 7.502 -3.530 1.00 0.39 C ATOM 0 H ALA A 15 -2.888 6.001 -1.637 1.00 0.30 H new ATOM 0 HA ALA A 15 -1.003 7.060 -3.466 1.00 0.32 H new ATOM 0 HB1 ALA A 15 -3.045 8.156 -4.398 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -3.431 6.505 -3.856 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -3.891 7.901 -2.853 1.00 0.39 H new ATOM 229 N ARG A 16 -2.137 9.403 -1.425 1.00 0.39 N ATOM 230 CA ARG A 16 -1.774 10.753 -0.894 1.00 0.42 C ATOM 231 C ARG A 16 -0.549 10.658 0.031 1.00 0.39 C ATOM 232 O ARG A 16 0.233 11.585 0.119 1.00 0.43 O ATOM 233 CB ARG A 16 -3.018 11.256 -0.138 1.00 0.49 C ATOM 234 CG ARG A 16 -3.231 10.465 1.163 1.00 0.52 C ATOM 235 CD ARG A 16 -4.608 9.788 1.136 1.00 0.59 C ATOM 236 NE ARG A 16 -5.513 10.701 1.898 1.00 0.95 N ATOM 237 CZ ARG A 16 -6.692 10.283 2.286 1.00 1.78 C ATOM 238 NH1 ARG A 16 -6.802 9.509 3.334 1.00 2.46 N ATOM 239 NH2 ARG A 16 -7.764 10.637 1.627 1.00 2.49 N ATOM 0 H ARG A 16 -2.998 9.006 -1.049 1.00 0.39 H new ATOM 0 HA ARG A 16 -1.499 11.443 -1.692 1.00 0.42 H new ATOM 0 HB2 ARG A 16 -2.905 12.316 0.091 1.00 0.49 H new ATOM 0 HB3 ARG A 16 -3.898 11.160 -0.774 1.00 0.49 H new ATOM 0 HG2 ARG A 16 -2.448 9.715 1.276 1.00 0.52 H new ATOM 0 HG3 ARG A 16 -3.160 11.132 2.022 1.00 0.52 H new ATOM 0 HD2 ARG A 16 -4.959 9.651 0.113 1.00 0.59 H new ATOM 0 HD3 ARG A 16 -4.569 8.800 1.595 1.00 0.59 H new ATOM 0 HE ARG A 16 -5.212 11.651 2.116 1.00 0.95 H new ATOM 0 HH11 ARG A 16 -5.969 9.229 3.851 1.00 2.46 H new ATOM 0 HH12 ARG A 16 -7.721 9.185 3.634 1.00 2.46 H new ATOM 0 HH21 ARG A 16 -7.683 11.240 0.808 1.00 2.49 H new ATOM 0 HH22 ARG A 16 -8.681 10.310 1.931 1.00 2.49 H new ATOM 253 N SER A 17 -0.366 9.545 0.709 1.00 0.36 N ATOM 254 CA SER A 17 0.825 9.408 1.609 1.00 0.37 C ATOM 255 C SER A 17 2.080 9.070 0.786 1.00 0.32 C ATOM 256 O SER A 17 3.181 9.390 1.178 1.00 0.40 O ATOM 257 CB SER A 17 0.484 8.271 2.573 1.00 0.40 C ATOM 258 OG SER A 17 0.597 8.742 3.908 1.00 1.04 O ATOM 0 H SER A 17 -0.984 8.734 0.678 1.00 0.36 H new ATOM 0 HA SER A 17 1.039 10.333 2.145 1.00 0.37 H new ATOM 0 HB2 SER A 17 -0.528 7.911 2.386 1.00 0.40 H new ATOM 0 HB3 SER A 17 1.157 7.429 2.414 1.00 0.40 H new ATOM 0 HG SER A 17 0.378 8.017 4.530 1.00 1.04 H new ATOM 264 N PHE A 18 1.920 8.433 -0.355 1.00 0.25 N ATOM 265 CA PHE A 18 3.100 8.083 -1.206 1.00 0.23 C ATOM 266 C PHE A 18 3.842 9.364 -1.596 1.00 0.27 C ATOM 267 O PHE A 18 5.048 9.459 -1.468 1.00 0.32 O ATOM 268 CB PHE A 18 2.524 7.405 -2.457 1.00 0.24 C ATOM 269 CG PHE A 18 2.629 5.904 -2.319 1.00 0.21 C ATOM 270 CD1 PHE A 18 3.884 5.290 -2.237 1.00 0.24 C ATOM 271 CD2 PHE A 18 1.469 5.126 -2.269 1.00 0.24 C ATOM 272 CE1 PHE A 18 3.974 3.897 -2.104 1.00 0.26 C ATOM 273 CE2 PHE A 18 1.560 3.739 -2.136 1.00 0.25 C ATOM 274 CZ PHE A 18 2.809 3.124 -2.053 1.00 0.25 C ATOM 0 H PHE A 18 1.018 8.141 -0.731 1.00 0.25 H new ATOM 0 HA PHE A 18 3.803 7.432 -0.687 1.00 0.23 H new ATOM 0 HB2 PHE A 18 1.482 7.695 -2.592 1.00 0.24 H new ATOM 0 HB3 PHE A 18 3.065 7.737 -3.343 1.00 0.24 H new ATOM 0 HD1 PHE A 18 4.782 5.888 -2.276 1.00 0.24 H new ATOM 0 HD2 PHE A 18 0.500 5.599 -2.333 1.00 0.24 H new ATOM 0 HE1 PHE A 18 4.942 3.421 -2.041 1.00 0.26 H new ATOM 0 HE2 PHE A 18 0.661 3.141 -2.097 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.877 2.051 -1.949 1.00 0.25 H new ATOM 284 N ALA A 19 3.116 10.355 -2.062 1.00 0.31 N ATOM 285 CA ALA A 19 3.761 11.648 -2.452 1.00 0.37 C ATOM 286 C ALA A 19 4.221 12.411 -1.200 1.00 0.39 C ATOM 287 O ALA A 19 5.235 13.082 -1.214 1.00 0.46 O ATOM 288 CB ALA A 19 2.674 12.433 -3.190 1.00 0.43 C ATOM 0 H ALA A 19 2.104 10.322 -2.188 1.00 0.31 H new ATOM 0 HA ALA A 19 4.643 11.495 -3.074 1.00 0.37 H new ATOM 0 HB1 ALA A 19 3.073 13.396 -3.508 1.00 0.43 H new ATOM 0 HB2 ALA A 19 2.348 11.869 -4.064 1.00 0.43 H new ATOM 0 HB3 ALA A 19 1.826 12.594 -2.524 1.00 0.43 H new ATOM 294 N ARG A 20 3.483 12.307 -0.115 1.00 0.39 N ATOM 295 CA ARG A 20 3.876 13.021 1.142 1.00 0.45 C ATOM 296 C ARG A 20 5.121 12.366 1.759 1.00 0.41 C ATOM 297 O ARG A 20 6.046 13.042 2.168 1.00 0.44 O ATOM 298 CB ARG A 20 2.674 12.879 2.082 1.00 0.50 C ATOM 299 CG ARG A 20 2.652 14.054 3.064 1.00 0.73 C ATOM 300 CD ARG A 20 2.398 13.535 4.482 1.00 1.10 C ATOM 301 NE ARG A 20 0.935 13.719 4.708 1.00 1.51 N ATOM 302 CZ ARG A 20 0.158 12.677 4.847 1.00 1.71 C ATOM 303 NH1 ARG A 20 -0.010 12.142 6.030 1.00 2.11 N ATOM 304 NH2 ARG A 20 -0.452 12.171 3.809 1.00 2.14 N ATOM 0 H ARG A 20 2.626 11.758 -0.048 1.00 0.39 H new ATOM 0 HA ARG A 20 4.124 14.066 0.957 1.00 0.45 H new ATOM 0 HB2 ARG A 20 1.749 12.855 1.506 1.00 0.50 H new ATOM 0 HB3 ARG A 20 2.734 11.937 2.627 1.00 0.50 H new ATOM 0 HG2 ARG A 20 3.600 14.590 3.027 1.00 0.73 H new ATOM 0 HG3 ARG A 20 1.874 14.763 2.781 1.00 0.73 H new ATOM 0 HD2 ARG A 20 2.682 12.487 4.575 1.00 1.10 H new ATOM 0 HD3 ARG A 20 2.983 14.090 5.215 1.00 1.10 H new ATOM 0 HE ARG A 20 0.541 14.659 4.754 1.00 1.51 H new ATOM 0 HH11 ARG A 20 0.465 12.538 6.841 1.00 2.11 H new ATOM 0 HH12 ARG A 20 -0.616 11.329 6.141 1.00 2.11 H new ATOM 0 HH21 ARG A 20 -0.323 12.589 2.888 1.00 2.14 H new ATOM 0 HH22 ARG A 20 -1.058 11.358 3.920 1.00 2.14 H new ATOM 318 N MET A 21 5.151 11.054 1.815 1.00 0.39 N ATOM 319 CA MET A 21 6.336 10.340 2.392 1.00 0.38 C ATOM 320 C MET A 21 7.579 10.578 1.520 1.00 0.37 C ATOM 321 O MET A 21 8.697 10.433 1.976 1.00 0.42 O ATOM 322 CB MET A 21 5.954 8.856 2.391 1.00 0.38 C ATOM 323 CG MET A 21 4.887 8.593 3.458 1.00 0.45 C ATOM 324 SD MET A 21 5.421 7.238 4.532 1.00 0.86 S ATOM 325 CE MET A 21 3.797 6.831 5.218 1.00 1.40 C ATOM 0 H MET A 21 4.402 10.445 1.484 1.00 0.39 H new ATOM 0 HA MET A 21 6.579 10.695 3.394 1.00 0.38 H new ATOM 0 HB2 MET A 21 5.578 8.569 1.409 1.00 0.38 H new ATOM 0 HB3 MET A 21 6.835 8.244 2.586 1.00 0.38 H new ATOM 0 HG2 MET A 21 4.719 9.494 4.049 1.00 0.45 H new ATOM 0 HG3 MET A 21 3.938 8.342 2.984 1.00 0.45 H new ATOM 0 HE1 MET A 21 3.896 6.003 5.920 1.00 1.40 H new ATOM 0 HE2 MET A 21 3.393 7.700 5.736 1.00 1.40 H new ATOM 0 HE3 MET A 21 3.123 6.544 4.411 1.00 1.40 H new ATOM 335 N HIS A 22 7.390 10.951 0.272 1.00 0.37 N ATOM 336 CA HIS A 22 8.556 11.212 -0.629 1.00 0.40 C ATOM 337 C HIS A 22 9.423 12.345 -0.063 1.00 0.44 C ATOM 338 O HIS A 22 10.637 12.277 -0.085 1.00 0.53 O ATOM 339 CB HIS A 22 7.940 11.623 -1.970 1.00 0.45 C ATOM 340 CG HIS A 22 8.899 11.305 -3.084 1.00 0.44 C ATOM 341 ND1 HIS A 22 10.009 12.091 -3.352 1.00 0.68 N ATOM 342 CD2 HIS A 22 8.928 10.289 -4.004 1.00 0.45 C ATOM 343 CE1 HIS A 22 10.654 11.539 -4.396 1.00 0.71 C ATOM 344 NE2 HIS A 22 10.036 10.438 -4.832 1.00 0.57 N ATOM 0 H HIS A 22 6.475 11.085 -0.159 1.00 0.37 H new ATOM 0 HA HIS A 22 9.202 10.340 -0.729 1.00 0.40 H new ATOM 0 HB2 HIS A 22 6.998 11.097 -2.126 1.00 0.45 H new ATOM 0 HB3 HIS A 22 7.712 12.689 -1.966 1.00 0.45 H new ATOM 0 HD2 HIS A 22 8.201 9.494 -4.075 1.00 0.45 H new ATOM 0 HE1 HIS A 22 11.560 11.937 -4.828 1.00 0.71 H new ATOM 0 HE2 HIS A 22 10.316 9.836 -5.606 1.00 0.57 H new ATOM 352 N ALA A 23 8.803 13.381 0.452 1.00 0.48 N ATOM 353 CA ALA A 23 9.581 14.519 1.032 1.00 0.59 C ATOM 354 C ALA A 23 9.955 14.226 2.492 1.00 0.60 C ATOM 355 O ALA A 23 10.972 14.684 2.981 1.00 0.76 O ATOM 356 CB ALA A 23 8.640 15.722 0.952 1.00 0.69 C ATOM 0 H ALA A 23 7.789 13.486 0.495 1.00 0.48 H new ATOM 0 HA ALA A 23 10.515 14.692 0.497 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.138 16.601 1.360 1.00 0.69 H new ATOM 0 HB2 ALA A 23 8.373 15.906 -0.089 1.00 0.69 H new ATOM 0 HB3 ALA A 23 7.737 15.517 1.528 1.00 0.69 H new ATOM 362 N GLU A 24 9.140 13.471 3.191 1.00 0.53 N ATOM 363 CA GLU A 24 9.442 13.147 4.623 1.00 0.58 C ATOM 364 C GLU A 24 10.595 12.137 4.725 1.00 0.58 C ATOM 365 O GLU A 24 11.301 12.095 5.715 1.00 0.67 O ATOM 366 CB GLU A 24 8.150 12.538 5.175 1.00 0.57 C ATOM 367 CG GLU A 24 7.113 13.642 5.402 1.00 0.60 C ATOM 368 CD GLU A 24 5.989 13.113 6.297 1.00 1.06 C ATOM 369 OE1 GLU A 24 5.128 12.417 5.784 1.00 1.50 O ATOM 370 OE2 GLU A 24 6.009 13.414 7.479 1.00 1.56 O ATOM 0 H GLU A 24 8.277 13.064 2.831 1.00 0.53 H new ATOM 0 HA GLU A 24 9.752 14.031 5.180 1.00 0.58 H new ATOM 0 HB2 GLU A 24 7.759 11.797 4.478 1.00 0.57 H new ATOM 0 HB3 GLU A 24 8.353 12.019 6.112 1.00 0.57 H new ATOM 0 HG2 GLU A 24 7.584 14.508 5.866 1.00 0.60 H new ATOM 0 HG3 GLU A 24 6.706 13.974 4.447 1.00 0.60 H new ATOM 377 N GLY A 25 10.788 11.319 3.716 1.00 0.52 N ATOM 378 CA GLY A 25 11.890 10.311 3.760 1.00 0.56 C ATOM 379 C GLY A 25 11.439 9.083 4.560 1.00 0.53 C ATOM 380 O GLY A 25 12.220 8.476 5.267 1.00 0.72 O ATOM 0 H GLY A 25 10.228 11.308 2.864 1.00 0.52 H new ATOM 0 HA2 GLY A 25 12.166 10.016 2.748 1.00 0.56 H new ATOM 0 HA3 GLY A 25 12.777 10.749 4.217 1.00 0.56 H new ATOM 384 N ARG A 26 10.186 8.711 4.446 1.00 0.39 N ATOM 385 CA ARG A 26 9.677 7.518 5.194 1.00 0.36 C ATOM 386 C ARG A 26 9.474 6.347 4.223 1.00 0.32 C ATOM 387 O ARG A 26 9.276 6.562 3.043 1.00 0.34 O ATOM 388 CB ARG A 26 8.341 7.961 5.795 1.00 0.40 C ATOM 389 CG ARG A 26 8.597 8.783 7.063 1.00 0.64 C ATOM 390 CD ARG A 26 7.282 9.405 7.550 1.00 0.85 C ATOM 391 NE ARG A 26 7.137 8.956 8.965 1.00 1.50 N ATOM 392 CZ ARG A 26 6.149 8.172 9.307 1.00 1.94 C ATOM 393 NH1 ARG A 26 6.269 6.877 9.177 1.00 2.39 N ATOM 394 NH2 ARG A 26 5.044 8.681 9.784 1.00 2.39 N ATOM 0 H ARG A 26 9.493 9.183 3.866 1.00 0.39 H new ATOM 0 HA ARG A 26 10.370 7.181 5.965 1.00 0.36 H new ATOM 0 HB2 ARG A 26 7.784 8.555 5.071 1.00 0.40 H new ATOM 0 HB3 ARG A 26 7.730 7.090 6.031 1.00 0.40 H new ATOM 0 HG2 ARG A 26 9.020 8.147 7.841 1.00 0.64 H new ATOM 0 HG3 ARG A 26 9.327 9.566 6.859 1.00 0.64 H new ATOM 0 HD2 ARG A 26 7.312 10.493 7.483 1.00 0.85 H new ATOM 0 HD3 ARG A 26 6.440 9.072 6.943 1.00 0.85 H new ATOM 0 HE ARG A 26 7.811 9.262 9.667 1.00 1.50 H new ATOM 0 HH11 ARG A 26 7.133 6.479 8.809 1.00 2.39 H new ATOM 0 HH12 ARG A 26 5.499 6.264 9.444 1.00 2.39 H new ATOM 0 HH21 ARG A 26 4.952 9.691 9.890 1.00 2.39 H new ATOM 0 HH22 ARG A 26 4.274 8.068 10.051 1.00 2.39 H new ATOM 408 N PRO A 27 9.537 5.143 4.747 1.00 0.31 N ATOM 409 CA PRO A 27 9.369 3.933 3.901 1.00 0.29 C ATOM 410 C PRO A 27 7.911 3.765 3.443 1.00 0.28 C ATOM 411 O PRO A 27 6.997 3.698 4.244 1.00 0.37 O ATOM 412 CB PRO A 27 9.796 2.788 4.816 1.00 0.32 C ATOM 413 CG PRO A 27 9.589 3.301 6.204 1.00 0.35 C ATOM 414 CD PRO A 27 9.769 4.798 6.157 1.00 0.38 C ATOM 0 HA PRO A 27 9.955 3.980 2.983 1.00 0.29 H new ATOM 0 HB2 PRO A 27 9.200 1.894 4.633 1.00 0.32 H new ATOM 0 HB3 PRO A 27 10.838 2.516 4.647 1.00 0.32 H new ATOM 0 HG2 PRO A 27 8.593 3.044 6.565 1.00 0.35 H new ATOM 0 HG3 PRO A 27 10.303 2.849 6.892 1.00 0.35 H new ATOM 0 HD2 PRO A 27 9.062 5.305 6.813 1.00 0.38 H new ATOM 0 HD3 PRO A 27 10.769 5.090 6.479 1.00 0.38 H new ATOM 422 N VAL A 28 7.704 3.693 2.151 1.00 0.23 N ATOM 423 CA VAL A 28 6.326 3.521 1.589 1.00 0.23 C ATOM 424 C VAL A 28 6.316 2.277 0.696 1.00 0.24 C ATOM 425 O VAL A 28 7.134 2.151 -0.196 1.00 0.29 O ATOM 426 CB VAL A 28 6.059 4.787 0.756 1.00 0.23 C ATOM 427 CG1 VAL A 28 4.561 5.052 0.695 1.00 0.28 C ATOM 428 CG2 VAL A 28 6.738 6.003 1.396 1.00 0.30 C ATOM 0 H VAL A 28 8.443 3.747 1.450 1.00 0.23 H new ATOM 0 HA VAL A 28 5.566 3.392 2.359 1.00 0.23 H new ATOM 0 HB VAL A 28 6.459 4.629 -0.245 1.00 0.23 H new ATOM 0 HG11 VAL A 28 4.374 5.949 0.105 1.00 0.28 H new ATOM 0 HG12 VAL A 28 4.060 4.202 0.232 1.00 0.28 H new ATOM 0 HG13 VAL A 28 4.175 5.195 1.704 1.00 0.28 H new ATOM 0 HG21 VAL A 28 6.539 6.890 0.794 1.00 0.30 H new ATOM 0 HG22 VAL A 28 6.345 6.152 2.402 1.00 0.30 H new ATOM 0 HG23 VAL A 28 7.814 5.834 1.448 1.00 0.30 H new ATOM 438 N ASP A 29 5.423 1.345 0.934 1.00 0.26 N ATOM 439 CA ASP A 29 5.408 0.105 0.093 1.00 0.28 C ATOM 440 C ASP A 29 4.912 0.412 -1.326 1.00 0.27 C ATOM 441 O ASP A 29 3.737 0.273 -1.641 1.00 0.27 O ATOM 442 CB ASP A 29 4.455 -0.860 0.805 1.00 0.31 C ATOM 443 CG ASP A 29 4.803 -2.299 0.415 1.00 0.37 C ATOM 444 OD1 ASP A 29 4.408 -2.714 -0.663 1.00 0.47 O ATOM 445 OD2 ASP A 29 5.463 -2.962 1.197 1.00 0.49 O ATOM 0 H ASP A 29 4.712 1.387 1.665 1.00 0.26 H new ATOM 0 HA ASP A 29 6.406 -0.319 -0.015 1.00 0.28 H new ATOM 0 HB2 ASP A 29 4.533 -0.735 1.885 1.00 0.31 H new ATOM 0 HB3 ASP A 29 3.423 -0.637 0.532 1.00 0.31 H new ATOM 450 N ILE A 30 5.810 0.799 -2.199 1.00 0.26 N ATOM 451 CA ILE A 30 5.402 1.095 -3.601 1.00 0.26 C ATOM 452 C ILE A 30 4.870 -0.178 -4.257 1.00 0.30 C ATOM 453 O ILE A 30 3.941 -0.129 -5.034 1.00 0.33 O ATOM 454 CB ILE A 30 6.667 1.586 -4.314 1.00 0.29 C ATOM 455 CG1 ILE A 30 7.024 2.987 -3.807 1.00 0.26 C ATOM 456 CG2 ILE A 30 6.415 1.637 -5.826 1.00 0.34 C ATOM 457 CD1 ILE A 30 5.995 4.003 -4.311 1.00 0.28 C ATOM 0 H ILE A 30 6.803 0.921 -1.999 1.00 0.26 H new ATOM 0 HA ILE A 30 4.612 1.844 -3.650 1.00 0.26 H new ATOM 0 HB ILE A 30 7.491 0.903 -4.107 1.00 0.29 H new ATOM 0 HG12 ILE A 30 7.050 2.993 -2.717 1.00 0.26 H new ATOM 0 HG13 ILE A 30 8.020 3.265 -4.151 1.00 0.26 H new ATOM 0 HG21 ILE A 30 7.314 1.986 -6.333 1.00 0.34 H new ATOM 0 HG22 ILE A 30 6.159 0.641 -6.186 1.00 0.34 H new ATOM 0 HG23 ILE A 30 5.592 2.321 -6.035 1.00 0.34 H new ATOM 0 HD11 ILE A 30 6.256 4.996 -3.946 1.00 0.28 H new ATOM 0 HD12 ILE A 30 5.991 4.006 -5.401 1.00 0.28 H new ATOM 0 HD13 ILE A 30 5.005 3.730 -3.945 1.00 0.28 H new ATOM 469 N LEU A 31 5.448 -1.315 -3.935 1.00 0.32 N ATOM 470 CA LEU A 31 4.972 -2.603 -4.527 1.00 0.37 C ATOM 471 C LEU A 31 3.454 -2.716 -4.366 1.00 0.37 C ATOM 472 O LEU A 31 2.759 -3.113 -5.282 1.00 0.40 O ATOM 473 CB LEU A 31 5.705 -3.701 -3.735 1.00 0.41 C ATOM 474 CG LEU A 31 5.068 -5.080 -3.979 1.00 0.47 C ATOM 475 CD1 LEU A 31 3.807 -5.225 -3.117 1.00 0.48 C ATOM 476 CD2 LEU A 31 4.702 -5.237 -5.461 1.00 0.49 C ATOM 0 H LEU A 31 6.230 -1.403 -3.286 1.00 0.32 H new ATOM 0 HA LEU A 31 5.179 -2.681 -5.594 1.00 0.37 H new ATOM 0 HB2 LEU A 31 6.755 -3.725 -4.027 1.00 0.41 H new ATOM 0 HB3 LEU A 31 5.676 -3.467 -2.671 1.00 0.41 H new ATOM 0 HG LEU A 31 5.784 -5.855 -3.707 1.00 0.47 H new ATOM 0 HD11 LEU A 31 3.357 -6.203 -3.291 1.00 0.48 H new ATOM 0 HD12 LEU A 31 4.073 -5.131 -2.064 1.00 0.48 H new ATOM 0 HD13 LEU A 31 3.093 -4.445 -3.382 1.00 0.48 H new ATOM 0 HD21 LEU A 31 4.252 -6.216 -5.623 1.00 0.49 H new ATOM 0 HD22 LEU A 31 3.992 -4.460 -5.745 1.00 0.49 H new ATOM 0 HD23 LEU A 31 5.602 -5.146 -6.070 1.00 0.49 H new ATOM 488 N ALA A 32 2.936 -2.344 -3.221 1.00 0.36 N ATOM 489 CA ALA A 32 1.458 -2.396 -3.010 1.00 0.38 C ATOM 490 C ALA A 32 0.765 -1.670 -4.168 1.00 0.38 C ATOM 491 O ALA A 32 -0.262 -2.096 -4.664 1.00 0.44 O ATOM 492 CB ALA A 32 1.228 -1.656 -1.694 1.00 0.37 C ATOM 0 H ALA A 32 3.475 -2.006 -2.423 1.00 0.36 H new ATOM 0 HA ALA A 32 1.063 -3.411 -2.974 1.00 0.38 H new ATOM 0 HB1 ALA A 32 0.163 -1.647 -1.463 1.00 0.37 H new ATOM 0 HB2 ALA A 32 1.769 -2.161 -0.893 1.00 0.37 H new ATOM 0 HB3 ALA A 32 1.588 -0.631 -1.785 1.00 0.37 H new ATOM 498 N VAL A 33 1.347 -0.580 -4.605 1.00 0.33 N ATOM 499 CA VAL A 33 0.766 0.198 -5.745 1.00 0.34 C ATOM 500 C VAL A 33 1.149 -0.428 -7.106 1.00 0.37 C ATOM 501 O VAL A 33 0.499 -0.185 -8.106 1.00 0.42 O ATOM 502 CB VAL A 33 1.378 1.596 -5.595 1.00 0.31 C ATOM 503 CG1 VAL A 33 1.362 2.339 -6.934 1.00 0.34 C ATOM 504 CG2 VAL A 33 0.562 2.392 -4.576 1.00 0.32 C ATOM 0 H VAL A 33 2.207 -0.192 -4.218 1.00 0.33 H new ATOM 0 HA VAL A 33 -0.324 0.211 -5.723 1.00 0.34 H new ATOM 0 HB VAL A 33 2.410 1.493 -5.260 1.00 0.31 H new ATOM 0 HG11 VAL A 33 1.800 3.329 -6.806 1.00 0.34 H new ATOM 0 HG12 VAL A 33 1.940 1.778 -7.668 1.00 0.34 H new ATOM 0 HG13 VAL A 33 0.334 2.440 -7.282 1.00 0.34 H new ATOM 0 HG21 VAL A 33 0.991 3.388 -4.464 1.00 0.32 H new ATOM 0 HG22 VAL A 33 -0.468 2.478 -4.922 1.00 0.32 H new ATOM 0 HG23 VAL A 33 0.580 1.879 -3.615 1.00 0.32 H new ATOM 514 N THR A 34 2.196 -1.221 -7.156 1.00 0.37 N ATOM 515 CA THR A 34 2.612 -1.840 -8.462 1.00 0.41 C ATOM 516 C THR A 34 1.965 -3.229 -8.646 1.00 0.48 C ATOM 517 O THR A 34 2.502 -4.081 -9.331 1.00 0.54 O ATOM 518 CB THR A 34 4.156 -1.961 -8.412 1.00 0.41 C ATOM 519 OG1 THR A 34 4.526 -3.217 -7.858 1.00 0.47 O ATOM 520 CG2 THR A 34 4.763 -0.847 -7.558 1.00 0.37 C ATOM 0 H THR A 34 2.778 -1.466 -6.355 1.00 0.37 H new ATOM 0 HA THR A 34 2.288 -1.229 -9.305 1.00 0.41 H new ATOM 0 HB THR A 34 4.533 -1.875 -9.431 1.00 0.41 H new ATOM 0 HG1 THR A 34 4.208 -3.938 -8.441 1.00 0.47 H new ATOM 0 HG21 THR A 34 5.848 -0.954 -7.538 1.00 0.37 H new ATOM 0 HG22 THR A 34 4.501 0.122 -7.984 1.00 0.37 H new ATOM 0 HG23 THR A 34 4.373 -0.914 -6.542 1.00 0.37 H new ATOM 528 N GLY A 35 0.818 -3.464 -8.047 1.00 0.49 N ATOM 529 CA GLY A 35 0.149 -4.794 -8.193 1.00 0.58 C ATOM 530 C GLY A 35 -0.470 -4.917 -9.589 1.00 0.68 C ATOM 531 O GLY A 35 0.227 -5.105 -10.570 1.00 0.84 O ATOM 0 H GLY A 35 0.319 -2.791 -7.465 1.00 0.49 H new ATOM 0 HA2 GLY A 35 0.872 -5.594 -8.035 1.00 0.58 H new ATOM 0 HA3 GLY A 35 -0.623 -4.908 -7.432 1.00 0.58 H new ATOM 535 N ASN A 36 -1.773 -4.816 -9.687 1.00 0.65 N ATOM 536 CA ASN A 36 -2.441 -4.929 -11.022 1.00 0.77 C ATOM 537 C ASN A 36 -3.201 -3.637 -11.349 1.00 0.79 C ATOM 538 O ASN A 36 -4.284 -3.660 -11.903 1.00 0.96 O ATOM 539 CB ASN A 36 -3.400 -6.116 -10.884 1.00 0.83 C ATOM 540 CG ASN A 36 -2.750 -7.361 -11.488 1.00 1.11 C ATOM 541 OD1 ASN A 36 -1.828 -7.994 -10.812 1.00 1.57 O flip ATOM 542 ND2 ASN A 36 -3.082 -7.763 -12.586 1.00 1.50 N flip ATOM 0 H ASN A 36 -2.403 -4.660 -8.900 1.00 0.65 H new ATOM 0 HA ASN A 36 -1.729 -5.080 -11.833 1.00 0.77 H new ATOM 0 HB2 ASN A 36 -3.636 -6.288 -9.834 1.00 0.83 H new ATOM 0 HB3 ASN A 36 -4.340 -5.900 -11.391 1.00 0.83 H new ATOM 0 HD21 ASN A 36 -3.802 -7.269 -13.114 1.00 1.50 H new ATOM 0 HD22 ASN A 36 -2.641 -8.594 -12.980 1.00 1.50 H new ATOM 549 N MET A 37 -2.629 -2.509 -11.011 1.00 0.71 N ATOM 550 CA MET A 37 -3.291 -1.199 -11.293 1.00 0.76 C ATOM 551 C MET A 37 -2.235 -0.087 -11.286 1.00 0.72 C ATOM 552 O MET A 37 -2.196 0.749 -10.402 1.00 0.79 O ATOM 553 CB MET A 37 -4.318 -1.006 -10.165 1.00 0.74 C ATOM 554 CG MET A 37 -3.647 -1.176 -8.796 1.00 0.61 C ATOM 555 SD MET A 37 -4.745 -2.103 -7.696 1.00 0.65 S ATOM 556 CE MET A 37 -5.829 -0.727 -7.242 1.00 0.99 C ATOM 0 H MET A 37 -1.723 -2.439 -10.547 1.00 0.71 H new ATOM 0 HA MET A 37 -3.778 -1.172 -12.268 1.00 0.76 H new ATOM 0 HB2 MET A 37 -4.765 -0.015 -10.237 1.00 0.74 H new ATOM 0 HB3 MET A 37 -5.127 -1.729 -10.273 1.00 0.74 H new ATOM 0 HG2 MET A 37 -2.698 -1.701 -8.907 1.00 0.61 H new ATOM 0 HG3 MET A 37 -3.423 -0.200 -8.365 1.00 0.61 H new ATOM 0 HE1 MET A 37 -5.673 -0.471 -6.194 1.00 0.99 H new ATOM 0 HE2 MET A 37 -5.600 0.138 -7.865 1.00 0.99 H new ATOM 0 HE3 MET A 37 -6.869 -1.018 -7.393 1.00 0.99 H new ATOM 566 N ASP A 38 -1.363 -0.088 -12.264 1.00 0.68 N ATOM 567 CA ASP A 38 -0.289 0.949 -12.314 1.00 0.66 C ATOM 568 C ASP A 38 0.031 1.333 -13.767 1.00 0.66 C ATOM 569 O ASP A 38 1.066 0.982 -14.301 1.00 0.73 O ATOM 570 CB ASP A 38 0.938 0.310 -11.631 1.00 0.69 C ATOM 571 CG ASP A 38 0.995 -1.201 -11.907 1.00 0.72 C ATOM 572 OD1 ASP A 38 1.518 -1.575 -12.944 1.00 0.91 O ATOM 573 OD2 ASP A 38 0.520 -1.955 -11.072 1.00 0.75 O ATOM 0 H ASP A 38 -1.349 -0.762 -13.029 1.00 0.68 H new ATOM 0 HA ASP A 38 -0.593 1.867 -11.812 1.00 0.66 H new ATOM 0 HB2 ASP A 38 1.850 0.785 -11.994 1.00 0.69 H new ATOM 0 HB3 ASP A 38 0.894 0.486 -10.556 1.00 0.69 H new ATOM 578 N GLU A 39 -0.847 2.069 -14.403 1.00 0.70 N ATOM 579 CA GLU A 39 -0.590 2.496 -15.816 1.00 0.75 C ATOM 580 C GLU A 39 0.380 3.680 -15.823 1.00 0.65 C ATOM 581 O GLU A 39 1.373 3.677 -16.527 1.00 0.65 O ATOM 582 CB GLU A 39 -1.951 2.921 -16.373 1.00 0.91 C ATOM 583 CG GLU A 39 -2.906 1.720 -16.393 1.00 1.06 C ATOM 584 CD GLU A 39 -3.141 1.270 -17.838 1.00 2.00 C ATOM 585 OE1 GLU A 39 -2.346 0.487 -18.331 1.00 2.78 O ATOM 586 OE2 GLU A 39 -4.115 1.713 -18.424 1.00 2.61 O ATOM 0 H GLU A 39 -1.729 2.393 -14.007 1.00 0.70 H new ATOM 0 HA GLU A 39 -0.146 1.700 -16.413 1.00 0.75 H new ATOM 0 HB2 GLU A 39 -2.370 3.720 -15.761 1.00 0.91 H new ATOM 0 HB3 GLU A 39 -1.833 3.319 -17.381 1.00 0.91 H new ATOM 0 HG2 GLU A 39 -2.486 0.900 -15.810 1.00 1.06 H new ATOM 0 HG3 GLU A 39 -3.854 1.989 -15.927 1.00 1.06 H new ATOM 593 N GLU A 40 0.102 4.687 -15.028 1.00 0.63 N ATOM 594 CA GLU A 40 1.008 5.874 -14.962 1.00 0.58 C ATOM 595 C GLU A 40 2.202 5.583 -14.032 1.00 0.50 C ATOM 596 O GLU A 40 3.146 6.348 -13.967 1.00 0.48 O ATOM 597 CB GLU A 40 0.145 7.008 -14.394 1.00 0.68 C ATOM 598 CG GLU A 40 0.693 8.363 -14.860 1.00 0.75 C ATOM 599 CD GLU A 40 1.324 9.100 -13.675 1.00 1.05 C ATOM 600 OE1 GLU A 40 0.580 9.646 -12.878 1.00 1.30 O ATOM 601 OE2 GLU A 40 2.541 9.107 -13.586 1.00 1.53 O ATOM 0 H GLU A 40 -0.716 4.736 -14.421 1.00 0.63 H new ATOM 0 HA GLU A 40 1.421 6.130 -15.938 1.00 0.58 H new ATOM 0 HB2 GLU A 40 -0.888 6.891 -14.723 1.00 0.68 H new ATOM 0 HB3 GLU A 40 0.140 6.963 -13.305 1.00 0.68 H new ATOM 0 HG2 GLU A 40 1.434 8.216 -15.645 1.00 0.75 H new ATOM 0 HG3 GLU A 40 -0.110 8.963 -15.288 1.00 0.75 H new ATOM 608 N HIS A 41 2.158 4.481 -13.312 1.00 0.50 N ATOM 609 CA HIS A 41 3.274 4.123 -12.379 1.00 0.47 C ATOM 610 C HIS A 41 4.619 4.001 -13.120 1.00 0.45 C ATOM 611 O HIS A 41 5.664 4.048 -12.504 1.00 0.46 O ATOM 612 CB HIS A 41 2.865 2.770 -11.795 1.00 0.52 C ATOM 613 CG HIS A 41 3.657 2.487 -10.548 1.00 0.46 C ATOM 614 ND1 HIS A 41 3.353 3.073 -9.330 1.00 0.48 N ATOM 615 CD2 HIS A 41 4.741 1.679 -10.317 1.00 0.49 C ATOM 616 CE1 HIS A 41 4.239 2.612 -8.428 1.00 0.47 C ATOM 617 NE2 HIS A 41 5.106 1.761 -8.977 1.00 0.47 N ATOM 0 H HIS A 41 1.389 3.811 -13.334 1.00 0.50 H new ATOM 0 HA HIS A 41 3.421 4.888 -11.617 1.00 0.47 H new ATOM 0 HB2 HIS A 41 1.799 2.771 -11.566 1.00 0.52 H new ATOM 0 HB3 HIS A 41 3.033 1.982 -12.529 1.00 0.52 H new ATOM 0 HD2 HIS A 41 5.235 1.072 -11.061 1.00 0.49 H new ATOM 0 HE1 HIS A 41 4.247 2.897 -7.386 1.00 0.47 H new ATOM 0 HE2 HIS A 41 5.873 1.274 -8.514 1.00 0.47 H new ATOM 625 N ARG A 42 4.605 3.838 -14.425 1.00 0.46 N ATOM 626 CA ARG A 42 5.892 3.713 -15.186 1.00 0.48 C ATOM 627 C ARG A 42 6.817 4.901 -14.872 1.00 0.41 C ATOM 628 O ARG A 42 7.876 4.732 -14.296 1.00 0.39 O ATOM 629 CB ARG A 42 5.493 3.714 -16.666 1.00 0.57 C ATOM 630 CG ARG A 42 5.633 2.300 -17.238 1.00 0.72 C ATOM 631 CD ARG A 42 4.263 1.794 -17.704 1.00 1.13 C ATOM 632 NE ARG A 42 4.216 0.363 -17.289 1.00 1.40 N ATOM 633 CZ ARG A 42 3.265 -0.060 -16.497 1.00 1.70 C ATOM 634 NH1 ARG A 42 2.104 -0.395 -16.994 1.00 2.04 N ATOM 635 NH2 ARG A 42 3.478 -0.148 -15.211 1.00 2.03 N ATOM 0 H ARG A 42 3.760 3.786 -14.994 1.00 0.46 H new ATOM 0 HA ARG A 42 6.438 2.808 -14.918 1.00 0.48 H new ATOM 0 HB2 ARG A 42 4.466 4.061 -16.776 1.00 0.57 H new ATOM 0 HB3 ARG A 42 6.125 4.406 -17.223 1.00 0.57 H new ATOM 0 HG2 ARG A 42 6.334 2.303 -18.073 1.00 0.72 H new ATOM 0 HG3 ARG A 42 6.041 1.630 -16.481 1.00 0.72 H new ATOM 0 HD2 ARG A 42 3.455 2.364 -17.245 1.00 1.13 H new ATOM 0 HD3 ARG A 42 4.152 1.895 -18.784 1.00 1.13 H new ATOM 0 HE ARG A 42 4.927 -0.288 -17.623 1.00 1.40 H new ATOM 0 HH11 ARG A 42 1.940 -0.326 -17.998 1.00 2.04 H new ATOM 0 HH12 ARG A 42 1.361 -0.725 -16.378 1.00 2.04 H new ATOM 0 HH21 ARG A 42 4.385 0.113 -14.825 1.00 2.03 H new ATOM 0 HH22 ARG A 42 2.737 -0.478 -14.593 1.00 2.03 H new ATOM 649 N THR A 43 6.420 6.099 -15.233 1.00 0.41 N ATOM 650 CA THR A 43 7.273 7.297 -14.940 1.00 0.40 C ATOM 651 C THR A 43 7.232 7.621 -13.437 1.00 0.34 C ATOM 652 O THR A 43 8.202 8.098 -12.869 1.00 0.34 O ATOM 653 CB THR A 43 6.678 8.444 -15.774 1.00 0.48 C ATOM 654 OG1 THR A 43 7.538 9.573 -15.700 1.00 0.53 O ATOM 655 CG2 THR A 43 5.290 8.826 -15.247 1.00 0.52 C ATOM 0 H THR A 43 5.545 6.299 -15.717 1.00 0.41 H new ATOM 0 HA THR A 43 8.319 7.129 -15.195 1.00 0.40 H new ATOM 0 HB THR A 43 6.582 8.115 -16.809 1.00 0.48 H new ATOM 0 HG1 THR A 43 7.163 10.306 -16.232 1.00 0.53 H new ATOM 0 HG21 THR A 43 4.884 9.639 -15.848 1.00 0.52 H new ATOM 0 HG22 THR A 43 4.627 7.963 -15.308 1.00 0.52 H new ATOM 0 HG23 THR A 43 5.371 9.148 -14.209 1.00 0.52 H new ATOM 663 N TRP A 44 6.121 7.352 -12.789 1.00 0.34 N ATOM 664 CA TRP A 44 6.018 7.628 -11.325 1.00 0.34 C ATOM 665 C TRP A 44 7.069 6.805 -10.570 1.00 0.29 C ATOM 666 O TRP A 44 7.811 7.335 -9.769 1.00 0.31 O ATOM 667 CB TRP A 44 4.589 7.210 -10.931 1.00 0.38 C ATOM 668 CG TRP A 44 4.521 6.895 -9.465 1.00 0.37 C ATOM 669 CD1 TRP A 44 4.840 5.701 -8.915 1.00 0.40 C ATOM 670 CD2 TRP A 44 4.117 7.756 -8.360 1.00 0.39 C ATOM 671 NE1 TRP A 44 4.664 5.774 -7.546 1.00 0.41 N ATOM 672 CE2 TRP A 44 4.218 7.020 -7.155 1.00 0.41 C ATOM 673 CE3 TRP A 44 3.679 9.091 -8.284 1.00 0.44 C ATOM 674 CZ2 TRP A 44 3.896 7.585 -5.921 1.00 0.45 C ATOM 675 CZ3 TRP A 44 3.353 9.662 -7.041 1.00 0.49 C ATOM 676 CH2 TRP A 44 3.463 8.911 -5.863 1.00 0.49 C ATOM 0 H TRP A 44 5.284 6.954 -13.214 1.00 0.34 H new ATOM 0 HA TRP A 44 6.201 8.674 -11.080 1.00 0.34 H new ATOM 0 HB2 TRP A 44 3.890 8.011 -11.170 1.00 0.38 H new ATOM 0 HB3 TRP A 44 4.285 6.339 -11.511 1.00 0.38 H new ATOM 0 HD1 TRP A 44 5.178 4.831 -9.458 1.00 0.40 H new ATOM 0 HE1 TRP A 44 4.842 5.002 -6.904 1.00 0.41 H new ATOM 0 HE3 TRP A 44 3.593 9.680 -9.185 1.00 0.44 H new ATOM 0 HZ2 TRP A 44 3.981 7.001 -5.017 1.00 0.45 H new ATOM 0 HZ3 TRP A 44 3.015 10.687 -6.994 1.00 0.49 H new ATOM 0 HH2 TRP A 44 3.213 9.357 -4.912 1.00 0.49 H new ATOM 687 N PHE A 45 7.138 5.513 -10.814 1.00 0.30 N ATOM 688 CA PHE A 45 8.144 4.680 -10.093 1.00 0.28 C ATOM 689 C PHE A 45 9.567 5.058 -10.503 1.00 0.27 C ATOM 690 O PHE A 45 10.482 4.829 -9.764 1.00 0.30 O ATOM 691 CB PHE A 45 7.861 3.214 -10.444 1.00 0.32 C ATOM 692 CG PHE A 45 8.272 2.317 -9.282 1.00 0.30 C ATOM 693 CD1 PHE A 45 8.959 2.844 -8.171 1.00 0.28 C ATOM 694 CD2 PHE A 45 7.950 0.953 -9.308 1.00 0.36 C ATOM 695 CE1 PHE A 45 9.319 2.013 -7.106 1.00 0.29 C ATOM 696 CE2 PHE A 45 8.308 0.125 -8.236 1.00 0.36 C ATOM 697 CZ PHE A 45 8.991 0.655 -7.136 1.00 0.33 C ATOM 0 H PHE A 45 6.546 5.010 -11.475 1.00 0.30 H new ATOM 0 HA PHE A 45 8.065 4.845 -9.018 1.00 0.28 H new ATOM 0 HB2 PHE A 45 6.801 3.080 -10.661 1.00 0.32 H new ATOM 0 HB3 PHE A 45 8.409 2.933 -11.344 1.00 0.32 H new ATOM 0 HD1 PHE A 45 9.209 3.894 -8.142 1.00 0.28 H new ATOM 0 HD2 PHE A 45 7.425 0.539 -10.156 1.00 0.36 H new ATOM 0 HE1 PHE A 45 9.851 2.421 -6.259 1.00 0.29 H new ATOM 0 HE2 PHE A 45 8.056 -0.925 -8.259 1.00 0.36 H new ATOM 0 HZ PHE A 45 9.265 0.015 -6.310 1.00 0.33 H new ATOM 707 N CYS A 46 9.776 5.643 -11.657 1.00 0.29 N ATOM 708 CA CYS A 46 11.175 6.027 -12.029 1.00 0.32 C ATOM 709 C CYS A 46 11.749 6.918 -10.914 1.00 0.30 C ATOM 710 O CYS A 46 12.762 6.604 -10.300 1.00 0.34 O ATOM 711 CB CYS A 46 11.060 6.797 -13.349 1.00 0.37 C ATOM 712 SG CYS A 46 11.802 5.822 -14.682 1.00 0.94 S ATOM 0 H CYS A 46 9.057 5.868 -12.345 1.00 0.29 H new ATOM 0 HA CYS A 46 11.837 5.169 -12.145 1.00 0.32 H new ATOM 0 HB2 CYS A 46 10.013 7.002 -13.573 1.00 0.37 H new ATOM 0 HB3 CYS A 46 11.563 7.761 -13.265 1.00 0.37 H new ATOM 0 HG CYS A 46 11.703 6.473 -15.803 1.00 0.94 H new ATOM 718 N ALA A 47 11.075 8.007 -10.625 1.00 0.31 N ATOM 719 CA ALA A 47 11.538 8.917 -9.530 1.00 0.34 C ATOM 720 C ALA A 47 11.234 8.301 -8.153 1.00 0.31 C ATOM 721 O ALA A 47 11.891 8.608 -7.176 1.00 0.34 O ATOM 722 CB ALA A 47 10.744 10.211 -9.723 1.00 0.40 C ATOM 0 H ALA A 47 10.223 8.304 -11.101 1.00 0.31 H new ATOM 0 HA ALA A 47 12.614 9.088 -9.569 1.00 0.34 H new ATOM 0 HB1 ALA A 47 11.029 10.930 -8.955 1.00 0.40 H new ATOM 0 HB2 ALA A 47 10.959 10.627 -10.707 1.00 0.40 H new ATOM 0 HB3 ALA A 47 9.678 9.999 -9.644 1.00 0.40 H new ATOM 728 N ARG A 48 10.253 7.428 -8.070 1.00 0.28 N ATOM 729 CA ARG A 48 9.918 6.789 -6.757 1.00 0.28 C ATOM 730 C ARG A 48 10.746 5.506 -6.555 1.00 0.26 C ATOM 731 O ARG A 48 10.756 4.930 -5.484 1.00 0.28 O ATOM 732 CB ARG A 48 8.422 6.464 -6.832 1.00 0.29 C ATOM 733 CG ARG A 48 7.613 7.627 -6.246 1.00 0.36 C ATOM 734 CD ARG A 48 7.369 8.686 -7.326 1.00 0.42 C ATOM 735 NE ARG A 48 6.887 9.891 -6.593 1.00 0.52 N ATOM 736 CZ ARG A 48 7.090 11.084 -7.091 1.00 0.66 C ATOM 737 NH1 ARG A 48 8.265 11.646 -6.982 1.00 1.10 N ATOM 738 NH2 ARG A 48 6.118 11.711 -7.703 1.00 0.95 N ATOM 0 H ARG A 48 9.672 7.132 -8.855 1.00 0.28 H new ATOM 0 HA ARG A 48 10.146 7.444 -5.916 1.00 0.28 H new ATOM 0 HB2 ARG A 48 8.129 6.289 -7.867 1.00 0.29 H new ATOM 0 HB3 ARG A 48 8.211 5.547 -6.282 1.00 0.29 H new ATOM 0 HG2 ARG A 48 6.661 7.262 -5.860 1.00 0.36 H new ATOM 0 HG3 ARG A 48 8.149 8.068 -5.406 1.00 0.36 H new ATOM 0 HD2 ARG A 48 8.283 8.902 -7.879 1.00 0.42 H new ATOM 0 HD3 ARG A 48 6.630 8.345 -8.051 1.00 0.42 H new ATOM 0 HE ARG A 48 6.399 9.786 -5.703 1.00 0.52 H new ATOM 0 HH11 ARG A 48 9.023 11.155 -6.509 1.00 1.10 H new ATOM 0 HH12 ARG A 48 8.424 12.576 -7.370 1.00 1.10 H new ATOM 0 HH21 ARG A 48 5.203 11.270 -7.792 1.00 0.95 H new ATOM 0 HH22 ARG A 48 6.276 12.641 -8.091 1.00 0.95 H new ATOM 752 N TYR A 49 11.450 5.069 -7.573 1.00 0.26 N ATOM 753 CA TYR A 49 12.297 3.845 -7.454 1.00 0.28 C ATOM 754 C TYR A 49 13.514 4.205 -6.631 1.00 0.29 C ATOM 755 O TYR A 49 13.786 3.627 -5.597 1.00 0.33 O ATOM 756 CB TYR A 49 12.744 3.516 -8.882 1.00 0.31 C ATOM 757 CG TYR A 49 12.060 2.266 -9.388 1.00 0.33 C ATOM 758 CD1 TYR A 49 12.082 1.093 -8.623 1.00 0.36 C ATOM 759 CD2 TYR A 49 11.414 2.276 -10.632 1.00 0.37 C ATOM 760 CE1 TYR A 49 11.462 -0.066 -9.101 1.00 0.41 C ATOM 761 CE2 TYR A 49 10.792 1.118 -11.108 1.00 0.41 C ATOM 762 CZ TYR A 49 10.816 -0.054 -10.342 1.00 0.42 C ATOM 763 OH TYR A 49 10.202 -1.198 -10.813 1.00 0.49 O ATOM 0 H TYR A 49 11.472 5.515 -8.490 1.00 0.26 H new ATOM 0 HA TYR A 49 11.773 3.009 -6.990 1.00 0.28 H new ATOM 0 HB2 TYR A 49 12.514 4.353 -9.541 1.00 0.31 H new ATOM 0 HB3 TYR A 49 13.825 3.379 -8.906 1.00 0.31 H new ATOM 0 HD1 TYR A 49 12.578 1.083 -7.664 1.00 0.36 H new ATOM 0 HD2 TYR A 49 11.397 3.179 -11.223 1.00 0.37 H new ATOM 0 HE1 TYR A 49 11.482 -0.971 -8.512 1.00 0.41 H new ATOM 0 HE2 TYR A 49 10.293 1.127 -12.066 1.00 0.41 H new ATOM 0 HH TYR A 49 9.800 -1.017 -11.688 1.00 0.49 H new ATOM 773 N ALA A 50 14.234 5.189 -7.097 1.00 0.30 N ATOM 774 CA ALA A 50 15.439 5.661 -6.371 1.00 0.34 C ATOM 775 C ALA A 50 15.032 6.183 -4.998 1.00 0.32 C ATOM 776 O ALA A 50 15.677 5.917 -4.003 1.00 0.35 O ATOM 777 CB ALA A 50 15.961 6.794 -7.226 1.00 0.37 C ATOM 0 H ALA A 50 14.032 5.690 -7.962 1.00 0.30 H new ATOM 0 HA ALA A 50 16.182 4.878 -6.215 1.00 0.34 H new ATOM 0 HB1 ALA A 50 16.858 7.211 -6.769 1.00 0.37 H new ATOM 0 HB2 ALA A 50 16.202 6.418 -8.220 1.00 0.37 H new ATOM 0 HB3 ALA A 50 15.200 7.570 -7.306 1.00 0.37 H new ATOM 783 N TRP A 51 13.943 6.911 -4.943 1.00 0.30 N ATOM 784 CA TRP A 51 13.461 7.435 -3.639 1.00 0.30 C ATOM 785 C TRP A 51 13.208 6.251 -2.706 1.00 0.28 C ATOM 786 O TRP A 51 13.748 6.191 -1.625 1.00 0.32 O ATOM 787 CB TRP A 51 12.167 8.185 -3.968 1.00 0.31 C ATOM 788 CG TRP A 51 11.260 8.208 -2.770 1.00 0.30 C ATOM 789 CD1 TRP A 51 11.529 8.812 -1.588 1.00 0.33 C ATOM 790 CD2 TRP A 51 9.946 7.598 -2.624 1.00 0.28 C ATOM 791 NE1 TRP A 51 10.461 8.608 -0.728 1.00 0.32 N ATOM 792 CE2 TRP A 51 9.457 7.868 -1.325 1.00 0.28 C ATOM 793 CE3 TRP A 51 9.139 6.847 -3.492 1.00 0.30 C ATOM 794 CZ2 TRP A 51 8.206 7.404 -0.906 1.00 0.28 C ATOM 795 CZ3 TRP A 51 7.886 6.381 -3.075 1.00 0.32 C ATOM 796 CH2 TRP A 51 7.419 6.660 -1.786 1.00 0.30 C ATOM 0 H TRP A 51 13.371 7.162 -5.749 1.00 0.30 H new ATOM 0 HA TRP A 51 14.171 8.095 -3.140 1.00 0.30 H new ATOM 0 HB2 TRP A 51 12.398 9.204 -4.278 1.00 0.31 H new ATOM 0 HB3 TRP A 51 11.662 7.704 -4.806 1.00 0.31 H new ATOM 0 HD1 TRP A 51 12.428 9.362 -1.354 1.00 0.33 H new ATOM 0 HE1 TRP A 51 10.421 8.961 0.228 1.00 0.32 H new ATOM 0 HE3 TRP A 51 9.487 6.626 -4.490 1.00 0.30 H new ATOM 0 HZ2 TRP A 51 7.852 7.620 0.091 1.00 0.28 H new ATOM 0 HZ3 TRP A 51 7.276 5.802 -3.753 1.00 0.32 H new ATOM 0 HH2 TRP A 51 6.450 6.300 -1.472 1.00 0.30 H new ATOM 807 N TYR A 52 12.415 5.294 -3.135 1.00 0.24 N ATOM 808 CA TYR A 52 12.159 4.100 -2.275 1.00 0.24 C ATOM 809 C TYR A 52 13.489 3.415 -1.937 1.00 0.26 C ATOM 810 O TYR A 52 13.674 2.901 -0.853 1.00 0.29 O ATOM 811 CB TYR A 52 11.279 3.159 -3.103 1.00 0.26 C ATOM 812 CG TYR A 52 11.041 1.900 -2.304 1.00 0.27 C ATOM 813 CD1 TYR A 52 9.970 1.836 -1.407 1.00 0.33 C ATOM 814 CD2 TYR A 52 11.908 0.809 -2.440 1.00 0.36 C ATOM 815 CE1 TYR A 52 9.762 0.680 -0.647 1.00 0.36 C ATOM 816 CE2 TYR A 52 11.699 -0.348 -1.682 1.00 0.39 C ATOM 817 CZ TYR A 52 10.624 -0.413 -0.784 1.00 0.34 C ATOM 818 OH TYR A 52 10.415 -1.554 -0.031 1.00 0.39 O ATOM 0 H TYR A 52 11.939 5.291 -4.037 1.00 0.24 H new ATOM 0 HA TYR A 52 11.674 4.374 -1.338 1.00 0.24 H new ATOM 0 HB2 TYR A 52 10.331 3.640 -3.343 1.00 0.26 H new ATOM 0 HB3 TYR A 52 11.764 2.921 -4.049 1.00 0.26 H new ATOM 0 HD1 TYR A 52 9.303 2.679 -1.301 1.00 0.33 H new ATOM 0 HD2 TYR A 52 12.738 0.861 -3.130 1.00 0.36 H new ATOM 0 HE1 TYR A 52 8.935 0.631 0.046 1.00 0.36 H new ATOM 0 HE2 TYR A 52 12.366 -1.191 -1.788 1.00 0.39 H new ATOM 0 HH TYR A 52 11.064 -1.585 0.703 1.00 0.39 H new ATOM 828 N CYS A 53 14.412 3.410 -2.865 1.00 0.29 N ATOM 829 CA CYS A 53 15.736 2.765 -2.622 1.00 0.34 C ATOM 830 C CYS A 53 16.461 3.439 -1.447 1.00 0.36 C ATOM 831 O CYS A 53 16.987 2.770 -0.578 1.00 0.41 O ATOM 832 CB CYS A 53 16.506 2.965 -3.929 1.00 0.38 C ATOM 833 SG CYS A 53 18.069 2.055 -3.859 1.00 0.49 S ATOM 0 H CYS A 53 14.303 3.829 -3.788 1.00 0.29 H new ATOM 0 HA CYS A 53 15.643 1.712 -2.357 1.00 0.34 H new ATOM 0 HB2 CYS A 53 15.909 2.617 -4.772 1.00 0.38 H new ATOM 0 HB3 CYS A 53 16.698 4.026 -4.091 1.00 0.38 H new ATOM 0 HG CYS A 53 18.720 2.225 -4.971 1.00 0.49 H new ATOM 839 N GLN A 54 16.501 4.752 -1.417 1.00 0.36 N ATOM 840 CA GLN A 54 17.209 5.451 -0.292 1.00 0.40 C ATOM 841 C GLN A 54 16.335 5.534 0.979 1.00 0.38 C ATOM 842 O GLN A 54 16.854 5.536 2.080 1.00 0.42 O ATOM 843 CB GLN A 54 17.556 6.850 -0.829 1.00 0.45 C ATOM 844 CG GLN A 54 16.281 7.668 -1.066 1.00 0.45 C ATOM 845 CD GLN A 54 16.266 8.888 -0.140 1.00 0.51 C ATOM 846 OE1 GLN A 54 16.579 8.748 1.121 1.00 0.61 O flip ATOM 847 NE2 GLN A 54 15.965 9.984 -0.570 1.00 0.56 N flip ATOM 0 H GLN A 54 16.079 5.365 -2.115 1.00 0.36 H new ATOM 0 HA GLN A 54 18.102 4.904 0.011 1.00 0.40 H new ATOM 0 HB2 GLN A 54 18.201 7.368 -0.119 1.00 0.45 H new ATOM 0 HB3 GLN A 54 18.115 6.760 -1.760 1.00 0.45 H new ATOM 0 HG2 GLN A 54 16.233 7.989 -2.106 1.00 0.45 H new ATOM 0 HG3 GLN A 54 15.402 7.050 -0.882 1.00 0.45 H new ATOM 0 HE21 GLN A 54 15.720 10.096 -1.554 1.00 0.56 H new ATOM 0 HE22 GLN A 54 15.957 10.792 0.053 1.00 0.56 H new ATOM 856 N GLN A 55 15.027 5.608 0.852 1.00 0.34 N ATOM 857 CA GLN A 55 14.160 5.700 2.083 1.00 0.35 C ATOM 858 C GLN A 55 13.992 4.328 2.757 1.00 0.32 C ATOM 859 O GLN A 55 13.797 4.254 3.955 1.00 0.38 O ATOM 860 CB GLN A 55 12.794 6.254 1.632 1.00 0.35 C ATOM 861 CG GLN A 55 12.246 5.459 0.444 1.00 0.29 C ATOM 862 CD GLN A 55 10.992 4.683 0.849 1.00 0.29 C ATOM 863 OE1 GLN A 55 9.921 5.244 0.938 1.00 0.35 O ATOM 864 NE2 GLN A 55 11.075 3.400 1.071 1.00 0.33 N ATOM 0 H GLN A 55 14.525 5.609 -0.036 1.00 0.34 H new ATOM 0 HA GLN A 55 14.623 6.354 2.822 1.00 0.35 H new ATOM 0 HB2 GLN A 55 12.088 6.210 2.461 1.00 0.35 H new ATOM 0 HB3 GLN A 55 12.896 7.304 1.356 1.00 0.35 H new ATOM 0 HG2 GLN A 55 12.012 6.137 -0.377 1.00 0.29 H new ATOM 0 HG3 GLN A 55 13.006 4.768 0.080 1.00 0.29 H new ATOM 0 HE21 GLN A 55 11.975 2.927 0.996 1.00 0.33 H new ATOM 0 HE22 GLN A 55 10.239 2.870 1.319 1.00 0.33 H new ATOM 873 N MET A 56 14.068 3.246 2.016 1.00 0.29 N ATOM 874 CA MET A 56 13.913 1.899 2.656 1.00 0.29 C ATOM 875 C MET A 56 15.258 1.408 3.203 1.00 0.33 C ATOM 876 O MET A 56 15.313 0.789 4.247 1.00 0.38 O ATOM 877 CB MET A 56 13.411 0.958 1.569 1.00 0.29 C ATOM 878 CG MET A 56 12.066 0.369 2.002 1.00 0.34 C ATOM 879 SD MET A 56 12.296 -1.361 2.487 1.00 0.49 S ATOM 880 CE MET A 56 12.339 -1.092 4.276 1.00 0.64 C ATOM 0 H MET A 56 14.229 3.236 1.009 1.00 0.29 H new ATOM 0 HA MET A 56 13.217 1.942 3.494 1.00 0.29 H new ATOM 0 HB2 MET A 56 13.301 1.495 0.627 1.00 0.29 H new ATOM 0 HB3 MET A 56 14.134 0.160 1.398 1.00 0.29 H new ATOM 0 HG2 MET A 56 11.657 0.941 2.835 1.00 0.34 H new ATOM 0 HG3 MET A 56 11.347 0.437 1.186 1.00 0.34 H new ATOM 0 HE1 MET A 56 11.884 -1.943 4.783 1.00 0.64 H new ATOM 0 HE2 MET A 56 13.373 -0.985 4.603 1.00 0.64 H new ATOM 0 HE3 MET A 56 11.785 -0.186 4.521 1.00 0.64 H new ATOM 890 N MET A 57 16.344 1.682 2.514 1.00 0.36 N ATOM 891 CA MET A 57 17.681 1.230 3.018 1.00 0.42 C ATOM 892 C MET A 57 18.001 1.929 4.348 1.00 0.43 C ATOM 893 O MET A 57 18.652 1.366 5.209 1.00 0.49 O ATOM 894 CB MET A 57 18.697 1.603 1.924 1.00 0.47 C ATOM 895 CG MET A 57 18.873 3.124 1.843 1.00 0.49 C ATOM 896 SD MET A 57 20.325 3.618 2.807 1.00 0.62 S ATOM 897 CE MET A 57 20.422 5.325 2.216 1.00 0.82 C ATOM 0 H MET A 57 16.362 2.195 1.632 1.00 0.36 H new ATOM 0 HA MET A 57 17.706 0.158 3.213 1.00 0.42 H new ATOM 0 HB2 MET A 57 19.657 1.132 2.136 1.00 0.47 H new ATOM 0 HB3 MET A 57 18.359 1.219 0.961 1.00 0.47 H new ATOM 0 HG2 MET A 57 18.991 3.432 0.804 1.00 0.49 H new ATOM 0 HG3 MET A 57 17.983 3.624 2.224 1.00 0.49 H new ATOM 0 HE1 MET A 57 21.265 5.827 2.691 1.00 0.82 H new ATOM 0 HE2 MET A 57 20.560 5.328 1.135 1.00 0.82 H new ATOM 0 HE3 MET A 57 19.500 5.849 2.466 1.00 0.82 H new ATOM 907 N GLN A 58 17.522 3.140 4.533 1.00 0.43 N ATOM 908 CA GLN A 58 17.769 3.862 5.820 1.00 0.48 C ATOM 909 C GLN A 58 16.640 3.559 6.824 1.00 0.47 C ATOM 910 O GLN A 58 16.706 3.945 7.976 1.00 0.54 O ATOM 911 CB GLN A 58 17.796 5.354 5.454 1.00 0.53 C ATOM 912 CG GLN A 58 16.379 5.847 5.129 1.00 0.50 C ATOM 913 CD GLN A 58 16.417 7.342 4.796 1.00 0.63 C ATOM 914 OE1 GLN A 58 15.720 8.178 5.518 1.00 0.91 O flip ATOM 915 NE2 GLN A 58 17.087 7.754 3.869 1.00 1.08 N flip ATOM 0 H GLN A 58 16.972 3.657 3.847 1.00 0.43 H new ATOM 0 HA GLN A 58 18.701 3.553 6.293 1.00 0.48 H new ATOM 0 HB2 GLN A 58 18.209 5.931 6.281 1.00 0.53 H new ATOM 0 HB3 GLN A 58 18.450 5.514 4.597 1.00 0.53 H new ATOM 0 HG2 GLN A 58 15.973 5.287 4.287 1.00 0.50 H new ATOM 0 HG3 GLN A 58 15.718 5.670 5.978 1.00 0.50 H new ATOM 0 HE21 GLN A 58 17.632 7.102 3.304 1.00 1.08 H new ATOM 0 HE22 GLN A 58 17.104 8.751 3.656 1.00 1.08 H new ATOM 924 N ALA A 59 15.609 2.863 6.392 1.00 0.42 N ATOM 925 CA ALA A 59 14.479 2.521 7.303 1.00 0.46 C ATOM 926 C ALA A 59 14.599 1.059 7.745 1.00 0.47 C ATOM 927 O ALA A 59 14.699 0.768 8.920 1.00 0.54 O ATOM 928 CB ALA A 59 13.222 2.715 6.450 1.00 0.46 C ATOM 0 H ALA A 59 15.508 2.517 5.438 1.00 0.42 H new ATOM 0 HA ALA A 59 14.463 3.134 8.204 1.00 0.46 H new ATOM 0 HB1 ALA A 59 12.339 2.484 7.046 1.00 0.46 H new ATOM 0 HB2 ALA A 59 13.169 3.749 6.110 1.00 0.46 H new ATOM 0 HB3 ALA A 59 13.262 2.051 5.587 1.00 0.46 H new ATOM 934 N ARG A 60 14.603 0.152 6.789 1.00 0.46 N ATOM 935 CA ARG A 60 14.727 -1.312 7.086 1.00 0.54 C ATOM 936 C ARG A 60 13.634 -1.780 8.065 1.00 0.59 C ATOM 937 O ARG A 60 13.707 -1.551 9.258 1.00 0.69 O ATOM 938 CB ARG A 60 16.133 -1.487 7.680 1.00 0.61 C ATOM 939 CG ARG A 60 16.221 -2.824 8.432 1.00 0.78 C ATOM 940 CD ARG A 60 17.682 -3.139 8.775 1.00 1.19 C ATOM 941 NE ARG A 60 17.796 -2.913 10.244 1.00 1.87 N ATOM 942 CZ ARG A 60 18.600 -1.990 10.705 1.00 2.72 C ATOM 943 NH1 ARG A 60 18.181 -0.755 10.810 1.00 3.24 N ATOM 944 NH2 ARG A 60 19.819 -2.301 11.059 1.00 3.42 N ATOM 0 H ARG A 60 14.524 0.373 5.796 1.00 0.46 H new ATOM 0 HA ARG A 60 14.594 -1.919 6.191 1.00 0.54 H new ATOM 0 HB2 ARG A 60 16.879 -1.457 6.886 1.00 0.61 H new ATOM 0 HB3 ARG A 60 16.356 -0.663 8.358 1.00 0.61 H new ATOM 0 HG2 ARG A 60 15.627 -2.777 9.345 1.00 0.78 H new ATOM 0 HG3 ARG A 60 15.802 -3.623 7.820 1.00 0.78 H new ATOM 0 HD2 ARG A 60 17.935 -4.167 8.514 1.00 1.19 H new ATOM 0 HD3 ARG A 60 18.364 -2.493 8.223 1.00 1.19 H new ATOM 0 HE ARG A 60 17.246 -3.479 10.891 1.00 1.87 H new ATOM 0 HH11 ARG A 60 17.229 -0.514 10.533 1.00 3.24 H new ATOM 0 HH12 ARG A 60 18.806 -0.033 11.169 1.00 3.24 H new ATOM 0 HH21 ARG A 60 20.144 -3.264 10.976 1.00 3.42 H new ATOM 0 HH22 ARG A 60 20.445 -1.581 11.418 1.00 3.42 H new ATOM 958 N GLU A 61 12.630 -2.452 7.561 1.00 0.64 N ATOM 959 CA GLU A 61 11.537 -2.959 8.446 1.00 0.75 C ATOM 960 C GLU A 61 11.507 -4.493 8.403 1.00 0.83 C ATOM 961 O GLU A 61 12.220 -5.112 7.635 1.00 0.92 O ATOM 962 CB GLU A 61 10.244 -2.375 7.867 1.00 0.76 C ATOM 963 CG GLU A 61 9.914 -1.052 8.567 1.00 0.82 C ATOM 964 CD GLU A 61 10.803 0.066 8.012 1.00 0.66 C ATOM 965 OE1 GLU A 61 10.722 0.331 6.824 1.00 0.86 O ATOM 966 OE2 GLU A 61 11.551 0.639 8.787 1.00 0.89 O ATOM 0 H GLU A 61 12.520 -2.672 6.571 1.00 0.64 H new ATOM 0 HA GLU A 61 11.675 -2.668 9.487 1.00 0.75 H new ATOM 0 HB2 GLU A 61 10.356 -2.212 6.795 1.00 0.76 H new ATOM 0 HB3 GLU A 61 9.424 -3.081 7.998 1.00 0.76 H new ATOM 0 HG2 GLU A 61 8.864 -0.802 8.416 1.00 0.82 H new ATOM 0 HG3 GLU A 61 10.067 -1.151 9.642 1.00 0.82 H new ATOM 973 N LEU A 62 10.690 -5.111 9.220 1.00 0.91 N ATOM 974 CA LEU A 62 10.621 -6.605 9.220 1.00 1.00 C ATOM 975 C LEU A 62 9.729 -7.090 8.070 1.00 0.94 C ATOM 976 O LEU A 62 8.515 -7.055 8.158 1.00 0.95 O ATOM 977 CB LEU A 62 10.021 -6.985 10.579 1.00 1.17 C ATOM 978 CG LEU A 62 10.299 -8.464 10.870 1.00 1.31 C ATOM 979 CD1 LEU A 62 10.685 -8.636 12.341 1.00 1.56 C ATOM 980 CD2 LEU A 62 9.043 -9.290 10.573 1.00 1.31 C ATOM 0 H LEU A 62 10.070 -4.648 9.884 1.00 0.91 H new ATOM 0 HA LEU A 62 11.599 -7.064 9.076 1.00 1.00 H new ATOM 0 HB2 LEU A 62 10.451 -6.363 11.364 1.00 1.17 H new ATOM 0 HB3 LEU A 62 8.947 -6.800 10.578 1.00 1.17 H new ATOM 0 HG LEU A 62 11.118 -8.807 10.238 1.00 1.31 H new ATOM 0 HD11 LEU A 62 10.882 -9.689 12.545 1.00 1.56 H new ATOM 0 HD12 LEU A 62 11.580 -8.052 12.553 1.00 1.56 H new ATOM 0 HD13 LEU A 62 9.868 -8.291 12.974 1.00 1.56 H new ATOM 0 HD21 LEU A 62 9.242 -10.342 10.780 1.00 1.31 H new ATOM 0 HD22 LEU A 62 8.223 -8.945 11.203 1.00 1.31 H new ATOM 0 HD23 LEU A 62 8.770 -9.172 9.524 1.00 1.31 H new ATOM 992 N GLU A 63 10.333 -7.541 6.992 1.00 0.95 N ATOM 993 CA GLU A 63 9.550 -8.037 5.814 1.00 0.95 C ATOM 994 C GLU A 63 8.536 -6.979 5.349 1.00 0.85 C ATOM 995 O GLU A 63 7.341 -7.212 5.330 1.00 0.93 O ATOM 996 CB GLU A 63 8.840 -9.307 6.306 1.00 1.08 C ATOM 997 CG GLU A 63 9.730 -10.529 6.043 1.00 1.24 C ATOM 998 CD GLU A 63 10.841 -10.593 7.096 1.00 1.35 C ATOM 999 OE1 GLU A 63 10.582 -11.106 8.173 1.00 1.54 O ATOM 1000 OE2 GLU A 63 11.932 -10.130 6.807 1.00 1.38 O ATOM 0 H GLU A 63 11.346 -7.586 6.879 1.00 0.95 H new ATOM 0 HA GLU A 63 10.190 -8.242 4.956 1.00 0.95 H new ATOM 0 HB2 GLU A 63 8.623 -9.225 7.371 1.00 1.08 H new ATOM 0 HB3 GLU A 63 7.885 -9.423 5.794 1.00 1.08 H new ATOM 0 HG2 GLU A 63 9.132 -11.440 6.075 1.00 1.24 H new ATOM 0 HG3 GLU A 63 10.164 -10.467 5.045 1.00 1.24 H new ATOM 1007 N LEU A 64 9.010 -5.815 4.973 1.00 0.75 N ATOM 1008 CA LEU A 64 8.084 -4.736 4.505 1.00 0.67 C ATOM 1009 C LEU A 64 7.603 -5.039 3.080 1.00 0.68 C ATOM 1010 O LEU A 64 6.424 -5.212 2.841 1.00 0.75 O ATOM 1011 CB LEU A 64 8.918 -3.449 4.542 1.00 0.61 C ATOM 1012 CG LEU A 64 8.042 -2.251 4.156 1.00 0.63 C ATOM 1013 CD1 LEU A 64 8.389 -1.055 5.046 1.00 0.75 C ATOM 1014 CD2 LEU A 64 8.294 -1.884 2.689 1.00 0.68 C ATOM 0 H LEU A 64 9.999 -5.566 4.970 1.00 0.75 H new ATOM 0 HA LEU A 64 7.193 -4.653 5.127 1.00 0.67 H new ATOM 0 HB2 LEU A 64 9.332 -3.302 5.539 1.00 0.61 H new ATOM 0 HB3 LEU A 64 9.761 -3.531 3.856 1.00 0.61 H new ATOM 0 HG LEU A 64 6.992 -2.512 4.291 1.00 0.63 H new ATOM 0 HD11 LEU A 64 7.766 -0.204 4.771 1.00 0.75 H new ATOM 0 HD12 LEU A 64 8.210 -1.314 6.090 1.00 0.75 H new ATOM 0 HD13 LEU A 64 9.439 -0.794 4.912 1.00 0.75 H new ATOM 0 HD21 LEU A 64 7.671 -1.032 2.415 1.00 0.68 H new ATOM 0 HD22 LEU A 64 9.344 -1.624 2.554 1.00 0.68 H new ATOM 0 HD23 LEU A 64 8.046 -2.734 2.054 1.00 0.68 H new ATOM 1026 N GLU A 65 8.512 -5.108 2.138 1.00 0.69 N ATOM 1027 CA GLU A 65 8.120 -5.404 0.726 1.00 0.75 C ATOM 1028 C GLU A 65 8.696 -6.758 0.270 1.00 1.00 C ATOM 1029 O GLU A 65 8.642 -7.096 -0.898 1.00 1.36 O ATOM 1030 CB GLU A 65 8.721 -4.259 -0.091 1.00 0.63 C ATOM 1031 CG GLU A 65 7.894 -4.042 -1.360 1.00 0.59 C ATOM 1032 CD GLU A 65 8.136 -2.630 -1.898 1.00 0.47 C ATOM 1033 OE1 GLU A 65 7.458 -1.721 -1.449 1.00 0.66 O ATOM 1034 OE2 GLU A 65 8.993 -2.480 -2.754 1.00 0.62 O ATOM 0 H GLU A 65 9.512 -4.971 2.288 1.00 0.69 H new ATOM 0 HA GLU A 65 7.039 -5.475 0.606 1.00 0.75 H new ATOM 0 HB2 GLU A 65 8.739 -3.346 0.504 1.00 0.63 H new ATOM 0 HB3 GLU A 65 9.754 -4.489 -0.353 1.00 0.63 H new ATOM 0 HG2 GLU A 65 8.166 -4.781 -2.114 1.00 0.59 H new ATOM 0 HG3 GLU A 65 6.835 -4.183 -1.144 1.00 0.59 H new ATOM 1041 N HIS A 66 9.243 -7.533 1.179 1.00 1.12 N ATOM 1042 CA HIS A 66 9.820 -8.862 0.798 1.00 1.40 C ATOM 1043 C HIS A 66 9.485 -9.927 1.856 1.00 1.52 C ATOM 1044 O HIS A 66 9.626 -11.100 1.549 1.00 1.79 O ATOM 1045 CB HIS A 66 11.337 -8.635 0.712 1.00 1.46 C ATOM 1046 CG HIS A 66 11.886 -8.250 2.064 1.00 1.38 C ATOM 1047 ND1 HIS A 66 12.409 -9.184 2.944 1.00 1.56 N ATOM 1048 CD2 HIS A 66 11.999 -7.036 2.696 1.00 1.27 C ATOM 1049 CE1 HIS A 66 12.809 -8.525 4.045 1.00 1.52 C ATOM 1050 NE2 HIS A 66 12.582 -7.212 3.947 1.00 1.37 N ATOM 1051 OXT HIS A 66 9.095 -9.555 2.952 1.00 1.41 O ATOM 0 H HIS A 66 9.314 -7.301 2.170 1.00 1.12 H new ATOM 0 HA HIS A 66 9.411 -9.226 -0.144 1.00 1.40 H new ATOM 0 HB2 HIS A 66 11.828 -9.541 0.357 1.00 1.46 H new ATOM 0 HB3 HIS A 66 11.554 -7.850 -0.013 1.00 1.46 H new ATOM 0 HD2 HIS A 66 11.683 -6.089 2.285 1.00 1.27 H new ATOM 0 HE1 HIS A 66 13.259 -8.999 4.905 1.00 1.52 H new ATOM 0 HE2 HIS A 66 12.791 -6.493 4.640 1.00 1.37 H new TER 1059 HIS A 66